A0A3Q0KLJ7_SCHMA Loading...

isoleucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KLJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,029 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
1M39.3Very low37Very low204 Ų204143.4 Ų143.4100%1.00568%0.677SS**  0-42.50-87.5175.466.700114.3I3 H4 K5M1-I3 PolarHBondContact O-N 2.77Å; M1-H4 PolarHBondContact O-N 3.23Å; M1-K5 PolarHBondContact O-N 3.02Å
2L33.6Very low36.5Very low133 Ų133138.3 Ų138.370%0.69667%0.667SS**Hα-helixtrans-63.9-39.5-179.5-148.177.8000113.4H4 K5 I6L2-H4 VanDerWaalsContact C-N 3.31Å; L2-H4 PolarHBondContact O-N 2.97Å; L2-K5 PolarHBondContact O-N 2.87Å; L2-I6 HydrophobicContact CD2-CD1 4.49Å; L2-I6 HydrophobicContact CG-CD1 4.36Å; L2-I6 WeakPolarHBondContact O-CG1 3.46Å; L2-I6 PolarHBondContact O-N 3.09Å
3I44.8Very low35.7Very low128 Ų128132.2 Ų132.266%0.65665%0.653SS**Hα-helixtrans-64-33.4177.8-63.8172000112.2M1 I6 L7M1-I3 PolarHBondContact O-N 2.77Å; I3-I6 PolarHBondContact O-N 3.21Å; I3-L7 HydrophobicContact CG2-CD1 4.06Å; I3-L7 WeakPolarHBondContact O-CB 3.22Å; I3-L7 WeakPolarHBondContact O-CG 3.29Å; I3-L7 PolarHBondContact O-N 3.06Å
4H41.3Very low35.4Very low143 Ų143135.9 Ų135.966%0.66266%0.663SS**Hα-helixtrans-76-29.6177.3-13877.4000112.3M1 L2 K8M1-H4 PolarHBondContact O-N 3.23Å; L2-H4 VanDerWaalsContact C-N 3.31Å; L2-H4 PolarHBondContact O-N 2.97Å; H4-K8 PolarHBondContact O-N 2.86Å; H4-K8 VanDerWaalsContact O-N 3.16Å
5K39.4Very low35.2Very low150 Ų150133.1 Ų133.165%0.65266%0.662SS**Hα-helixtrans-71-38.7168.7-83.3-174.8174.6-178.30111.7M1 L2 K8 F9M1-K5 PolarHBondContact O-N 3.02Å; L2-K5 PolarHBondContact O-N 2.87Å; K5-K8 PolarHBondContact O-N 3.36Å; K5-F9 PolarHBondContact O-N 3.31Å
6I40.1Very low34.9Very low82 Ų82135.3 Ų135.342%0.42167%0.667SS.*Hα-helixtrans-67.5-41176.4-68.1166.9000110.8L2 I3 F9 F10L2-I6 HydrophobicContact CD2-CD1 4.49Å; L2-I6 HydrophobicContact CG-CD1 4.36Å; L2-I6 WeakPolarHBondContact O-CG1 3.46Å; L2-I6 PolarHBondContact O-N 3.09Å; I3-I6 PolarHBondContact O-N 3.21Å; I6-F9 CarbonylContact O-C 3.41Å; I6-F9 WeakPolarHBondContact O-CA 3.28Å; I6-F9 WeakPolarHBondContact O-CB 3.4Å; I6-F9 PolarHBondContact O-N 3.11Å; I6-F9 VanDerWaalsContact O-N 3.12Å; I6-F10 HydrophobicContact CG2-CD2 3.66Å; I6-F10 HydrophobicContact CG2-CE2 3.8Å; I6-F10 WeakPolarHBondContact O-CD2 3.47Å; I6-F10 PolarHBondContact O-N 3.32Å
7L36.9Very low34.8Very low104 Ų104136.8 Ų136.855%0.54568%0.676SS.*Hα-helixtrans-68.2-33.9175.4-76.9164.3000113.4I3 F9 F10 H11I3-L7 HydrophobicContact CG2-CD1 4.06Å; I3-L7 WeakPolarHBondContact O-CB 3.22Å; I3-L7 WeakPolarHBondContact O-CG 3.29Å; I3-L7 PolarHBondContact O-N 3.06Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F10 PolarHBondContact O-N 3.4Å; L7-H11 PolarHBondContact O-N 3.29Å
8K37.1Very low34.9Very low164 Ų164141.4 Ų141.471%0.71368%0.684SS**Hα-helixtrans-65.8-35168.3-96.2-177.4174.5179.60112.2H4 K5 C12H4-K8 PolarHBondContact O-N 2.86Å; H4-K8 VanDerWaalsContact O-N 3.16Å; K5-K8 PolarHBondContact O-N 3.36Å; K8-C12 WeakPolarHBondContact O-CB 3.26Å; K8-C12 PolarHBondContact O-N 3.36Å; K8-C12 VanDerWaalsContact O-N 3.11Å
9F32.8Very low35.1Very low164 Ų164143.2 Ų143.272%0.71969%0.692SS**Hα-helixtrans-68.7-37.4172.1-114.7-92.1000112.3K5 I6 L7 C12 A13K5-F9 PolarHBondContact O-N 3.31Å; I6-F9 CarbonylContact O-C 3.41Å; I6-F9 WeakPolarHBondContact O-CA 3.28Å; I6-F9 WeakPolarHBondContact O-CB 3.4Å; I6-F9 PolarHBondContact O-N 3.11Å; I6-F9 VanDerWaalsContact O-N 3.12Å; L7-F9 VanDerWaalsContact C-N 3.32Å; F9-C12 CarbonylContact O-C 3.51Å; F9-C12 PolarHBondContact O-N 3.23Å; F9-A13 VanDerWaalsContact O-CB 3.26Å; F9-A13 WeakPolarHBondContact O-CB 3.38Å; F9-A13 PolarHBondContact O-N 2.9Å
10F30.6Very low35.8Very low142 Ų142145.4 Ų145.462%0.62370%0.698SS**Hα-helixtrans-77.1-29.2178.1-90.3-81.8000114I6 L7 C12 A13 K14I6-F10 HydrophobicContact CG2-CD2 3.66Å; I6-F10 HydrophobicContact CG2-CE2 3.8Å; I6-F10 WeakPolarHBondContact O-CD2 3.47Å; I6-F10 PolarHBondContact O-N 3.32Å; L7-F10 PolarHBondContact O-N 3.4Å; F10-C12 VanDerWaalsContact C-N 3.34Å; F10-A13 PolarHBondContact O-N 2.95Å; F10-K14 PolarHBondContact O-N 3.41Å
11H31.6Very low37Very low163 Ų163139.9 Ų139.976%0.75567%0.674SS**Hα-helixtrans-74.2-27.4168.8-117.613.8000112.5L7L7-H11 PolarHBondContact O-N 3.29Å
12C30.6Very low38.7Very low83 Ų83136.3 Ų136.356%0.56166%0.664SS**Hα-helixtrans-75.6-29.5166.8-157.10000112.1K8 F9 F10 K14 C15K8-C12 WeakPolarHBondContact O-CB 3.26Å; K8-C12 PolarHBondContact O-N 3.36Å; K8-C12 VanDerWaalsContact O-N 3.11Å; F9-C12 CarbonylContact O-C 3.51Å; F9-C12 PolarHBondContact O-N 3.23Å; F10-C12 VanDerWaalsContact C-N 3.34Å; C12-K14 VanDerWaalsContact C-N 3.31Å; C12-K14 PolarHBondContact O-N 3.11Å; C12-C15 WeakPolarHBondContact O-CA 3.27Å; C12-C15 WeakPolarHBondContact O-CB 3.49Å; C12-C15 PolarHBondContact O-N 2.83Å
13A26.6Very low41.1Very low58 Ų58132.6 Ų132.648%0.47964%0.641SS.*Hα-helixtrans-77.8-10.218000000114.5F9 F10 C15F9-A13 VanDerWaalsContact O-CB 3.26Å; F9-A13 WeakPolarHBondContact O-CB 3.38Å; F9-A13 PolarHBondContact O-N 2.9Å; F10-A13 PolarHBondContact O-N 2.95Å; A13-C15 VanDerWaalsContact C-N 3.27Å; A13-C15 CarbonylContact O-C 3.51Å
14K31.4Very low42.8Very low184 Ų184128.9 Ų128.980%0.862%0.624SS**THydrogen-bonded Turntrans-80.2-5.3160.2-91-173.5177.5-179.50113.3F10 C12 F16F10-K14 PolarHBondContact O-N 3.41Å; C12-K14 VanDerWaalsContact C-N 3.31Å; C12-K14 PolarHBondContact O-N 3.11Å; K14-F16 PolarHBondContact O-N 2.86Å
15C32.4Very low44.8Very low95 Ų95128.3 Ų128.364%0.64263%0.631SS**SBendtrans-69.579.6141.6-60.60000106.4C12 A13 I17C12-C15 WeakPolarHBondContact O-CA 3.27Å; C12-C15 WeakPolarHBondContact O-CB 3.49Å; C12-C15 PolarHBondContact O-N 2.83Å; A13-C15 VanDerWaalsContact C-N 3.27Å; A13-C15 CarbonylContact O-C 3.51Å; C15-I17 PolarHBondContact O-N 3.16Å
16F29.4Very low47Very low168 Ų168123.4 Ų123.474%0.73761%0.614SS**  trans-38.4139.4145.5-110.3-101.1000106.8K14 R18K14-F16 PolarHBondContact O-N 2.86Å; F16-R18 PolarHBondContact O-N 2.57Å
17I33.2Very low49.4Very low160 Ų160121.1 Ų121.182%0.82160%0.602SS**  trans-57.177155.4-59.5168.2000105.4C15 Q19C15-I17 PolarHBondContact O-N 3.16Å; I17-Q19 PolarHBondContact O-N 2.95Å
18R37.8Very low52.1Low220 Ų220117 Ų11783%0.8358%0.581SS**  trans-66.3100.6155.6-79.9-174.3175.1-174.2-0.7100.6F16 K20F16-R18 PolarHBondContact O-N 2.57Å; R18-K20 PolarHBondContact O-N 2.95Å
19Q37.5Very low54.7Low176 Ų176112.5 Ų112.582%0.82256%0.564SS**  trans-37.4113.1158.8-81.3177-2100105.5I17 S21I17-Q19 PolarHBondContact O-N 2.95Å; Q19-S21 PolarHBondContact O-N 2.89Å
20K49.2Very low57.6Low187 Ų187106 Ų10681%0.81354%0.538SS*.  trans-51.7116177.2-90.4-179.5174.81770104.4R18 V22R18-K20 PolarHBondContact O-N 2.95Å; K20-V22 PolarHBondContact O-N 3.42Å
21S61.9Low60.5Low30 Ų30106.4 Ų106.421%0.2154%0.536CS..  trans-48.9132.5179.6162.10000107.2Q19 Y23 T24 Q999Q19-S21 PolarHBondContact O-N 2.89Å; S21-Y23 PolarHBondContact O-N 2.85Å; S21-Y23 PolarHBondContact OG-N 3.01Å; S21-T24 PolarHBondContact N-OG1 2.92Å; S21-T24 WeakPolarHBondContact O-CB 3.19Å; S21-T24 PolarHBondContact O-N 3.33Å; S21-T24 PolarHBondContact O-OG1 3.39Å; S21-Q999 PolarHBondContact OG-O 3.01Å
22V75.2Confident63.4Low129 Ų129102.9 Ų102.978%0.78252%0.518SS*.THydrogen-bonded Turntrans-52.9-22.8-179.8-176.90000110.8K20K20-V22 PolarHBondContact O-N 3.42Å
23Y82.7Confident65.9Low54 Ų54104.1 Ų104.121%0.21252%0.516CS..THydrogen-bonded Turntrans-90.30.9-179.8-52.5-72.8000115.3S21 T25 T26 Q999 R1000 T1012 L1013 L1021S21-Y23 PolarHBondContact O-N 2.85Å; S21-Y23 PolarHBondContact OG-N 3.01Å; Y23-T25 PolarHBondContact O-N 2.79Å; Y23-T25 VanDerWaalsContact O-N 3.13Å; Y23-T26 WeakPolarHBondContact O-CB 3.39Å; Y23-T26 PolarHBondContact O-N 3.13Å; Y23-T26 PolarHBondContact O-OG1 3.31Å; Y23-Q999 HydrophobicContact CD2-CB 3.8Å; Y23-Q999 HydrophobicContact CE2-CB 3.56Å; Y23-R1000 HydrophobicContact CD2-CB 4.37Å; Y23-R1000 HydrophobicContact CG-CB 4.15Å; Y23-T1012 PolarHBondContact OH-OG1 2.66Å; Y23-L1013 HydrophobicContact CD1-CD2 4.42Å; Y23-L1013 HydrophobicContact CD2-CD2 4.19Å; Y23-L1013 HydrophobicContact CE1-CD1 3.89Å; Y23-L1013 HydrophobicContact CE1-CD2 4.09Å; Y23-L1013 HydrophobicContact CE1-CG 4.37Å; Y23-L1013 HydrophobicContact CE2-CD2 3.85Å; Y23-L1013 HydrophobicContact CG-CD2 4.46Å; Y23-L1021 HydrophobicContact CD1-CD1 4.2Å; Y23-L1021 HydrophobicContact CE1-CD1 4.26Å
24T80.2Confident68.8Low50 Ų50102 Ų10231%0.30750%0.496SS..G310 helixtrans-57.8-33.3-173.5-53.40000112.9S21 T26 N29S21-T24 PolarHBondContact N-OG1 2.92Å; S21-T24 WeakPolarHBondContact O-CB 3.19Å; S21-T24 PolarHBondContact O-N 3.33Å; S21-T24 PolarHBondContact O-OG1 3.39Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 2.72Å; T24-N29 PolarHBondContact O-ND2 2.88Å
25T83.6Confident71.4Confident132 Ų13296.8 Ų96.881%0.8148%0.479SS*.G310 helixtrans-75.2-14.8177.551.10000113.7Y23 L27Y23-T25 PolarHBondContact O-N 2.79Å; Y23-T25 VanDerWaalsContact O-N 3.13Å; T25-L27 VanDerWaalsContact C-N 3.33Å
26T86.9Confident73.8Confident47 Ų4795.1 Ų95.129%0.28846%0.464SS..G310 helixtrans-90.22.5178.275.20000113.2Y23 T24 R1000 L1021Y23-T26 WeakPolarHBondContact O-CB 3.39Å; Y23-T26 PolarHBondContact O-N 3.13Å; Y23-T26 PolarHBondContact O-OG1 3.31Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 2.72Å; T26-R1000 PolarHBondContact O-NH2 2.91Å; T26-R1000 VanDerWaalsContact O-NH2 3.12Å; T26-R1000 PolarHBondContact OG1-NE 3.44Å; T26-R1000 VanDerWaalsContact OG1-NE 3.16Å; T26-L1021 HydrophobicContact CG2-CD2 3.78Å
27L90.7Very high76.2Confident34 Ų3492.5 Ų92.518%0.17845%0.454CS..SBendtrans-94.2142.7-179.6-54.9-175.7000110.3T25 N29 F785 R1000T25-L27 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 2.86Å; L27-F785 HydrophobicContact CD1-CE1 4.16Å; L27-F785 HydrophobicContact CD2-CD1 3.46Å; L27-F785 VanDerWaalsContact CD2-CD1 3.46Å; L27-F785 HydrophobicContact CD2-CE1 3.56Å; L27-F785 HydrophobicContact CG-CE1 4.49Å; L27-R1000 HydrophobicContact CD2-CG 3.92Å
28N92.6Very high78Confident18 Ų1886.2 Ų86.210%0.09642%0.424CS..  trans-77.265.3172.6-59.2-40.3000110.4L783 Y784 N786 R793N28-L783 WeakPolarHBondContact CB-O 3.48Å; N28-Y784 PolarHBondContact N-O 2.97Å; N28-Y784 WeakPolarHBondContact O-CD1 3.43Å; N28-N786 PolarHBondContact ND2-O 2.95Å; N28-R793 PolarHBondContact ND2-NE 3.25Å
29N92Very high79.4Confident69 Ų6982 Ų8237%0.36941%0.411SS..  trans-65.9142.7-178.8-71.8-56.5000111.2T24 L27 Y690T24-N29 PolarHBondContact O-ND2 2.88Å; L27-N29 PolarHBondContact O-N 2.86Å; N29-Y690 WeakPolarHBondContact O-CE1 3.24Å
30P92.8Very high80.4Confident26 Ų2677.4 Ų77.417%0.16940%0.397CS..  trans-59.7142.4176.8-19.429.2000112.6F32 F684 G687 Y784P30-F32 HydrophobicContact CB-CD1 4.31Å; P30-F32 HydrophobicContact CB-CE1 3.59Å; P30-F32 HydrophobicContact CB-CE2 4.34Å; P30-F32 HydrophobicContact CB-CZ 3.63Å; P30-F32 HydrophobicContact CG-CE1 4.44Å; P30-F32 HydrophobicContact CG-CZ 4.18Å; P30-F684 HydrophobicContact CG-CE2 4.42Å; P30-G687 CarbonylContact C-O 3.55Å; P30-G687 VanDerWaalsContact CA-O 3.31Å; P30-G687 WeakPolarHBondContact CA-O 3.44Å; P30-Y784 HydrophobicContact CG-CE1 3.89Å
31R92.9Very high80.6Confident151 Ų15175.5 Ų75.557%0.5739%0.394SS*.  trans-111.3101.2174.8-58.6-174.5-170.61751.3110.3G687 Y690R31-G687 PolarHBondContact N-O 3.36Å; R31-G687 VanDerWaalsContact O-CA 3.25Å; R31-G687 WeakPolarHBondContact O-CA 3.3Å; R31-Y690 HydrophobicContact CB-CD1 4.05Å; R31-Y690 HydrophobicContact CB-CG 4.11Å; R31-Y690 HydrophobicContact CG-CD1 3.7Å; R31-Y690 HydrophobicContact CG-CD2 4.3Å; R31-Y690 HydrophobicContact CG-CE1 4.1Å; R31-Y690 HydrophobicContact CG-CG 3.82Å
32F91.1Very high80.6Confident89 Ų8978 Ų7839%0.3940%0.402SS..  trans-83.7121.4-172.6-54.8-59000112.7P30 R683P30-F32 HydrophobicContact CB-CD1 4.31Å; P30-F32 HydrophobicContact CB-CE1 3.59Å; P30-F32 HydrophobicContact CB-CE2 4.34Å; P30-F32 HydrophobicContact CB-CZ 3.63Å; P30-F32 HydrophobicContact CG-CE1 4.44Å; P30-F32 HydrophobicContact CG-CZ 4.18Å; F32-R683 HydrophobicContact CB-CG 4.2Å; F32-R683 HydrophobicContact CD1-CG 3.77Å; F32-R683 WeakPolarHBondContact CD1-O 3.4Å; F32-R683 HydrophobicContact CE1-CG 4.48Å; F32-R683 HydrophobicContact CG-CG 4.2Å
33Q84.3Confident80.4Confident109 Ų10973.2 Ų73.251%0.50938%0.375SS..SBendtrans-85.3-19.5179.6-63.6-69.8-11.200113.4V825 L829Q33-V825 HydrophobicContact CB-CB 4.48Å; Q33-V825 HydrophobicContact CB-CG1 3.74Å; Q33-V825 HydrophobicContact CB-CG2 3.98Å; Q33-V825 HydrophobicContact CG-CG1 3.97Å; Q33-L829 HydrophobicContact CG-CD2 4.43Å
34F86.6Confident80.1Confident15 Ų1575.1 Ų75.17%0.06639%0.392CS..SBendtrans-140.4163.3178.565.3-82.3000112.1R679 L682 R683 T686 E821 V822 V825F34-R679 HydrophobicContact CD2-CG 4.38Å; F34-R679 HydrophobicContact CE2-CG 3.87Å; F34-L682 HydrophobicContact CZ-CB 4.14Å; F34-R683 HydrophobicContact CD2-CB 4.3Å; F34-R683 HydrophobicContact CD2-CG 4.36Å; F34-R683 HydrophobicContact CE1-CB 4.2Å; F34-R683 HydrophobicContact CE1-CG 4.46Å; F34-R683 HydrophobicContact CE2-CB 3.66Å; F34-R683 HydrophobicContact CE2-CG 4.2Å; F34-R683 HydrophobicContact CZ-CB 3.63Å; F34-R683 HydrophobicContact CZ-CG 4.29Å; F34-R683 VanDerWaalsContact CZ-N 3.31Å; F34-R683 WeakPolarHBondContact O-CD 3.45Å; F34-R683 WeakPolarHBondContact O-CG 3.41Å; F34-T686 WeakPolarHBondContact CE1-OG1 3.44Å; F34-E821 WeakPolarHBondContact CB-OE1 3.29Å; F34-V822 HydrophobicContact CE1-CG2 4.48Å; F34-V822 HydrophobicContact CZ-CG2 4.07Å; F34-V825 HydrophobicContact CD1-CG1 4.38Å; F34-V825 HydrophobicContact CD1-CG2 3.69Å; F34-V825 HydrophobicContact CE1-CG1 4.42Å; F34-V825 HydrophobicContact CE1-CG2 4.23Å
35T86.5Confident80.1Confident73 Ų7375.8 Ų75.845%0.44840%0.402SS..  trans-94165.1-176.558.40000112.3H37 R679T35-H37 PolarHBondContact O-N 3.39Å; T35-H37 PolarHBondContact OG1-O 3.41Å; T35-R679 PolarHBondContact O-NE 3.24Å; T35-R679 PolarHBondContact O-NH2 3.14Å
36I82.8Confident80.2Confident60 Ų6070.4 Ų70.431%0.30837%0.368SS..SBendtrans-69.2-21.8176.6-58172.5000112R679 N680I36-R679 VanDerWaalsContact O-CD 3.27Å; I36-R679 WeakPolarHBondContact O-CD 3.47Å; I36-N680 WeakPolarHBondContact CD1-OD1 3.4Å; I36-N680 HydrophobicContact CG1-CB 4.38Å; I36-N680 HydrophobicContact CG2-CB 4.4Å
37H79.6Confident80.3Confident114 Ų11468.7 Ų68.753%0.52836%0.358SS..SBendtrans-100.9136180-59.2-60.2000110.2T35T35-H37 PolarHBondContact O-N 3.39Å; T35-H37 PolarHBondContact OG1-O 3.41Å
38S71.2Confident80.2Confident28 Ų2871.3 Ų71.320%0.19638%0.375CS..PPolyproline II helixtrans-64.9146.4175.855.40000111.5C644S38-C644 WeakPolarHBondContact OG-CB 3.17Å
39K67.3Low80.1Confident131 Ų13174.2 Ų74.257%0.5739%0.387SS*.PPolyproline II helixtrans-99139.6169.9-68.7-179.1-177.1172.30110.1I41K39-I41 VanDerWaalsContact C-N 3.35Å; K39-I41 PolarHBondContact O-N 3.01Å
40P58.4Low80.2Confident79 Ų7971 Ų7151%0.51337%0.37SS..SBendtrans-71.1-22.5-178.1-15.627.1000115.3
41I53.4Low80.1Confident148 Ų14871.4 Ų71.476%0.75937%0.37SS*.THydrogen-bonded Turntrans-85.4-18.6-157.2-63.2170.6000113.7K39 S43K39-I41 VanDerWaalsContact C-N 3.35Å; K39-I41 PolarHBondContact O-N 3.01Å; I41-S43 PolarHBondContact O-N 3.13Å
42E61.3Low80Confident82 Ų8269.7 Ų69.738%0.38337%0.368SS..THydrogen-bonded Turntrans-82.6-9.7-169-69.8172.9-162.900114.4V44 I46E42-V44 PolarHBondContact O-N 3.45Å; E42-I46 HydrophobicContact CB-CD1 4.34Å; E42-I46 WeakPolarHBondContact O-CD1 3.27Å; E42-I46 VanDerWaalsContact O-CG1 3.3Å; E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 2.97Å
43S72.1Confident80Confident29 Ų2966.1 Ų66.120%0.20335%0.353CS..Hα-helixtrans-67.9-38.9-171.758.20000114.5I41 I46 N47I41-S43 PolarHBondContact O-N 3.13Å; S43-I46 PolarHBondContact O-N 3.33Å; S43-N47 WeakPolarHBondContact O-CB 3.25Å; S43-N47 PolarHBondContact O-N 3.38Å; S43-N47 PolarHBondContact O-ND2 2.9Å; S43-N47 PolarHBondContact O-OD1 3.49Å
44V76.1Confident80.4Confident93 Ų9361 Ų6156%0.56433%0.328SS*.Hα-helixtrans-66.1-44.2-174.1178.60000112E42 I46 N47 T48E42-V44 PolarHBondContact O-N 3.45Å; V44-I46 VanDerWaalsContact C-N 3.33Å; V44-I46 PolarHBondContact O-N 3.25Å; V44-N47 PolarHBondContact O-N 3.5Å; V44-T48 PolarHBondContact O-N 2.64Å; V44-T48 PolarHBondContact O-OG1 2.84Å
45A80.7Confident80.6Confident64 Ų6462 Ų6253%0.52934%0.335SS..Hα-helixtrans-64.7-41.3178.700000111T48 K49A45-T48 PolarHBondContact O-N 3.43Å; A45-K49 WeakPolarHBondContact O-CG 3.31Å; A45-K49 PolarHBondContact O-N 3.46Å
46I85.3Confident80.7Confident19 Ų1962.6 Ų62.610%0.09733%0.332CS..Hα-helixtrans-63.9-47.3176.6-67.7170.7000110.8E42 S43 V44 T48 K49 W50 Y817 E820E42-I46 HydrophobicContact CB-CD1 4.34Å; E42-I46 WeakPolarHBondContact O-CD1 3.27Å; E42-I46 VanDerWaalsContact O-CG1 3.3Å; E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 2.97Å; S43-I46 PolarHBondContact O-N 3.33Å; V44-I46 VanDerWaalsContact C-N 3.33Å; V44-I46 PolarHBondContact O-N 3.25Å; I46-T48 VanDerWaalsContact C-N 3.28Å; I46-T48 PolarHBondContact O-N 3.05Å; I46-K49 PolarHBondContact O-N 3.28Å; I46-K49 VanDerWaalsContact O-N 3.1Å; I46-W50 HydrophobicContact CG2-CD2 3.72Å; I46-W50 HydrophobicContact CG2-CE3 3.87Å; I46-W50 HydrophobicContact CG2-CH2 3.27Å; I46-W50 HydrophobicContact CG2-CZ2 3.09Å; I46-W50 HydrophobicContact CG2-CZ3 3.67Å; I46-W50 PolarHBondContact O-N 3.45Å; I46-Y817 HydrophobicContact CB-CD1 4.42Å; I46-Y817 HydrophobicContact CB-CE1 4.41Å; I46-Y817 HydrophobicContact CD1-CD1 4.18Å; I46-Y817 HydrophobicContact CG2-CD1 4.12Å; I46-Y817 HydrophobicContact CG2-CE1 4.21Å; I46-E820 HydrophobicContact CD1-CB 4.27Å; I46-E820 HydrophobicContact CD1-CG 4.21Å; I46-E820 HydrophobicContact CG1-CG 4.17Å; I46-E820 HydrophobicContact CG2-CB 4.38Å; I46-E820 HydrophobicContact CG2-CG 3.96Å
47N88.2Confident81.1Confident12 Ų1260.1 Ų60.16%0.06432%0.32CS..Hα-helixtrans-57.7-41.4178.5-72.3-10.1000112.1S43 V44 K49 W50 N51 Q153 Y817S43-N47 WeakPolarHBondContact O-CB 3.25Å; S43-N47 PolarHBondContact O-N 3.38Å; S43-N47 PolarHBondContact O-ND2 2.9Å; S43-N47 PolarHBondContact O-OD1 3.49Å; V44-N47 PolarHBondContact O-N 3.5Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 3.47Å; N47-W50 PolarHBondContact O-N 3.17Å; N47-W50 VanDerWaalsContact OD1-CZ3 3.25Å; N47-W50 WeakPolarHBondContact OD1-CZ3 3.31Å; N47-N51 WeakPolarHBondContact O-CB 3.15Å; N47-N51 VanDerWaalsContact O-CG 3.22Å; N47-N51 PolarHBondContact O-N 2.82Å; N47-N51 PolarHBondContact O-ND2 3.08Å; N47-Q153 PolarHBondContact ND2-O 3.13Å; N47-Y817 VanDerWaalsContact CG-OH 3.3Å; N47-Y817 PolarHBondContact ND2-OH 2.85Å; N47-Y817 WeakPolarHBondContact OD1-CE1 3.44Å; N47-Y817 PolarHBondContact OD1-OH 3.41Å
48T88.4Confident81.3Confident89 Ų8955.4 Ų55.455%0.54630%0.298SS..Hα-helixtrans-59.4-44177.6-57.90000111.3V44 A45 I46 N51 H52V44-T48 PolarHBondContact O-N 2.64Å; V44-T48 PolarHBondContact O-OG1 2.84Å; A45-T48 PolarHBondContact O-N 3.43Å; I46-T48 VanDerWaalsContact C-N 3.28Å; I46-T48 PolarHBondContact O-N 3.05Å; T48-N51 PolarHBondContact O-N 2.75Å; T48-H52 PolarHBondContact O-N 2.76Å
49K91.5Very high81.8Confident79 Ų7961.6 Ų61.634%0.34332%0.321SS..Hα-helixtrans-67.9-41.4178.7-64.1169.1158.3-159.60112.3A45 I46 N47 N51 H52 F53 T841 T842A45-K49 WeakPolarHBondContact O-CG 3.31Å; A45-K49 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.28Å; I46-K49 VanDerWaalsContact O-N 3.1Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 3.47Å; K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 2.74Å; K49-H52 WeakPolarHBondContact O-CB 3.41Å; K49-H52 PolarHBondContact O-N 3.21Å; K49-F53 PolarHBondContact O-N 2.81Å; K49-T841 WeakPolarHBondContact CD-O 3.35Å; K49-T841 PolarHBondContact NZ-O 2.97Å; K49-T841 VanDerWaalsContact NZ-O 3.15Å; K49-T842 HydrophobicContact CB-CG2 3.29Å; K49-T842 HydrophobicContact CD-CG2 4.13Å; K49-T842 HydrophobicContact CG-CG2 4.33Å
50W93.5Very high82Confident2 Ų259.3 Ų59.31%0.00832%0.315CS..Hα-helixtrans-62.5-40174-66.2-31.8000112.1I46 N47 H52 F53 Y54 R95 I158 P816 Y817 E820I46-W50 HydrophobicContact CG2-CD2 3.72Å; I46-W50 HydrophobicContact CG2-CE3 3.87Å; I46-W50 HydrophobicContact CG2-CH2 3.27Å; I46-W50 HydrophobicContact CG2-CZ2 3.09Å; I46-W50 HydrophobicContact CG2-CZ3 3.67Å; I46-W50 PolarHBondContact O-N 3.45Å; N47-W50 PolarHBondContact O-N 3.17Å; N47-W50 VanDerWaalsContact OD1-CZ3 3.25Å; N47-W50 WeakPolarHBondContact OD1-CZ3 3.31Å; W50-H52 VanDerWaalsContact C-N 3.35Å; W50-F53 PolarHBondContact O-N 2.76Å; W50-Y54 WeakPolarHBondContact O-CB 3.41Å; W50-Y54 PolarHBondContact O-N 2.87Å; W50-R95 VanDerWaalsContact CE3-NH2 3.33Å; W50-I158 HydrophobicContact CB-CG2 4.03Å; W50-P816 HydrophobicContact CH2-CB 3.54Å; W50-P816 HydrophobicContact CH2-CG 3.91Å; W50-P816 HydrophobicContact CZ2-CB 3.62Å; W50-P816 HydrophobicContact CZ2-CG 4.48Å; W50-P816 HydrophobicContact CZ3-CB 4.38Å; W50-P816 HydrophobicContact CZ3-CG 4.46Å; W50-Y817 AromaticContact CH2-CD1 3.56Å; W50-Y817 HydrophobicContact CH2-CD1 3.56Å; W50-Y817 HydrophobicContact CH2-CD2 4.33Å; W50-Y817 AromaticContact CH2-CE1 3.56Å; W50-Y817 HydrophobicContact CH2-CE1 3.56Å; W50-Y817 HydrophobicContact CH2-CE2 4.35Å; W50-Y817 AromaticContact CH2-CG 3.96Å; W50-Y817 HydrophobicContact CH2-CG 3.96Å; W50-Y817 AromaticContact CH2-CZ 4Å; W50-Y817 AromaticContact CZ3-CD1 4Å; W50-Y817 HydrophobicContact CZ3-CD1 4Å; W50-Y817 AromaticContact CZ3-CE1 3.48Å; W50-Y817 HydrophobicContact CZ3-CE1 3.48Å; W50-Y817 VanDerWaalsContact CZ3-CE1 3.48Å; W50-Y817 HydrophobicContact CZ3-CE2 4.26Å; W50-Y817 AromaticContact CZ3-CZ 3.65Å; W50-E820 HydrophobicContact CZ2-CB 4.32Å; W50-E820 PolarHBondContact NE1-OE2 2.85Å
51N90.1Very high82.4Confident33 Ų3363 Ų6318%0.17633%0.331CS..Hα-helixtrans-65.4-38.1176-71.7-23.6000112.2N47 T48 K49 N55N47-N51 WeakPolarHBondContact O-CB 3.15Å; N47-N51 VanDerWaalsContact O-CG 3.22Å; N47-N51 PolarHBondContact O-N 2.82Å; N47-N51 PolarHBondContact O-ND2 3.08Å; T48-N51 PolarHBondContact O-N 2.75Å; K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 2.74Å; N51-N55 PolarHBondContact O-N 2.8Å; N51-N55 VanDerWaalsContact O-N 3.11Å; N51-N55 PolarHBondContact O-ND2 2.87Å
52H90.9Very high82.9Confident115 Ų11557.4 Ų57.453%0.53231%0.306SS..Hα-helixtrans-61.8-50.3173.3179.6-89.5000111T48 K49 W50 Y54 N55 H56T48-H52 PolarHBondContact O-N 2.76Å; K49-H52 WeakPolarHBondContact O-CB 3.41Å; K49-H52 PolarHBondContact O-N 3.21Å; W50-H52 VanDerWaalsContact C-N 3.35Å; H52-Y54 PolarHBondContact O-N 2.83Å; H52-N55 PolarHBondContact O-N 2.82Å; H52-H56 PolarHBondContact O-N 3.23Å
53F92.1Very high83.2Confident14 Ų1460.4 Ų60.46%0.06132%0.32CS..Hα-helixtrans-59.8-45.1177.2172.9-111.5000112.4K49 W50 N55 H56 Q57 L98 L844 E845K49-F53 PolarHBondContact O-N 2.81Å; W50-F53 PolarHBondContact O-N 2.76Å; F53-N55 VanDerWaalsContact C-N 3.27Å; F53-N55 PolarHBondContact O-N 3.44Å; F53-H56 WeakPolarHBondContact O-CB 3.46Å; F53-H56 PolarHBondContact O-N 2.85Å; F53-Q57 HydrophobicContact CE2-CB 4.35Å; F53-Q57 HydrophobicContact CZ-CB 4.27Å; F53-Q57 PolarHBondContact O-N 3.22Å; F53-L98 HydrophobicContact CE1-CD1 4.2Å; F53-L98 HydrophobicContact CE1-CD2 4.3Å; F53-L844 HydrophobicContact CD1-CD2 4Å; F53-L844 HydrophobicContact CD1-CG 4.01Å; F53-L844 HydrophobicContact CE1-CD2 4.12Å; F53-L844 HydrophobicContact CE1-CG 3.82Å; F53-E845 HydrophobicContact CB-CB 4.38Å; F53-E845 HydrophobicContact CD1-CB 4.41Å; F53-E845 HydrophobicContact CD2-CB 3.47Å; F53-E845 VanDerWaalsContact CD2-CB 3.47Å; F53-E845 HydrophobicContact CD2-CG 3.48Å; F53-E845 VanDerWaalsContact CD2-CG 3.48Å; F53-E845 HydrophobicContact CE2-CB 3.83Å; F53-E845 HydrophobicContact CE2-CG 3.75Å; F53-E845 HydrophobicContact CG-CB 3.81Å; F53-E845 HydrophobicContact CG-CG 4.3Å; F53-E845 HydrophobicContact CZ-CB 4.44Å
54Y93.1Very high83.7Confident1 Ų161.2 Ų61.20%0.00432%0.321CS..Hα-helixtrans-55.7-42.7176.8175.8-88.4000111.9W50 H52 Q57 L58 V104 Y106 I158 G159W50-Y54 WeakPolarHBondContact O-CB 3.41Å; W50-Y54 PolarHBondContact O-N 2.87Å; H52-Y54 PolarHBondContact O-N 2.83Å; Y54-Q57 WeakPolarHBondContact O-CG 3.4Å; Y54-Q57 PolarHBondContact O-NE2 2.96Å; Y54-Q57 VanDerWaalsContact O-NE2 3.14Å; Y54-L58 HydrophobicContact CD1-CD1 4.31Å; Y54-L58 HydrophobicContact CE1-CD1 3.6Å; Y54-L58 HydrophobicContact CE1-CG 4.38Å; Y54-V104 HydrophobicContact CD2-CG2 4.48Å; Y54-V104 HydrophobicContact CE2-CG2 4.08Å; Y54-Y106 PolarHBondContact OH-N 3.33Å; Y54-Y106 PolarHBondContact OH-O 2.96Å; Y54-I158 HydrophobicContact CD2-CB 4.24Å; Y54-I158 HydrophobicContact CD2-CD1 4.39Å; Y54-I158 HydrophobicContact CD2-CG1 4.27Å; Y54-G159 VanDerWaalsContact CD1-C 3.46Å; Y54-G159 VanDerWaalsContact CD1-O 3.29Å; Y54-G159 WeakPolarHBondContact CD1-O 3.42Å; Y54-G159 WeakPolarHBondContact CE1-O 3.37Å
55N90.2Very high84.3Confident37 Ų3760.3 Ų60.320%0.19831%0.309CS..Hα-helixtrans-71.9-32.6177.2-80.2-63.8000113.3N51 H52 F53 R569N51-N55 PolarHBondContact O-N 2.8Å; N51-N55 VanDerWaalsContact O-N 3.11Å; N51-N55 PolarHBondContact O-ND2 2.87Å; H52-N55 PolarHBondContact O-N 2.82Å; F53-N55 VanDerWaalsContact C-N 3.27Å; F53-N55 PolarHBondContact O-N 3.44Å; N55-R569 PolarHBondContact OD1-NH2 3Å
56H89.2Confident85Confident85 Ų8557.7 Ų57.739%0.39429%0.286SS..Hα-helixtrans-68-48.5178.4-178.8-89.7000111.4H52 F53 L58 K59H52-H56 PolarHBondContact O-N 3.23Å; F53-H56 WeakPolarHBondContact O-CB 3.46Å; F53-H56 PolarHBondContact O-N 2.85Å; H56-L58 PolarHBondContact O-N 3.22Å; H56-K59 WeakPolarHBondContact O-CB 3.44Å; H56-K59 PolarHBondContact O-N 2.88Å
57Q90.6Very high85.5Confident9 Ų957.4 Ų57.44%0.04229%0.285CS..Hα-helixtrans-62.2-29.2-178.367.278.12500113.1F53 Y54 K59 N60 L98 S103 V104F53-Q57 HydrophobicContact CE2-CB 4.35Å; F53-Q57 HydrophobicContact CZ-CB 4.27Å; F53-Q57 PolarHBondContact O-N 3.22Å; Y54-Q57 WeakPolarHBondContact O-CG 3.4Å; Y54-Q57 PolarHBondContact O-NE2 2.96Å; Y54-Q57 VanDerWaalsContact O-NE2 3.14Å; Q57-K59 PolarHBondContact O-N 2.88Å; Q57-N60 PolarHBondContact O-N 2.92Å; Q57-L98 HydrophobicContact CB-CD2 4.48Å; Q57-L98 HydrophobicContact CG-CD2 3.79Å; Q57-S103 VanDerWaalsContact OE1-CA 3.23Å; Q57-S103 PolarHBondContact OE1-OG 2.93Å; Q57-V104 PolarHBondContact NE2-O 2.82Å; Q57-V104 VanDerWaalsContact OE1-N 3.08Å
58L84.2Confident85.9Confident14 Ų1456.9 Ų56.97%0.07328%0.282CS..THydrogen-bonded Turntrans-64.7-20.8174.8-75.6177.4000113.9Y54 H56 N60 V104 E105Y54-L58 HydrophobicContact CD1-CD1 4.31Å; Y54-L58 HydrophobicContact CE1-CD1 3.6Å; Y54-L58 HydrophobicContact CE1-CG 4.38Å; H56-L58 PolarHBondContact O-N 3.22Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-V104 WeakPolarHBondContact CD2-O 3.34Å; L58-E105 HydrophobicContact CD2-CB 4.26Å
59K80.4Confident86.4Confident159 Ų15952.8 Ų52.869%0.69126%0.257SS*.THydrogen-bonded Turntrans-83.6-13.4179.3-62.1179.5-178.9-179.40112.6H56 Q57H56-K59 WeakPolarHBondContact O-CB 3.44Å; H56-K59 PolarHBondContact O-N 2.88Å; Q57-K59 PolarHBondContact O-N 2.88Å
60N72.9Confident86.7Confident82 Ų8249 Ų4944%0.43924%0.24SC..SBendtrans-79.7135.5-179.7-65.7-17000109.5Q57 L58 A62Q57-N60 PolarHBondContact O-N 2.92Å; L58-N60 VanDerWaalsContact C-N 3.34Å; N60-A62 PolarHBondContact O-N 2.54Å
61D65.5Low86.9Confident157 Ų15749.3 Ų49.384%0.8424%0.244SC*.  trans-74.953.3170.7-77.9-32.9000111.5Q63D61-Q63 PolarHBondContact O-N 3.49Å
62A64.3Low87.2Confident30 Ų3048.5 Ų48.525%0.24824%0.24CC..  trans-61.2131.3176.900000109.9N60 H64 K65N60-A62 PolarHBondContact O-N 2.54Å; A62-H64 PolarHBondContact O-N 3.45Å; A62-K65 WeakPolarHBondContact O-CE 3.19Å
63Q67.9Low87.4Confident145 Ų14543.8 Ų43.868%0.67822%0.22SC*.SBendtrans-65.2-26.3178.1-167.3172.4-0.100112.2D61D61-Q63 PolarHBondContact O-N 3.49Å
64H83.3Confident87.5Confident46 Ų4645.1 Ų45.121%0.21323%0.225CC..  trans-11597-176.7-55.1-62.5000110.8A62 H102 S103 L861 P863A62-H64 PolarHBondContact O-N 3.45Å; H64-H102 WeakPolarHBondContact O-CA 3.48Å; H64-S103 PolarHBondContact O-N 2.85Å; H64-L861 PolarHBondContact CE1-O 2.94Å; H64-L861 PolarHBondContact NE2-O 3.18Å; H64-P863 HydrophobicContact CB-CB 3.87Å; H64-P863 HydrophobicContact CB-CG 4.24Å
65K88.7Confident87.6Confident74 Ų7445 Ų4532%0.32222%0.224SC..EExtended strand (participates in β ladder)trans-97.6142.1176.9-57.7-173.1179.8-179.10109.7A62 S103 L570A62-K65 WeakPolarHBondContact O-CE 3.19Å; K65-S103 CarbonylContact C-O 3.56Å; K65-S103 WeakPolarHBondContact CA-O 3.37Å; K65-L570 HydrophobicContact CD-CD1 3.85Å; K65-L570 HydrophobicContact CD-CD2 3.52Å; K65-L570 HydrophobicContact CD-CG 4.29Å
66F94.2Very high87.6Confident10 Ų1045 Ų454%0.04422%0.224CC..EExtended strand (participates in β ladder)trans-125.6121.6177179.3-94000109.8L68 L93 K97 H102 S103 V104 E105 D578F66-L68 HydrophobicContact CE1-CB 4.04Å; F66-L93 HydrophobicContact CE1-CD2 4.46Å; F66-L93 HydrophobicContact CE1-CG 4.27Å; F66-L93 HydrophobicContact CZ-CD1 4.37Å; F66-L93 HydrophobicContact CZ-CD2 4.11Å; F66-L93 HydrophobicContact CZ-CG 4.16Å; F66-K97 HydrophobicContact CB-CB 4.41Å; F66-K97 HydrophobicContact CB-CG 4.49Å; F66-K97 HydrophobicContact CD1-CB 4.03Å; F66-K97 HydrophobicContact CD1-CD 4.41Å; F66-K97 HydrophobicContact CD1-CG 3.7Å; F66-K97 HydrophobicContact CD2-CD 3.82Å; F66-K97 HydrophobicContact CD2-CG 4.01Å; F66-K97 HydrophobicContact CE1-CG 3.82Å; F66-K97 HydrophobicContact CE2-CD 4.05Å; F66-K97 VanDerWaalsContact CE2-CE 3.5Å; F66-K97 HydrophobicContact CE2-CG 4.14Å; F66-K97 HydrophobicContact CG-CB 4.16Å; F66-K97 HydrophobicContact CG-CD 4.01Å; F66-K97 HydrophobicContact CG-CG 3.78Å; F66-K97 HydrophobicContact CZ-CD 4.43Å; F66-K97 HydrophobicContact CZ-CG 4.04Å; F66-H102 HydrophobicContact CB-CB 4.14Å; F66-S103 PolarHBondContact N-O 3.11Å; F66-V104 HydrophobicContact CB-CG1 4.28Å; F66-V104 HydrophobicContact CD1-CG1 4.31Å; F66-V104 CarbonylContact O-C 3.53Å; F66-V104 VanDerWaalsContact O-CA 3.3Å; F66-V104 WeakPolarHBondContact O-CA 3.35Å; F66-E105 PolarHBondContact O-N 2.82Å; F66-D578 VanDerWaalsContact CA-OD2 3.32Å; F66-D578 WeakPolarHBondContact CA-OD2 3.41Å; F66-D578 HydrophobicContact CD2-CB 3.57Å; F66-D578 HydrophobicContact CE2-CB 3.45Å; F66-D578 VanDerWaalsContact CE2-CB 3.45Å; F66-D578 HydrophobicContact CG-CB 4.41Å; F66-D578 HydrophobicContact CZ-CB 4.22Å
67I95.6Very high87.7Confident12 Ų1241.4 Ų41.46%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-108.6115-178.1-56.1174.8000109.1E105 I562 L570 A577 D578 T579I67-E105 HydrophobicContact CG1-CB 4.48Å; I67-I562 HydrophobicContact CD1-CG2 4.17Å; I67-I562 HydrophobicContact CG2-CD1 3.98Å; I67-I562 HydrophobicContact CG2-CG1 4.19Å; I67-I562 HydrophobicContact CG2-CG2 4.36Å; I67-L570 HydrophobicContact CD1-CD1 4.1Å; I67-L570 HydrophobicContact CG1-CD1 4.34Å; I67-A577 HydrophobicContact CG2-CB 4.17Å; I67-D578 PolarHBondContact N-OD2 3.23Å; I67-D578 PolarHBondContact O-N 3.2Å; I67-T579 PolarHBondContact O-N 2.63Å
68L98.1Very high87.7Confident1 Ų146.9 Ų46.91%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-101.4112.6165.6-167.9153.3000107.6F66 K90 L93 L94 E105 Y106 T579F66-L68 HydrophobicContact CE1-CB 4.04Å; L68-K90 HydrophobicContact CD1-CB 4.15Å; L68-K90 HydrophobicContact CD1-CG 4.23Å; L68-K90 HydrophobicContact CD2-CB 4.26Å; L68-K90 HydrophobicContact CD2-CD 3.95Å; L68-K90 HydrophobicContact CD2-CG 3.9Å; L68-L93 HydrophobicContact CD1-CB 4.44Å; L68-L93 HydrophobicContact CD1-CD2 3.75Å; L68-L93 HydrophobicContact CD1-CG 4.24Å; L68-L94 HydrophobicContact CB-CD2 3.84Å; L68-L94 HydrophobicContact CD1-CD2 4.26Å; L68-L94 HydrophobicContact CD1-CG 4.14Å; L68-E105 PolarHBondContact N-O 2.99Å; L68-E105 VanDerWaalsContact N-O 3.13Å; L68-Y106 HydrophobicContact CB-CD2 4.34Å; L68-Y106 HydrophobicContact CD2-CD2 3.53Å; L68-Y106 HydrophobicContact CD2-CE2 3.59Å; L68-Y106 HydrophobicContact CG-CD2 4.48Å; L68-T579 WeakPolarHBondContact CA-O 3.17Å
69H98.1Very high88.1Confident4 Ų446.8 Ų46.82%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-81.6131.2175.1-160.632.9000110.1S557 I562 A577 T579 Y580 W590H69-S557 WeakPolarHBondContact NE2-CB 3.3Å; H69-S557 PolarHBondContact NE2-OG 2.69Å; H69-I562 HydrophobicContact CB-CD1 3.7Å; H69-I562 VanDerWaalsContact CG-CD1 3.45Å; H69-I562 WeakPolarHBondContact ND1-CD1 3.45Å; H69-A577 HydrophobicContact CB-CB 4.09Å; H69-T579 PolarHBondContact N-O 3.25Å; H69-T579 VanDerWaalsContact N-O 3.13Å; H69-Y580 HydrophobicContact CB-CD1 3.53Å; H69-Y580 HydrophobicContact CB-CE1 3.2Å; H69-Y580 HydrophobicContact CB-CG 4.5Å; H69-Y580 AromaticContact CD2-CE1 3.63Å; H69-Y580 AromaticContact CD2-CZ 3.39Å; H69-Y580 PolarHBondContact CD2-OH 2.95Å; H69-Y580 AromaticContact CG-CE1 3.79Å; H69-W590 HydrophobicContact CB-CH2 4.27Å; H69-W590 AromaticContact CD2-CH2 3.46Å; H69-W590 VanDerWaalsContact CD2-CH2 3.46Å; H69-W590 WeakPolarHBondContact CD2-CH2 3.03Å; H69-W590 AromaticContact CD2-CZ2 3.22Å; H69-W590 WeakPolarHBondContact CD2-CZ2 3.31Å; H69-W590 AromaticContact NE2-CZ2 3.59Å
70D98.3Very high88.7Confident0 Ų044.2 Ų44.20%023%0.226CC..PPolyproline II helixtrans-86.7119.7178.5-166.141.9000109.9K87 K90 Y106 I107 P108 G109 Y165D70-K87 IonicContact OD1-NZ 2.75Å; D70-K87 PolarHBondContact OD1-NZ 3.05Å; D70-K87 IonicContact OD2-NZ 2.96Å; D70-K87 PolarHBondContact OD2-NZ 2.87Å; D70-K90 IonicContact OD1-NZ 2.77Å; D70-K90 PolarHBondContact OD1-NZ 3.13Å; D70-Y106 HydrophobicContact CB-CD2 4.22Å; D70-Y106 HydrophobicContact CB-CE2 3.56Å; D70-Y106 PolarHBondContact OD1-OH 3Å; D70-I107 WeakPolarHBondContact CB-O 3.31Å; D70-P108 VanDerWaalsContact OD2-CA 3.32Å; D70-P108 WeakPolarHBondContact OD2-CA 3.4Å; D70-G109 PolarHBondContact OD2-N 3.38Å; D70-Y165 PolarHBondContact O-OH 2.97Å
71G97Very high89.6Confident8 Ų840.4 Ų40.48%0.08221%0.206CC..PPolyproline II helixtrans-65.9124.2165.100000109.5P73 E582 W590G71-P73 WeakPolarHBondContact O-CD 3.34Å; G71-E582 WeakPolarHBondContact CA-OE1 3.22Å; G71-E582 PolarHBondContact N-OE1 2.92Å; G71-W590 VanDerWaalsContact CA-CZ3 3.47Å; G71-W590 VanDerWaalsContact N-CH2 3.26Å
72P96.8Very high91Very high15 Ų1533.7 Ų33.710%0.09717%0.174CC..PPolyproline II helixtrans-74.4117.7-171.325.9-29.1000110.9W110 D111 Y165P72-W110 VanDerWaalsContact CB-C 3.5Å; P72-D111 HydrophobicContact CB-CB 4.23Å; P72-D111 HydrophobicContact CG-CB 4.32Å; P72-Y165 HydrophobicContact CB-CE2 3.97Å; P72-Y165 WeakPolarHBondContact CB-OH 3.3Å; P72-Y165 VanDerWaalsContact CD-OH 3.25Å; P72-Y165 WeakPolarHBondContact CD-OH 3.42Å; P72-Y165 HydrophobicContact CG-CE2 4.29Å; P72-Y165 WeakPolarHBondContact CG-OH 3.37Å
73P95.5Very high92.5Very high16 Ų1634.2 Ų34.210%0.10417%0.171CC..PPolyproline II helixtrans-63.6149.1168.825.6-37.7000112.2G71 A75 G109 W110 D111 F152G71-P73 WeakPolarHBondContact O-CD 3.34Å; P73-A75 PolarHBondContact O-N 2.99Å; P73-G109 VanDerWaalsContact CD-O 3.24Å; P73-G109 WeakPolarHBondContact CD-O 3.45Å; P73-W110 WeakPolarHBondContact O-CA 3.38Å; P73-D111 PolarHBondContact O-N 2.99Å; P73-F152 HydrophobicContact CG-CE2 4.23Å; P73-F152 HydrophobicContact CG-CZ 4.37Å
74Y93.4Very high93.8Very high42 Ų4227.3 Ų27.317%0.16514%0.139CC..BIsolated β-bridgetrans-64.3129.3173-87.4-84.2000112.3N76 D111 P116 Q148 V550Y74-N76 PolarHBondContact O-N 3.13Å; Y74-D111 WeakPolarHBondContact CA-O 3.39Å; Y74-D111 HydrophobicContact CD1-CB 4.42Å; Y74-D111 HydrophobicContact CE1-CB 4.4Å; Y74-D111 VanDerWaalsContact CE1-OD2 3.29Å; Y74-D111 WeakPolarHBondContact CE1-OD2 3.42Å; Y74-D111 PolarHBondContact OH-OD2 3.33Å; Y74-P116 HydrophobicContact CE1-CG 4.32Å; Y74-Q148 PolarHBondContact O-NE2 3.38Å; Y74-V550 VanDerWaalsContact OH-CB 3.3Å; Y74-V550 WeakPolarHBondContact OH-CB 3.33Å; Y74-V550 WeakPolarHBondContact OH-CG2 3.15Å
75A95Very high94.5Very high0 Ų025.1 Ų25.10%013%0.129CC..THydrogen-bonded Turntrans-81.650.4175.700000112.9P73 W110 D111 I117 A141 F144 V145P73-A75 PolarHBondContact O-N 2.99Å; A75-W110 HydrophobicContact CB-CB 4.47Å; A75-D111 PolarHBondContact N-O 3.45Å; A75-I117 HydrophobicContact CB-CD1 4.38Å; A75-A141 HydrophobicContact CB-CB 4.15Å; A75-F144 HydrophobicContact CB-CB 4.35Å; A75-F144 WeakPolarHBondContact O-CB 3.12Å; A75-F144 WeakPolarHBondContact O-CD2 3.29Å; A75-V145 HydrophobicContact CB-CG2 3.79Å
76N90.8Very high94.9Very high35 Ų3522.1 Ų22.119%0.18712%0.116CC..THydrogen-bonded Turntrans-121.4-1.9-173.170.46.3000115Y74 P116 I117 K120 F144Y74-N76 PolarHBondContact O-N 3.13Å; N76-P116 WeakPolarHBondContact ND2-CB 3.41Å; N76-I117 HydrophobicContact CB-CG1 3.83Å; N76-K120 VanDerWaalsContact O-CD 3.24Å; N76-K120 WeakPolarHBondContact O-CD 3.08Å; N76-K120 WeakPolarHBondContact O-CE 3.22Å; N76-K120 PolarHBondContact O-NZ 3.49Å; N76-F144 VanDerWaalsContact C-CD2 3.45Å; N76-F144 WeakPolarHBondContact O-CE2 3.42Å
77G90.5Very high95.1Very high11 Ų1121.8 Ų21.811%0.11312%0.115CC..SBendtrans-173.5178.7-171.600000115.6F144 Q148G77-F144 VanDerWaalsContact C-CD1 3.5Å; G77-F144 VanDerWaalsContact CA-CE1 3.43Å; G77-F144 WeakPolarHBondContact O-CD1 3.34Å; G77-Q148 PolarHBondContact O-NE2 3.14Å
78E90.8Very high95.3Very high124 Ų12421.2 Ų21.258%0.57911%0.112SC*.  trans-67.9148.8172.6-64.7-62146.600111.3
79L93.9Very high95.3Very high11 Ų1121.1 Ų21.16%0.05811%0.112CC..  trans-71.2138.4178.3-60.7170.5000111.2H83 Q148 F152 W155 P634L79-H83 HydrophobicContact CB-CB 4.38Å; L79-H83 HydrophobicContact CD2-CB 4Å; L79-Q148 HydrophobicContact CD1-CB 4.21Å; L79-Q148 HydrophobicContact CD1-CG 4.41Å; L79-Q148 HydrophobicContact CD2-CB 4.1Å; L79-Q148 HydrophobicContact CD2-CG 3.73Å; L79-Q148 HydrophobicContact CG-CB 4.23Å; L79-Q148 HydrophobicContact CG-CG 3.89Å; L79-F152 HydrophobicContact CD1-CD1 3.79Å; L79-F152 HydrophobicContact CD1-CE1 3.39Å; L79-F152 HydrophobicContact CD1-CE2 4.47Å; L79-F152 HydrophobicContact CD1-CG 4.48Å; L79-F152 HydrophobicContact CD1-CZ 3.79Å; L79-F152 HydrophobicContact CD2-CE1 3.8Å; L79-F152 HydrophobicContact CD2-CE2 4.37Å; L79-F152 HydrophobicContact CD2-CZ 3.49Å; L79-F152 VanDerWaalsContact CD2-CZ 3.49Å; L79-F152 HydrophobicContact CG-CE1 4.22Å; L79-F152 HydrophobicContact CG-CZ 4.3Å; L79-W155 HydrophobicContact CB-CH2 3.94Å; L79-W155 HydrophobicContact CB-CZ2 4.31Å; L79-W155 HydrophobicContact CD1-CH2 3.53Å; L79-W155 HydrophobicContact CD1-CZ2 3.83Å; L79-W155 HydrophobicContact CD1-CZ3 4.27Å; L79-W155 HydrophobicContact CG-CH2 4.33Å; L79-P634 WeakPolarHBondContact O-CD 3.5Å
80H91.7Very high95.3Very high105 Ų10521 Ų2149%0.48611%0.111SC..  trans-104.6170.5170.75862.7000112.7G82 H83 A84H80-G82 WeakPolarHBondContact ND1-CA 3.26Å; H80-G82 PolarHBondContact ND1-N 3.23Å; H80-G82 VanDerWaalsContact ND1-N 3.15Å; H80-G82 PolarHBondContact O-N 3.2Å; H80-G82 VanDerWaalsContact O-N 3.13Å; H80-H83 AromaticContact CD2-CE1 3.45Å; H80-H83 PolarHBondContact CD2-CE1 3.29Å; H80-H83 VanDerWaalsContact CD2-CE1 3.45Å; H80-H83 AromaticContact CD2-ND1 3.51Å; H80-H83 AromaticContact CE1-CE1 3.33Å; H80-H83 PolarHBondContact CE1-CE1 3.21Å; H80-H83 AromaticContact CE1-CG 3.94Å; H80-H83 AromaticContact CE1-ND1 3.19Å; H80-H83 PolarHBondContact CE1-ND1 3.38Å; H80-H83 AromaticContact CG-CE1 3.9Å; H80-H83 AromaticContact CG-ND1 3.46Å; H80-H83 PolarHBondContact N-ND1 2.85Å; H80-H83 AromaticContact ND1-CE1 3.82Å; H80-H83 PolarHBondContact ND1-N 3.48Å; H80-H83 AromaticContact ND1-ND1 3.25Å; H80-H83 PolarHBondContact ND1-ND1 3.23Å; H80-H83 AromaticContact NE2-CE1 3.06Å; H80-H83 PolarHBondContact NE2-CE1 2.7Å; H80-H83 AromaticContact NE2-ND1 3.35Å; H80-H83 PolarHBondContact NE2-ND1 3.09Å; H80-H83 AromaticContact NE2-NE2 3.97Å; H80-H83 WeakPolarHBondContact O-CB 2.98Å; H80-H83 PolarHBondContact O-N 3.06Å; H80-A84 PolarHBondContact O-N 3.36Å
81A93.2Very high95.3Very high2 Ų221 Ų212%0.01711%0.111CC..Hα-helixtrans-55-32.4-178.700000114.6H83 A84 L85 V616 M624 W651 L663A81-H83 VanDerWaalsContact C-N 3.29Å; A81-H83 PolarHBondContact O-N 3.37Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.27Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A81-L85 PolarHBondContact O-N 2.78Å; A81-V616 HydrophobicContact CB-CG1 4.12Å; A81-V616 HydrophobicContact CB-CG2 4.5Å; A81-M624 HydrophobicContact CB-CE 4.4Å; A81-W651 HydrophobicContact CB-CH2 4.15Å; A81-L663 HydrophobicContact CB-CD2 3.35Å
82G93.9Very high95.4Very high17 Ų1720.6 Ų20.618%0.17511%0.107CC..Hα-helixtrans-56.7-38.117200000114.2H80 L85 N86H80-G82 WeakPolarHBondContact ND1-CA 3.26Å; H80-G82 PolarHBondContact ND1-N 3.23Å; H80-G82 VanDerWaalsContact ND1-N 3.15Å; H80-G82 PolarHBondContact O-N 3.2Å; H80-G82 VanDerWaalsContact O-N 3.13Å; G82-L85 PolarHBondContact O-N 2.87Å; G82-N86 WeakPolarHBondContact O-CB 3.42Å; G82-N86 PolarHBondContact O-N 3.17Å
83H95.8Very high95.5Very high40 Ų4020.5 Ų20.519%0.18511%0.105CC..Hα-helixtrans-69.2-37174.8-62.7104.1000111.7L79 H80 A81 N86 K87 F152L79-H83 HydrophobicContact CB-CB 4.38Å; L79-H83 HydrophobicContact CD2-CB 4Å; H80-H83 AromaticContact CD2-CE1 3.45Å; H80-H83 PolarHBondContact CD2-CE1 3.29Å; H80-H83 VanDerWaalsContact CD2-CE1 3.45Å; H80-H83 AromaticContact CD2-ND1 3.51Å; H80-H83 AromaticContact CE1-CE1 3.33Å; H80-H83 PolarHBondContact CE1-CE1 3.21Å; H80-H83 AromaticContact CE1-CG 3.94Å; H80-H83 AromaticContact CE1-ND1 3.19Å; H80-H83 PolarHBondContact CE1-ND1 3.38Å; H80-H83 AromaticContact CG-CE1 3.9Å; H80-H83 AromaticContact CG-ND1 3.46Å; H80-H83 PolarHBondContact N-ND1 2.85Å; H80-H83 AromaticContact ND1-CE1 3.82Å; H80-H83 PolarHBondContact ND1-N 3.48Å; H80-H83 AromaticContact ND1-ND1 3.25Å; H80-H83 PolarHBondContact ND1-ND1 3.23Å; H80-H83 AromaticContact NE2-CE1 3.06Å; H80-H83 PolarHBondContact NE2-CE1 2.7Å; H80-H83 AromaticContact NE2-ND1 3.35Å; H80-H83 PolarHBondContact NE2-ND1 3.09Å; H80-H83 AromaticContact NE2-NE2 3.97Å; H80-H83 WeakPolarHBondContact O-CB 2.98Å; H80-H83 PolarHBondContact O-N 3.06Å; A81-H83 VanDerWaalsContact C-N 3.29Å; A81-H83 PolarHBondContact O-N 3.37Å; H83-N86 PolarHBondContact O-N 2.86Å; H83-K87 WeakPolarHBondContact O-CB 3.33Å; H83-K87 WeakPolarHBondContact O-CG 3.33Å; H83-K87 PolarHBondContact O-N 2.84Å; H83-F152 HydrophobicContact CB-CE1 4.28Å
84A96.2Very high95.6Very high1 Ų119.7 Ų19.71%0.00810%0.1CC..Hα-helixtrans-64.4-45.3175.700000111.5H80 A81 V88 W155 P634 M648H80-A84 PolarHBondContact O-N 3.36Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.27Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A84-V88 VanDerWaalsContact O-CB 3.27Å; A84-V88 WeakPolarHBondContact O-CB 3.19Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 3.09Å; A84-W155 VanDerWaalsContact CA-CZ3 3.44Å; A84-W155 HydrophobicContact CB-CE3 4.32Å; A84-W155 HydrophobicContact CB-CH2 3.98Å; A84-W155 HydrophobicContact CB-CZ3 3.82Å; A84-P634 HydrophobicContact CB-CB 4.31Å; A84-P634 HydrophobicContact CB-CG 4Å; A84-M648 HydrophobicContact CB-CE 3.99Å; A84-M648 HydrophobicContact CB-CG 4.42Å; A84-M648 HydrophobicContact CB-SD 3.68Å
85L97.4Very high95.8Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-54.8-56.4172.7176.965.9000110.5A81 G82 K87 V88 L89 H613 V616 W651 A652 C661A81-L85 PolarHBondContact O-N 2.78Å; G82-L85 PolarHBondContact O-N 2.87Å; L85-K87 PolarHBondContact O-N 2.82Å; L85-V88 PolarHBondContact O-N 3.07Å; L85-L89 HydrophobicContact CD1-CD1 3.81Å; L85-L89 HydrophobicContact CD1-CG 4.22Å; L85-L89 HydrophobicContact CG-CD1 4.02Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.48Å; L85-L89 VanDerWaalsContact O-N 3.09Å; L85-H613 HydrophobicContact CD2-CB 4.39Å; L85-V616 HydrophobicContact CB-CG2 4.27Å; L85-V616 HydrophobicContact CD2-CG2 3.94Å; L85-W651 HydrophobicContact CB-CH2 4.34Å; L85-W651 HydrophobicContact CB-CZ3 4.46Å; L85-A652 HydrophobicContact CD1-CB 4.02Å; L85-A652 WeakPolarHBondContact CD1-O 3.26Å; L85-C661 HydrophobicContact CD2-CB 4.1Å; L85-C661 VanDerWaalsContact CD2-SG 3.55Å
86N98Very high95.9Very high11 Ų1118.6 Ų18.66%0.05910%0.097CC..Hα-helixtrans-54.2-55.5-178.8178.6-94.7000112.8G82 H83 V88 L89 K90 L581 E582 H613G82-N86 WeakPolarHBondContact O-CB 3.42Å; G82-N86 PolarHBondContact O-N 3.17Å; H83-N86 PolarHBondContact O-N 2.86Å; N86-V88 PolarHBondContact O-N 3.23Å; N86-L89 PolarHBondContact O-N 3.46Å; N86-K90 WeakPolarHBondContact O-CG 3.13Å; N86-K90 PolarHBondContact O-N 2.59Å; N86-K90 VanDerWaalsContact OD1-CE 3.29Å; N86-K90 WeakPolarHBondContact OD1-CE 3.38Å; N86-K90 PolarHBondContact OD1-NZ 3.43Å; N86-L581 PolarHBondContact ND2-O 2.87Å; N86-E582 PolarHBondContact ND2-OE2 3.47Å; N86-H613 WeakPolarHBondContact CB-NE2 3.41Å; N86-H613 PolarHBondContact ND2-NE2 3.41Å
87K98.3Very high96.1Very high2 Ų219.7 Ų19.71%0.00910%0.1CC..Hα-helixtrans-68.3-37.4-174.5-68.4-70.6-177.1179.90112.5D70 H83 L85 K90 D91 Y106 F152 I157D70-K87 IonicContact OD1-NZ 2.75Å; D70-K87 PolarHBondContact OD1-NZ 3.05Å; D70-K87 IonicContact OD2-NZ 2.96Å; D70-K87 PolarHBondContact OD2-NZ 2.87Å; H83-K87 WeakPolarHBondContact O-CB 3.33Å; H83-K87 WeakPolarHBondContact O-CG 3.33Å; H83-K87 PolarHBondContact O-N 2.84Å; L85-K87 PolarHBondContact O-N 2.82Å; K87-K90 HydrophobicContact CD-CD 4.41Å; K87-K90 PolarHBondContact O-N 2.78Å; K87-D91 WeakPolarHBondContact O-CB 3.46Å; K87-D91 PolarHBondContact O-N 3.33Å; K87-Y106 WeakPolarHBondContact CD-OH 3.27Å; K87-Y106 PolarHBondContact NZ-OH 2.78Å; K87-F152 HydrophobicContact CB-CD1 4.42Å; K87-F152 HydrophobicContact CD-CD1 4.43Å; K87-F152 HydrophobicContact CD-CE1 4.3Å; K87-F152 HydrophobicContact CD-CZ 4.41Å; K87-F152 HydrophobicContact CG-CD1 3.81Å; K87-F152 HydrophobicContact CG-CE1 3.57Å; K87-F152 HydrophobicContact CG-CG 4.5Å; K87-F152 HydrophobicContact CG-CZ 4.07Å; K87-I157 HydrophobicContact CB-CD1 4.05Å; K87-I157 HydrophobicContact CB-CG1 4.22Å; K87-I157 WeakPolarHBondContact O-CD1 3.43Å
88V98.4Very high96.3Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-64-43.5175.9171.10000110.8A84 L85 N86 K90 D91 V92 I157 M648 R649 A652A84-V88 VanDerWaalsContact O-CB 3.27Å; A84-V88 WeakPolarHBondContact O-CB 3.19Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 3.07Å; N86-V88 PolarHBondContact O-N 3.23Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.82Å; V88-D91 PolarHBondContact O-N 2.85Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 VanDerWaalsContact O-CG2 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.34Å; V88-V92 PolarHBondContact O-N 2.84Å; V88-I157 HydrophobicContact CG2-CD1 4.46Å; V88-M648 HydrophobicContact CG2-CE 4.45Å; V88-R649 HydrophobicContact CG1-CB 4.06Å; V88-R649 HydrophobicContact CG1-CG 4.25Å; V88-R649 HydrophobicContact CG2-CB 4.48Å; V88-R649 HydrophobicContact CG2-CG 3.93Å; V88-A652 HydrophobicContact CB-CB 3.88Å; V88-A652 HydrophobicContact CG1-CB 3.85Å; V88-A652 HydrophobicContact CG2-CB 4.34Å
89L98.5Very high96.4Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-63.4-39.8178-64.7173000111.9L85 N86 L93 L581 H613 G656 L657 Y757L85-L89 HydrophobicContact CD1-CD1 3.81Å; L85-L89 HydrophobicContact CD1-CG 4.22Å; L85-L89 HydrophobicContact CG-CD1 4.02Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.48Å; L85-L89 VanDerWaalsContact O-N 3.09Å; N86-L89 PolarHBondContact O-N 3.46Å; L89-L93 PolarHBondContact O-N 3.01Å; L89-L93 VanDerWaalsContact O-N 3.16Å; L89-L581 HydrophobicContact CB-CD1 4.05Å; L89-L581 HydrophobicContact CB-CD2 4.15Å; L89-H613 HydrophobicContact CD1-CB 3.85Å; L89-G656 WeakPolarHBondContact CD1-O 3.36Å; L89-L657 HydrophobicContact CD1-CD2 4.27Å; L89-Y757 HydrophobicContact CD2-CD2 3.83Å; L89-Y757 HydrophobicContact CD2-CE2 3.55Å
90K98.7Very high96.3Very high0 Ų014.2 Ų14.20%08%0.075CC..Hα-helixtrans-59.5-48.9171.9-71.2174.6175.9163.90111.6L68 D70 N86 K87 V88 V92 L93 L94 Y106 L581 E582L68-K90 HydrophobicContact CD1-CB 4.15Å; L68-K90 HydrophobicContact CD1-CG 4.23Å; L68-K90 HydrophobicContact CD2-CB 4.26Å; L68-K90 HydrophobicContact CD2-CD 3.95Å; L68-K90 HydrophobicContact CD2-CG 3.9Å; D70-K90 IonicContact OD1-NZ 2.77Å; D70-K90 PolarHBondContact OD1-NZ 3.13Å; N86-K90 WeakPolarHBondContact O-CG 3.13Å; N86-K90 PolarHBondContact O-N 2.59Å; N86-K90 VanDerWaalsContact OD1-CE 3.29Å; N86-K90 WeakPolarHBondContact OD1-CE 3.38Å; N86-K90 PolarHBondContact OD1-NZ 3.43Å; K87-K90 HydrophobicContact CD-CD 4.41Å; K87-K90 PolarHBondContact O-N 2.78Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.82Å; K90-V92 PolarHBondContact O-N 3.14Å; K90-L93 WeakPolarHBondContact O-CB 3.41Å; K90-L93 PolarHBondContact O-N 2.87Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.46Å; K90-L94 PolarHBondContact O-N 2.97Å; K90-Y106 HydrophobicContact CD-CE2 4.16Å; K90-L581 WeakPolarHBondContact CE-O 3.46Å; K90-L581 HydrophobicContact CG-CB 4.13Å; K90-L581 HydrophobicContact CG-CD1 4.29Å; K90-L581 HydrophobicContact CG-CD2 4.06Å; K90-L581 HydrophobicContact CG-CG 4.38Å; K90-E582 WeakPolarHBondContact CE-OE1 3.46Å; K90-E582 IonicContact NZ-OE1 2.74Å; K90-E582 PolarHBondContact NZ-OE1 3.42Å; K90-E582 IonicContact NZ-OE2 3.33Å; K90-E582 PolarHBondContact NZ-OE2 2.89Å
91D98.6Very high96.2Very high0 Ų010.2 Ų10.20%06%0.061CC..Hα-helixtrans-64-39.7-178.5-177.169.4000112.7K87 V88 L93 L94 R95 I157 I158 R649K87-D91 WeakPolarHBondContact O-CB 3.46Å; K87-D91 PolarHBondContact O-N 3.33Å; V88-D91 PolarHBondContact O-N 2.85Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.19Å; D91-L94 PolarHBondContact O-N 3.07Å; D91-R95 WeakPolarHBondContact O-CB 3.46Å; D91-R95 VanDerWaalsContact O-CG 3.27Å; D91-R95 WeakPolarHBondContact O-CG 3.37Å; D91-R95 PolarHBondContact O-N 3.35Å; D91-R95 IonicContact OD1-NE 3.24Å; D91-R95 PolarHBondContact OD1-NE 3.36Å; D91-R95 WeakPolarHBondContact OD2-CD 3.42Å; D91-R95 IonicContact OD2-CZ 3.7Å; D91-R95 IonicContact OD2-NE 3.89Å; D91-R95 PolarHBondContact OD2-NE 2.92Å; D91-R95 IonicContact OD2-NH2 2.71Å; D91-I157 HydrophobicContact CB-CD1 3.58Å; D91-I157 HydrophobicContact CB-CG2 4.29Å; D91-I157 WeakPolarHBondContact OD1-CA 3.48Å; D91-I158 WeakPolarHBondContact OD1-CG1 3.48Å; D91-I158 PolarHBondContact OD1-N 3.12Å; D91-R649 IonicContact OD2-CZ 2.63Å; D91-R649 IonicContact OD2-NH1 2.93Å; D91-R649 PolarHBondContact OD2-NH1 2.66Å; D91-R649 IonicContact OD2-NH2 3.92Å; D91-R649 PolarHBondContact OD2-NH2 2.93Å
92V98.5Very high96.1Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-59.2-47173.5172.40000110.5V88 K90 L94 R95 L96 Y757 P813 I814V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 VanDerWaalsContact O-CG2 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.34Å; V88-V92 PolarHBondContact O-N 2.84Å; K90-V92 PolarHBondContact O-N 3.14Å; V92-L94 PolarHBondContact O-N 3.39Å; V92-R95 PolarHBondContact O-N 2.88Å; V92-L96 HydrophobicContact CG1-CD1 3.79Å; V92-L96 HydrophobicContact CG1-CG 4.46Å; V92-L96 WeakPolarHBondContact O-CB 3.45Å; V92-L96 WeakPolarHBondContact O-CD1 3.4Å; V92-L96 WeakPolarHBondContact O-CG 3.17Å; V92-L96 PolarHBondContact O-N 3.13Å; V92-Y757 HydrophobicContact CB-CE2 4.38Å; V92-Y757 HydrophobicContact CG1-CD1 4.44Å; V92-Y757 HydrophobicContact CG1-CD2 4.48Å; V92-Y757 HydrophobicContact CG1-CE1 3.91Å; V92-Y757 HydrophobicContact CG1-CE2 3.91Å; V92-P813 HydrophobicContact CG1-CB 4.05Å; V92-P813 WeakPolarHBondContact CG2-O 3.38Å; V92-I814 HydrophobicContact CG1-CG1 4.42Å
93L98.2Very high96Very high13 Ų1311.4 Ų11.47%0.0686%0.063CC..Hα-helixtrans-61.6-44.5177.7177.457.9000111.9F66 L68 L89 K90 D91 L96 K97 T579 F755F66-L93 HydrophobicContact CE1-CD2 4.46Å; F66-L93 HydrophobicContact CE1-CG 4.27Å; F66-L93 HydrophobicContact CZ-CD1 4.37Å; F66-L93 HydrophobicContact CZ-CD2 4.11Å; F66-L93 HydrophobicContact CZ-CG 4.16Å; L68-L93 HydrophobicContact CD1-CB 4.44Å; L68-L93 HydrophobicContact CD1-CD2 3.75Å; L68-L93 HydrophobicContact CD1-CG 4.24Å; L89-L93 PolarHBondContact O-N 3.01Å; L89-L93 VanDerWaalsContact O-N 3.16Å; K90-L93 WeakPolarHBondContact O-CB 3.41Å; K90-L93 PolarHBondContact O-N 2.87Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.19Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-K97 HydrophobicContact CD1-CG 4.27Å; L93-K97 WeakPolarHBondContact O-CG 3.31Å; L93-K97 PolarHBondContact O-N 3.45Å; L93-T579 HydrophobicContact CD2-CG2 3.92Å; L93-F755 HydrophobicContact CB-CE1 4.45Å; L93-F755 HydrophobicContact CD1-CZ 4.21Å; L93-F755 HydrophobicContact CD2-CE1 4.17Å; L93-F755 HydrophobicContact CD2-CZ 3.97Å
94L97.9Very high96Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-61.4-47177.6-69.9166.4000111.9L68 K90 D91 V92 L96 K97 L98 V104 Y106 I158L68-L94 HydrophobicContact CB-CD2 3.84Å; L68-L94 HydrophobicContact CD1-CD2 4.26Å; L68-L94 HydrophobicContact CD1-CG 4.14Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.46Å; K90-L94 PolarHBondContact O-N 2.97Å; D91-L94 PolarHBondContact O-N 3.07Å; V92-L94 PolarHBondContact O-N 3.39Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.4Å; L94-K97 PolarHBondContact O-N 3.03Å; L94-L98 PolarHBondContact O-N 3.12Å; L94-V104 HydrophobicContact CD2-CB 4.04Å; L94-V104 HydrophobicContact CD2-CG2 4.11Å; L94-Y106 HydrophobicContact CD1-CD1 3.52Å; L94-Y106 HydrophobicContact CD1-CD2 3.97Å; L94-Y106 HydrophobicContact CD1-CE1 4.09Å; L94-Y106 HydrophobicContact CD1-CE2 4.49Å; L94-Y106 HydrophobicContact CD1-CG 3.43Å; L94-Y106 VanDerWaalsContact CD1-CG 3.43Å; L94-Y106 HydrophobicContact CD2-CG 4.38Å; L94-I158 HydrophobicContact CB-CD1 4.09Å; L94-I158 HydrophobicContact CB-CG1 4.3Å; L94-I158 HydrophobicContact CD1-CG1 4.41Å
95R97.8Very high95.8Very high4 Ų49.8 Ų9.82%0.0156%0.055CC..Hα-helixtrans-61.1-43.1176.7-71.7173-177.3-90.72.8111W50 D91 V92 K97 L98 L99 G156 I158 P813 L844W50-R95 VanDerWaalsContact CE3-NH2 3.33Å; D91-R95 WeakPolarHBondContact O-CB 3.46Å; D91-R95 VanDerWaalsContact O-CG 3.27Å; D91-R95 WeakPolarHBondContact O-CG 3.37Å; D91-R95 PolarHBondContact O-N 3.35Å; D91-R95 IonicContact OD1-NE 3.24Å; D91-R95 PolarHBondContact OD1-NE 3.36Å; D91-R95 WeakPolarHBondContact OD2-CD 3.42Å; D91-R95 IonicContact OD2-CZ 3.7Å; D91-R95 IonicContact OD2-NE 3.89Å; D91-R95 PolarHBondContact OD2-NE 2.92Å; D91-R95 IonicContact OD2-NH2 2.71Å; V92-R95 PolarHBondContact O-N 2.88Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 3.14Å; R95-L98 PolarHBondContact O-N 2.91Å; R95-L99 WeakPolarHBondContact O-CB 3.49Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 2.93Å; R95-G156 PolarHBondContact NH2-O 2.84Å; R95-I158 HydrophobicContact CG-CD1 4Å; R95-P813 HydrophobicContact CB-CB 4.02Å; R95-P813 HydrophobicContact CB-CG 4.4Å; R95-L844 HydrophobicContact CB-CD1 4.44Å; R95-L844 HydrophobicContact CG-CD1 4.44Å; R95-L844 HydrophobicContact CG-CD2 4.38Å
96L96.5Very high95.8Very high14 Ų149.8 Ų9.87%0.0736%0.055CC..Hα-helixtrans-60.6-40.7176.1-73.7162.6000112.5V92 L93 L94 L99 S100 Y752 Y757 P813V92-L96 HydrophobicContact CG1-CD1 3.79Å; V92-L96 HydrophobicContact CG1-CG 4.46Å; V92-L96 WeakPolarHBondContact O-CB 3.45Å; V92-L96 WeakPolarHBondContact O-CD1 3.4Å; V92-L96 WeakPolarHBondContact O-CG 3.17Å; V92-L96 PolarHBondContact O-N 3.13Å; L93-L96 PolarHBondContact O-N 3.04Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 3.4Å; L96-S100 WeakPolarHBondContact O-CB 3.31Å; L96-S100 PolarHBondContact O-N 3.04Å; L96-S100 PolarHBondContact O-OG 3.37Å; L96-Y752 HydrophobicContact CD1-CD1 3.21Å; L96-Y752 HydrophobicContact CD1-CE1 3.74Å; L96-Y752 HydrophobicContact CD1-CG 3.88Å; L96-Y752 HydrophobicContact CD2-CD1 3.55Å; L96-Y752 HydrophobicContact CD2-CD2 3.88Å; L96-Y752 HydrophobicContact CD2-CE1 3.66Å; L96-Y752 HydrophobicContact CD2-CE2 3.98Å; L96-Y752 HydrophobicContact CD2-CG 3.68Å; L96-Y752 HydrophobicContact CG-CD1 3.98Å; L96-Y752 HydrophobicContact CG-CE1 4.21Å; L96-Y752 HydrophobicContact CG-CG 4.44Å; L96-Y757 HydrophobicContact CD1-CE1 4.4Å; L96-P813 HydrophobicContact CD2-CB 4.24Å; L96-P813 HydrophobicContact CD2-CG 3.72Å; L96-P813 HydrophobicContact CG-CB 4.02Å; L96-P813 HydrophobicContact CG-CG 3.97Å
97K95.4Very high95.8Very high58 Ų589.7 Ų9.725%0.2525%0.054SC..Hα-helixtrans-68-42.4178.7-69.5-68.5-178.7-178.10112.4F66 L93 L94 R95 S100 G101 H102 V104F66-K97 HydrophobicContact CB-CB 4.41Å; F66-K97 HydrophobicContact CB-CG 4.49Å; F66-K97 HydrophobicContact CD1-CB 4.03Å; F66-K97 HydrophobicContact CD1-CD 4.41Å; F66-K97 HydrophobicContact CD1-CG 3.7Å; F66-K97 HydrophobicContact CD2-CD 3.82Å; F66-K97 HydrophobicContact CD2-CG 4.01Å; F66-K97 HydrophobicContact CE1-CG 3.82Å; F66-K97 HydrophobicContact CE2-CD 4.05Å; F66-K97 VanDerWaalsContact CE2-CE 3.5Å; F66-K97 HydrophobicContact CE2-CG 4.14Å; F66-K97 HydrophobicContact CG-CB 4.16Å; F66-K97 HydrophobicContact CG-CD 4.01Å; F66-K97 HydrophobicContact CG-CG 3.78Å; F66-K97 HydrophobicContact CZ-CD 4.43Å; F66-K97 HydrophobicContact CZ-CG 4.04Å; L93-K97 HydrophobicContact CD1-CG 4.27Å; L93-K97 WeakPolarHBondContact O-CG 3.31Å; L93-K97 PolarHBondContact O-N 3.45Å; L94-K97 PolarHBondContact O-N 3.03Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 3.14Å; K97-S100 WeakPolarHBondContact CA-OG 3.41Å; K97-S100 PolarHBondContact O-N 3.26Å; K97-S100 PolarHBondContact O-OG 3.2Å; K97-G101 PolarHBondContact O-N 3.03Å; K97-H102 HydrophobicContact CB-CB 4.27Å; K97-H102 WeakPolarHBondContact O-CB 3.42Å; K97-H102 PolarHBondContact O-N 2.92Å; K97-H102 PolarHBondContact O-ND1 3.07Å; K97-V104 HydrophobicContact CB-CG1 3.6Å
98L94.5Very high95.7Very high3 Ų39.6 Ų9.62%0.0165%0.054CC..Hα-helixtrans-58.1-50.6170.4-76168.4000111.5F53 Q57 L94 R95 S100 G101 V104 I158 L844 S848F53-L98 HydrophobicContact CE1-CD1 4.2Å; F53-L98 HydrophobicContact CE1-CD2 4.3Å; Q57-L98 HydrophobicContact CB-CD2 4.48Å; Q57-L98 HydrophobicContact CG-CD2 3.79Å; L94-L98 PolarHBondContact O-N 3.12Å; R95-L98 PolarHBondContact O-N 2.91Å; L98-S100 PolarHBondContact O-N 2.8Å; L98-G101 PolarHBondContact O-N 2.91Å; L98-V104 HydrophobicContact CD1-CG2 3.81Å; L98-V104 HydrophobicContact CD2-CB 4.43Å; L98-V104 HydrophobicContact CD2-CG1 4.07Å; L98-V104 HydrophobicContact CD2-CG2 3.75Å; L98-V104 HydrophobicContact CG-CB 4.34Å; L98-V104 HydrophobicContact CG-CG1 3.78Å; L98-V104 HydrophobicContact CG-CG2 3.6Å; L98-I158 HydrophobicContact CD1-CD1 3.47Å; L98-I158 VanDerWaalsContact CD1-CD1 3.47Å; L98-L844 HydrophobicContact CB-CD1 4.3Å; L98-L844 HydrophobicContact CD1-CD2 4.14Å; L98-S848 PolarHBondContact O-OG 3.17Å
99L94Very high95.7Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-62.3-27179-70.3174.6000112.5R95 L96 G101 P813 L844 Y847 S865 W867R95-L99 WeakPolarHBondContact O-CB 3.49Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 2.93Å; L96-L99 PolarHBondContact O-N 3.4Å; L99-G101 VanDerWaalsContact C-N 3.3Å; L99-P813 HydrophobicContact CD1-CG 3.5Å; L99-P813 VanDerWaalsContact CD1-CG 3.5Å; L99-L844 HydrophobicContact CD2-CD1 3.9Å; L99-L844 HydrophobicContact CG-CD1 3.98Å; L99-Y847 HydrophobicContact CD2-CD2 4.15Å; L99-Y847 HydrophobicContact CD2-CG 4.21Å; L99-S865 WeakPolarHBondContact O-CB 3.3Å; L99-S865 PolarHBondContact O-OG 3.18Å; L99-W867 HydrophobicContact CB-CB 4.46Å; L99-W867 HydrophobicContact CB-CD2 3.83Å; L99-W867 HydrophobicContact CB-CE3 4.14Å; L99-W867 HydrophobicContact CB-CG 4Å; L99-W867 HydrophobicContact CD2-CB 4.43Å; L99-W867 HydrophobicContact CD2-CG 4.2Å; L99-W867 WeakPolarHBondContact O-CB 3.46Å; L99-W867 VanDerWaalsContact O-CE3 3.26Å
100S91Very high95.7Very high29 Ų299.7 Ų9.720%0.2035%0.054CC..THydrogen-bonded Turntrans-9010.9175.541.70000113.6L96 K97 L98 P863L96-S100 WeakPolarHBondContact O-CB 3.31Å; L96-S100 PolarHBondContact O-N 3.04Å; L96-S100 PolarHBondContact O-OG 3.37Å; K97-S100 WeakPolarHBondContact CA-OG 3.41Å; K97-S100 PolarHBondContact O-N 3.26Å; K97-S100 PolarHBondContact O-OG 3.2Å; L98-S100 PolarHBondContact O-N 2.8Å; S100-P863 CarbonylContact O-C 3.57Å
101G89.4Confident95.6Very high20 Ų209.8 Ų9.821%0.2066%0.055CC..THydrogen-bonded Turntrans89.414.3172.600000115.4K97 L98 L99 C864K97-G101 PolarHBondContact O-N 3.03Å; L98-G101 PolarHBondContact O-N 2.91Å; L99-G101 VanDerWaalsContact C-N 3.3Å; G101-C864 WeakPolarHBondContact CA-O 3.33Å
102H91.4Very high95.5Very high36 Ų369.8 Ų9.817%0.1676%0.055CC..  trans-85.7148.1171.3-57.768.4000110.3H64 F66 K97 P863H64-H102 WeakPolarHBondContact O-CA 3.48Å; F66-H102 HydrophobicContact CB-CB 4.14Å; K97-H102 HydrophobicContact CB-CB 4.27Å; K97-H102 WeakPolarHBondContact O-CB 3.42Å; K97-H102 PolarHBondContact O-N 2.92Å; K97-H102 PolarHBondContact O-ND1 3.07Å; H102-P863 WeakPolarHBondContact CE1-CG 3.38Å; H102-P863 WeakPolarHBondContact NE2-CG 3.23Å
103S92Very high95.3Very high8 Ų89.8 Ų9.86%0.0566%0.055CC..EExtended strand (participates in β ladder)trans-79.5136155.4175.20000108.6Q57 H64 K65 F66Q57-S103 VanDerWaalsContact OE1-CA 3.23Å; Q57-S103 PolarHBondContact OE1-OG 2.93Å; H64-S103 PolarHBondContact O-N 2.85Å; K65-S103 CarbonylContact C-O 3.56Å; K65-S103 WeakPolarHBondContact CA-O 3.37Å; F66-S103 PolarHBondContact N-O 3.11Å
104V94.3Very high94.9Very high0 Ų09.6 Ų9.60%06%0.056CC..EExtended strand (participates in β ladder)trans-115.6135.7-177.6-51.50000111.3Y54 Q57 L58 F66 L94 K97 L98Y54-V104 HydrophobicContact CD2-CG2 4.48Å; Y54-V104 HydrophobicContact CE2-CG2 4.08Å; Q57-V104 PolarHBondContact NE2-O 2.82Å; Q57-V104 VanDerWaalsContact OE1-N 3.08Å; L58-V104 WeakPolarHBondContact CD2-O 3.34Å; F66-V104 HydrophobicContact CB-CG1 4.28Å; F66-V104 HydrophobicContact CD1-CG1 4.31Å; F66-V104 CarbonylContact O-C 3.53Å; F66-V104 VanDerWaalsContact O-CA 3.3Å; F66-V104 WeakPolarHBondContact O-CA 3.35Å; L94-V104 HydrophobicContact CD2-CB 4.04Å; L94-V104 HydrophobicContact CD2-CG2 4.11Å; K97-V104 HydrophobicContact CB-CG1 3.6Å; L98-V104 HydrophobicContact CD1-CG2 3.81Å; L98-V104 HydrophobicContact CD2-CB 4.43Å; L98-V104 HydrophobicContact CD2-CG1 4.07Å; L98-V104 HydrophobicContact CD2-CG2 3.75Å; L98-V104 HydrophobicContact CG-CB 4.34Å; L98-V104 HydrophobicContact CG-CG1 3.78Å; L98-V104 HydrophobicContact CG-CG2 3.6Å
105E93.7Very high94.2Very high8 Ų810.3 Ų10.34%0.0376%0.06CC..EExtended strand (participates in β ladder)trans-112.8118.9169.4-171.917067.800109L58 F66 I67 L68 I107 S568 R569 R575L58-E105 HydrophobicContact CD2-CB 4.26Å; F66-E105 PolarHBondContact O-N 2.82Å; I67-E105 HydrophobicContact CG1-CB 4.48Å; L68-E105 PolarHBondContact N-O 2.99Å; L68-E105 VanDerWaalsContact N-O 3.13Å; E105-I107 HydrophobicContact CG-CD1 4.07Å; E105-I107 HydrophobicContact CG-CG1 4.04Å; E105-S568 PolarHBondContact OE1-OG 3.23Å; E105-S568 PolarHBondContact OE2-OG 3.11Å; E105-R569 PolarHBondContact OE2-N 3.32Å; E105-R575 IonicContact OE1-NH1 2.67Å; E105-R575 PolarHBondContact OE1-NH1 3.19Å; E105-R575 VanDerWaalsContact OE1-NH1 3.15Å
106Y97.1Very high93.7Very high0 Ų010.6 Ų10.60%06%0.062CC..EExtended strand (participates in β ladder)trans-137.9112.6174.4174.3-115.3000109.4Y54 L68 D70 K87 K90 L94 P108 I157 I158 S160Y54-Y106 PolarHBondContact OH-N 3.33Å; Y54-Y106 PolarHBondContact OH-O 2.96Å; L68-Y106 HydrophobicContact CB-CD2 4.34Å; L68-Y106 HydrophobicContact CD2-CD2 3.53Å; L68-Y106 HydrophobicContact CD2-CE2 3.59Å; L68-Y106 HydrophobicContact CG-CD2 4.48Å; D70-Y106 HydrophobicContact CB-CD2 4.22Å; D70-Y106 HydrophobicContact CB-CE2 3.56Å; D70-Y106 PolarHBondContact OD1-OH 3Å; K87-Y106 WeakPolarHBondContact CD-OH 3.27Å; K87-Y106 PolarHBondContact NZ-OH 2.78Å; K90-Y106 HydrophobicContact CD-CE2 4.16Å; L94-Y106 HydrophobicContact CD1-CD1 3.52Å; L94-Y106 HydrophobicContact CD1-CD2 3.97Å; L94-Y106 HydrophobicContact CD1-CE1 4.09Å; L94-Y106 HydrophobicContact CD1-CE2 4.49Å; L94-Y106 HydrophobicContact CD1-CG 3.43Å; L94-Y106 VanDerWaalsContact CD1-CG 3.43Å; L94-Y106 HydrophobicContact CD2-CG 4.38Å; Y106-P108 HydrophobicContact CD1-CG 4.19Å; Y106-P108 HydrophobicContact CE1-CG 3.8Å; Y106-P108 WeakPolarHBondContact O-CD 3.46Å; Y106-I157 HydrophobicContact CE1-CG2 4.06Å; Y106-I158 WeakPolarHBondContact CD1-O 3.1Å; Y106-I158 WeakPolarHBondContact CE1-O 3.49Å; Y106-S160 PolarHBondContact O-N 3.22Å
107I96.9Very high93.4Very high8 Ų89.9 Ų9.94%0.0416%0.059CC..EExtended strand (participates in β ladder)trans-113.1101.4-176-54.4175.6000106.7D70 E105 G163 Y165 V561D70-I107 WeakPolarHBondContact CB-O 3.31Å; E105-I107 HydrophobicContact CG-CD1 4.07Å; E105-I107 HydrophobicContact CG-CG1 4.04Å; I107-G163 VanDerWaalsContact CG2-O 3.24Å; I107-G163 WeakPolarHBondContact CG2-O 3.48Å; I107-Y165 HydrophobicContact CG2-CD1 4Å; I107-Y165 WeakPolarHBondContact O-CE1 3.36Å; I107-V561 HydrophobicContact CB-CG1 4.01Å; I107-V561 HydrophobicContact CD1-CG1 3.9Å; I107-V561 HydrophobicContact CG2-CG1 3.92Å
108P97.8Very high93.2Very high0 Ų07.9 Ų7.90%05%0.05CC..  trans-63.6144.9177.4-18.731000110.7D70 Y106 W110 W161 C164 Y165D70-P108 VanDerWaalsContact OD2-CA 3.32Å; D70-P108 WeakPolarHBondContact OD2-CA 3.4Å; Y106-P108 HydrophobicContact CD1-CG 4.19Å; Y106-P108 HydrophobicContact CE1-CG 3.8Å; Y106-P108 WeakPolarHBondContact O-CD 3.46Å; P108-W110 HydrophobicContact CB-CH2 4.44Å; P108-W161 HydrophobicContact CB-CE3 4.31Å; P108-W161 HydrophobicContact CB-CH2 4.18Å; P108-W161 HydrophobicContact CB-CZ3 3.76Å; P108-W161 HydrophobicContact CG-CD2 4.37Å; P108-W161 HydrophobicContact CG-CE3 3.91Å; P108-W161 HydrophobicContact CG-CH2 3.84Å; P108-W161 HydrophobicContact CG-CZ2 4.3Å; P108-W161 HydrophobicContact CG-CZ3 3.64Å; P108-C164 VanDerWaalsContact O-CA 3.27Å; P108-C164 WeakPolarHBondContact O-CA 3.41Å; P108-C164 VanDerWaalsContact O-CB 3.31Å; P108-C164 WeakPolarHBondContact O-CB 3.48Å; P108-Y165 PolarHBondContact O-N 3.45Å; P108-Y165 VanDerWaalsContact O-N 3.08Å
109G97.6Very high92.8Very high0 Ų010.6 Ų10.60%06%0.064CC..EExtended strand (participates in β ladder)trans-145.4-176.1173.300000115.6D70 P73 Y165D70-G109 PolarHBondContact OD2-N 3.38Å; P73-G109 VanDerWaalsContact CD-O 3.24Å; P73-G109 WeakPolarHBondContact CD-O 3.45Å; G109-Y165 CarbonylContact C-O 3.59Å; G109-Y165 VanDerWaalsContact CA-CE1 3.42Å; G109-Y165 WeakPolarHBondContact CA-O 3.43Å
110W98.3Very high92.5Very high2 Ų214.5 Ų14.51%0.0088%0.081CC..EExtended strand (participates in β ladder)trans-143.8141.5-175-73.9-90.7000112P72 P73 A75 P108 V145 K149 F152 W161 C164 Y165 T167P72-W110 VanDerWaalsContact CB-C 3.5Å; P73-W110 WeakPolarHBondContact O-CA 3.38Å; A75-W110 HydrophobicContact CB-CB 4.47Å; P108-W110 HydrophobicContact CB-CH2 4.44Å; W110-V145 HydrophobicContact CB-CG2 3.82Å; W110-V145 HydrophobicContact CD2-CB 4.36Å; W110-V145 HydrophobicContact CD2-CG1 3.87Å; W110-V145 HydrophobicContact CD2-CG2 4.12Å; W110-V145 HydrophobicContact CE3-CG1 3.86Å; W110-V145 HydrophobicContact CG-CB 4.38Å; W110-V145 HydrophobicContact CG-CG1 4.33Å; W110-V145 HydrophobicContact CG-CG2 3.69Å; W110-V145 HydrophobicContact CZ3-CG1 4.23Å; W110-K149 HydrophobicContact CH2-CB 3.64Å; W110-K149 HydrophobicContact CH2-CD 4.2Å; W110-K149 HydrophobicContact CH2-CG 3.92Å; W110-K149 HydrophobicContact CZ2-CB 3.69Å; W110-K149 HydrophobicContact CZ2-CG 4.44Å; W110-F152 HydrophobicContact CZ2-CD2 4.15Å; W110-F152 HydrophobicContact CZ2-CE2 4.23Å; W110-W161 HydrophobicContact CH2-CZ3 4.22Å; W110-C164 HydrophobicContact CE3-CB 4.38Å; W110-C164 HydrophobicContact CZ3-CB 3.62Å; W110-Y165 PolarHBondContact N-O 2.96Å; W110-Y165 VanDerWaalsContact N-O 3.15Å; W110-T167 PolarHBondContact O-N 3.4Å; W110-T167 VanDerWaalsContact O-N 3.12Å
111D96.6Very high92.5Very high2 Ų213.8 Ų13.81%0.0118%0.077CC..BIsolated β-bridgetrans-93.2109.8170.9-173.72.9000107.3P72 P73 Y74 A75 H113 T167P72-D111 HydrophobicContact CB-CB 4.23Å; P72-D111 HydrophobicContact CG-CB 4.32Å; P73-D111 PolarHBondContact O-N 2.99Å; Y74-D111 WeakPolarHBondContact CA-O 3.39Å; Y74-D111 HydrophobicContact CD1-CB 4.42Å; Y74-D111 HydrophobicContact CE1-CB 4.4Å; Y74-D111 VanDerWaalsContact CE1-OD2 3.29Å; Y74-D111 WeakPolarHBondContact CE1-OD2 3.42Å; Y74-D111 PolarHBondContact OH-OD2 3.33Å; A75-D111 PolarHBondContact N-O 3.45Å; D111-H113 PolarHBondContact OD1-N 3.35Å; D111-T167 PolarHBondContact OD1-OG1 2.71Å
112C96.7Very high92.4Very high0 Ų014.3 Ų14.30%08%0.076CC..  trans-108.61.1-169.6-71.40000113I117 A141 S166 T167 M168 W480C112-I117 WeakPolarHBondContact O-CD1 3.43Å; C112-A141 HydrophobicContact CB-CB 4.01Å; C112-S166 PolarHBondContact SG-OG 3.31Å; C112-T167 PolarHBondContact N-OG1 2.66Å; C112-M168 HydrophobicContact CB-CB 4.04Å; C112-M168 HydrophobicContact CB-CG 4.21Å; C112-M168 HydrophobicContact CB-SD 3.65Å; C112-W480 VanDerWaalsContact O-CE2 3.27Å; C112-W480 WeakPolarHBondContact O-CZ2 3.25Å; C112-W480 PolarHBondContact O-NE1 2.86Å
113H94.1Very high92Very high1 Ų118.5 Ų18.51%0.00510%0.096CC..  trans-105.9173.2-179.6-65.5143.6000113.8D111 T167 E173 W480 V482 V550 D553D111-H113 PolarHBondContact OD1-N 3.35Å; H113-T167 VanDerWaalsContact CE1-C 3.48Å; H113-T167 PolarHBondContact CE1-O 2.87Å; H113-E173 IonicContact CE1-OE1 3.51Å; H113-E173 IonicContact NE2-OE1 3.88Å; H113-W480 AromaticContact CD2-CE2 3.81Å; H113-W480 AromaticContact CD2-CZ2 3.79Å; H113-V482 VanDerWaalsContact CE1-CG2 3.43Å; H113-V482 WeakPolarHBondContact CE1-CG2 3.12Å; H113-V550 HydrophobicContact CB-CG1 4.44Å; H113-D553 WeakPolarHBondContact CB-OD2 3.3Å; H113-D553 IonicContact CE1-OD2 2.66Å; H113-D553 IonicContact CG-OD2 3.79Å; H113-D553 IonicContact ND1-OD2 3.15Å; H113-D553 PolarHBondContact ND1-OD2 3.2Å
114G89.1Confident91.3Very high9 Ų925.6 Ų25.69%0.09313%0.133CC..SBendtrans89.9179.3166.100000117.4P116 I117 E118 W480 V550G114-P116 VanDerWaalsContact C-CD 3.41Å; G114-I117 PolarHBondContact O-N 3.18Å; G114-E118 PolarHBondContact O-N 3.5Å; G114-E118 VanDerWaalsContact O-N 3.17Å; G114-W480 PolarHBondContact N-O 3.08Å; G114-V550 VanDerWaalsContact CA-CG1 3.43Å
115L85.1Confident90.7Very high14 Ų1430 Ų307%0.07316%0.156CC..Hα-helixtrans-53.5-41.7-169.9-17665.6000114.8I117 E118 L119 T202 R420 R478L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.02Å; L115-E118 PolarHBondContact O-N 3.41Å; L115-L119 HydrophobicContact CD1-CD1 3.74Å; L115-L119 HydrophobicContact CD1-CD2 4.1Å; L115-L119 HydrophobicContact CD1-CG 3.63Å; L115-L119 HydrophobicContact CD2-CD1 4.29Å; L115-L119 HydrophobicContact CG-CD1 3.74Å; L115-L119 HydrophobicContact CG-CG 4.04Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 2.89Å; L115-T202 HydrophobicContact CD1-CG2 4.24Å; L115-T202 HydrophobicContact CD2-CG2 4.39Å; L115-R420 HydrophobicContact CD2-CB 4.45Å; L115-R420 HydrophobicContact CD2-CG 4.46Å; L115-R478 VanDerWaalsContact CD1-NH1 3.28Å
116P85.4Confident89.8Confident10 Ų1038 Ų387%0.06520%0.2CC..Hα-helixtrans-63.4-34-177.3-24.335.9000113.9Y74 N76 G114 K120 W419Y74-P116 HydrophobicContact CE1-CG 4.32Å; N76-P116 WeakPolarHBondContact ND2-CB 3.41Å; G114-P116 VanDerWaalsContact C-CD 3.41Å; P116-K120 WeakPolarHBondContact O-CB 3.42Å; P116-W419 HydrophobicContact CG-CZ2 4.39Å
117I91.6Very high88.6Confident0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-79.6-45.2178.9-66.2170000108.8A75 N76 C112 G114 L115 L119 K120 A121 A137 L140 A141A75-I117 HydrophobicContact CB-CD1 4.38Å; N76-I117 HydrophobicContact CB-CG1 3.83Å; C112-I117 WeakPolarHBondContact O-CD1 3.43Å; G114-I117 PolarHBondContact O-N 3.18Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.02Å; I117-L119 PolarHBondContact O-N 2.72Å; I117-K120 PolarHBondContact O-N 3.34Å; I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.1Å; I117-A121 PolarHBondContact O-N 3.41Å; I117-A137 HydrophobicContact CG2-CB 3.99Å; I117-A137 WeakPolarHBondContact CG2-O 3.35Å; I117-L140 HydrophobicContact CG2-CD2 4.23Å; I117-A141 HydrophobicContact CD1-CB 4.32Å; I117-A141 HydrophobicContact CG2-CB 4.35Å
118E90.5Very high87.3Confident16 Ų1645.3 Ų45.38%0.07525%0.248CC..Hα-helixtrans-56.4-53.6179.4-159.5-175.6115.300111.7G114 L115 K120 A121 V122 T133 R478 A479 W480G114-E118 PolarHBondContact O-N 3.5Å; G114-E118 VanDerWaalsContact O-N 3.17Å; L115-E118 PolarHBondContact O-N 3.41Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 2.92Å; E118-A121 PolarHBondContact O-N 2.76Å; E118-A121 VanDerWaalsContact O-N 3.14Å; E118-V122 WeakPolarHBondContact O-CG2 3.22Å; E118-V122 PolarHBondContact O-N 3.3Å; E118-V122 VanDerWaalsContact O-N 3.09Å; E118-T133 HydrophobicContact CG-CG2 3.43Å; E118-T133 VanDerWaalsContact CG-CG2 3.43Å; E118-R478 VanDerWaalsContact CD-NH2 3.34Å; E118-R478 IonicContact OE1-CZ 3.8Å; E118-R478 IonicContact OE1-NE 3.4Å; E118-R478 PolarHBondContact OE1-NE 2.86Å; E118-R478 IonicContact OE1-NH2 2.89Å; E118-R478 PolarHBondContact OE1-NH2 3.36Å; E118-R478 IonicContact OE2-NE 3.7Å; E118-R478 PolarHBondContact OE2-NE 2.82Å; E118-R478 IonicContact OE2-NH2 2.63Å; E118-A479 PolarHBondContact OE2-N 2.89Å; E118-W480 HydrophobicContact CB-CB 4.05Å; E118-W480 HydrophobicContact CG-CB 3.94Å; E118-W480 WeakPolarHBondContact OE2-CB 3.42Å; E118-W480 PolarHBondContact OE2-N 3.29Å
119L86.1Confident86.8Confident60 Ų6047.3 Ų47.331%0.31426%0.262SS..Hα-helixtrans-60.1-37.8-179.2-71.8178.2000112.8L115 I117 E123 R420L115-L119 HydrophobicContact CD1-CD1 3.74Å; L115-L119 HydrophobicContact CD1-CD2 4.1Å; L115-L119 HydrophobicContact CD1-CG 3.63Å; L115-L119 HydrophobicContact CD2-CD1 4.29Å; L115-L119 HydrophobicContact CG-CD1 3.74Å; L115-L119 HydrophobicContact CG-CG 4.04Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 2.89Å; I117-L119 PolarHBondContact O-N 2.72Å; L119-E123 PolarHBondContact O-N 3.47Å; L119-E123 VanDerWaalsContact O-N 3.16Å; L119-R420 HydrophobicContact CD1-CB 4.23Å
120K88.3Confident86.3Confident81 Ų8150.5 Ų50.535%0.35228%0.283SS..Hα-helixtrans-75.5-31.1-179.9-172.2171.8-179.51770112.1N76 P116 I117 E118 L140N76-K120 VanDerWaalsContact O-CD 3.24Å; N76-K120 WeakPolarHBondContact O-CD 3.08Å; N76-K120 WeakPolarHBondContact O-CE 3.22Å; N76-K120 PolarHBondContact O-NZ 3.49Å; P116-K120 WeakPolarHBondContact O-CB 3.42Å; I117-K120 PolarHBondContact O-N 3.34Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 2.92Å; K120-L140 HydrophobicContact CB-CD2 3.76Å; K120-L140 HydrophobicContact CD-CD2 4.12Å; K120-L140 HydrophobicContact CG-CD2 3.81Å
121A89.7Confident85.9Confident14 Ų1456.5 Ų56.512%0.11631%0.31CS..Hα-helixtrans-72.2-35.5178.400000112I117 E118 L136 A137 L140I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.1Å; I117-A121 PolarHBondContact O-N 3.41Å; E118-A121 PolarHBondContact O-N 2.76Å; E118-A121 VanDerWaalsContact O-N 3.14Å; A121-L136 HydrophobicContact CB-CB 4.09Å; A121-A137 HydrophobicContact CB-CB 4.19Å; A121-L140 HydrophobicContact CB-CB 4.28Å; A121-L140 HydrophobicContact CB-CD2 4Å
122V87.4Confident85.6Confident32 Ų3261 Ų6119%0.19433%0.332CS..SBendtrans-94.32.9179-52.40000113.5E118 N124 L125 I127 T133E118-V122 WeakPolarHBondContact O-CG2 3.22Å; E118-V122 PolarHBondContact O-N 3.3Å; E118-V122 VanDerWaalsContact O-N 3.09Å; V122-N124 PolarHBondContact O-N 3.28Å; V122-L125 PolarHBondContact O-N 3.43Å; V122-I127 HydrophobicContact CB-CD1 4.32Å; V122-I127 HydrophobicContact CG1-CD1 4.03Å; V122-T133 HydrophobicContact CG1-CG2 3.99Å
123E83.4Confident85.4Confident124 Ų12461.7 Ų61.758%0.57934%0.336SS*.THydrogen-bonded Turntrans-58.5121.8-176.6-161.7179.6-172.200110.6L119 L125L119-E123 PolarHBondContact O-N 3.47Å; L119-E123 VanDerWaalsContact O-N 3.16Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.13Å
124N78.6Confident85.4Confident157 Ų15761.8 Ų61.884%0.8434%0.336SS*.THydrogen-bonded Turntrans68.318.4-175.6-45.2-66.4000115.8V122V122-N124 PolarHBondContact O-N 3.28Å
125L81.4Confident85.7Confident91 Ų9168 Ų6848%0.47636%0.36SS..  trans-115.3137175.5-56.2175.2000110.6V122 E123 I127 L136V122-L125 PolarHBondContact O-N 3.43Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.13Å; L125-I127 HydrophobicContact CB-CD1 3.64Å; L125-I127 HydrophobicContact CB-CG1 3.77Å; L125-I127 HydrophobicContact CD1-CD1 3.74Å; L125-I127 HydrophobicContact CG-CD1 4.33Å; L125-I127 PolarHBondContact O-N 2.98Å; L125-L136 HydrophobicContact CD1-CD1 3.78Å
126N75.4Confident86.1Confident178 Ų17869.6 Ų69.695%0.95237%0.369SS*.  trans-87.976.6172.1-88.9-7.8000109.7
127I70.7Confident86.6Confident39 Ų3969.1 Ų69.120%0.237%0.366CS..  trans-102.6132.5-178.3-62.7170.3000109.7V122 L125 E132 T133 L136V122-I127 HydrophobicContact CB-CD1 4.32Å; V122-I127 HydrophobicContact CG1-CD1 4.03Å; L125-I127 HydrophobicContact CB-CD1 3.64Å; L125-I127 HydrophobicContact CB-CG1 3.77Å; L125-I127 HydrophobicContact CD1-CD1 3.74Å; L125-I127 HydrophobicContact CG-CD1 4.33Å; L125-I127 PolarHBondContact O-N 2.98Å; I127-E132 HydrophobicContact CD1-CG 4.37Å; I127-E132 HydrophobicContact CG2-CB 4Å; I127-E132 HydrophobicContact CG2-CG 4.08Å; I127-T133 WeakPolarHBondContact CG2-OG1 3.46Å; I127-L136 HydrophobicContact CD1-CD1 3.14Å
128S69.8Low86.8Confident122 Ų12270.6 Ų70.685%0.85338%0.376SS*.  trans-118.2-12.5-178.446.70000114.2
129S86.7Confident87Confident42 Ų4274.3 Ų74.329%0.29440%0.396SS..  trans-101.5140.1-177.279.30000113E131 E132 T133S129-E131 VanDerWaalsContact C-N 3.32Å; S129-E131 PolarHBondContact O-N 2.97Å; S129-E132 WeakPolarHBondContact OG-CB 3.42Å; S129-E132 PolarHBondContact OG-N 3.11Å; S129-T133 PolarHBondContact O-N 3Å; S129-T133 PolarHBondContact O-OG1 3.35Å
130P87.3Confident87.5Confident67 Ų6772.8 Ų72.844%0.43539%0.388SS..Hα-helixtrans-59.5-40172.2-26.635.5000113.1T133 R134 A479 F518P130-T133 WeakPolarHBondContact O-CB 3.15Å; P130-T133 PolarHBondContact O-N 3.04Å; P130-R134 VanDerWaalsContact O-CG 3.23Å; P130-R134 WeakPolarHBondContact O-CG 3.5Å; P130-R134 PolarHBondContact O-N 3.35Å; P130-A479 HydrophobicContact CB-CB 3.95Å; P130-F518 HydrophobicContact CB-CD1 4.3Å
131E90Very high87.9Confident127 Ų12769 Ų6959%0.59337%0.371SS*.Hα-helixtrans-59.7-50.1-178.9-176.1-174.1168.300112S129 T133 R134 K135 T519S129-E131 VanDerWaalsContact C-N 3.32Å; S129-E131 PolarHBondContact O-N 2.97Å; E131-T133 VanDerWaalsContact C-N 3.32Å; E131-T133 PolarHBondContact O-N 3.1Å; E131-R134 PolarHBondContact O-N 3.28Å; E131-K135 PolarHBondContact O-N 3.18Å; E131-T519 HydrophobicContact CB-CG2 4.19Å; E131-T519 HydrophobicContact CG-CG2 3.8Å
132E91.4Very high88.3Confident97 Ų9773 Ų7345%0.45339%0.388SS..Hα-helixtrans-65.3-39179.6-171.9172.7-160.700111.5I127 S129 K135 L136I127-E132 HydrophobicContact CD1-CG 4.37Å; I127-E132 HydrophobicContact CG2-CB 4Å; I127-E132 HydrophobicContact CG2-CG 4.08Å; S129-E132 WeakPolarHBondContact OG-CB 3.42Å; S129-E132 PolarHBondContact OG-N 3.11Å; E132-K135 PolarHBondContact O-N 2.88Å; E132-L136 HydrophobicContact CG-CD1 4.43Å; E132-L136 WeakPolarHBondContact O-CG 3.36Å; E132-L136 PolarHBondContact O-N 3.25Å
133T92.2Very high88.7Confident14 Ų1477.6 Ų77.69%0.08641%0.405CS..Hα-helixtrans-59.4-48.6175.7-590000111.4E118 V122 I127 S129 P130 E131 L136 A137 A479E118-T133 HydrophobicContact CG-CG2 3.43Å; E118-T133 VanDerWaalsContact CG-CG2 3.43Å; V122-T133 HydrophobicContact CG1-CG2 3.99Å; I127-T133 WeakPolarHBondContact CG2-OG1 3.46Å; S129-T133 PolarHBondContact O-N 3Å; S129-T133 PolarHBondContact O-OG1 3.35Å; P130-T133 WeakPolarHBondContact O-CB 3.15Å; P130-T133 PolarHBondContact O-N 3.04Å; E131-T133 VanDerWaalsContact C-N 3.32Å; E131-T133 PolarHBondContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 2.79Å; T133-A137 VanDerWaalsContact O-CB 3.31Å; T133-A137 WeakPolarHBondContact O-CB 3.46Å; T133-A137 PolarHBondContact O-N 3.42Å; T133-A479 HydrophobicContact CG2-CB 4.03Å
134R94.3Very high89.4Confident3 Ų372.3 Ų72.31%0.01138%0.38CS..Hα-helixtrans-62.6-44.6179.3-69.2176.962.482.32.1111.8P130 E131 L136 A137 S138 A479 W480 G481 S514 D515 F518P130-R134 VanDerWaalsContact O-CG 3.23Å; P130-R134 WeakPolarHBondContact O-CG 3.5Å; P130-R134 PolarHBondContact O-N 3.35Å; E131-R134 PolarHBondContact O-N 3.28Å; R134-L136 PolarHBondContact O-N 3.49Å; R134-A137 PolarHBondContact O-N 3.39Å; R134-S138 WeakPolarHBondContact O-CB 3.41Å; R134-S138 PolarHBondContact O-N 2.96Å; R134-A479 WeakPolarHBondContact CD-O 3.48Å; R134-A479 HydrophobicContact CG-CB 4.32Å; R134-A479 WeakPolarHBondContact CG-O 3.18Å; R134-A479 PolarHBondContact NH1-O 3.35Å; R134-W480 HydrophobicContact CB-CE3 3.81Å; R134-W480 HydrophobicContact CB-CZ3 4.08Å; R134-W480 HydrophobicContact CG-CE3 3.95Å; R134-W480 WeakPolarHBondContact O-CZ3 3.47Å; R134-G481 PolarHBondContact NH1-O 3.45Å; R134-S514 PolarHBondContact NH2-OG 3.11Å; R134-D515 IonicContact CZ-OD1 3.67Å; R134-D515 IonicContact NE-OD1 3.53Å; R134-D515 PolarHBondContact NE-OD1 3.08Å; R134-D515 IonicContact NH2-OD1 2.85Å; R134-D515 PolarHBondContact NH2-OD1 3.04Å; R134-F518 VanDerWaalsContact CZ-CE2 3.47Å
135K94.3Very high90.3Very high139 Ų13966 Ų6660%0.60435%0.347SS*.Hα-helixtrans-58.6-46.8177.8-176.4177.4-179.21770112.2E131 E132 L139E131-K135 PolarHBondContact O-N 3.18Å; E132-K135 PolarHBondContact O-N 2.88Å; K135-L139 HydrophobicContact CG-CD1 4.39Å; K135-L139 WeakPolarHBondContact O-CG 3.29Å; K135-L139 PolarHBondContact O-N 3.46Å; K135-L139 VanDerWaalsContact O-N 3.12Å
136L94.5Very high91.1Very high49 Ų4969.1 Ų69.126%0.25736%0.357SS..Hα-helixtrans-68.6-39.3179-68.7175.7000112.5A121 L125 I127 E132 T133 R134 L139 L140A121-L136 HydrophobicContact CB-CB 4.09Å; L125-L136 HydrophobicContact CD1-CD1 3.78Å; I127-L136 HydrophobicContact CD1-CD1 3.14Å; E132-L136 HydrophobicContact CG-CD1 4.43Å; E132-L136 WeakPolarHBondContact O-CG 3.36Å; E132-L136 PolarHBondContact O-N 3.25Å; T133-L136 PolarHBondContact O-N 2.79Å; R134-L136 PolarHBondContact O-N 3.49Å; L136-L139 PolarHBondContact O-N 2.91Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 2.71Å
137A95Very high92.1Very high0 Ų063.1 Ų63.10%033%0.327CS..Hα-helixtrans-62.7-44.617700000111.7I117 A121 T133 R134 L140 A141 W480I117-A137 HydrophobicContact CG2-CB 3.99Å; I117-A137 WeakPolarHBondContact CG2-O 3.35Å; A121-A137 HydrophobicContact CB-CB 4.19Å; T133-A137 VanDerWaalsContact O-CB 3.31Å; T133-A137 WeakPolarHBondContact O-CB 3.46Å; T133-A137 PolarHBondContact O-N 3.42Å; R134-A137 PolarHBondContact O-N 3.39Å; A137-L140 PolarHBondContact O-N 3.44Å; A137-A141 WeakPolarHBondContact O-CB 3.23Å; A137-A141 PolarHBondContact O-N 3.01Å; A137-W480 HydrophobicContact CB-CB 4.11Å; A137-W480 HydrophobicContact CB-CD2 3.4Å; A137-W480 HydrophobicContact CB-CE3 3.97Å; A137-W480 HydrophobicContact CB-CG 3.45Å; A137-W480 VanDerWaalsContact CB-CG 3.45Å; A137-W480 HydrophobicContact CB-CZ2 4.33Å
138S95.5Very high93.3Very high30 Ų3061.5 Ų61.521%0.2132%0.318CS..Hα-helixtrans-57.6-50.8173.7-177.10000112.1R134 L140 A141 E142R134-S138 WeakPolarHBondContact O-CB 3.41Å; R134-S138 PolarHBondContact O-N 2.96Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.97Å; S138-A141 PolarHBondContact O-N 2.7Å; S138-A141 VanDerWaalsContact O-N 3.15Å; S138-E142 WeakPolarHBondContact O-CG 3.41Å; S138-E142 PolarHBondContact O-N 3.41Å
139L96Very high94.6Very high94 Ų9458.3 Ų58.349%0.49229%0.289SS..Hα-helixtrans-60.4-37.6178.3-71.9171.3000112.8K135 L136 K143K135-L139 HydrophobicContact CG-CD1 4.39Å; K135-L139 WeakPolarHBondContact O-CG 3.29Å; K135-L139 PolarHBondContact O-N 3.46Å; K135-L139 VanDerWaalsContact O-N 3.12Å; L136-L139 PolarHBondContact O-N 2.91Å; L139-K143 WeakPolarHBondContact O-CB 3.35Å; L139-K143 PolarHBondContact O-N 3.5Å
140L95.6Very high95Very high29 Ų2959.3 Ų59.315%0.15229%0.294CS..Hα-helixtrans-66.7-45.3176.2-172.674.4000111.2I117 K120 A121 L136 A137 S138 K143 F144I117-L140 HydrophobicContact CG2-CD2 4.23Å; K120-L140 HydrophobicContact CB-CD2 3.76Å; K120-L140 HydrophobicContact CD-CD2 4.12Å; K120-L140 HydrophobicContact CG-CD2 3.81Å; A121-L140 HydrophobicContact CB-CB 4.28Å; A121-L140 HydrophobicContact CB-CD2 4Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 2.71Å; A137-L140 PolarHBondContact O-N 3.44Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.97Å; L140-K143 WeakPolarHBondContact O-CB 3.32Å; L140-K143 PolarHBondContact O-N 2.76Å; L140-F144 HydrophobicContact CD1-CD2 4.24Å; L140-F144 HydrophobicContact CD1-CE2 3.7Å; L140-F144 HydrophobicContact CG-CD2 4.08Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 WeakPolarHBondContact O-CD2 3.32Å; L140-F144 PolarHBondContact O-N 2.95Å
141A97Very high95.3Very high0 Ų057.6 Ų57.60%028%0.283CS..Hα-helixtrans-60.4-51.5177.800000110.8A75 C112 I117 A137 S138 K143 F144 V145 M168A75-A141 HydrophobicContact CB-CB 4.15Å; C112-A141 HydrophobicContact CB-CB 4.01Å; I117-A141 HydrophobicContact CD1-CB 4.32Å; I117-A141 HydrophobicContact CG2-CB 4.35Å; A137-A141 WeakPolarHBondContact O-CB 3.23Å; A137-A141 PolarHBondContact O-N 3.01Å; S138-A141 PolarHBondContact O-N 2.7Å; S138-A141 VanDerWaalsContact O-N 3.15Å; A141-K143 VanDerWaalsContact C-N 3.28Å; A141-K143 PolarHBondContact O-N 3.42Å; A141-F144 PolarHBondContact O-N 3.1Å; A141-V145 WeakPolarHBondContact O-CG2 3.27Å; A141-V145 PolarHBondContact O-N 3.37Å; A141-M168 HydrophobicContact CB-SD 4.16Å
142E97.2Very high95.6Very high98 Ų9851.6 Ų51.646%0.45826%0.255SS..Hα-helixtrans-53.4-43.3177.5-74.9-177.8167.500112.9S138 F144 V145 K146 M168S138-E142 WeakPolarHBondContact O-CG 3.41Å; S138-E142 PolarHBondContact O-N 3.41Å; E142-F144 PolarHBondContact O-N 3.28Å; E142-V145 PolarHBondContact O-N 3.11Å; E142-K146 WeakPolarHBondContact O-CB 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; E142-M168 HydrophobicContact CG-CE 3.51Å
143K97.3Very high95.7Very high130 Ų13049.4 Ų49.457%0.56525%0.245SC*.Hα-helixtrans-59.3-46.7176.8175.9-174.7174.8-178.90111.6L139 L140 A141 T147L139-K143 WeakPolarHBondContact O-CB 3.35Å; L139-K143 PolarHBondContact O-N 3.5Å; L140-K143 WeakPolarHBondContact O-CB 3.32Å; L140-K143 PolarHBondContact O-N 2.76Å; A141-K143 VanDerWaalsContact C-N 3.28Å; A141-K143 PolarHBondContact O-N 3.42Å; K143-T147 PolarHBondContact O-N 3.28Å; K143-T147 VanDerWaalsContact O-N 3.14Å; K143-T147 PolarHBondContact O-OG1 3.03Å
144F97.1Very high95.7Very high13 Ų1352.2 Ų52.26%0.05726%0.259CS..Hα-helixtrans-74.4-38.3-179.2-76.8-60.8000112.1A75 N76 G77 L140 A141 E142 K146 T147 Q148A75-F144 HydrophobicContact CB-CB 4.35Å; A75-F144 WeakPolarHBondContact O-CB 3.12Å; A75-F144 WeakPolarHBondContact O-CD2 3.29Å; N76-F144 VanDerWaalsContact C-CD2 3.45Å; N76-F144 WeakPolarHBondContact O-CE2 3.42Å; G77-F144 VanDerWaalsContact C-CD1 3.5Å; G77-F144 VanDerWaalsContact CA-CE1 3.43Å; G77-F144 WeakPolarHBondContact O-CD1 3.34Å; L140-F144 HydrophobicContact CD1-CD2 4.24Å; L140-F144 HydrophobicContact CD1-CE2 3.7Å; L140-F144 HydrophobicContact CG-CD2 4.08Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 WeakPolarHBondContact O-CD2 3.32Å; L140-F144 PolarHBondContact O-N 2.95Å; A141-F144 PolarHBondContact O-N 3.1Å; E142-F144 PolarHBondContact O-N 3.28Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.25Å; F144-T147 PolarHBondContact O-N 2.95Å; F144-Q148 VanDerWaalsContact O-CB 3.25Å; F144-Q148 WeakPolarHBondContact O-CB 3.27Å; F144-Q148 WeakPolarHBondContact O-CG 3.3Å; F144-Q148 PolarHBondContact O-N 3.14Å
145V97.8Very high95.6Very high24 Ų2452.7 Ų52.715%0.14526%0.261CS..Hα-helixtrans-51-52.2170.3170.50000109.8A75 W110 A141 E142 T147 K149A75-V145 HydrophobicContact CB-CG2 3.79Å; W110-V145 HydrophobicContact CB-CG2 3.82Å; W110-V145 HydrophobicContact CD2-CB 4.36Å; W110-V145 HydrophobicContact CD2-CG1 3.87Å; W110-V145 HydrophobicContact CD2-CG2 4.12Å; W110-V145 HydrophobicContact CE3-CG1 3.86Å; W110-V145 HydrophobicContact CG-CB 4.38Å; W110-V145 HydrophobicContact CG-CG1 4.33Å; W110-V145 HydrophobicContact CG-CG2 3.69Å; W110-V145 HydrophobicContact CZ3-CG1 4.23Å; A141-V145 WeakPolarHBondContact O-CG2 3.27Å; A141-V145 PolarHBondContact O-N 3.37Å; E142-V145 PolarHBondContact O-N 3.11Å; V145-T147 PolarHBondContact O-N 2.96Å; V145-K149 WeakPolarHBondContact O-CB 3.48Å; V145-K149 PolarHBondContact O-N 2.89Å
146K97.1Very high95.6Very high157 Ų15746.1 Ų46.168%0.68323%0.233SC*.Hα-helixtrans-60.7-43.4-179.9-174.4176-179.1176.30113.1E142 F144 T150E142-K146 WeakPolarHBondContact O-CB 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.25Å; K146-T150 PolarHBondContact O-N 3.38Å; K146-T150 PolarHBondContact O-OG1 2.84Å
147T96.7Very high95.7Very high51 Ų5143.9 Ų43.931%0.31322%0.221SC..Hα-helixtrans-72.3-44.2-176.5-53.60000111.7K143 F144 V145 S151K143-T147 PolarHBondContact O-N 3.28Å; K143-T147 VanDerWaalsContact O-N 3.14Å; K143-T147 PolarHBondContact O-OG1 3.03Å; F144-T147 PolarHBondContact O-N 2.95Å; V145-T147 PolarHBondContact O-N 2.96Å; T147-S151 PolarHBondContact O-N 2.99Å; T147-S151 VanDerWaalsContact O-N 3.12Å; T147-S151 PolarHBondContact O-OG 3.22Å
148Q97.6Very high95.8Very high5 Ų543.9 Ų43.92%0.02322%0.221CC..Hα-helixtrans-66.3-42.4177.5-66.3179100111.1Y74 G77 L79 F144 S151 F152Y74-Q148 PolarHBondContact O-NE2 3.38Å; G77-Q148 PolarHBondContact O-NE2 3.14Å; L79-Q148 HydrophobicContact CD1-CB 4.21Å; L79-Q148 HydrophobicContact CD1-CG 4.41Å; L79-Q148 HydrophobicContact CD2-CB 4.1Å; L79-Q148 HydrophobicContact CD2-CG 3.73Å; L79-Q148 HydrophobicContact CG-CB 4.23Å; L79-Q148 HydrophobicContact CG-CG 3.89Å; F144-Q148 VanDerWaalsContact O-CB 3.25Å; F144-Q148 WeakPolarHBondContact O-CB 3.27Å; F144-Q148 WeakPolarHBondContact O-CG 3.3Å; F144-Q148 PolarHBondContact O-N 3.14Å; Q148-S151 WeakPolarHBondContact O-CB 3.32Å; Q148-S151 PolarHBondContact O-N 3.19Å; Q148-F152 HydrophobicContact CB-CE2 4.3Å; Q148-F152 WeakPolarHBondContact O-CD2 3.35Å; Q148-F152 WeakPolarHBondContact O-CG 3.31Å; Q148-F152 PolarHBondContact O-N 3.38Å
149K96.7Very high95.8Very high56 Ų5642.5 Ų42.524%0.24321%0.212CC..Hα-helixtrans-55.5-52.4174.8-179.6175.1-178.7172.20112.2W110 V145 S151 F152 Q153 W161W110-K149 HydrophobicContact CH2-CB 3.64Å; W110-K149 HydrophobicContact CH2-CD 4.2Å; W110-K149 HydrophobicContact CH2-CG 3.92Å; W110-K149 HydrophobicContact CZ2-CB 3.69Å; W110-K149 HydrophobicContact CZ2-CG 4.44Å; V145-K149 WeakPolarHBondContact O-CB 3.48Å; V145-K149 PolarHBondContact O-N 2.89Å; K149-S151 VanDerWaalsContact C-N 3.27Å; K149-S151 PolarHBondContact O-N 3.39Å; K149-F152 PolarHBondContact O-N 2.59Å; K149-Q153 WeakPolarHBondContact O-CG 3.49Å; K149-Q153 PolarHBondContact O-N 3.15Å; K149-W161 WeakPolarHBondContact CE-O 3.35Å; K149-W161 HydrophobicContact CG-CE3 3.92Å; K149-W161 HydrophobicContact CG-CZ3 4.22Å; K149-W161 PolarHBondContact NZ-O 3.04Å
150T94.2Very high95.7Very high63 Ų6338.3 Ų38.339%0.38719%0.19SC..Hα-helixtrans-56.4-45176.9-57.60000110.7K146 F152 Q153 D154K146-T150 PolarHBondContact O-N 3.38Å; K146-T150 PolarHBondContact O-OG1 2.84Å; T150-F152 PolarHBondContact O-N 3.06Å; T150-Q153 PolarHBondContact O-N 3.46Å; T150-D154 WeakPolarHBondContact O-CB 3.26Å; T150-D154 VanDerWaalsContact O-CG 3.26Å; T150-D154 PolarHBondContact O-N 3.15Å
151S94.6Very high95.6Very high30 Ų3037.4 Ų37.421%0.2119%0.185CC..Hα-helixtrans-61.6-44.1179.1-59.30000112.5T147 Q148 K149 Q153 D154 W155T147-S151 PolarHBondContact O-N 2.99Å; T147-S151 VanDerWaalsContact O-N 3.12Å; T147-S151 PolarHBondContact O-OG 3.22Å; Q148-S151 WeakPolarHBondContact O-CB 3.32Å; Q148-S151 PolarHBondContact O-N 3.19Å; K149-S151 VanDerWaalsContact C-N 3.27Å; K149-S151 PolarHBondContact O-N 3.39Å; S151-Q153 PolarHBondContact O-N 2.91Å; S151-D154 PolarHBondContact O-N 2.8Å; S151-W155 PolarHBondContact O-N 2.63Å; S151-W155 PolarHBondContact O-NE1 3.45Å
152F96.1Very high95.3Very high1 Ų143.2 Ų43.20%0.00422%0.221CC..Hα-helixtrans-64.5-39.1176.7-63.9-39.3000112.4P73 L79 H83 K87 W110 Q148 K149 T150 W155 I157 W161P73-F152 HydrophobicContact CG-CE2 4.23Å; P73-F152 HydrophobicContact CG-CZ 4.37Å; L79-F152 HydrophobicContact CD1-CD1 3.79Å; L79-F152 HydrophobicContact CD1-CE1 3.39Å; L79-F152 HydrophobicContact CD1-CE2 4.47Å; L79-F152 HydrophobicContact CD1-CG 4.48Å; L79-F152 HydrophobicContact CD1-CZ 3.79Å; L79-F152 HydrophobicContact CD2-CE1 3.8Å; L79-F152 HydrophobicContact CD2-CE2 4.37Å; L79-F152 HydrophobicContact CD2-CZ 3.49Å; L79-F152 VanDerWaalsContact CD2-CZ 3.49Å; L79-F152 HydrophobicContact CG-CE1 4.22Å; L79-F152 HydrophobicContact CG-CZ 4.3Å; H83-F152 HydrophobicContact CB-CE1 4.28Å; K87-F152 HydrophobicContact CB-CD1 4.42Å; K87-F152 HydrophobicContact CD-CD1 4.43Å; K87-F152 HydrophobicContact CD-CE1 4.3Å; K87-F152 HydrophobicContact CD-CZ 4.41Å; K87-F152 HydrophobicContact CG-CD1 3.81Å; K87-F152 HydrophobicContact CG-CE1 3.57Å; K87-F152 HydrophobicContact CG-CG 4.5Å; K87-F152 HydrophobicContact CG-CZ 4.07Å; W110-F152 HydrophobicContact CZ2-CD2 4.15Å; W110-F152 HydrophobicContact CZ2-CE2 4.23Å; Q148-F152 HydrophobicContact CB-CE2 4.3Å; Q148-F152 WeakPolarHBondContact O-CD2 3.35Å; Q148-F152 WeakPolarHBondContact O-CG 3.31Å; Q148-F152 PolarHBondContact O-N 3.38Å; K149-F152 PolarHBondContact O-N 2.59Å; T150-F152 PolarHBondContact O-N 3.06Å; F152-W155 HydrophobicContact CD1-CD2 4.49Å; F152-W155 AromaticContact CD1-CE3 3.69Å; F152-W155 HydrophobicContact CD1-CE3 3.69Å; F152-W155 HydrophobicContact CD1-CH2 4.08Å; F152-W155 AromaticContact CD1-CZ3 3.45Å; F152-W155 HydrophobicContact CD1-CZ3 3.45Å; F152-W155 VanDerWaalsContact CD1-CZ3 3.45Å; F152-W155 HydrophobicContact CE1-CE3 4.24Å; F152-W155 AromaticContact CE1-CH2 3.98Å; F152-W155 HydrophobicContact CE1-CH2 3.98Å; F152-W155 AromaticContact CE1-CZ3 3.53Å; F152-W155 HydrophobicContact CE1-CZ3 3.53Å; F152-W155 PolarHBondContact O-N 2.89Å; F152-I157 WeakPolarHBondContact O-CB 3.16Å; F152-I157 VanDerWaalsContact O-CG1 3.23Å; F152-I157 WeakPolarHBondContact O-CG1 3.48Å; F152-I157 PolarHBondContact O-N 2.86Å; F152-W161 HydrophobicContact CB-CH2 3.45Å; F152-W161 VanDerWaalsContact CB-CH2 3.45Å; F152-W161 HydrophobicContact CB-CZ2 4.17Å; F152-W161 HydrophobicContact CB-CZ3 4.13Å; F152-W161 HydrophobicContact CD2-CH2 4.34Å; F152-W161 HydrophobicContact CG-CH2 4.32Å
153Q93.8Very high95Very high51 Ų5139.8 Ų39.824%0.23821%0.211CC..Hα-helixtrans-62.8-43.9173.9-69.2179.1-57.600111.2N47 K149 T150 S151 W155 G156 W161N47-Q153 PolarHBondContact ND2-O 3.13Å; K149-Q153 WeakPolarHBondContact O-CG 3.49Å; K149-Q153 PolarHBondContact O-N 3.15Å; T150-Q153 PolarHBondContact O-N 3.46Å; S151-Q153 PolarHBondContact O-N 2.91Å; Q153-W155 PolarHBondContact O-N 3.28Å; Q153-G156 PolarHBondContact O-N 3.06Å; Q153-W161 HydrophobicContact CG-CD2 3.53Å; Q153-W161 HydrophobicContact CG-CE3 3.96Å; Q153-W161 HydrophobicContact CG-CG 3.85Å; Q153-W161 HydrophobicContact CG-CZ2 4.11Å; Q153-W161 HydrophobicContact CG-CZ3 4.41Å; Q153-W161 VanDerWaalsContact NE2-CB 3.3Å; Q153-W161 VanDerWaalsContact NE2-CG 3.28Å
154D90.7Very high94.9Very high73 Ų7334.7 Ų34.739%0.3919%0.192SC..Hα-helixtrans-63.2-25177.4-71.3-17.7000112.7T150 S151 G156 Y817T150-D154 WeakPolarHBondContact O-CB 3.26Å; T150-D154 VanDerWaalsContact O-CG 3.26Å; T150-D154 PolarHBondContact O-N 3.15Å; S151-D154 PolarHBondContact O-N 2.8Å; D154-G156 PolarHBondContact O-N 3.15Å; D154-Y817 PolarHBondContact O-OH 2.82Å
155W93.8Very high94.9Very high13 Ų1334.1 Ų34.15%0.04919%0.189CC..THydrogen-bonded Turntrans-79.2-2173.9-58.1-9.2000113.8L79 A84 S151 F152 Q153 I157 P634 V645 M648 R649L79-W155 HydrophobicContact CB-CH2 3.94Å; L79-W155 HydrophobicContact CB-CZ2 4.31Å; L79-W155 HydrophobicContact CD1-CH2 3.53Å; L79-W155 HydrophobicContact CD1-CZ2 3.83Å; L79-W155 HydrophobicContact CD1-CZ3 4.27Å; L79-W155 HydrophobicContact CG-CH2 4.33Å; A84-W155 VanDerWaalsContact CA-CZ3 3.44Å; A84-W155 HydrophobicContact CB-CE3 4.32Å; A84-W155 HydrophobicContact CB-CH2 3.98Å; A84-W155 HydrophobicContact CB-CZ3 3.82Å; S151-W155 PolarHBondContact O-N 2.63Å; S151-W155 PolarHBondContact O-NE1 3.45Å; F152-W155 HydrophobicContact CD1-CD2 4.49Å; F152-W155 AromaticContact CD1-CE3 3.69Å; F152-W155 HydrophobicContact CD1-CE3 3.69Å; F152-W155 HydrophobicContact CD1-CH2 4.08Å; F152-W155 AromaticContact CD1-CZ3 3.45Å; F152-W155 HydrophobicContact CD1-CZ3 3.45Å; F152-W155 VanDerWaalsContact CD1-CZ3 3.45Å; F152-W155 HydrophobicContact CE1-CE3 4.24Å; F152-W155 AromaticContact CE1-CH2 3.98Å; F152-W155 HydrophobicContact CE1-CH2 3.98Å; F152-W155 AromaticContact CE1-CZ3 3.53Å; F152-W155 HydrophobicContact CE1-CZ3 3.53Å; F152-W155 PolarHBondContact O-N 2.89Å; Q153-W155 PolarHBondContact O-N 3.28Å; W155-I157 HydrophobicContact CB-CD1 4.47Å; W155-I157 HydrophobicContact CB-CG1 4.11Å; W155-P634 HydrophobicContact CH2-CB 3.98Å; W155-P634 HydrophobicContact CH2-CG 3.83Å; W155-P634 HydrophobicContact CZ2-CB 3.38Å; W155-P634 HydrophobicContact CZ2-CG 3.72Å; W155-V645 HydrophobicContact CB-CG1 4.31Å; W155-V645 WeakPolarHBondContact O-CG1 3.25Å; W155-M648 HydrophobicContact CB-CE 4.19Å; W155-M648 HydrophobicContact CD2-CE 3.75Å; W155-M648 HydrophobicContact CE3-CE 4.19Å; W155-M648 HydrophobicContact CG-CE 3.71Å; W155-R649 PolarHBondContact O-NH1 3.36Å
156G93.9Very high94.9Very high1 Ų133.3 Ų33.31%0.0119%0.185CC..THydrogen-bonded Turntrans79.322.5178.400000113.6R95 Q153 D154 I158 Y817R95-G156 PolarHBondContact NH2-O 2.84Å; Q153-G156 PolarHBondContact O-N 3.06Å; D154-G156 PolarHBondContact O-N 3.15Å; G156-I158 PolarHBondContact O-N 3.43Å; G156-Y817 WeakPolarHBondContact CA-OH 3.39Å; G156-Y817 PolarHBondContact N-OH 3.26Å
157I96.8Very high94.9Very high2 Ų225.9 Ų25.91%0.0115%0.152CC..  trans-73.2123.7177.3-52-58.2000108.6K87 V88 D91 Y106 F152 W155 W161K87-I157 HydrophobicContact CB-CD1 4.05Å; K87-I157 HydrophobicContact CB-CG1 4.22Å; K87-I157 WeakPolarHBondContact O-CD1 3.43Å; V88-I157 HydrophobicContact CG2-CD1 4.46Å; D91-I157 HydrophobicContact CB-CD1 3.58Å; D91-I157 HydrophobicContact CB-CG2 4.29Å; D91-I157 WeakPolarHBondContact OD1-CA 3.48Å; Y106-I157 HydrophobicContact CE1-CG2 4.06Å; F152-I157 WeakPolarHBondContact O-CB 3.16Å; F152-I157 VanDerWaalsContact O-CG1 3.23Å; F152-I157 WeakPolarHBondContact O-CG1 3.48Å; F152-I157 PolarHBondContact O-N 2.86Å; W155-I157 HydrophobicContact CB-CD1 4.47Å; W155-I157 HydrophobicContact CB-CG1 4.11Å; I157-W161 HydrophobicContact CB-CZ2 3.89Å; I157-W161 HydrophobicContact CG2-CH2 4.37Å; I157-W161 HydrophobicContact CG2-CZ2 3.89Å; I157-W161 VanDerWaalsContact O-CZ2 3.3Å; I157-W161 WeakPolarHBondContact O-CZ2 3.38Å; I157-W161 PolarHBondContact O-NE1 3.37Å
158I96.6Very high94.8Very high1 Ų125.2 Ų25.21%0.00515%0.146CC..  trans-81150173.668.9-177.1000110.3W50 Y54 D91 L94 R95 L98 Y106 G156 L844W50-I158 HydrophobicContact CB-CG2 4.03Å; Y54-I158 HydrophobicContact CD2-CB 4.24Å; Y54-I158 HydrophobicContact CD2-CD1 4.39Å; Y54-I158 HydrophobicContact CD2-CG1 4.27Å; D91-I158 WeakPolarHBondContact OD1-CG1 3.48Å; D91-I158 PolarHBondContact OD1-N 3.12Å; L94-I158 HydrophobicContact CB-CD1 4.09Å; L94-I158 HydrophobicContact CB-CG1 4.3Å; L94-I158 HydrophobicContact CD1-CG1 4.41Å; R95-I158 HydrophobicContact CG-CD1 4Å; L98-I158 HydrophobicContact CD1-CD1 3.47Å; L98-I158 VanDerWaalsContact CD1-CD1 3.47Å; Y106-I158 WeakPolarHBondContact CD1-O 3.1Å; Y106-I158 WeakPolarHBondContact CE1-O 3.49Å; G156-I158 PolarHBondContact O-N 3.43Å; I158-L844 HydrophobicContact CD1-CD2 4.33Å
159G95.4Very high94.8Very high1 Ų127.3 Ų27.31%0.0116%0.157CC..SBendtrans166.2175.2178.600000113.9Y54 W161Y54-G159 VanDerWaalsContact CD1-C 3.46Å; Y54-G159 VanDerWaalsContact CD1-O 3.29Å; Y54-G159 WeakPolarHBondContact CD1-O 3.42Å; Y54-G159 WeakPolarHBondContact CE1-O 3.37Å; G159-W161 VanDerWaalsContact O-CD1 3.28Å; G159-W161 PolarHBondContact O-N 3.25Å
160S93.9Very high94.8Very high6 Ų629 Ų294%0.04217%0.165CC..  trans-75.267.3177.3-167.40000111.8Y106 T162 G163 C164Y106-S160 PolarHBondContact O-N 3.22Å; S160-T162 PolarHBondContact O-N 3.11Å; S160-G163 CarbonylContact O-C 3.48Å; S160-G163 PolarHBondContact O-N 2.77Å; S160-G163 VanDerWaalsContact O-N 3.15Å; S160-C164 PolarHBondContact O-N 3.1Å; S160-C164 PolarHBondContact O-SG 2.99Å; S160-C164 VanDerWaalsContact O-SG 3.41Å
161W93.6Very high94.8Very high9 Ų927.5 Ų27.53%0.03416%0.156CC..THydrogen-bonded Turntrans-66.9-21-174.9-63.6114.1000114.4P108 W110 K149 F152 Q153 I157 G159 C164P108-W161 HydrophobicContact CB-CE3 4.31Å; P108-W161 HydrophobicContact CB-CH2 4.18Å; P108-W161 HydrophobicContact CB-CZ3 3.76Å; P108-W161 HydrophobicContact CG-CD2 4.37Å; P108-W161 HydrophobicContact CG-CE3 3.91Å; P108-W161 HydrophobicContact CG-CH2 3.84Å; P108-W161 HydrophobicContact CG-CZ2 4.3Å; P108-W161 HydrophobicContact CG-CZ3 3.64Å; W110-W161 HydrophobicContact CH2-CZ3 4.22Å; K149-W161 WeakPolarHBondContact CE-O 3.35Å; K149-W161 HydrophobicContact CG-CE3 3.92Å; K149-W161 HydrophobicContact CG-CZ3 4.22Å; K149-W161 PolarHBondContact NZ-O 3.04Å; F152-W161 HydrophobicContact CB-CH2 3.45Å; F152-W161 VanDerWaalsContact CB-CH2 3.45Å; F152-W161 HydrophobicContact CB-CZ2 4.17Å; F152-W161 HydrophobicContact CB-CZ3 4.13Å; F152-W161 HydrophobicContact CD2-CH2 4.34Å; F152-W161 HydrophobicContact CG-CH2 4.32Å; Q153-W161 HydrophobicContact CG-CD2 3.53Å; Q153-W161 HydrophobicContact CG-CE3 3.96Å; Q153-W161 HydrophobicContact CG-CG 3.85Å; Q153-W161 HydrophobicContact CG-CZ2 4.11Å; Q153-W161 HydrophobicContact CG-CZ3 4.41Å; Q153-W161 VanDerWaalsContact NE2-CB 3.3Å; Q153-W161 VanDerWaalsContact NE2-CG 3.28Å; I157-W161 HydrophobicContact CB-CZ2 3.89Å; I157-W161 HydrophobicContact CG2-CH2 4.37Å; I157-W161 HydrophobicContact CG2-CZ2 3.89Å; I157-W161 VanDerWaalsContact O-CZ2 3.3Å; I157-W161 WeakPolarHBondContact O-CZ2 3.38Å; I157-W161 PolarHBondContact O-NE1 3.37Å; G159-W161 VanDerWaalsContact O-CD1 3.28Å; G159-W161 PolarHBondContact O-N 3.25Å; W161-C164 PolarHBondContact O-SG 3.23Å
162T90.1Very high94.9Very high123 Ų12326 Ų2676%0.75515%0.146SC*.THydrogen-bonded Turntrans-88.1-18.4175.3530000113S160S160-T162 PolarHBondContact O-N 3.11Å
163G90.8Very high95Very high25 Ų2526.3 Ų26.326%0.25815%0.148SC..SBendtrans-124.643-179.500000111.3I107 S160I107-G163 VanDerWaalsContact CG2-O 3.24Å; I107-G163 WeakPolarHBondContact CG2-O 3.48Å; S160-G163 CarbonylContact O-C 3.48Å; S160-G163 PolarHBondContact O-N 2.77Å; S160-G163 VanDerWaalsContact O-N 3.15Å
164C95.7Very high95.2Very high23 Ų2324.2 Ų24.216%0.15514%0.139CC..  trans-64.2160172.8-61.90000110.9P108 W110 S160 W161P108-C164 VanDerWaalsContact O-CA 3.27Å; P108-C164 WeakPolarHBondContact O-CA 3.41Å; P108-C164 VanDerWaalsContact O-CB 3.31Å; P108-C164 WeakPolarHBondContact O-CB 3.48Å; W110-C164 HydrophobicContact CE3-CB 4.38Å; W110-C164 HydrophobicContact CZ3-CB 3.62Å; S160-C164 PolarHBondContact O-N 3.1Å; S160-C164 PolarHBondContact O-SG 2.99Å; S160-C164 VanDerWaalsContact O-SG 3.41Å; W161-C164 PolarHBondContact O-SG 3.23Å
165Y97.3Very high95.4Very high2 Ų222.4 Ų22.41%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-108.7153.3173.277.3-94.2000112.4D70 P72 I107 P108 G109 W110 F172 V561 Y567D70-Y165 PolarHBondContact O-OH 2.97Å; P72-Y165 HydrophobicContact CB-CE2 3.97Å; P72-Y165 WeakPolarHBondContact CB-OH 3.3Å; P72-Y165 VanDerWaalsContact CD-OH 3.25Å; P72-Y165 WeakPolarHBondContact CD-OH 3.42Å; P72-Y165 HydrophobicContact CG-CE2 4.29Å; P72-Y165 WeakPolarHBondContact CG-OH 3.37Å; I107-Y165 HydrophobicContact CG2-CD1 4Å; I107-Y165 WeakPolarHBondContact O-CE1 3.36Å; P108-Y165 PolarHBondContact O-N 3.45Å; P108-Y165 VanDerWaalsContact O-N 3.08Å; G109-Y165 CarbonylContact C-O 3.59Å; G109-Y165 VanDerWaalsContact CA-CE1 3.42Å; G109-Y165 WeakPolarHBondContact CA-O 3.43Å; W110-Y165 PolarHBondContact N-O 2.96Å; W110-Y165 VanDerWaalsContact N-O 3.15Å; Y165-F172 HydrophobicContact CD2-CD2 4.16Å; Y165-F172 AromaticContact CD2-CE2 3.73Å; Y165-F172 HydrophobicContact CD2-CE2 3.73Å; Y165-F172 HydrophobicContact CE2-CE2 4.05Å; Y165-V561 HydrophobicContact CD1-CB 4.27Å; Y165-V561 HydrophobicContact CD1-CG1 3.72Å; Y165-V561 HydrophobicContact CD1-CG2 3.56Å; Y165-V561 HydrophobicContact CD2-CG2 3.64Å; Y165-V561 HydrophobicContact CE1-CG1 4.21Å; Y165-V561 HydrophobicContact CE1-CG2 3.94Å; Y165-V561 HydrophobicContact CE2-CG2 4.02Å; Y165-V561 HydrophobicContact CG-CB 4.48Å; Y165-V561 HydrophobicContact CG-CG1 4.25Å; Y165-V561 HydrophobicContact CG-CG2 3.38Å; Y165-Y567 VanDerWaalsContact CA-CE1 3.5Å
166S97.1Very high95.6Very high7 Ų721.8 Ų21.85%0.04913%0.128CC..EExtended strand (participates in β ladder)trans-134142.8169.9-179.10000108.4C112 M168 D169C112-S166 PolarHBondContact SG-OG 3.31Å; S166-M168 PolarHBondContact O-N 2.97Å; S166-M168 VanDerWaalsContact OG-CG 3.29Å; S166-M168 WeakPolarHBondContact OG-CG 3.32Å; S166-M168 PolarHBondContact OG-N 3.27Å; S166-D169 PolarHBondContact N-OD2 3.34Å; S166-D169 VanDerWaalsContact O-CB 3.29Å; S166-D169 WeakPolarHBondContact O-CB 3.43Å; S166-D169 PolarHBondContact O-N 3.16Å
167T97.1Very high95.7Very high0 Ų021.8 Ų21.80%013%0.128CC..THydrogen-bonded Turntrans-62.8-21.5173.655.40000112.4W110 D111 C112 H113 D169 F172 D553W110-T167 PolarHBondContact O-N 3.4Å; W110-T167 VanDerWaalsContact O-N 3.12Å; D111-T167 PolarHBondContact OD1-OG1 2.71Å; C112-T167 PolarHBondContact N-OG1 2.66Å; H113-T167 VanDerWaalsContact CE1-C 3.48Å; H113-T167 PolarHBondContact CE1-O 2.87Å; T167-D169 VanDerWaalsContact C-N 3.32Å; T167-F172 HydrophobicContact CG2-CD1 4.49Å; T167-F172 HydrophobicContact CG2-CE1 3.93Å; T167-F172 HydrophobicContact CG2-CE2 4.48Å; T167-F172 HydrophobicContact CG2-CZ 3.92Å; T167-D553 HydrophobicContact CG2-CB 4.09Å
168M95.7Very high95.7Very high37 Ų3725.9 Ų25.918%0.18215%0.145CC..THydrogen-bonded Turntrans-850.1174.185.5-153.4174.400114C112 A141 E142 S166 K170C112-M168 HydrophobicContact CB-CB 4.04Å; C112-M168 HydrophobicContact CB-CG 4.21Å; C112-M168 HydrophobicContact CB-SD 3.65Å; A141-M168 HydrophobicContact CB-SD 4.16Å; E142-M168 HydrophobicContact CG-CE 3.51Å; S166-M168 PolarHBondContact O-N 2.97Å; S166-M168 VanDerWaalsContact OG-CG 3.29Å; S166-M168 WeakPolarHBondContact OG-CG 3.32Å; S166-M168 PolarHBondContact OG-N 3.27Å; M168-K170 PolarHBondContact O-N 3.12Å
169D96.4Very high95.7Very high49 Ų4925.9 Ų25.926%0.26215%0.146SC..SBendtrans-68131.8175-71.4-24000109.2S166 T167 C171 F172 E173 Y567S166-D169 PolarHBondContact N-OD2 3.34Å; S166-D169 VanDerWaalsContact O-CB 3.29Å; S166-D169 WeakPolarHBondContact O-CB 3.43Å; S166-D169 PolarHBondContact O-N 3.16Å; T167-D169 VanDerWaalsContact C-N 3.32Å; D169-C171 PolarHBondContact O-N 3.15Å; D169-C171 VanDerWaalsContact O-N 3.08Å; D169-F172 HydrophobicContact CB-CB 4.15Å; D169-F172 WeakPolarHBondContact O-CA 3.34Å; D169-F172 WeakPolarHBondContact O-CB 3.35Å; D169-F172 PolarHBondContact O-N 3.4Å; D169-E173 PolarHBondContact O-N 2.96Å; D169-Y567 WeakPolarHBondContact CB-OH 3.35Å; D169-Y567 VanDerWaalsContact CG-OH 3.26Å; D169-Y567 WeakPolarHBondContact OD2-CE1 3.16Å; D169-Y567 PolarHBondContact OD2-OH 3.41Å
170K96.8Very high95.9Very high92 Ų9225.9 Ų25.940%0.415%0.146SC..Hα-helixtrans-49.1-41.3-178-61.5-176.2175.1-174.50114.1M168 A174 V509 S511 E512M168-K170 PolarHBondContact O-N 3.12Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.91Å; K170-V509 WeakPolarHBondContact CB-O 3.31Å; K170-S511 PolarHBondContact NZ-O 3.28Å; K170-E512 VanDerWaalsContact CE-C 3.46Å; K170-E512 VanDerWaalsContact CE-O 3.25Å; K170-E512 WeakPolarHBondContact CE-O 3.28Å; K170-E512 PolarHBondContact NZ-O 2.91Å
171C95Very high96Very high31 Ų3126.4 Ų26.421%0.20915%0.149CC..Hα-helixtrans-73.6-26.8179.360.80000113D169 V175 N566 Y567D169-C171 PolarHBondContact O-N 3.15Å; D169-C171 VanDerWaalsContact O-N 3.08Å; C171-V175 VanDerWaalsContact O-CG2 3.29Å; C171-V175 WeakPolarHBondContact O-CG2 3.37Å; C171-V175 PolarHBondContact O-N 3.37Å; C171-N566 HydrophobicContact CB-CB 4.34Å; C171-N566 WeakPolarHBondContact CB-ND2 3.45Å; C171-Y567 PolarHBondContact SG-OH 3.44Å; C171-Y567 VanDerWaalsContact SG-OH 3.35Å
172F96.9Very high96.2Very high0 Ų029.7 Ų29.70%017%0.167CC..Hα-helixtrans-69.5-54.7172.7-161.5-70.6000109.7Y165 T167 D169 A174 V175 E176 C560 V561Y165-F172 HydrophobicContact CD2-CD2 4.16Å; Y165-F172 AromaticContact CD2-CE2 3.73Å; Y165-F172 HydrophobicContact CD2-CE2 3.73Å; Y165-F172 HydrophobicContact CE2-CE2 4.05Å; T167-F172 HydrophobicContact CG2-CD1 4.49Å; T167-F172 HydrophobicContact CG2-CE1 3.93Å; T167-F172 HydrophobicContact CG2-CE2 4.48Å; T167-F172 HydrophobicContact CG2-CZ 3.92Å; D169-F172 HydrophobicContact CB-CB 4.15Å; D169-F172 WeakPolarHBondContact O-CA 3.34Å; D169-F172 WeakPolarHBondContact O-CB 3.35Å; D169-F172 PolarHBondContact O-N 3.4Å; F172-A174 VanDerWaalsContact C-N 3.28Å; F172-A174 PolarHBondContact O-N 3.22Å; F172-V175 PolarHBondContact O-N 3.14Å; F172-E176 HydrophobicContact CD1-CG 4Å; F172-E176 WeakPolarHBondContact CD1-OE1 3.47Å; F172-E176 HydrophobicContact CE1-CG 4.06Å; F172-E176 WeakPolarHBondContact CE1-OE1 3.47Å; F172-E176 PolarHBondContact O-N 3.2Å; F172-C560 HydrophobicContact CD1-CB 3.97Å; F172-C560 HydrophobicContact CD2-CB 3.38Å; F172-C560 HydrophobicContact CE1-CB 3.92Å; F172-C560 HydrophobicContact CE2-CB 3.37Å; F172-C560 HydrophobicContact CG-CB 3.7Å; F172-C560 HydrophobicContact CZ-CB 3.64Å; F172-V561 HydrophobicContact CD2-CG2 4.24Å; F172-V561 HydrophobicContact CE2-CG2 3.79Å
173E97.5Very high96.6Very high7 Ų723.8 Ų23.83%0.03313%0.132CC..Hα-helixtrans-55-43.7178.6-59.5-172.9130.400111.4H113 D169 V175 E176 L177 V482 V509 S514H113-E173 IonicContact CE1-OE1 3.51Å; H113-E173 IonicContact NE2-OE1 3.88Å; D169-E173 PolarHBondContact O-N 2.96Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 2.79Å; E173-E176 WeakPolarHBondContact O-CB 3.11Å; E173-E176 PolarHBondContact O-N 2.79Å; E173-L177 WeakPolarHBondContact O-CG 3.48Å; E173-L177 PolarHBondContact O-N 3.33Å; E173-L177 VanDerWaalsContact O-N 3.1Å; E173-V482 HydrophobicContact CB-CG1 4.36Å; E173-V482 HydrophobicContact CB-CG2 4.08Å; E173-V482 HydrophobicContact CG-CG2 3.72Å; E173-V509 HydrophobicContact CB-CG1 3.48Å; E173-V509 VanDerWaalsContact CB-CG1 3.48Å; E173-S514 VanDerWaalsContact CD-OG 3.29Å; E173-S514 WeakPolarHBondContact OE1-CB 3.2Å; E173-S514 PolarHBondContact OE1-OG 3.03Å; E173-S514 WeakPolarHBondContact OE2-CB 3.35Å; E173-S514 PolarHBondContact OE2-N 3.21Å; E173-S514 VanDerWaalsContact OE2-N 3.11Å; E173-S514 PolarHBondContact OE2-OG 2.89Å
174A97Very high96.9Very high7 Ų724.3 Ų24.36%0.05813%0.127CC..Hα-helixtrans-60.7-40.1178.800000112.9K170 F172 L177 K178 S506 V509 A510K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.91Å; F172-A174 VanDerWaalsContact C-N 3.28Å; F172-A174 PolarHBondContact O-N 3.22Å; A174-L177 PolarHBondContact O-N 2.85Å; A174-K178 PolarHBondContact O-N 3.21Å; A174-S506 WeakPolarHBondContact CB-O 3.42Å; A174-S506 PolarHBondContact O-OG 3.26Å; A174-V509 HydrophobicContact CB-CB 4.49Å; A174-V509 HydrophobicContact CB-CG1 4.24Å; A174-A510 HydrophobicContact CB-CB 3.81Å
175V95.8Very high96.9Very high35 Ų3526.3 Ų26.321%0.21214%0.141CC..Hα-helixtrans-70-35.8177.8172.80000111.1C171 F172 E173 L177 K178 A179 L559 C560C171-V175 VanDerWaalsContact O-CG2 3.29Å; C171-V175 WeakPolarHBondContact O-CG2 3.37Å; C171-V175 PolarHBondContact O-N 3.37Å; F172-V175 PolarHBondContact O-N 3.14Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 2.79Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 3Å; V175-K178 PolarHBondContact O-N 3.18Å; V175-A179 WeakPolarHBondContact O-CB 3.31Å; V175-A179 PolarHBondContact O-N 3.31Å; V175-L559 HydrophobicContact CG1-CD2 3.82Å; V175-L559 HydrophobicContact CG1-CG 3.82Å; V175-C560 HydrophobicContact CG1-CB 4.49Å
176E97Very high96.9Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-60-43.9173-66.9-178.2-173.900112.1F172 E173 K178 A179 F180 V482 D553 L556F172-E176 HydrophobicContact CD1-CG 4Å; F172-E176 WeakPolarHBondContact CD1-OE1 3.47Å; F172-E176 HydrophobicContact CE1-CG 4.06Å; F172-E176 WeakPolarHBondContact CE1-OE1 3.47Å; F172-E176 PolarHBondContact O-N 3.2Å; E173-E176 WeakPolarHBondContact O-CB 3.11Å; E173-E176 PolarHBondContact O-N 2.79Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 2.93Å; E176-A179 WeakPolarHBondContact O-CB 3.22Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-F180 PolarHBondContact O-N 3.02Å; E176-V482 WeakPolarHBondContact OE2-CB 3.32Å; E176-V482 WeakPolarHBondContact OE2-CG2 3.49Å; E176-D553 WeakPolarHBondContact OE1-CA 3.37Å; E176-D553 VanDerWaalsContact OE1-CB 3.22Å; E176-D553 WeakPolarHBondContact OE1-CB 3.29Å; E176-L556 HydrophobicContact CB-CD1 4.16Å; E176-L556 HydrophobicContact CG-CD1 3.98Å
177L97.8Very high96.9Very high0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-61-39.1177.1-62.4-163.6000111.9E173 A174 V175 F180 S181 V482 P483 P485 I502 I505 V509 F548E173-L177 WeakPolarHBondContact O-CG 3.48Å; E173-L177 PolarHBondContact O-N 3.33Å; E173-L177 VanDerWaalsContact O-N 3.1Å; A174-L177 PolarHBondContact O-N 2.85Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 3Å; L177-F180 PolarHBondContact O-N 2.94Å; L177-S181 PolarHBondContact O-N 2.85Å; L177-S181 VanDerWaalsContact O-N 3.16Å; L177-V482 HydrophobicContact CD2-CG1 3.57Å; L177-V482 HydrophobicContact CG-CG1 4.3Å; L177-P483 WeakPolarHBondContact CD2-O 3.35Å; L177-P485 HydrophobicContact CD1-CG 4.23Å; L177-P485 HydrophobicContact CD2-CG 3.95Å; L177-P485 HydrophobicContact CG-CG 4.47Å; L177-I502 HydrophobicContact CB-CG2 4.49Å; L177-I502 WeakPolarHBondContact O-CG2 2.97Å; L177-I505 HydrophobicContact CD1-CG2 3.94Å; L177-V509 HydrophobicContact CD1-CB 4.43Å; L177-V509 HydrophobicContact CD1-CG2 3.84Å; L177-F548 HydrophobicContact CD2-CE2 3.87Å
178K96.7Very high96.9Very high88 Ų8834 Ų3438%0.38318%0.182SC..Hα-helixtrans-67.9-41.7175.1-71.2179.8178-161.50111.7A174 V175 E176 F180 S181 D182 D503 S506A174-K178 PolarHBondContact O-N 3.21Å; V175-K178 PolarHBondContact O-N 3.18Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 2.93Å; K178-F180 VanDerWaalsContact C-N 3.3Å; K178-F180 PolarHBondContact O-N 3.27Å; K178-S181 VanDerWaalsContact O-CB 3.3Å; K178-S181 WeakPolarHBondContact O-CB 3.3Å; K178-S181 PolarHBondContact O-N 3.41Å; K178-S181 VanDerWaalsContact O-N 3.16Å; K178-D182 PolarHBondContact O-N 3.03Å; K178-D503 WeakPolarHBondContact CE-OD1 3.5Å; K178-D503 IonicContact NZ-OD1 3.31Å; K178-D503 PolarHBondContact NZ-OD1 3.02Å; K178-S506 WeakPolarHBondContact CE-OG 3.39Å; K178-S506 WeakPolarHBondContact CG-OG 3.35Å
179A97Very high97Very high2 Ų232.4 Ų32.42%0.01718%0.175CC..Hα-helixtrans-61.1-39.8175.600000111.7V175 E176 D182 L183 L556 L559 L601V175-A179 WeakPolarHBondContact O-CB 3.31Å; V175-A179 PolarHBondContact O-N 3.31Å; E176-A179 WeakPolarHBondContact O-CB 3.22Å; E176-A179 PolarHBondContact O-N 2.9Å; A179-D182 PolarHBondContact O-N 3.45Å; A179-L183 VanDerWaalsContact O-CB 3.3Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 WeakPolarHBondContact O-CD1 3.46Å; A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.78Å; A179-L556 HydrophobicContact CB-CD1 3.67Å; A179-L556 HydrophobicContact CB-CD2 4.01Å; A179-L559 HydrophobicContact CB-CD2 3.98Å; A179-L601 HydrophobicContact CB-CD1 4.15Å
180F97.9Very high96.9Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-59-46.9172.6172.6-97.4000111.9E176 L177 K178 D182 L183 H184 I189 W433 I484 V486 I502 F548E176-F180 PolarHBondContact O-N 3.02Å; L177-F180 PolarHBondContact O-N 2.94Å; K178-F180 VanDerWaalsContact C-N 3.3Å; K178-F180 PolarHBondContact O-N 3.27Å; F180-D182 PolarHBondContact O-N 3.19Å; F180-L183 PolarHBondContact O-N 3.32Å; F180-H184 WeakPolarHBondContact O-CB 3.3Å; F180-H184 PolarHBondContact O-N 3Å; F180-I189 HydrophobicContact CD2-CD1 3.68Å; F180-I189 HydrophobicContact CD2-CG2 4.37Å; F180-I189 HydrophobicContact CE2-CD1 4.18Å; F180-I189 HydrophobicContact CE2-CG2 3.8Å; F180-W433 HydrophobicContact CE2-CD2 4.32Å; F180-W433 HydrophobicContact CE2-CE3 4.08Å; F180-W433 HydrophobicContact CE2-CZ3 4.45Å; F180-W433 HydrophobicContact CZ-CD2 4.29Å; F180-W433 HydrophobicContact CZ-CE3 4.02Å; F180-W433 HydrophobicContact CZ-CH2 4.23Å; F180-W433 HydrophobicContact CZ-CZ2 4.49Å; F180-W433 AromaticContact CZ-CZ3 3.97Å; F180-W433 HydrophobicContact CZ-CZ3 3.97Å; F180-I484 HydrophobicContact CE1-CG2 4.19Å; F180-I484 HydrophobicContact CE2-CG2 4Å; F180-I484 HydrophobicContact CZ-CG2 3.73Å; F180-V486 HydrophobicContact CE1-CG2 3.96Å; F180-V486 HydrophobicContact CZ-CG2 4.11Å; F180-I502 HydrophobicContact CD1-CD1 4.15Å; F180-I502 HydrophobicContact CE1-CD1 4.07Å; F180-F548 HydrophobicContact CB-CE1 4.38Å; F180-F548 HydrophobicContact CB-CE2 4.47Å; F180-F548 HydrophobicContact CB-CZ 3.68Å; F180-F548 HydrophobicContact CD1-CZ 4.48Å; F180-F548 AromaticContact CD2-CE1 3.57Å; F180-F548 HydrophobicContact CD2-CE1 3.57Å; F180-F548 AromaticContact CD2-CZ 3.56Å; F180-F548 HydrophobicContact CD2-CZ 3.56Å; F180-F548 HydrophobicContact CE2-CE1 4.13Å; F180-F548 HydrophobicContact CE2-CZ 4.32Å; F180-F548 HydrophobicContact CG-CE1 4.16Å; F180-F548 AromaticContact CG-CZ 3.66Å; F180-F548 HydrophobicContact CG-CZ 3.66Å
181S97.6Very high96.8Very high17 Ų1731.8 Ų31.812%0.11917%0.168CC..Hα-helixtrans-56.4-48.3175.2-168.40000112.1L177 K178 H184 S185 Y499L177-S181 PolarHBondContact O-N 2.85Å; L177-S181 VanDerWaalsContact O-N 3.16Å; K178-S181 VanDerWaalsContact O-CB 3.3Å; K178-S181 WeakPolarHBondContact O-CB 3.3Å; K178-S181 PolarHBondContact O-N 3.41Å; K178-S181 VanDerWaalsContact O-N 3.16Å; S181-H184 PolarHBondContact O-N 3.26Å; S181-S185 WeakPolarHBondContact O-CB 3.19Å; S181-S185 PolarHBondContact O-N 3.36Å; S181-S185 PolarHBondContact O-OG 3.27Å; S181-Y499 WeakPolarHBondContact OG-CD1 3.29Å
182D97Very high96.6Very high78 Ų7831.1 Ų31.142%0.41717%0.167SC..Hα-helixtrans-65-43.9-179.9-791.9000112.5K178 A179 F180 S185 K186 L601K178-D182 PolarHBondContact O-N 3.03Å; A179-D182 PolarHBondContact O-N 3.45Å; F180-D182 PolarHBondContact O-N 3.19Å; D182-S185 PolarHBondContact O-N 2.96Å; D182-S185 PolarHBondContact O-OG 3.16Å; D182-K186 WeakPolarHBondContact O-CB 3.28Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.41Å; D182-K186 PolarHBondContact O-N 3.49Å; D182-K186 VanDerWaalsContact O-N 3.1Å; D182-L601 HydrophobicContact CB-CD2 3.74Å
183L97.9Very high96.3Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-66.4-39.4178.8-73.1168.1000111.8A179 F180 G187 F188 I189 F552 L597 A600 L601A179-L183 VanDerWaalsContact O-CB 3.3Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 WeakPolarHBondContact O-CD1 3.46Å; A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.78Å; F180-L183 PolarHBondContact O-N 3.32Å; L183-G187 PolarHBondContact O-N 3.24Å; L183-F188 HydrophobicContact CD2-CB 4.37Å; L183-F188 HydrophobicContact CD2-CD2 4.46Å; L183-F188 PolarHBondContact O-N 3.4Å; L183-I189 HydrophobicContact CB-CD1 3.45Å; L183-I189 VanDerWaalsContact CB-CD1 3.45Å; L183-I189 HydrophobicContact CB-CG1 3.79Å; L183-I189 HydrophobicContact CD1-CD1 3.86Å; L183-I189 HydrophobicContact CG-CD1 4.29Å; L183-I189 PolarHBondContact O-N 3.37Å; L183-F552 HydrophobicContact CD1-CE2 3.97Å; L183-F552 HydrophobicContact CD1-CZ 4.03Å; L183-L597 HydrophobicContact CD1-CD2 3.8Å; L183-A600 HydrophobicContact CD2-CB 3.31Å; L183-L601 HydrophobicContact CD2-CD2 3.88Å; L183-L601 HydrophobicContact CD2-CG 3.81Å; L183-L601 HydrophobicContact CG-CD2 3.79Å; L183-L601 HydrophobicContact CG-CG 4.07Å
184H97.5Very high96.1Very high36 Ų3634.8 Ų34.817%0.16719%0.19CC..Hα-helixtrans-66.9-46.8175.6-177.9-86.7000111.4F180 S181 K186 G187 I189 W433 Y499F180-H184 WeakPolarHBondContact O-CB 3.3Å; F180-H184 PolarHBondContact O-N 3Å; S181-H184 PolarHBondContact O-N 3.26Å; H184-K186 PolarHBondContact O-N 3.08Å; H184-G187 PolarHBondContact O-N 3.47Å; H184-I189 HydrophobicContact CB-CB 4.31Å; H184-W433 AromaticContact CD2-CZ3 3.95Å; H184-Y499 AromaticContact ND1-CE1 3.64Å; H184-Y499 AromaticContact ND1-CZ 3.72Å; H184-Y499 PolarHBondContact ND1-OH 3.28Å
185S96.9Very high95.8Very high65 Ų6535.5 Ų35.546%0.45519%0.194SC..Hα-helixtrans-62.7-28.9179.367.30000113.3S181 D182 G187 Y499S181-S185 WeakPolarHBondContact O-CB 3.19Å; S181-S185 PolarHBondContact O-N 3.36Å; S181-S185 PolarHBondContact O-OG 3.27Å; D182-S185 PolarHBondContact O-N 2.96Å; D182-S185 PolarHBondContact O-OG 3.16Å; S185-G187 VanDerWaalsContact C-N 3.31Å; S185-Y499 WeakPolarHBondContact CA-OH 3.42Å
186K96.6Very high95.7Very high100 Ų10034.5 Ų34.544%0.43519%0.188SC..THydrogen-bonded Turntrans-81.5-3172.8-68.9171.2-178.3172.70114.2D182 H184 F188 L601D182-K186 WeakPolarHBondContact O-CB 3.28Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.41Å; D182-K186 PolarHBondContact O-N 3.49Å; D182-K186 VanDerWaalsContact O-N 3.1Å; H184-K186 PolarHBondContact O-N 3.08Å; K186-F188 HydrophobicContact CB-CD2 3.59Å; K186-F188 HydrophobicContact CB-CE2 3.77Å; K186-F188 HydrophobicContact CD-CD2 4.4Å; K186-F188 HydrophobicContact CD-CE2 4.25Å; K186-L601 PolarHBondContact NZ-O 3.06Å
187G96.3Very high95.5Very high30 Ų3037.3 Ų37.331%0.30920%0.199SC..THydrogen-bonded Turntrans7520.1178.600000115L183 H184 S185 K439L183-G187 PolarHBondContact O-N 3.24Å; H184-G187 PolarHBondContact O-N 3.47Å; S185-G187 VanDerWaalsContact C-N 3.31Å; G187-K439 PolarHBondContact O-NZ 2.97Å
188F97.2Very high95.3Very high40 Ų4037.3 Ų37.318%0.17520%0.199CC..SBendtrans-92.4-19.7174.9-64.2-56000113.3L183 K186 V435 D436 K439 L440 A600L183-F188 HydrophobicContact CD2-CB 4.37Å; L183-F188 HydrophobicContact CD2-CD2 4.46Å; L183-F188 PolarHBondContact O-N 3.4Å; K186-F188 HydrophobicContact CB-CD2 3.59Å; K186-F188 HydrophobicContact CB-CE2 3.77Å; K186-F188 HydrophobicContact CD-CD2 4.4Å; K186-F188 HydrophobicContact CD-CE2 4.25Å; F188-V435 CarbonylContact O-C 3.49Å; F188-V435 WeakPolarHBondContact O-CA 3.38Å; F188-D436 PolarHBondContact O-N 2.64Å; F188-K439 HydrophobicContact CD1-CB 4.38Å; F188-K439 HydrophobicContact CE1-CB 4.4Å; F188-L440 HydrophobicContact CD1-CD1 4.48Å; F188-L440 HydrophobicContact CD1-CD2 3.55Å; F188-L440 HydrophobicContact CD1-CG 3.92Å; F188-L440 HydrophobicContact CE1-CD2 3.46Å; F188-L440 VanDerWaalsContact CE1-CD2 3.46Å; F188-L440 HydrophobicContact CE1-CG 4.2Å; F188-L440 HydrophobicContact CG-CD2 4.15Å; F188-L440 HydrophobicContact CZ-CD2 3.98Å; F188-A600 HydrophobicContact CB-CB 4.41Å; F188-A600 HydrophobicContact CD2-CB 3.77Å; F188-A600 HydrophobicContact CE2-CB 4.17Å; F188-A600 WeakPolarHBondContact CE2-O 3.4Å; F188-A600 HydrophobicContact CG-CB 4.07Å
189I97.2Very high95.2Very high4 Ų433.1 Ų33.12%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-109.4136.7169.6-71174.9000109.2F180 L183 H184 W433 F434 V435 I474 F552F180-I189 HydrophobicContact CD2-CD1 3.68Å; F180-I189 HydrophobicContact CD2-CG2 4.37Å; F180-I189 HydrophobicContact CE2-CD1 4.18Å; F180-I189 HydrophobicContact CE2-CG2 3.8Å; L183-I189 HydrophobicContact CB-CD1 3.45Å; L183-I189 VanDerWaalsContact CB-CD1 3.45Å; L183-I189 HydrophobicContact CB-CG1 3.79Å; L183-I189 HydrophobicContact CD1-CD1 3.86Å; L183-I189 HydrophobicContact CG-CD1 4.29Å; L183-I189 PolarHBondContact O-N 3.37Å; H184-I189 HydrophobicContact CB-CB 4.31Å; I189-W433 HydrophobicContact CG2-CE3 3.73Å; I189-W433 HydrophobicContact CG2-CZ3 4.27Å; I189-F434 VanDerWaalsContact CA-O 3.29Å; I189-F434 WeakPolarHBondContact CA-O 3.29Å; I189-V435 HydrophobicContact CG1-CG2 4.05Å; I189-I474 HydrophobicContact CD1-CD1 3.78Å; I189-I474 HydrophobicContact CG1-CD1 4.17Å; I189-I474 HydrophobicContact CG2-CD1 4.32Å; I189-F552 HydrophobicContact CD1-CE2 4.31Å; I189-F552 HydrophobicContact CD1-CZ 4.45Å
190F95.6Very high94.9Very high60 Ų6034.2 Ų34.226%0.26319%0.188SC..EExtended strand (participates in β ladder)trans-140.7157172.469.5-82.3000110.9L194 F434 D436 N471F190-L194 HydrophobicContact CE2-CD1 4.4Å; F190-L194 HydrophobicContact CZ-CD1 4.27Å; F190-F434 HydrophobicContact CD1-CB 4.23Å; F190-F434 HydrophobicContact CE1-CB 3.69Å; F190-F434 HydrophobicContact CE2-CB 4.21Å; F190-F434 HydrophobicContact CE2-CD2 4.1Å; F190-F434 HydrophobicContact CE2-CG 4.43Å; F190-F434 HydrophobicContact CZ-CB 3.68Å; F190-F434 HydrophobicContact CZ-CD2 4.27Å; F190-F434 HydrophobicContact CZ-CG 4.15Å; F190-F434 PolarHBondContact N-O 3.22Å; F190-F434 PolarHBondContact O-N 3.34Å; F190-D436 HydrophobicContact CD1-CB 4.02Å; F190-D436 HydrophobicContact CE1-CB 3.89Å; F190-N471 HydrophobicContact CZ-CB 4.35Å
191R94.7Very high94.3Very high67 Ų6737.2 Ų37.225%0.25321%0.208SC..EExtended strand (participates in β ladder)trans-95.4133.2165.6-163.8-174.1-176.7860.7108.6S431 Q432 W433 E546R191-S431 PolarHBondContact NH2-O 2.95Å; R191-Q432 WeakPolarHBondContact CA-O 3.41Å; R191-Q432 WeakPolarHBondContact CG-O 3.34Å; R191-W433 HydrophobicContact CB-CD2 4.2Å; R191-W433 HydrophobicContact CB-CE3 3.96Å; R191-W433 HydrophobicContact CB-CH2 4.09Å; R191-W433 HydrophobicContact CB-CZ2 4.31Å; R191-W433 HydrophobicContact CB-CZ3 3.92Å; R191-W433 HydrophobicContact CG-CD2 4.39Å; R191-W433 HydrophobicContact CG-CZ2 4.48Å; R191-E546 IonicContact CZ-OE2 3.2Å; R191-E546 IonicContact NH1-OE1 2.66Å; R191-E546 IonicContact NH1-OE2 3.72Å; R191-E546 PolarHBondContact NH1-OE2 3.2Å; R191-E546 IonicContact NH2-OE1 2.84Å; R191-E546 IonicContact NH2-OE2 3.81Å
192G91.3Very high93.7Very high18 Ų1837.1 Ų37.119%0.18621%0.207CC..EExtended strand (participates in β ladder)trans-152.3157.5177.900000112.2S431 Q432 F434G192-S431 WeakPolarHBondContact O-CA 3.3Å; G192-Q432 PolarHBondContact N-O 3.17Å; G192-Q432 PolarHBondContact O-N 3.48Å; G192-F434 WeakPolarHBondContact O-CE2 3.44Å
193S90.8Very high93.3Very high53 Ų5340.2 Ų40.237%0.37121%0.212SC..EExtended strand (participates in β ladder)trans-90.6107.6168.8-51.20000108.1F356 S430 S431S193-F356 WeakPolarHBondContact O-CZ 3.4Å; S193-S430 WeakPolarHBondContact CA-O 3.5Å; S193-S431 PolarHBondContact OG-OG 3.48Å
194L91.6Very high93Very high30 Ų3040.3 Ų40.316%0.15721%0.213CC..EExtended strand (participates in β ladder)trans-129.1150.3177.8-63.8177.4000109.5F190 V196 F356 S430 F434 N471F190-L194 HydrophobicContact CE2-CD1 4.4Å; F190-L194 HydrophobicContact CZ-CD1 4.27Å; L194-V196 PolarHBondContact O-N 3.5Å; L194-F356 HydrophobicContact CD2-CD1 4.22Å; L194-F356 HydrophobicContact CD2-CE1 3.45Å; L194-F356 VanDerWaalsContact CD2-CE1 3.45Å; L194-F356 HydrophobicContact CD2-CZ 3.96Å; L194-S430 PolarHBondContact N-O 2.93Å; L194-S430 VanDerWaalsContact N-O 3.15Å; L194-S430 PolarHBondContact O-N 3.47Å; L194-F434 HydrophobicContact CB-CE1 4.3Å; L194-F434 HydrophobicContact CB-CE2 4.15Å; L194-F434 HydrophobicContact CB-CZ 3.7Å; L194-F434 HydrophobicContact CD1-CD1 4.02Å; L194-F434 HydrophobicContact CD1-CD2 4.02Å; L194-F434 HydrophobicContact CD1-CE1 3.84Å; L194-F434 HydrophobicContact CD1-CE2 3.83Å; L194-F434 HydrophobicContact CD1-CG 4.12Å; L194-F434 HydrophobicContact CD1-CZ 3.75Å; L194-F434 HydrophobicContact CG-CE2 4.07Å; L194-F434 HydrophobicContact CG-CZ 4.05Å; L194-N471 HydrophobicContact CD1-CB 4.31Å
195P92.6Very high92.6Very high22 Ų2238.7 Ų38.714%0.14321%0.206CC..EExtended strand (participates in β ladder)trans-62.5122.2168.5-18.230.2000109.6G352 F356 I427 L429P195-G352 WeakPolarHBondContact CG-O 3.49Å; P195-F356 HydrophobicContact CG-CB 3.41Å; P195-F356 VanDerWaalsContact CG-CB 3.41Å; P195-F356 HydrophobicContact CG-CD1 4.35Å; P195-F356 HydrophobicContact CG-CD2 4Å; P195-F356 HydrophobicContact CG-CG 3.67Å; P195-I427 HydrophobicContact CB-CG2 3.53Å; P195-L429 HydrophobicContact CG-CD1 4.48Å
196V92.2Very high92.2Very high14 Ų1436 Ų369%0.08519%0.186CC..EExtended strand (participates in β ladder)trans-123.5152.8177.9-63.20000110.1L194 W198 A205 I427 R428 Q432 F434L194-V196 PolarHBondContact O-N 3.5Å; V196-W198 HydrophobicContact CG2-CE3 4.22Å; V196-W198 PolarHBondContact O-N 3.44Å; V196-A205 HydrophobicContact CG2-CB 4.15Å; V196-I427 WeakPolarHBondContact O-CA 3.46Å; V196-R428 PolarHBondContact N-O 2.86Å; V196-R428 PolarHBondContact O-N 2.89Å; V196-Q432 HydrophobicContact CG1-CG 4.45Å; V196-F434 HydrophobicContact CG1-CE1 4.01Å; V196-F434 HydrophobicContact CG1-CZ 3.81Å
197Y92.8Very high91.4Very high59 Ų5931.6 Ų31.623%0.23117%0.169CC..EExtended strand (participates in β ladder)trans-64.4127.8165.6-67.3-72.5000109.2A205 I206 E208 L211 P416 V425 I427Y197-A205 CarbonylContact O-C 3.54Å; Y197-A205 WeakPolarHBondContact O-CA 3.26Å; Y197-I206 PolarHBondContact O-N 3.21Å; Y197-E208 HydrophobicContact CE2-CG 4.26Å; Y197-L211 HydrophobicContact CD1-CD1 3.89Å; Y197-L211 HydrophobicContact CD2-CD1 3.54Å; Y197-L211 HydrophobicContact CE1-CD1 3.89Å; Y197-L211 HydrophobicContact CE2-CD1 3.52Å; Y197-L211 HydrophobicContact CG-CD1 3.7Å; Y197-L211 HydrophobicContact CG-CD2 4.38Å; Y197-P416 HydrophobicContact CD1-CG 4.42Å; Y197-P416 HydrophobicContact CE1-CB 4.19Å; Y197-P416 HydrophobicContact CE1-CG 3.95Å; Y197-V425 HydrophobicContact CD1-CG2 3.82Å; Y197-I427 HydrophobicContact CD1-CG1 3.88Å; Y197-I427 HydrophobicContact CE1-CD1 3.99Å; Y197-I427 HydrophobicContact CE1-CG1 3.87Å
198W94.2Very high90.4Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-127.9122.6-174.2-169-90.4000109.7V196 R203 A205 E372 V425 V426 R428 Q477V196-W198 HydrophobicContact CG2-CE3 4.22Å; V196-W198 PolarHBondContact O-N 3.44Å; W198-R203 VanDerWaalsContact CZ2-C 3.42Å; W198-R203 WeakPolarHBondContact CZ2-O 3.48Å; W198-A205 HydrophobicContact CE3-CB 4.26Å; W198-A205 HydrophobicContact CZ3-CB 4.3Å; W198-E372 HydrophobicContact CH2-CG 4.37Å; W198-E372 HydrophobicContact CZ2-CB 3.84Å; W198-E372 HydrophobicContact CZ2-CG 3.9Å; W198-E372 PolarHBondContact NE1-O 3.06Å; W198-V425 WeakPolarHBondContact O-CB 3.44Å; W198-V426 HydrophobicContact CB-CG2 4.1Å; W198-V426 PolarHBondContact N-O 3.26Å; W198-V426 PolarHBondContact O-N 2.96Å; W198-R428 HydrophobicContact CB-CB 4.19Å; W198-Q477 HydrophobicContact CH2-CG 4.05Å
199S93.6Very high89.1Confident0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-89.3112173.5175.30000108.8C201 T202 R203 S204 D418S199-C201 PolarHBondContact O-N 2.87Å; S199-T202 WeakPolarHBondContact CB-OG1 3.35Å; S199-T202 PolarHBondContact O-N 3Å; S199-T202 PolarHBondContact OG-OG1 3.31Å; S199-R203 WeakPolarHBondContact O-CA 3.48Å; S199-R203 PolarHBondContact O-N 2.99Å; S199-S204 PolarHBondContact N-O 2.83Å; S199-S204 PolarHBondContact O-N 3.02Å; S199-D418 PolarHBondContact OG-OD2 3.18Å
200T91.1Very high88.1Confident26 Ų2633.8 Ų33.816%0.1617%0.174CC..THydrogen-bonded Turntrans-65-27.6179.158.70000111.8L390 V426T200-L390 HydrophobicContact CG2-CD1 4.27Å; T200-V426 HydrophobicContact CG2-CG1 4.41Å; T200-V426 HydrophobicContact CG2-CG2 3.98Å
201C86.8Confident87.6Confident63 Ų6331.4 Ų31.443%0.42616%0.164SC..THydrogen-bonded Turntrans-72.7-38177.8-1680000112.5S199 T421 K423S199-C201 PolarHBondContact O-N 2.87Å; C201-T421 HydrophobicContact CB-CG2 4.37Å; C201-K423 HydrophobicContact CB-CD 4.05Å
202T84.2Confident87.2Confident14 Ų1431.8 Ų31.89%0.08617%0.169CC..THydrogen-bonded Turntrans-102-6.3-177.657.80000113.6L115 S199 S204 T421 R478L115-T202 HydrophobicContact CD1-CG2 4.24Å; L115-T202 HydrophobicContact CD2-CG2 4.39Å; S199-T202 WeakPolarHBondContact CB-OG1 3.35Å; S199-T202 PolarHBondContact O-N 3Å; S199-T202 PolarHBondContact OG-OG1 3.31Å; T202-S204 PolarHBondContact O-N 2.97Å; T202-T421 HydrophobicContact CG2-CG2 3.65Å; T202-R478 VanDerWaalsContact CB-NH1 3.26Å; T202-R478 PolarHBondContact O-NH1 3.02Å
203R89.3Confident87.1Confident143 Ų14335.7 Ų35.754%0.5418%0.178SC..THydrogen-bonded Turntrans50.643.2-177-56.8-177.1-179172.5-2.4112.7W198 S199 S373 Q477W198-R203 VanDerWaalsContact CZ2-C 3.42Å; W198-R203 WeakPolarHBondContact CZ2-O 3.48Å; S199-R203 WeakPolarHBondContact O-CA 3.48Å; S199-R203 PolarHBondContact O-N 2.99Å; R203-S373 VanDerWaalsContact CZ-OG 3.3Å; R203-S373 PolarHBondContact NE-OG 3.02Å; R203-S373 PolarHBondContact NH2-OG 3.13Å; R203-Q477 WeakPolarHBondContact O-CB 3.39Å
204S89.8Confident87.1Confident3 Ų336 Ų362%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-140.2150-177-178.80000111.1S199 T202 Q477S199-S204 PolarHBondContact N-O 2.83Å; S199-S204 PolarHBondContact O-N 3.02Å; T202-S204 PolarHBondContact O-N 2.97Å; S204-Q477 PolarHBondContact OG-N 2.59Å
205A90.8Very high87Confident1 Ų140.8 Ų40.81%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-58.2143.3161.800000110.2V196 Y197 W198 R476V196-A205 HydrophobicContact CG2-CB 4.15Å; Y197-A205 CarbonylContact O-C 3.54Å; Y197-A205 WeakPolarHBondContact O-CA 3.26Å; W198-A205 HydrophobicContact CE3-CB 4.26Å; W198-A205 HydrophobicContact CZ3-CB 4.3Å; A205-R476 WeakPolarHBondContact O-CD 3.47Å; A205-R476 PolarHBondContact O-NE 3.21Å
206I88.1Confident87Confident9 Ų947 Ų475%0.04623%0.228CC..  trans-120.2129.3178.7-57.1-62.2000107.8Y197 E210 L211 V425Y197-I206 PolarHBondContact O-N 3.21Å; I206-E210 HydrophobicContact CG2-CB 3.68Å; I206-L211 HydrophobicContact CB-CD2 4.44Å; I206-L211 HydrophobicContact CG2-CD2 3.74Å; I206-L211 HydrophobicContact CG2-CG 4.38Å; I206-V425 HydrophobicContact CG1-CG1 4.48Å
207A78.5Confident87.1Confident8 Ų847.7 Ų47.77%0.06623%0.231CC..  trans-69152.8173.200000110.6S209 E210A207-S209 PolarHBondContact O-N 2.86Å; A207-E210 HydrophobicContact CB-CG 4.14Å; A207-E210 PolarHBondContact N-OE2 3.25Å; A207-E210 WeakPolarHBondContact O-CA 3.34Å; A207-E210 WeakPolarHBondContact O-CB 3.38Å; A207-E210 PolarHBondContact O-N 3.37Å
208E77Confident87.2Confident83 Ų8352.1 Ų52.139%0.38825%0.251SS..G310 helixtrans-57.2-38.2176.5-155.2-175151.100111.5Y197 E210 L211 R588Y197-E208 HydrophobicContact CE2-CG 4.26Å; E208-E210 PolarHBondContact O-N 2.91Å; E208-E210 VanDerWaalsContact O-N 3.1Å; E208-L211 HydrophobicContact CG-CD1 4.31Å; E208-L211 WeakPolarHBondContact O-CB 3.37Å; E208-L211 PolarHBondContact O-N 2.82Å; E208-R588 PolarHBondContact O-NH1 2.92Å; E208-R588 PolarHBondContact O-NH2 2.72Å
209S68.7Low87.2Confident24 Ų2452.6 Ų52.617%0.16825%0.254CS..G310 helixtrans-56.9-21.9174.753.40000114.2A207 W551 R588A207-S209 PolarHBondContact O-N 2.86Å; S209-W551 PolarHBondContact OG-NE1 2.94Å; S209-R588 VanDerWaalsContact CA-CZ 3.5Å; S209-R588 PolarHBondContact O-NH1 3.1Å
210E77.3Confident87.2Confident12 Ų1254.1 Ų54.16%0.05626%0.264CS..G310 helixtrans-99.97.2-178.3-57.8-179113.700112.9I206 A207 E208 W419 R476I206-E210 HydrophobicContact CG2-CB 3.68Å; A207-E210 HydrophobicContact CB-CG 4.14Å; A207-E210 PolarHBondContact N-OE2 3.25Å; A207-E210 WeakPolarHBondContact O-CA 3.34Å; A207-E210 WeakPolarHBondContact O-CB 3.38Å; A207-E210 PolarHBondContact O-N 3.37Å; E208-E210 PolarHBondContact O-N 2.91Å; E208-E210 VanDerWaalsContact O-N 3.1Å; E210-W419 VanDerWaalsContact O-CB 3.25Å; E210-W419 WeakPolarHBondContact O-CB 3.43Å; E210-W419 PolarHBondContact O-N 3.46Å; E210-R476 IonicContact OE2-NE 3.97Å; E210-R476 IonicContact OE2-NH2 3.34Å
211L85.1Confident87.4Confident10 Ų1052.9 Ų52.95%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-90.8142.3174.9-61.5176.5000112.2Y197 I206 E208 Y213 P416 Y417 V425Y197-L211 HydrophobicContact CD1-CD1 3.89Å; Y197-L211 HydrophobicContact CD2-CD1 3.54Å; Y197-L211 HydrophobicContact CE1-CD1 3.89Å; Y197-L211 HydrophobicContact CE2-CD1 3.52Å; Y197-L211 HydrophobicContact CG-CD1 3.7Å; Y197-L211 HydrophobicContact CG-CD2 4.38Å; I206-L211 HydrophobicContact CB-CD2 4.44Å; I206-L211 HydrophobicContact CG2-CD2 3.74Å; I206-L211 HydrophobicContact CG2-CG 4.38Å; E208-L211 HydrophobicContact CG-CD1 4.31Å; E208-L211 WeakPolarHBondContact O-CB 3.37Å; E208-L211 PolarHBondContact O-N 2.82Å; L211-Y213 HydrophobicContact CB-CE2 4.39Å; L211-P416 HydrophobicContact CD1-CB 4.08Å; L211-P416 HydrophobicContact CD2-CB 4.34Å; L211-Y417 WeakPolarHBondContact CA-O 3.2Å; L211-V425 HydrophobicContact CD2-CG1 4.3Å; L211-V425 HydrophobicContact CD2-CG2 3.85Å
212E85.3Confident87.8Confident75 Ų7550 Ų5035%0.3524%0.237SC..EExtended strand (participates in β ladder)trans-119131.4165.9-169.3169.7163.200109.3Y417 W419 R422E212-Y417 PolarHBondContact N-O 2.82Å; E212-Y417 WeakPolarHBondContact O-CA 3.45Å; E212-Y417 WeakPolarHBondContact O-CB 3.2Å; E212-Y417 PolarHBondContact O-N 3.49Å; E212-W419 HydrophobicContact CB-CB 4.22Å; E212-R422 IonicContact OE1-CZ 3.12Å; E212-R422 IonicContact OE1-NH1 2.64Å; E212-R422 PolarHBondContact OE1-NH1 3.1Å; E212-R422 IonicContact OE1-NH2 3.32Å; E212-R422 IonicContact OE2-CZ 3.79Å; E212-R422 IonicContact OE2-NE 2.82Å; E212-R422 IonicContact OE2-NH1 2.93Å; E212-R422 PolarHBondContact OE2-NH1 3.39Å; E212-R422 IonicContact OE2-NH2 2.85Å; E212-R422 PolarHBondContact OE2-NH2 3.49Å
213Y89.2Confident88.4Confident100 Ų10049.5 Ų49.539%0.39223%0.234SC..EExtended strand (participates in β ladder)trans-92.2120-176.9-73.5-95.9000110.6L211 Y415 P416L211-Y213 HydrophobicContact CB-CE2 4.39Å; Y213-Y415 WeakPolarHBondContact CA-O 3.48Å; Y213-P416 HydrophobicContact CD1-CB 4.42Å; Y213-P416 HydrophobicContact CE1-CB 4.05Å
214N91Very high88.8Confident59 Ų5942.7 Ų42.732%0.31621%0.208SC..EExtended strand (participates in β ladder)trans-86.1116.1171.5-178.7-3000109.3E216 H217 S414 Y415 Y417N214-E216 VanDerWaalsContact C-N 3.3Å; N214-E216 PolarHBondContact O-N 2.95Å; N214-E216 PolarHBondContact OD1-N 3.44Å; N214-H217 HydrophobicContact CB-CB 4.48Å; N214-S414 CarbonylContact O-C 3.59Å; N214-S414 VanDerWaalsContact O-CA 3.3Å; N214-S414 WeakPolarHBondContact O-CA 3.49Å; N214-Y415 PolarHBondContact N-O 2.89Å; N214-Y415 PolarHBondContact O-N 3.26Å; N214-Y417 HydrophobicContact CB-CD2 3.68Å; N214-Y417 HydrophobicContact CB-CE2 3.56Å; N214-Y417 HydrophobicContact CB-CG 4.24Å; N214-Y417 PolarHBondContact ND2-OH 2.91Å
215L90.1Very high89.1Confident131 Ų13144.4 Ų44.469%0.68622%0.215SC*.EExtended strand (participates in β ladder)trans-74.1-16.8-178.4-59.7177.6000114.1H413L215-H413 CarbonylContact C-O 3.56Å; L215-H413 CarbonylContact O-C 3.46Å
216E92.6Very high89.4Confident154 Ų15444.5 Ų44.572%0.7222%0.216SC*.EExtended strand (participates in β ladder)trans-112.819.2-176.7-59.3-145.3166.700113.3N214 K218N214-E216 VanDerWaalsContact C-N 3.3Å; N214-E216 PolarHBondContact O-N 2.95Å; N214-E216 PolarHBondContact OD1-N 3.44Å; E216-K218 PolarHBondContact O-N 2.9Å
217H94.1Very high89.7Confident28 Ų2846.5 Ų46.513%0.1323%0.226CC..EExtended strand (participates in β ladder)trans-61.8133.8175.8-179.383.3000110.4N214 S219 S412 H413 Y415 Y417N214-H217 HydrophobicContact CB-CB 4.48Å; H217-S219 PolarHBondContact CD2-OG 3.5Å; H217-S219 PolarHBondContact NE2-OG 3.38Å; H217-S412 VanDerWaalsContact O-CA 3.3Å; H217-S412 WeakPolarHBondContact O-CA 3.4Å; H217-H413 AromaticContact CD2-NE2 3.95Å; H217-H413 PolarHBondContact N-O 2.9Å; H217-H413 PolarHBondContact O-N 2.83Å; H217-Y415 VanDerWaalsContact CB-CB 3.45Å; H217-Y415 HydrophobicContact CB-CG 4.37Å; H217-Y415 AromaticContact CD2-CD2 3.84Å; H217-Y415 AromaticContact CD2-CG 3.61Å; H217-Y415 VanDerWaalsContact CG-CB 3.45Å; H217-Y415 AromaticContact CG-CG 3.84Å; H217-Y415 AromaticContact NE2-CG 3.97Å; H217-Y417 HydrophobicContact CB-CE2 4.11Å; H217-Y417 AromaticContact ND1-CE2 3.48Å; H217-Y417 WeakPolarHBondContact ND1-CE2 3.41Å; H217-Y417 AromaticContact ND1-CZ 3.55Å; H217-Y417 PolarHBondContact ND1-OH 3.25Å
218K94.2Very high90.6Very high152 Ų15246.7 Ų46.766%0.66123%0.226SC*.EExtended strand (participates in β ladder)trans-101.1122.4-178.4-68.4-176.8-179.9-179.30110.3E216 V410 I411E216-K218 PolarHBondContact O-N 2.9Å; K218-V410 HydrophobicContact CB-CG1 4.21Å; K218-I411 WeakPolarHBondContact CA-O 3.46Å
219S94.5Very high91.4Very high9 Ų944.6 Ų44.66%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-122.3144.3175.7-54.50000110.8H217 S221 V410 I411 H413H217-S219 PolarHBondContact CD2-OG 3.5Å; H217-S219 PolarHBondContact NE2-OG 3.38Å; S219-S221 PolarHBondContact O-N 2.95Å; S219-V410 WeakPolarHBondContact O-CA 3.39Å; S219-I411 PolarHBondContact N-O 3.26Å; S219-I411 PolarHBondContact O-N 3.46Å; S219-H413 PolarHBondContact OG-NE2 3.03Å
220C94Very high92.6Very high32 Ų3249.8 Ų49.822%0.21623%0.234CC..EExtended strand (participates in β ladder)trans-81.6110.7171-170.40000108.8I398C220-I398 HydrophobicContact CB-CD1 3.84Å
221S94.7Very high93.3Very high1 Ų151.4 Ų51.41%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-87.8130.4175.9-177.70000110.4S219 W250 T251 K408 E409S219-S221 PolarHBondContact O-N 2.95Å; S221-W250 PolarHBondContact OG-NE1 3.45Å; S221-T251 WeakPolarHBondContact CA-O 3.46Å; S221-K408 VanDerWaalsContact O-CA 3.29Å; S221-K408 WeakPolarHBondContact O-CA 3.45Å; S221-E409 PolarHBondContact N-O 3.02Å; S221-E409 PolarHBondContact O-N 3.12Å
222V96.3Very high93.7Very high1 Ų152.2 Ų52.21%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-124.3141.1179.4-60.90000111L224 W250 T251 P254 I398 K408V222-L224 HydrophobicContact CB-CD2 4.22Å; V222-L224 HydrophobicContact CG2-CD1 4.38Å; V222-L224 HydrophobicContact CG2-CD2 4.11Å; V222-L224 HydrophobicContact CG2-CG 4.17Å; V222-W250 WeakPolarHBondContact O-CA 3.37Å; V222-T251 HydrophobicContact CG2-CG2 3.62Å; V222-T251 PolarHBondContact N-O 2.83Å; V222-T251 PolarHBondContact O-N 3.37Å; V222-T251 VanDerWaalsContact O-N 3.13Å; V222-P254 HydrophobicContact CG1-CG 4.09Å; V222-P254 HydrophobicContact CG2-CB 4.24Å; V222-P254 HydrophobicContact CG2-CG 3.86Å; V222-I398 HydrophobicContact CG1-CG1 4.44Å; V222-K408 HydrophobicContact CG1-CB 4.28Å
223Y96.9Very high94Very high5 Ų554.6 Ų54.62%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-112.6119.6172.7-58.3-97.6000107.7I249 W250 F289 K292 T342 I406 H407 E409Y223-I249 WeakPolarHBondContact CA-O 3.08Å; Y223-W250 HydrophobicContact CD1-CB 4.04Å; Y223-W250 AromaticContact CD1-CD1 3.66Å; Y223-W250 HydrophobicContact CD1-CG 4.17Å; Y223-W250 HydrophobicContact CE1-CB 4.24Å; Y223-W250 AromaticContact CE1-CD1 3.34Å; Y223-W250 AromaticContact CE1-CG 3.96Å; Y223-W250 HydrophobicContact CE1-CG 3.96Å; Y223-W250 AromaticContact CZ-CD1 3.6Å; Y223-W250 AromaticContact CZ-NE1 3.87Å; Y223-F289 HydrophobicContact CD1-CE1 4.14Å; Y223-F289 HydrophobicContact CD1-CE2 4.38Å; Y223-F289 AromaticContact CD1-CZ 3.59Å; Y223-F289 HydrophobicContact CD1-CZ 3.59Å; Y223-F289 HydrophobicContact CE1-CE1 4.14Å; Y223-F289 AromaticContact CE1-CE2 3.57Å; Y223-F289 HydrophobicContact CE1-CE2 3.57Å; Y223-F289 AromaticContact CE1-CZ 3.2Å; Y223-F289 HydrophobicContact CE1-CZ 3.2Å; Y223-K292 PolarHBondContact OH-NZ 3.23Å; Y223-T342 HydrophobicContact CD1-CG2 3.9Å; Y223-T342 HydrophobicContact CE1-CG2 4.32Å; Y223-I406 WeakPolarHBondContact O-CG1 3.1Å; Y223-I406 PolarHBondContact O-N 3Å; Y223-H407 HydrophobicContact CD2-CB 3.86Å; Y223-H407 AromaticContact CD2-CD2 3.86Å; Y223-H407 AromaticContact CE2-CD2 3.81Å; Y223-H407 HydrophobicContact CG-CB 4.36Å; Y223-H407 PolarHBondContact N-O 3.34Å; Y223-E409 HydrophobicContact CE2-CG 4.28Å; Y223-E409 WeakPolarHBondContact CE2-OE1 3.34Å; Y223-E409 PolarHBondContact OH-OE1 3.32Å
224L96.9Very high94.1Very high0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans-115.1138.3-172.2-50.3173.2000109.7V222 I248 I249 I257 L401 I404 T405V222-L224 HydrophobicContact CB-CD2 4.22Å; V222-L224 HydrophobicContact CG2-CD1 4.38Å; V222-L224 HydrophobicContact CG2-CD2 4.11Å; V222-L224 HydrophobicContact CG2-CG 4.17Å; L224-I248 WeakPolarHBondContact O-CA 3.44Å; L224-I249 HydrophobicContact CB-CD1 4.28Å; L224-I249 HydrophobicContact CB-CG1 3.83Å; L224-I249 HydrophobicContact CD1-CD1 4.29Å; L224-I249 PolarHBondContact N-O 3.13Å; L224-I249 PolarHBondContact O-N 3.19Å; L224-I257 HydrophobicContact CD1-CD1 3.84Å; L224-I257 HydrophobicContact CD1-CG1 4.08Å; L224-L401 HydrophobicContact CD1-CD1 4.05Å; L224-L401 HydrophobicContact CD2-CB 4.1Å; L224-L401 HydrophobicContact CD2-CD1 4.33Å; L224-I404 WeakPolarHBondContact CA-O 3.32Å; L224-I404 HydrophobicContact CB-CD1 4.49Å; L224-I404 HydrophobicContact CD2-CG1 4.37Å; L224-T405 WeakPolarHBondContact CD2-OG1 3.29Å
225K96Very high94.2Very high38 Ų3851.1 Ų51.117%0.16525%0.245CC..EExtended strand (participates in β ladder)trans-92.3122.5170.166.4176.3-179.2176.30110Y246 I248 E281 I404 I406K225-Y246 HydrophobicContact CB-CD1 3.82Å; K225-Y246 HydrophobicContact CB-CG 4.05Å; K225-Y246 HydrophobicContact CD-CD1 3.98Å; K225-Y246 HydrophobicContact CD-CE1 4.08Å; K225-Y246 HydrophobicContact CD-CG 4.22Å; K225-Y246 HydrophobicContact CG-CD1 3.88Å; K225-Y246 HydrophobicContact CG-CE1 4.22Å; K225-Y246 HydrophobicContact CG-CG 4.4Å; K225-I248 HydrophobicContact CB-CD1 3.68Å; K225-E281 IonicContact NZ-OE1 3.55Å; K225-E281 PolarHBondContact NZ-OE1 2.85Å; K225-E281 IonicContact NZ-OE2 3.94Å; K225-E281 PolarHBondContact NZ-OE2 2.76Å; K225-I404 WeakPolarHBondContact CG-O 3.35Å; K225-I404 PolarHBondContact N-O 3.42Å; K225-I406 HydrophobicContact CB-CG2 3.95Å; K225-I406 HydrophobicContact CD-CG2 3.9Å; K225-I406 HydrophobicContact CG-CG2 3.98Å
226V96.4Very high94.3Very high4 Ų451.6 Ų51.62%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-112.6129.1175.5-60.90000110Y246 A247 I249 Y318 P321V226-Y246 CarbonylContact O-C 3.37Å; V226-Y246 WeakPolarHBondContact O-CA 3.33Å; V226-A247 HydrophobicContact CG2-CB 3.85Å; V226-A247 WeakPolarHBondContact CG2-O 3.27Å; V226-A247 PolarHBondContact N-O 3.03Å; V226-A247 PolarHBondContact O-N 2.84Å; V226-I249 HydrophobicContact CG1-CD1 3.71Å; V226-I249 HydrophobicContact CG1-CG1 4.14Å; V226-I249 HydrophobicContact CG2-CG2 4.26Å; V226-Y318 HydrophobicContact CB-CD2 3.78Å; V226-Y318 HydrophobicContact CB-CE2 4.45Å; V226-Y318 HydrophobicContact CG1-CD2 4.34Å; V226-Y318 HydrophobicContact CG2-CD2 3.75Å; V226-Y318 HydrophobicContact CG2-CE2 4.38Å; V226-Y318 HydrophobicContact CG2-CG 4.18Å; V226-P321 HydrophobicContact CG1-CB 4.44Å; V226-P321 HydrophobicContact CG1-CG 3.85Å
227I95.7Very high94.3Very high51 Ų5150.3 Ų50.326%0.26223%0.23SC..EExtended strand (participates in β ladder)trans-77.6128.6-172.4-172.3168.3000110.7N244 Y246 Y318 Y319I227-N244 HydrophobicContact CD1-CB 4.46Å; I227-Y246 HydrophobicContact CB-CD1 3.89Å; I227-Y246 HydrophobicContact CB-CE1 3.63Å; I227-Y246 HydrophobicContact CD1-CE1 4.4Å; I227-Y246 HydrophobicContact CG1-CD1 4.5Å; I227-Y246 HydrophobicContact CG1-CE1 4.11Å; I227-Y318 CarbonylContact O-C 3.56Å; I227-Y318 WeakPolarHBondContact O-CA 3.37Å; I227-Y318 VanDerWaalsContact O-CB 3.22Å; I227-Y318 WeakPolarHBondContact O-CB 3.48Å; I227-Y319 HydrophobicContact CG2-CD2 3.61Å; I227-Y319 HydrophobicContact CG2-CG 4.19Å; I227-Y319 PolarHBondContact O-N 3.37Å
228L95.8Very high94.2Very high11 Ų1151.9 Ų51.96%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-77.9131.3173.7-75.6132000110.2Y231 L235 V245 A247 C316 F317 F330L228-Y231 HydrophobicContact CB-CD1 4.04Å; L228-L235 HydrophobicContact CD1-CD2 4.36Å; L228-V245 HydrophobicContact CB-CB 4.28Å; L228-V245 HydrophobicContact CD1-CB 3.96Å; L228-V245 HydrophobicContact CD1-CG1 3.48Å; L228-V245 VanDerWaalsContact CD1-CG1 3.48Å; L228-V245 PolarHBondContact N-O 2.76Å; L228-A247 HydrophobicContact CD1-CB 4.33Å; L228-C316 HydrophobicContact CD2-CB 3.95Å; L228-F317 CarbonylContact C-O 3.55Å; L228-F317 VanDerWaalsContact CA-O 3.29Å; L228-F317 WeakPolarHBondContact CA-O 3.17Å; L228-F330 HydrophobicContact CD2-CE2 4.17Å; L228-F330 HydrophobicContact CD2-CZ 4.33Å
229T93.9Very high94Very high39 Ų3945.5 Ų45.524%0.23921%0.209CC..EExtended strand (participates in β ladder)trans-100.7-36.5179.554.90000111.6F317 Y319 E327T229-F317 PolarHBondContact N-O 3.04Å; T229-F317 WeakPolarHBondContact OG1-CB 3.45Å; T229-F317 PolarHBondContact OG1-O 3.41Å; T229-Y319 HydrophobicContact CG2-CD1 3.7Å; T229-Y319 HydrophobicContact CG2-CD2 3.35Å; T229-Y319 HydrophobicContact CG2-CE1 3.69Å; T229-Y319 HydrophobicContact CG2-CE2 3.34Å; T229-Y319 HydrophobicContact CG2-CG 3.51Å; T229-Y319 VanDerWaalsContact CG2-CZ 3.49Å; T229-E327 WeakPolarHBondContact CB-OE1 3.39Å; T229-E327 VanDerWaalsContact OG1-CD 3.27Å; T229-E327 WeakPolarHBondContact OG1-CG 3.37Å; T229-E327 PolarHBondContact OG1-OE1 2.84Å
230R93.9Very high93.6Very high133 Ų13347.9 Ų47.950%0.50223%0.225SC..EExtended strand (participates in β ladder)trans-133.8141176.2-61.7169.161.7-173.2-3.2109.4C316 F317 E327R230-C316 CarbonylContact O-C 3.54Å; R230-C316 VanDerWaalsContact O-CA 3.31Å; R230-C316 WeakPolarHBondContact O-CA 3.29Å; R230-F317 HydrophobicContact CB-CB 4.07Å; R230-F317 HydrophobicContact CB-CD2 4.05Å; R230-F317 HydrophobicContact CB-CG 4.47Å; R230-F317 PolarHBondContact N-O 2.92Å; R230-F317 PolarHBondContact O-N 2.96Å; R230-E327 WeakPolarHBondContact CD-OE2 3.4Å; R230-E327 IonicContact NH1-OE2 3.22Å
231Y93.7Very high92.9Very high46 Ų4656.3 Ų56.318%0.1826%0.258CS..  trans-158.2149.7174.848-92000109.3L228 L235 R236 V245L228-Y231 HydrophobicContact CB-CD1 4.04Å; Y231-L235 HydrophobicContact CD2-CB 4.22Å; Y231-L235 HydrophobicContact CD2-CD2 4.27Å; Y231-L235 HydrophobicContact CD2-CG 4.2Å; Y231-L235 HydrophobicContact CG-CD2 3.96Å; Y231-L235 HydrophobicContact CG-CG 4.4Å; Y231-R236 HydrophobicContact CD2-CB 4.06Å; Y231-R236 HydrophobicContact CE2-CB 3.9Å; Y231-R236 HydrophobicContact CE2-CG 4.12Å; Y231-V245 HydrophobicContact CE1-CB 4.42Å; Y231-V245 HydrophobicContact CE1-CG2 3.96Å
232N91.6Very high92.4Very high27 Ų2763.5 Ų63.514%0.14430%0.297CS..  trans-77.7-179.9-174.167.530.8000112.8H234 L235 R236 D312 C314N232-H234 PolarHBondContact O-N 3.41Å; N232-H234 WeakPolarHBondContact OD1-CA 3.47Å; N232-H234 VanDerWaalsContact OD1-CB 3.27Å; N232-H234 WeakPolarHBondContact OD1-CB 3.44Å; N232-H234 PolarHBondContact OD1-N 3.29Å; N232-L235 PolarHBondContact O-N 2.88Å; N232-L235 PolarHBondContact OD1-N 3.47Å; N232-R236 WeakPolarHBondContact O-CB 3.34Å; N232-R236 PolarHBondContact O-N 3.05Å; N232-D312 PolarHBondContact ND2-O 3.24Å; N232-D312 PolarHBondContact OD1-O 3.32Å; N232-C314 PolarHBondContact ND2-O 3.15Å
233N91.8Very high92.2Very high125 Ų12563.9 Ų63.967%0.66830%0.3SS*.Hα-helixtrans-66.5-22.4-178.5-71.1-28.1000113.6K237N233-K237 PolarHBondContact O-N 3.45Å
234H93.1Very high92.1Very high87 Ų8767.7 Ų67.740%0.40332%0.32SS..Hα-helixtrans-67.1-43.9179-63.1-107.7000110.7N232 K237 L308 D312N232-H234 PolarHBondContact O-N 3.41Å; N232-H234 WeakPolarHBondContact OD1-CA 3.47Å; N232-H234 VanDerWaalsContact OD1-CB 3.27Å; N232-H234 WeakPolarHBondContact OD1-CB 3.44Å; N232-H234 PolarHBondContact OD1-N 3.29Å; H234-K237 VanDerWaalsContact O-CD 3.29Å; H234-K237 WeakPolarHBondContact O-CD 3.49Å; H234-K237 WeakPolarHBondContact O-CE 3.39Å; H234-K237 VanDerWaalsContact O-CG 3.26Å; H234-K237 WeakPolarHBondContact O-CG 3.33Å; H234-L308 HydrophobicContact CB-CD2 3.9Å; H234-L308 WeakPolarHBondContact O-CD2 3.15Å; H234-D312 HydrophobicContact CB-CB 3.75Å; H234-D312 IonicContact CE1-OD1 3.21Å; H234-D312 PolarHBondContact CE1-OD1 3.11Å; H234-D312 IonicContact CG-OD1 4Å; H234-D312 IonicContact ND1-OD1 2.93Å; H234-D312 PolarHBondContact ND1-OD1 3.07Å
235L92.3Very high92Very high0 Ų067.9 Ų67.90%032%0.321CS..Hα-helixtrans-76.3-39.4174.3-177.658.3000111.8L228 Y231 N232 K237 Y238 V239 V245 V273 L308L228-L235 HydrophobicContact CD1-CD2 4.36Å; Y231-L235 HydrophobicContact CD2-CB 4.22Å; Y231-L235 HydrophobicContact CD2-CD2 4.27Å; Y231-L235 HydrophobicContact CD2-CG 4.2Å; Y231-L235 HydrophobicContact CG-CD2 3.96Å; Y231-L235 HydrophobicContact CG-CG 4.4Å; N232-L235 PolarHBondContact O-N 2.88Å; N232-L235 PolarHBondContact OD1-N 3.47Å; L235-K237 PolarHBondContact O-N 2.79Å; L235-K237 VanDerWaalsContact O-N 3.11Å; L235-Y238 PolarHBondContact O-N 3.13Å; L235-Y238 VanDerWaalsContact O-N 3.09Å; L235-V239 HydrophobicContact CD1-CG2 4.42Å; L235-V239 HydrophobicContact CG-CG2 4.38Å; L235-V245 HydrophobicContact CD2-CG1 4.17Å; L235-V273 HydrophobicContact CD1-CG1 4.26Å; L235-V273 HydrophobicContact CD1-CG2 3.64Å; L235-L308 HydrophobicContact CB-CD1 4.1Å; L235-L308 HydrophobicContact CD1-CD1 3.65Å; L235-L308 HydrophobicContact CG-CD1 4.41Å
236R92.4Very high92.1Very high141 Ų14167.4 Ų67.453%0.53232%0.319SS..Hα-helixtrans-59-27.5-175.9-170.4172.1-80.9-160-5.7113.8Y231 N232 Y238 V239Y231-R236 HydrophobicContact CD2-CB 4.06Å; Y231-R236 HydrophobicContact CE2-CB 3.9Å; Y231-R236 HydrophobicContact CE2-CG 4.12Å; N232-R236 WeakPolarHBondContact O-CB 3.34Å; N232-R236 PolarHBondContact O-N 3.05Å; R236-Y238 PolarHBondContact O-N 2.98Å; R236-V239 PolarHBondContact O-N 2.9Å
237K92.6Very high92.1Very high127 Ų12767.2 Ų67.255%0.55232%0.318SS*.THydrogen-bonded Turntrans-64.3-18.9178.278.9-162.2-179.2-176.10114.4N233 H234 L235N233-K237 PolarHBondContact O-N 3.45Å; H234-K237 VanDerWaalsContact O-CD 3.29Å; H234-K237 WeakPolarHBondContact O-CD 3.49Å; H234-K237 WeakPolarHBondContact O-CE 3.39Å; H234-K237 VanDerWaalsContact O-CG 3.26Å; H234-K237 WeakPolarHBondContact O-CG 3.33Å; L235-K237 PolarHBondContact O-N 2.79Å; L235-K237 VanDerWaalsContact O-N 3.11Å
238Y91.3Very high92.2Very high61 Ų6164.8 Ų64.824%0.23931%0.305CS..THydrogen-bonded Turntrans-104.5-0179.6-55-62.8000113.5L235 R236 V273 V305 G306 E307 L308L235-Y238 PolarHBondContact O-N 3.13Å; L235-Y238 VanDerWaalsContact O-N 3.09Å; R236-Y238 PolarHBondContact O-N 2.98Å; Y238-V273 HydrophobicContact CD2-CG2 3.99Å; Y238-V305 VanDerWaalsContact CD1-O 3.28Å; Y238-V305 WeakPolarHBondContact CD1-O 3.17Å; Y238-G306 VanDerWaalsContact CE1-CA 3.5Å; Y238-E307 WeakPolarHBondContact CE2-O 3.18Å; Y238-E307 PolarHBondContact OH-O 3.24Å; Y238-L308 HydrophobicContact CD2-CD2 4.44Å; Y238-L308 HydrophobicContact CE2-CD2 3.84Å; Y238-L308 HydrophobicContact CE2-CG 4.18Å
239V89.5Confident92.3Very high18 Ų1864.3 Ų64.311%0.10930%0.303CS..SBendtrans-117.8123.1-169.81780000109.9L235 R236 V245 V282L235-V239 HydrophobicContact CD1-CG2 4.42Å; L235-V239 HydrophobicContact CG-CG2 4.38Å; R236-V239 PolarHBondContact O-N 2.9Å; V239-V245 HydrophobicContact CB-CG2 4.17Å; V239-V245 HydrophobicContact CG1-CG2 3.34Å; V239-V245 HydrophobicContact CG2-CG1 4.44Å; V239-V245 HydrophobicContact CG2-CG2 3.72Å; V239-V282 HydrophobicContact CG2-CG1 4.26Å; V239-V282 HydrophobicContact CG2-CG2 4.49Å
240S86.7Confident92.3Very high58 Ų5865.7 Ų65.741%0.40630%0.304SS..  trans-66.2144.9169.421.50000111.6D242 S243S240-D242 PolarHBondContact O-N 3.29Å; S240-S243 WeakPolarHBondContact O-CB 3.49Å; S240-S243 PolarHBondContact O-N 3.05Å; S240-S243 PolarHBondContact OG-OG 2.65Å
241K80.3Confident92.4Very high209 Ų20960 Ų6091%0.90928%0.284SS*.THydrogen-bonded Turntrans-53.1-29.9-177.4-84.9-174.7175.1-179.40114.6
242D84.3Confident92.4Very high152 Ų15259 Ų5981%0.81328%0.282SS*.THydrogen-bonded Turntrans-97.65-176.1-45.1-41.1000113S240S240-D242 PolarHBondContact O-N 3.29Å
243S91.1Very high92.6Very high10 Ų1059.7 Ų59.77%0.0729%0.286CS..PPolyproline II helixtrans-91.5128.8-178.7-74.60000111.5S240 Q275 R280S240-S243 WeakPolarHBondContact O-CB 3.49Å; S240-S243 PolarHBondContact O-N 3.05Å; S240-S243 PolarHBondContact OG-OG 2.65Å; S243-Q275 PolarHBondContact OG-NE2 3.11Å; S243-R280 WeakPolarHBondContact CB-O 3.29Å; S243-R280 PolarHBondContact OG-O 2.95Å
244N93.8Very high92.8Very high85 Ų8553.7 Ų53.746%0.45525%0.254SS..PPolyproline II helixtrans-73.2129164.1-70.3-19.2000109.5I227 Y246 E281 V282I227-N244 HydrophobicContact CD1-CB 4.46Å; N244-Y246 HydrophobicContact CB-CD2 4.35Å; N244-Y246 HydrophobicContact CB-CE2 3.49Å; N244-Y246 VanDerWaalsContact CB-CE2 3.49Å; N244-E281 WeakPolarHBondContact O-CA 3.34Å; N244-V282 PolarHBondContact O-N 3.1Å
245V96.3Very high92.9Very high3 Ų350 Ų502%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-102.8131.4177.2-163.70000108.2L228 Y231 L235 V239 V282L228-V245 HydrophobicContact CB-CB 4.28Å; L228-V245 HydrophobicContact CD1-CB 3.96Å; L228-V245 HydrophobicContact CD1-CG1 3.48Å; L228-V245 VanDerWaalsContact CD1-CG1 3.48Å; L228-V245 PolarHBondContact N-O 2.76Å; Y231-V245 HydrophobicContact CE1-CB 4.42Å; Y231-V245 HydrophobicContact CE1-CG2 3.96Å; L235-V245 HydrophobicContact CD2-CG1 4.17Å; V239-V245 HydrophobicContact CB-CG2 4.17Å; V239-V245 HydrophobicContact CG1-CG2 3.34Å; V239-V245 HydrophobicContact CG2-CG1 4.44Å; V239-V245 HydrophobicContact CG2-CG2 3.72Å; V245-V282 CarbonylContact C-O 3.51Å; V245-V282 WeakPolarHBondContact CA-O 3.25Å; V245-V282 HydrophobicContact CG1-CB 4.13Å; V245-V282 HydrophobicContact CG1-CG1 4.06Å; V245-V282 HydrophobicContact CG2-CB 4.4Å
246Y97.1Very high93Very high28 Ų2850.3 Ų50.311%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-122.9139.4177.4-60.8-94.6000110.4K225 V226 I227 N244 E281 V282 Y283 L284K225-Y246 HydrophobicContact CB-CD1 3.82Å; K225-Y246 HydrophobicContact CB-CG 4.05Å; K225-Y246 HydrophobicContact CD-CD1 3.98Å; K225-Y246 HydrophobicContact CD-CE1 4.08Å; K225-Y246 HydrophobicContact CD-CG 4.22Å; K225-Y246 HydrophobicContact CG-CD1 3.88Å; K225-Y246 HydrophobicContact CG-CE1 4.22Å; K225-Y246 HydrophobicContact CG-CG 4.4Å; V226-Y246 CarbonylContact O-C 3.37Å; V226-Y246 WeakPolarHBondContact O-CA 3.33Å; I227-Y246 HydrophobicContact CB-CD1 3.89Å; I227-Y246 HydrophobicContact CB-CE1 3.63Å; I227-Y246 HydrophobicContact CD1-CE1 4.4Å; I227-Y246 HydrophobicContact CG1-CD1 4.5Å; I227-Y246 HydrophobicContact CG1-CE1 4.11Å; N244-Y246 HydrophobicContact CB-CD2 4.35Å; N244-Y246 HydrophobicContact CB-CE2 3.49Å; N244-Y246 VanDerWaalsContact CB-CE2 3.49Å; Y246-E281 HydrophobicContact CD2-CB 4.16Å; Y246-E281 HydrophobicContact CD2-CG 4.32Å; Y246-E281 HydrophobicContact CE2-CB 4.1Å; Y246-E281 HydrophobicContact CE2-CG 3.75Å; Y246-E281 WeakPolarHBondContact CE2-OE1 3.47Å; Y246-V282 PolarHBondContact N-O 3.4Å; Y246-Y283 HydrophobicContact CD2-CD1 4.26Å; Y246-Y283 HydrophobicContact CD2-CE1 4.02Å; Y246-Y283 HydrophobicContact CG-CE1 4.47Å; Y246-Y283 CarbonylContact O-C 3.57Å; Y246-Y283 VanDerWaalsContact O-CA 3.31Å; Y246-Y283 WeakPolarHBondContact O-CA 3.42Å; Y246-L284 PolarHBondContact O-N 3.41Å
247A97.3Very high93.2Very high0 Ų043.6 Ų43.60%021%0.213CC..EExtended strand (participates in β ladder)trans-88.514115900000109.4V226 L228 F330 L344V226-A247 HydrophobicContact CG2-CB 3.85Å; V226-A247 WeakPolarHBondContact CG2-O 3.27Å; V226-A247 PolarHBondContact N-O 3.03Å; V226-A247 PolarHBondContact O-N 2.84Å; L228-A247 HydrophobicContact CD1-CB 4.33Å; A247-F330 HydrophobicContact CB-CE1 4.33Å; A247-F330 HydrophobicContact CB-CE2 4.46Å; A247-F330 HydrophobicContact CB-CZ 3.54Å; A247-L344 HydrophobicContact CB-CD1 3.76Å
248I97.5Very high93.3Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-101117.1176.3-49.1-50.5000108.8L224 K225 Y283 L284 V285 L293 T342 I406L224-I248 WeakPolarHBondContact O-CA 3.44Å; K225-I248 HydrophobicContact CB-CD1 3.68Å; I248-Y283 HydrophobicContact CD1-CD1 4.03Å; I248-Y283 HydrophobicContact CD1-CD2 4.42Å; I248-Y283 HydrophobicContact CD1-CG 3.96Å; I248-Y283 HydrophobicContact CG1-CG 4.3Å; I248-L284 PolarHBondContact N-O 2.93Å; I248-L284 VanDerWaalsContact N-O 3.09Å; I248-V285 HydrophobicContact CB-CG1 3.59Å; I248-V285 HydrophobicContact CG1-CG1 3.73Å; I248-V285 HydrophobicContact CG2-CG1 4.4Å; I248-L293 HydrophobicContact CG1-CD2 4.14Å; I248-T342 HydrophobicContact CB-CG2 4.41Å; I248-T342 HydrophobicContact CG2-CG2 3.88Å; I248-T342 WeakPolarHBondContact O-CB 3.35Å; I248-T342 PolarHBondContact O-OG1 2.82Å; I248-I406 HydrophobicContact CB-CD1 4.4Å; I248-I406 HydrophobicContact CD1-CD1 3.98Å; I248-I406 HydrophobicContact CG1-CD1 4.15Å; I248-I406 HydrophobicContact CG2-CD1 3.39Å; I248-I406 HydrophobicContact CG2-CG1 4.31Å
249I96.9Very high93.4Very high2 Ų235.6 Ų35.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-104.8160.9175.462.8173000110.3Y223 L224 V226 I257 V263 P321 L344 H346Y223-I249 WeakPolarHBondContact CA-O 3.08Å; L224-I249 HydrophobicContact CB-CD1 4.28Å; L224-I249 HydrophobicContact CB-CG1 3.83Å; L224-I249 HydrophobicContact CD1-CD1 4.29Å; L224-I249 PolarHBondContact N-O 3.13Å; L224-I249 PolarHBondContact O-N 3.19Å; V226-I249 HydrophobicContact CG1-CD1 3.71Å; V226-I249 HydrophobicContact CG1-CG1 4.14Å; V226-I249 HydrophobicContact CG2-CG2 4.26Å; I249-I257 HydrophobicContact CD1-CD1 3.9Å; I249-V263 HydrophobicContact CG2-CG1 4.34Å; I249-V263 HydrophobicContact CG2-CG2 3.75Å; I249-P321 HydrophobicContact CD1-CG 4.43Å; I249-L344 HydrophobicContact CG2-CB 4.39Å; I249-H346 HydrophobicContact CB-CB 4.49Å; I249-H346 HydrophobicContact CD1-CB 3.89Å
250W95.7Very high93.8Very high67 Ų6734.8 Ų34.825%0.25418%0.175SC..EExtended strand (participates in β ladder)trans-135.9141.8-177.4168.474.2000111S221 V222 Y223 T252 V340 T342S221-W250 PolarHBondContact OG-NE1 3.45Å; V222-W250 WeakPolarHBondContact O-CA 3.37Å; Y223-W250 HydrophobicContact CD1-CB 4.04Å; Y223-W250 AromaticContact CD1-CD1 3.66Å; Y223-W250 HydrophobicContact CD1-CG 4.17Å; Y223-W250 HydrophobicContact CE1-CB 4.24Å; Y223-W250 AromaticContact CE1-CD1 3.34Å; Y223-W250 AromaticContact CE1-CG 3.96Å; Y223-W250 HydrophobicContact CE1-CG 3.96Å; Y223-W250 AromaticContact CZ-CD1 3.6Å; Y223-W250 AromaticContact CZ-NE1 3.87Å; W250-T252 HydrophobicContact CH2-CG2 4.18Å; W250-T252 HydrophobicContact CZ2-CG2 3.65Å; W250-V340 HydrophobicContact CH2-CG1 4.39Å; W250-V340 HydrophobicContact CZ3-CG1 3.97Å; W250-T342 HydrophobicContact CB-CG2 3.8Å
251T95.3Very high94.2Very high14 Ų1432.2 Ų32.29%0.08616%0.156CC..EExtended strand (participates in β ladder)trans-151.5150.3172-1760000111.7S221 V222 N253S221-T251 WeakPolarHBondContact CA-O 3.46Å; V222-T251 HydrophobicContact CG2-CG2 3.62Å; V222-T251 PolarHBondContact N-O 2.83Å; V222-T251 PolarHBondContact O-N 3.37Å; V222-T251 VanDerWaalsContact O-N 3.13Å; T251-N253 PolarHBondContact OG1-N 2.82Å
252T94.4Very high95Very high24 Ų2422.2 Ų22.215%0.14711%0.113CC..SBendtrans-97.2-8.3168.858.30000112.6W250 P254 I411W250-T252 HydrophobicContact CH2-CG2 4.18Å; W250-T252 HydrophobicContact CZ2-CG2 3.65Å; T252-P254 VanDerWaalsContact C-CD 3.44Å; T252-P254 WeakPolarHBondContact O-CD 3.48Å; T252-I411 HydrophobicContact CG2-CD1 3.63Å
253N94.3Very high95.7Very high42 Ų4215 Ų1523%0.2257%0.074CC..  trans-121.471.2-179.8-64.9-25.7000109.9T251 W255 T256T251-N253 PolarHBondContact OG1-N 2.82Å; N253-W255 PolarHBondContact O-N 3.45Å; N253-T256 HydrophobicContact CB-CG2 3.87Å; N253-T256 PolarHBondContact O-N 3.12Å; N253-T256 PolarHBondContact O-OG1 3.44Å
254P95.7Very high96Very high0 Ų014.5 Ų14.50%07%0.071CC..G310 helixtrans-50.7-35-175.2-27.533.3000114.6V222 T252 T256 I257 N394 V397 I398 L401V222-P254 HydrophobicContact CG1-CG 4.09Å; V222-P254 HydrophobicContact CG2-CB 4.24Å; V222-P254 HydrophobicContact CG2-CG 3.86Å; T252-P254 VanDerWaalsContact C-CD 3.44Å; T252-P254 WeakPolarHBondContact O-CD 3.48Å; P254-T256 PolarHBondContact O-N 3.21Å; P254-T256 VanDerWaalsContact O-N 3.14Å; P254-I257 VanDerWaalsContact O-CB 3.3Å; P254-I257 WeakPolarHBondContact O-CB 3.39Å; P254-I257 VanDerWaalsContact O-CG2 3.27Å; P254-I257 WeakPolarHBondContact O-CG2 3.18Å; P254-I257 PolarHBondContact O-N 3.24Å; P254-I257 VanDerWaalsContact O-N 3.11Å; P254-N394 WeakPolarHBondContact CD-OD1 3.48Å; P254-V397 HydrophobicContact CB-CG1 4.27Å; P254-V397 WeakPolarHBondContact O-CG1 3.31Å; P254-I398 HydrophobicContact CB-CG1 3.75Å; P254-I398 HydrophobicContact CG-CD1 4.04Å; P254-I398 HydrophobicContact CG-CG1 3.66Å; P254-L401 HydrophobicContact CB-CD1 4.37Å
255W95.3Very high96.1Very high9 Ų910.8 Ų10.83%0.0345%0.051CC..G310 helixtrans-56.6-24.8177.766.2-95.8000114.7N253 I257 H351 V370 F376 V389 N394 V426N253-W255 PolarHBondContact O-N 3.45Å; W255-I257 PolarHBondContact O-N 3.14Å; W255-H351 HydrophobicContact CH2-CB 4.36Å; W255-H351 AromaticContact CH2-CG 3.88Å; W255-H351 AromaticContact CH2-ND1 3.56Å; W255-H351 AromaticContact CZ3-CD2 3.96Å; W255-H351 AromaticContact CZ3-CE1 3.56Å; W255-H351 AromaticContact CZ3-CG 3.8Å; W255-H351 AromaticContact CZ3-ND1 3.53Å; W255-H351 AromaticContact CZ3-NE2 3.83Å; W255-V370 HydrophobicContact CE3-CG2 4.04Å; W255-V370 HydrophobicContact CZ3-CG2 3.74Å; W255-F376 HydrophobicContact CB-CZ 3.76Å; W255-V389 HydrophobicContact CB-CB 4.23Å; W255-V389 VanDerWaalsContact CD1-O 3.25Å; W255-V389 HydrophobicContact CD2-CB 3.81Å; W255-V389 HydrophobicContact CD2-CG1 4.43Å; W255-V389 HydrophobicContact CD2-CG2 4.13Å; W255-V389 HydrophobicContact CE3-CB 3.98Å; W255-V389 HydrophobicContact CE3-CG1 4.13Å; W255-V389 HydrophobicContact CE3-CG2 4.25Å; W255-V389 HydrophobicContact CG-CB 3.95Å; W255-V389 HydrophobicContact CZ2-CG2 4.39Å; W255-V389 HydrophobicContact CZ3-CG2 4.44Å; W255-N394 PolarHBondContact N-OD1 2.9Å; W255-N394 VanDerWaalsContact N-OD1 3.12Å; W255-V426 HydrophobicContact CH2-CB 4.23Å; W255-V426 HydrophobicContact CH2-CG1 4.42Å; W255-V426 HydrophobicContact CZ2-CB 4.15Å; W255-V426 HydrophobicContact CZ2-CG1 3.98Å
256T96.1Very high96.1Very high7 Ų712.3 Ų12.34%0.0436%0.059CC..G310 helixtrans-75.2-11.6179.362.60000113.3N253 P254 F258 S259 H346 H351N253-T256 HydrophobicContact CB-CG2 3.87Å; N253-T256 PolarHBondContact O-N 3.12Å; N253-T256 PolarHBondContact O-OG1 3.44Å; P254-T256 PolarHBondContact O-N 3.21Å; P254-T256 VanDerWaalsContact O-N 3.14Å; T256-F258 PolarHBondContact O-N 2.62Å; T256-F258 VanDerWaalsContact O-N 3.11Å; T256-S259 PolarHBondContact O-N 2.65Å; T256-S259 VanDerWaalsContact O-N 3.08Å; T256-H346 PolarHBondContact OG1-CE1 3Å; T256-H346 VanDerWaalsContact OG1-CE1 3.28Å; T256-H346 PolarHBondContact OG1-NE2 3.16Å; T256-H351 HydrophobicContact CG2-CB 3.85Å
257I95.6Very high96Very high0 Ų013.3 Ų13.30%07%0.067CC..G310 helixtrans-61.2-25.7-173-157.862.2000113.4L224 I249 P254 W255 S259 N260 P321 T322 H346 V397 L401L224-I257 HydrophobicContact CD1-CD1 3.84Å; L224-I257 HydrophobicContact CD1-CG1 4.08Å; I249-I257 HydrophobicContact CD1-CD1 3.9Å; P254-I257 VanDerWaalsContact O-CB 3.3Å; P254-I257 WeakPolarHBondContact O-CB 3.39Å; P254-I257 VanDerWaalsContact O-CG2 3.27Å; P254-I257 WeakPolarHBondContact O-CG2 3.18Å; P254-I257 PolarHBondContact O-N 3.24Å; P254-I257 VanDerWaalsContact O-N 3.11Å; W255-I257 PolarHBondContact O-N 3.14Å; I257-S259 VanDerWaalsContact C-N 3.29Å; I257-S259 PolarHBondContact O-N 3.19Å; I257-N260 WeakPolarHBondContact O-CB 3.43Å; I257-N260 PolarHBondContact O-N 2.88Å; I257-P321 HydrophobicContact CD1-CB 4.33Å; I257-P321 HydrophobicContact CD1-CG 3.89Å; I257-P321 HydrophobicContact CG1-CB 3.83Å; I257-P321 HydrophobicContact CG1-CG 3.88Å; I257-T322 HydrophobicContact CG2-CG2 3.95Å; I257-H346 HydrophobicContact CD1-CB 4.5Å; I257-V397 HydrophobicContact CG2-CG1 4.04Å; I257-L401 HydrophobicContact CB-CD1 4.48Å; I257-L401 HydrophobicContact CG1-CD2 4.42Å; I257-L401 HydrophobicContact CG2-CD1 3.98Å; I257-L401 HydrophobicContact CG2-CD2 4.02Å; I257-L401 HydrophobicContact CG2-CG 4.47Å
258F93.9Very high95.9Very high18 Ų1819.5 Ų19.58%0.07910%0.101CC..G310 helixtrans-68.9-31.4179.6-76.1-89.5000112.6T256 N260 T322 F369 I380 L384 V397 L400T256-F258 PolarHBondContact O-N 2.62Å; T256-F258 VanDerWaalsContact O-N 3.11Å; F258-N260 PolarHBondContact O-N 3.29Å; F258-T322 HydrophobicContact CD1-CG2 4.04Å; F258-T322 WeakPolarHBondContact CD1-OG1 3.45Å; F258-T322 HydrophobicContact CE1-CG2 3.83Å; F258-T322 HydrophobicContact CE2-CG2 4.33Å; F258-T322 HydrophobicContact CG-CG2 4.42Å; F258-T322 HydrophobicContact CZ-CG2 3.99Å; F258-F369 HydrophobicContact CB-CD2 3.87Å; F258-F369 HydrophobicContact CB-CE2 4.28Å; F258-F369 VanDerWaalsContact O-CE2 3.31Å; F258-F369 WeakPolarHBondContact O-CE2 3.26Å; F258-I380 HydrophobicContact CB-CD1 3.49Å; F258-I380 VanDerWaalsContact CB-CD1 3.49Å; F258-I380 HydrophobicContact CD1-CD1 3.25Å; F258-I380 HydrophobicContact CD1-CG1 3.87Å; F258-I380 HydrophobicContact CD2-CD1 4.13Å; F258-I380 HydrophobicContact CE1-CD1 3.91Å; F258-I380 HydrophobicContact CE1-CG1 4Å; F258-I380 HydrophobicContact CG-CD1 3.36Å; F258-I380 HydrophobicContact CG-CG1 4.11Å; F258-I380 HydrophobicContact CZ-CG1 4.38Å; F258-L384 HydrophobicContact CE1-CD1 4.21Å; F258-L384 HydrophobicContact CE2-CD1 3.69Å; F258-L384 HydrophobicContact CZ-CD1 3.35Å; F258-V397 HydrophobicContact CD2-CG1 4.47Å; F258-V397 HydrophobicContact CD2-CG2 4.3Å; F258-V397 HydrophobicContact CE2-CB 4.34Å; F258-V397 HydrophobicContact CE2-CG1 3.88Å; F258-V397 HydrophobicContact CE2-CG2 3.6Å; F258-L400 HydrophobicContact CE1-CD2 4.2Å; F258-L400 HydrophobicContact CE2-CD2 4.34Å; F258-L400 HydrophobicContact CZ-CD2 3.47Å; F258-L400 VanDerWaalsContact CZ-CD2 3.47Å
259S95.1Very high95.7Very high2 Ų219.6 Ų19.61%0.01410%0.101CC..G310 helixtrans-85.716177-63.30000112.5T256 I257 A348 P349 H351 N367 F369T256-S259 PolarHBondContact O-N 2.65Å; T256-S259 VanDerWaalsContact O-N 3.08Å; I257-S259 VanDerWaalsContact C-N 3.29Å; I257-S259 PolarHBondContact O-N 3.19Å; S259-A348 WeakPolarHBondContact O-CA 3.47Å; S259-P349 VanDerWaalsContact O-CD 3.26Å; S259-P349 WeakPolarHBondContact O-CD 3.28Å; S259-H351 PolarHBondContact OG-NE2 3.35Å; S259-N367 WeakPolarHBondContact CB-O 3.43Å; S259-N367 PolarHBondContact OG-O 3.12Å; S259-F369 WeakPolarHBondContact OG-CD2 3.45Å
260N96.2Very high95.7Very high0 Ų021.1 Ų21.10%011%0.111CC..  trans-73.1129.5-176.9176.6-124.5000111.8I257 F258 A262 Y318 H320 R323 H346 I347I257-N260 WeakPolarHBondContact O-CB 3.43Å; I257-N260 PolarHBondContact O-N 2.88Å; F258-N260 PolarHBondContact O-N 3.29Å; N260-A262 PolarHBondContact ND2-O 3.21Å; N260-Y318 PolarHBondContact ND2-OH 3.4Å; N260-Y318 PolarHBondContact OD1-OH 3.19Å; N260-H320 PolarHBondContact O-CD2 2.81Å; N260-H320 PolarHBondContact O-NE2 2.9Å; N260-R323 PolarHBondContact O-NH2 2.93Å; N260-H346 PolarHBondContact ND2-ND1 2.82Å; N260-I347 CarbonylContact C-O 3.6Å; N260-I347 WeakPolarHBondContact CA-O 3.35Å; N260-I347 PolarHBondContact ND2-N 3.4Å; N260-I347 VanDerWaalsContact ND2-N 3.17Å; N260-I347 PolarHBondContact ND2-O 2.97Å
261E96.8Very high95.7Very high4 Ų418 Ų182%0.01910%0.099CC..  trans-128.1-4.9179-60.1-56.415100114.1R323 P329 I347 P349 L364 P365 N367E261-R323 IonicContact OE1-CZ 2.61Å; E261-R323 IonicContact OE1-NH1 3.75Å; E261-R323 PolarHBondContact OE1-NH1 2.81Å; E261-R323 IonicContact OE1-NH2 3.36Å; E261-R323 PolarHBondContact OE1-NH2 2.82Å; E261-R323 IonicContact OE2-CZ 2.77Å; E261-R323 IonicContact OE2-NH1 2.69Å; E261-R323 IonicContact OE2-NH2 3.51Å; E261-R323 PolarHBondContact OE2-NH2 2.82Å; E261-P329 WeakPolarHBondContact O-CD 3.28Å; E261-I347 PolarHBondContact N-O 3.4Å; E261-P349 HydrophobicContact CB-CG 4.32Å; E261-P349 HydrophobicContact CG-CG 4.26Å; E261-L364 HydrophobicContact CB-CB 4.16Å; E261-L364 HydrophobicContact CB-CD1 4.15Å; E261-P365 HydrophobicContact CG-CB 4.33Å; E261-P365 WeakPolarHBondContact CG-O 3.44Å; E261-N367 PolarHBondContact OE1-ND2 2.89Å
262A97.5Very high95.8Very high0 Ų017.3 Ų17.30%010%0.095CC..EExtended strand (participates in β ladder)trans-162168.417400000111.6N260 Y318 P329 L331 I347 L364N260-A262 PolarHBondContact ND2-O 3.21Å; A262-Y318 WeakPolarHBondContact CA-OH 3.35Å; A262-Y318 PolarHBondContact N-OH 2.99Å; A262-Y318 PolarHBondContact O-OH 3.48Å; A262-P329 WeakPolarHBondContact CA-O 3.21Å; A262-P329 HydrophobicContact CB-CG 4.35Å; A262-P329 WeakPolarHBondContact CB-O 3.32Å; A262-L331 HydrophobicContact CB-CD1 3.69Å; A262-L331 HydrophobicContact CB-CG 4.12Å; A262-I347 HydrophobicContact CB-CB 4.12Å; A262-I347 HydrophobicContact CB-CG1 4.28Å; A262-I347 PolarHBondContact O-N 2.65Å; A262-L364 HydrophobicContact CB-CD1 3.88Å
263V97.4Very high95.9Very high0 Ų016.2 Ų16.20%09%0.088CC..EExtended strand (participates in β ladder)trans-111.3124.9159168.50000108.5I249 Y318 P329 F330 L331 L344 V345I249-V263 HydrophobicContact CG2-CG1 4.34Å; I249-V263 HydrophobicContact CG2-CG2 3.75Å; V263-Y318 HydrophobicContact CB-CE1 4.05Å; V263-Y318 HydrophobicContact CG2-CD1 4.23Å; V263-Y318 HydrophobicContact CG2-CE1 3.65Å; V263-Y318 HydrophobicContact CG2-CE2 4.14Å; V263-P329 PolarHBondContact N-O 2.93Å; V263-P329 VanDerWaalsContact N-O 3.09Å; V263-F330 HydrophobicContact CB-CD1 4.43Å; V263-F330 HydrophobicContact CB-CD2 4.1Å; V263-F330 HydrophobicContact CB-CE1 4.23Å; V263-F330 HydrophobicContact CB-CE2 3.85Å; V263-F330 HydrophobicContact CB-CG 4.35Å; V263-F330 HydrophobicContact CB-CZ 3.9Å; V263-F330 HydrophobicContact CG1-CD1 4.1Å; V263-F330 HydrophobicContact CG1-CE1 3.67Å; V263-F330 HydrophobicContact CG1-CE2 4.17Å; V263-F330 HydrophobicContact CG1-CZ 3.68Å; V263-F330 HydrophobicContact CG2-CE2 4.29Å; V263-F330 HydrophobicContact CG2-CZ 4.39Å; V263-F330 CarbonylContact O-C 3.52Å; V263-F330 VanDerWaalsContact O-CA 3.27Å; V263-F330 WeakPolarHBondContact O-CA 3.12Å; V263-L331 PolarHBondContact O-N 2.92Å; V263-L344 HydrophobicContact CG1-CB 3.86Å; V263-L344 HydrophobicContact CG1-CD2 4.08Å; V263-L344 HydrophobicContact CG1-CG 4.47Å; V263-V345 CarbonylContact C-O 3.46Å; V263-V345 WeakPolarHBondContact CA-O 3.33Å
264A97.3Very high96Very high0 Ų014.2 Ų14.20%08%0.078CC..EExtended strand (participates in β ladder)trans-91.3144.4176.100000112.4L331 V336 V345 I347 L358A264-L331 VanDerWaalsContact CA-O 3.23Å; A264-L331 WeakPolarHBondContact CA-O 3.41Å; A264-V336 HydrophobicContact CB-CG2 3.65Å; A264-V345 HydrophobicContact CB-CB 4.46Å; A264-V345 PolarHBondContact N-O 2.9Å; A264-V345 PolarHBondContact O-N 3.16Å; A264-I347 HydrophobicContact CB-CD1 3.6Å; A264-I347 HydrophobicContact CB-CG1 3.73Å; A264-L358 HydrophobicContact CB-CD2 3.97Å
265Y96.5Very high96Very high7 Ų715.7 Ų15.73%0.0278%0.084CC..EExtended strand (participates in β ladder)trans-137.4155.2175.765.7-90000111.2V267 Y271 G310 L313 F330 L331 P332 S333Y265-V267 HydrophobicContact CE2-CG1 4.08Å; Y265-Y271 WeakPolarHBondContact CA-OH 3.31Å; Y265-Y271 VanDerWaalsContact CB-OH 3.31Å; Y265-Y271 WeakPolarHBondContact CB-OH 3.43Å; Y265-G310 WeakPolarHBondContact CD2-O 3.42Å; Y265-G310 WeakPolarHBondContact CE2-O 3.32Å; Y265-L313 HydrophobicContact CD1-CB 4.24Å; Y265-L313 HydrophobicContact CD2-CB 4.13Å; Y265-L313 HydrophobicContact CD2-CD1 4.23Å; Y265-L313 HydrophobicContact CE1-CB 4.17Å; Y265-L313 HydrophobicContact CE2-CB 4.07Å; Y265-L313 HydrophobicContact CG-CB 4.21Å; Y265-L313 HydrophobicContact CG-CD1 4.03Å; Y265-F330 HydrophobicContact CD1-CB 3.97Å; Y265-F330 HydrophobicContact CD1-CD1 4.01Å; Y265-F330 HydrophobicContact CD1-CG 4.48Å; Y265-F330 HydrophobicContact CE1-CB 3.78Å; Y265-L331 WeakPolarHBondContact CD1-O 3.38Å; Y265-L331 PolarHBondContact N-O 2.6Å; Y265-P332 HydrophobicContact CE2-CB 3.97Å; Y265-P332 CarbonylContact O-C 3.53Å; Y265-P332 WeakPolarHBondContact O-CA 3.34Å; Y265-S333 PolarHBondContact O-N 2.89Å
266D95.9Very high96Very high35 Ų3515.4 Ų15.419%0.1878%0.084CC..  trans-89.8125.9171.5176.4-2.3000109.1N268 A269 Y271 G310 V336D266-N268 PolarHBondContact O-N 3Å; D266-N268 PolarHBondContact OD1-N 3.12Å; D266-A269 HydrophobicContact CB-CB 3.77Å; D266-A269 PolarHBondContact O-N 3Å; D266-Y271 PolarHBondContact N-OH 2.99Å; D266-G310 WeakPolarHBondContact O-CA 3.26Å; D266-V336 HydrophobicContact CB-CB 4.22Å; D266-V336 HydrophobicContact CB-CG1 4.38Å
267V95.6Very high95.7Very high48 Ų4821 Ų2129%0.29111%0.109SC..THydrogen-bonded Turntrans-59.8-27-179.9-67.50000113.8Y265 I309 G310 N311 P332Y265-V267 HydrophobicContact CE2-CG1 4.08Å; V267-I309 WeakPolarHBondContact O-CG2 3.23Å; V267-G310 CarbonylContact O-C 3.52Å; V267-G310 PolarHBondContact O-N 2.9Å; V267-N311 PolarHBondContact O-N 2.99Å; V267-P332 HydrophobicContact CG1-CB 3.38Å; V267-P332 HydrophobicContact CG1-CG 4.49Å
268N94.5Very high95.3Very high131 Ų13124.7 Ų24.770%0.70114%0.14SC*.THydrogen-bonded Turntrans-97.7-12.2-177.6-59.3-51.2000113.1D266D266-N268 PolarHBondContact O-N 3Å; D266-N268 PolarHBondContact OD1-N 3.12Å
269A94.6Very high95.1Very high1 Ų126.5 Ų26.51%0.00816%0.155CC..SBendtrans-72.2154.6179.800000111.5D266 Y271 G310 E338D266-A269 HydrophobicContact CB-CB 3.77Å; D266-A269 PolarHBondContact O-N 3Å; A269-Y271 HydrophobicContact CB-CE2 3.83Å; A269-G310 PolarHBondContact O-N 2.8Å; A269-E338 HydrophobicContact CB-CB 4.08Å; A269-E338 HydrophobicContact CB-CG 4.02Å
270T95.8Very high94.8Very high35 Ų3535.1 Ų35.122%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-96131.6174.1-52.60000110.5K287 E307T270-K287 HydrophobicContact CG2-CB 4.25Å; T270-K287 HydrophobicContact CG2-CD 3.78Å; T270-K287 WeakPolarHBondContact O-CB 3.3Å; T270-K287 PolarHBondContact O-N 3.05Å; T270-E307 HydrophobicContact CG2-CB 4.23Å
271Y96.5Very high94.8Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-112.7145.3177-65.2-90000110.5Y265 D266 A269 V285 E307 L308 L313 G343 L344Y265-Y271 WeakPolarHBondContact CA-OH 3.31Å; Y265-Y271 VanDerWaalsContact CB-OH 3.31Å; Y265-Y271 WeakPolarHBondContact CB-OH 3.43Å; D266-Y271 PolarHBondContact N-OH 2.99Å; A269-Y271 HydrophobicContact CB-CE2 3.83Å; Y271-V285 CarbonylContact C-O 3.49Å; Y271-V285 WeakPolarHBondContact CA-O 3.26Å; Y271-E307 CarbonylContact O-C 3.29Å; Y271-E307 VanDerWaalsContact O-CA 3.27Å; Y271-E307 WeakPolarHBondContact O-CA 3.3Å; Y271-L308 PolarHBondContact N-O 3.41Å; Y271-L308 PolarHBondContact O-N 3.26Å; Y271-L313 HydrophobicContact CD1-CD1 4.02Å; Y271-L313 HydrophobicContact CD2-CD1 3.64Å; Y271-L313 HydrophobicContact CD2-CG 4.37Å; Y271-L313 HydrophobicContact CE1-CD1 4.13Å; Y271-L313 HydrophobicContact CE2-CD1 3.76Å; Y271-L313 HydrophobicContact CG-CD1 3.79Å; Y271-G343 VanDerWaalsContact CE1-O 3.3Å; Y271-G343 WeakPolarHBondContact CE1-O 3.29Å; Y271-G343 PolarHBondContact OH-O 2.86Å; Y271-L344 HydrophobicContact CD1-CD2 4.13Å; Y271-L344 HydrophobicContact CD1-CG 4.37Å; Y271-L344 HydrophobicContact CE1-CD2 3.51Å; Y271-L344 HydrophobicContact CE1-CG 3.91Å
272V97Very high94.8Very high1 Ų136.2 Ų36.21%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-114.8135.5-177.3178.90000109.1L274 V285 K287 K304 E307V272-L274 HydrophobicContact CG1-CD2 3.72Å; V272-L274 HydrophobicContact CG1-CG 4.07Å; V272-V285 PolarHBondContact N-O 3.34Å; V272-V285 PolarHBondContact O-N 3.37Å; V272-K287 HydrophobicContact CG2-CB 3.82Å; V272-K287 HydrophobicContact CG2-CG 4Å; V272-K304 HydrophobicContact CG1-CB 4.25Å; V272-K304 HydrophobicContact CG1-CD 3.82Å; V272-K304 HydrophobicContact CG1-CG 3.75Å; V272-E307 HydrophobicContact CG2-CG 4.3Å
273V97.3Very high94.8Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-98.7116.7173.2-171.40000107.6L235 Y238 V282 L284 V305 G306 L308L235-V273 HydrophobicContact CD1-CG1 4.26Å; L235-V273 HydrophobicContact CD1-CG2 3.64Å; Y238-V273 HydrophobicContact CD2-CG2 3.99Å; V273-V282 HydrophobicContact CG1-CG1 3.25Å; V273-L284 HydrophobicContact CG2-CD1 4.2Å; V273-V305 HydrophobicContact CB-CG2 3.93Å; V273-V305 HydrophobicContact CG1-CG2 3.58Å; V273-V305 VanDerWaalsContact O-CG2 3.31Å; V273-V305 WeakPolarHBondContact O-CG2 3.31Å; V273-V305 PolarHBondContact O-N 2.91Å; V273-G306 PolarHBondContact N-O 3.33Å; V273-G306 PolarHBondContact O-N 2.95Å; V273-L308 HydrophobicContact CG2-CD1 3.86Å; V273-L308 HydrophobicContact CG2-CG 4.26Å
274L96.8Very high94.7Very high1 Ų136.8 Ų36.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-109.7131.4179.9-61.7175.1000109.6V272 V282 Y283 V285 L293 I294 L302 H303 K304V272-L274 HydrophobicContact CG1-CD2 3.72Å; V272-L274 HydrophobicContact CG1-CG 4.07Å; L274-V282 CarbonylContact O-C 3.58Å; L274-V282 WeakPolarHBondContact O-CA 3.33Å; L274-Y283 PolarHBondContact N-O 3.09Å; L274-Y283 PolarHBondContact O-N 3.45Å; L274-V285 HydrophobicContact CD1-CG2 3.94Å; L274-L293 HydrophobicContact CD1-CD2 4Å; L274-I294 HydrophobicContact CD1-CG1 4.27Å; L274-I294 HydrophobicContact CD2-CD1 4.12Å; L274-I294 HydrophobicContact CD2-CG1 4.46Å; L274-L302 HydrophobicContact CB-CD2 4.3Å; L274-L302 HydrophobicContact CD1-CD1 4.49Å; L274-H303 CarbonylContact C-O 3.56Å; L274-H303 WeakPolarHBondContact CA-O 3.45Å; L274-K304 HydrophobicContact CD2-CB 3.99Å
275Q95.6Very high94.7Very high30 Ų3036.8 Ų36.814%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-98.4127.4173.3-173.1107.146.400110S243 Q277 R280 L302 H303 V305S243-Q275 PolarHBondContact OG-NE2 3.11Å; Q275-Q277 PolarHBondContact O-N 3.4Å; Q275-R280 PolarHBondContact NE2-O 2.85Å; Q275-R280 VanDerWaalsContact NE2-O 3.11Å; Q275-L302 WeakPolarHBondContact O-CA 3.39Å; Q275-H303 PolarHBondContact N-O 3.27Å; Q275-H303 PolarHBondContact O-N 3.25Å; Q275-H303 VanDerWaalsContact O-N 3.17Å; Q275-H303 PolarHBondContact O-ND1 3.28Å; Q275-V305 HydrophobicContact CB-CG1 3.6Å; Q275-V305 HydrophobicContact CB-CG2 4.36Å
276C94.1Very high94.7Very high4 Ų436.5 Ų36.53%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-79.9114.5169.6-177.80000109.6A278 S279 R280 E281 A300 L302C276-A278 VanDerWaalsContact C-N 3.29Å; C276-A278 PolarHBondContact O-N 3.04Å; C276-S279 WeakPolarHBondContact CB-OG 3.46Å; C276-S279 PolarHBondContact SG-N 3.4Å; C276-S279 PolarHBondContact SG-OG 2.98Å; C276-R280 WeakPolarHBondContact O-CA 3.33Å; C276-R280 PolarHBondContact O-N 2.67Å; C276-E281 HydrophobicContact CB-CB 4.34Å; C276-E281 WeakPolarHBondContact CB-O 3.26Å; C276-E281 PolarHBondContact N-O 3.35Å; C276-A300 PolarHBondContact SG-O 2.8Å; C276-L302 HydrophobicContact CB-CD2 3.83Å
277Q89.4Confident94.7Very high124 Ų12438.9 Ų38.958%0.57920%0.202SC*.THydrogen-bonded Turntrans-70.5-29.6-179.7-136.5177.716.100112Q275 A300 R301Q275-Q277 PolarHBondContact O-N 3.4Å; Q277-A300 PolarHBondContact N-O 3.45Å; Q277-R301 HydrophobicContact CB-CB 4.01Å
278A86.8Confident94.7Very high77 Ų7741.5 Ų41.564%0.63621%0.214SC*.THydrogen-bonded Turntrans-74-40.6-17800000113.2C276C276-A278 VanDerWaalsContact C-N 3.29Å; C276-A278 PolarHBondContact O-N 3.04Å
279S90Very high94.7Very high56 Ų5635.8 Ų35.839%0.39218%0.183SC..THydrogen-bonded Turntrans-109.7-8.7-175.361.30000114.4C276 E281C276-S279 WeakPolarHBondContact CB-OG 3.46Å; C276-S279 PolarHBondContact SG-N 3.4Å; C276-S279 PolarHBondContact SG-OG 2.98Å; S279-E281 PolarHBondContact O-N 3.48Å; S279-E281 VanDerWaalsContact O-N 3.16Å; S279-E281 WeakPolarHBondContact OG-CB 3.35Å; S279-E281 WeakPolarHBondContact OG-CG 3.45Å; S279-E281 PolarHBondContact OG-N 2.98Å; S279-E281 PolarHBondContact OG-OE2 2.94Å
280R90.1Very high94.7Very high184 Ų18436.2 Ų36.269%0.69419%0.186SC*.  trans60.68-167.9-55-176.8176.9-176.6-0.8114.8S243 Q275 C276S243-R280 WeakPolarHBondContact CB-O 3.29Å; S243-R280 PolarHBondContact OG-O 2.95Å; Q275-R280 PolarHBondContact NE2-O 2.85Å; Q275-R280 VanDerWaalsContact NE2-O 3.11Å; C276-R280 WeakPolarHBondContact O-CA 3.33Å; C276-R280 PolarHBondContact O-N 2.67Å
281E95Very high94.7Very high27 Ų2740.3 Ų40.313%0.12621%0.207CC..  trans-67.3153.8171.5-62173.2140.500110.5K225 N244 Y246 C276 S279 Y283K225-E281 IonicContact NZ-OE1 3.55Å; K225-E281 PolarHBondContact NZ-OE1 2.85Å; K225-E281 IonicContact NZ-OE2 3.94Å; K225-E281 PolarHBondContact NZ-OE2 2.76Å; N244-E281 WeakPolarHBondContact O-CA 3.34Å; Y246-E281 HydrophobicContact CD2-CB 4.16Å; Y246-E281 HydrophobicContact CD2-CG 4.32Å; Y246-E281 HydrophobicContact CE2-CB 4.1Å; Y246-E281 HydrophobicContact CE2-CG 3.75Å; Y246-E281 WeakPolarHBondContact CE2-OE1 3.47Å; C276-E281 HydrophobicContact CB-CB 4.34Å; C276-E281 WeakPolarHBondContact CB-O 3.26Å; C276-E281 PolarHBondContact N-O 3.35Å; S279-E281 PolarHBondContact O-N 3.48Å; S279-E281 VanDerWaalsContact O-N 3.16Å; S279-E281 WeakPolarHBondContact OG-CB 3.35Å; S279-E281 WeakPolarHBondContact OG-CG 3.45Å; S279-E281 PolarHBondContact OG-N 2.98Å; S279-E281 PolarHBondContact OG-OE2 2.94Å; E281-Y283 HydrophobicContact CB-CD1 4.45Å; E281-Y283 HydrophobicContact CB-CE1 3.72Å; E281-Y283 PolarHBondContact OE2-OH 3.04Å
282V96.5Very high94.6Very high0 Ų044.7 Ų44.70%023%0.226CC..EExtended strand (participates in β ladder)trans-116.8132.1175.6177.70000108.9V239 N244 V245 Y246 V273 L274V239-V282 HydrophobicContact CG2-CG1 4.26Å; V239-V282 HydrophobicContact CG2-CG2 4.49Å; N244-V282 PolarHBondContact O-N 3.1Å; V245-V282 CarbonylContact C-O 3.51Å; V245-V282 WeakPolarHBondContact CA-O 3.25Å; V245-V282 HydrophobicContact CG1-CB 4.13Å; V245-V282 HydrophobicContact CG1-CG1 4.06Å; V245-V282 HydrophobicContact CG2-CB 4.4Å; Y246-V282 PolarHBondContact N-O 3.4Å; V273-V282 HydrophobicContact CG1-CG1 3.25Å; L274-V282 CarbonylContact O-C 3.58Å; L274-V282 WeakPolarHBondContact O-CA 3.33Å
283Y97.3Very high94.5Very high12 Ų1244.7 Ų44.75%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-113.7132.7-180-59.2-20.1000111.1Y246 I248 L274 E281 L293 L297 L302Y246-Y283 HydrophobicContact CD2-CD1 4.26Å; Y246-Y283 HydrophobicContact CD2-CE1 4.02Å; Y246-Y283 HydrophobicContact CG-CE1 4.47Å; Y246-Y283 CarbonylContact O-C 3.57Å; Y246-Y283 VanDerWaalsContact O-CA 3.31Å; Y246-Y283 WeakPolarHBondContact O-CA 3.42Å; I248-Y283 HydrophobicContact CD1-CD1 4.03Å; I248-Y283 HydrophobicContact CD1-CD2 4.42Å; I248-Y283 HydrophobicContact CD1-CG 3.96Å; I248-Y283 HydrophobicContact CG1-CG 4.3Å; L274-Y283 PolarHBondContact N-O 3.09Å; L274-Y283 PolarHBondContact O-N 3.45Å; E281-Y283 HydrophobicContact CB-CD1 4.45Å; E281-Y283 HydrophobicContact CB-CE1 3.72Å; E281-Y283 PolarHBondContact OE2-OH 3.04Å; Y283-L293 HydrophobicContact CD2-CD2 4.38Å; Y283-L297 HydrophobicContact CE2-CD1 4.25Å; Y283-L302 HydrophobicContact CD2-CD1 4.11Å; Y283-L302 HydrophobicContact CD2-CD2 3.56Å; Y283-L302 HydrophobicContact CE2-CD1 4.35Å; Y283-L302 HydrophobicContact CE2-CD2 3.76Å; Y283-L302 HydrophobicContact CG-CD2 4.48Å
284L97.2Very high94.4Very high0 Ų047.5 Ų47.50%024%0.24CC..EExtended strand (participates in β ladder)trans-105124.9173.4-177.671.9000109.8Y246 I248 V273 L308 L313 F330 L344Y246-L284 PolarHBondContact O-N 3.41Å; I248-L284 PolarHBondContact N-O 2.93Å; I248-L284 VanDerWaalsContact N-O 3.09Å; V273-L284 HydrophobicContact CG2-CD1 4.2Å; L284-L308 HydrophobicContact CD1-CD1 4.13Å; L284-L313 HydrophobicContact CD1-CD2 4.26Å; L284-L313 HydrophobicContact CD2-CD1 4.3Å; L284-L313 HydrophobicContact CD2-CD2 3.64Å; L284-F330 HydrophobicContact CD2-CE1 4.43Å; L284-L344 HydrophobicContact CD2-CD1 4.21Å; L284-L344 HydrophobicContact CG-CD1 4.2Å; L284-L344 WeakPolarHBondContact O-CD1 3.37Å
285V96.8Very high94.3Very high0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-147.6165.7178.2-73.70000111.2I248 Y271 V272 L274 F289 L293I248-V285 HydrophobicContact CB-CG1 3.59Å; I248-V285 HydrophobicContact CG1-CG1 3.73Å; I248-V285 HydrophobicContact CG2-CG1 4.4Å; Y271-V285 CarbonylContact C-O 3.49Å; Y271-V285 WeakPolarHBondContact CA-O 3.26Å; V272-V285 PolarHBondContact N-O 3.34Å; V272-V285 PolarHBondContact O-N 3.37Å; L274-V285 HydrophobicContact CD1-CG2 3.94Å; V285-F289 HydrophobicContact CB-CD1 4.32Å; V285-F289 HydrophobicContact CG1-CD1 4.07Å; V285-L293 HydrophobicContact CG1-CD2 3.67Å; V285-L293 HydrophobicContact CG2-CD2 4.18Å
286S96.3Very high94.2Very high0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-62.6155168.574.10000112.1N288 F289 S290 E338 T342S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.26Å; S286-F289 PolarHBondContact O-N 2.84Å; S286-F289 WeakPolarHBondContact OG-CB 3.45Å; S286-F289 PolarHBondContact OG-N 3.43Å; S286-S290 PolarHBondContact O-N 3.42Å; S286-E338 PolarHBondContact OG-O 2.77Å; S286-T342 WeakPolarHBondContact CB-O 3.45Å; S286-T342 PolarHBondContact N-O 2.81Å; S286-T342 PolarHBondContact OG-O 2.97Å
287K96.2Very high94.1Very high86 Ų8653.1 Ų53.137%0.37428%0.277SS..Hα-helixtrans-59.5-45.4175.3-174.7169.2-177.2155.90111.9T270 V272 F289 S290 E307T270-K287 HydrophobicContact CG2-CB 4.25Å; T270-K287 HydrophobicContact CG2-CD 3.78Å; T270-K287 WeakPolarHBondContact O-CB 3.3Å; T270-K287 PolarHBondContact O-N 3.05Å; V272-K287 HydrophobicContact CG2-CB 3.82Å; V272-K287 HydrophobicContact CG2-CG 4Å; K287-F289 VanDerWaalsContact C-N 3.26Å; K287-F289 PolarHBondContact O-N 2.93Å; K287-S290 WeakPolarHBondContact O-CB 3.49Å; K287-S290 PolarHBondContact O-N 2.91Å; K287-S290 PolarHBondContact O-OG 2.96Å; K287-E307 VanDerWaalsContact CE-OE1 3.25Å; K287-E307 WeakPolarHBondContact CE-OE1 3.14Å; K287-E307 IonicContact NZ-OE1 2.82Å; K287-E307 PolarHBondContact NZ-OE1 3.46Å; K287-E307 IonicContact NZ-OE2 2.86Å; K287-E307 PolarHBondContact NZ-OE2 3.44Å
288N94.2Very high94.2Very high103 Ų10351.8 Ų51.855%0.55128%0.279SS*.Hα-helixtrans-58.7-33.3176.6-88.8-9.5000114S286 E338S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.26Å; N288-E338 HydrophobicContact CB-CG 4.42Å; N288-E338 WeakPolarHBondContact CB-O 3.39Å
289F95.4Very high94.4Very high10 Ų1059.2 Ų59.24%0.04429%0.291CS..Hα-helixtrans-89.2-15.4179.9-169.6-106.4000113.5Y223 V285 S286 K287 D291 K292 L293 L296 G341 T342Y223-F289 HydrophobicContact CD1-CE1 4.14Å; Y223-F289 HydrophobicContact CD1-CE2 4.38Å; Y223-F289 AromaticContact CD1-CZ 3.59Å; Y223-F289 HydrophobicContact CD1-CZ 3.59Å; Y223-F289 HydrophobicContact CE1-CE1 4.14Å; Y223-F289 AromaticContact CE1-CE2 3.57Å; Y223-F289 HydrophobicContact CE1-CE2 3.57Å; Y223-F289 AromaticContact CE1-CZ 3.2Å; Y223-F289 HydrophobicContact CE1-CZ 3.2Å; V285-F289 HydrophobicContact CB-CD1 4.32Å; V285-F289 HydrophobicContact CG1-CD1 4.07Å; S286-F289 PolarHBondContact O-N 2.84Å; S286-F289 WeakPolarHBondContact OG-CB 3.45Å; S286-F289 PolarHBondContact OG-N 3.43Å; K287-F289 VanDerWaalsContact C-N 3.26Å; K287-F289 PolarHBondContact O-N 2.93Å; F289-D291 PolarHBondContact O-N 3.47Å; F289-K292 HydrophobicContact CD2-CB 4.08Å; F289-K292 HydrophobicContact CD2-CD 4.08Å; F289-K292 HydrophobicContact CD2-CG 4.34Å; F289-K292 HydrophobicContact CE2-CB 4.13Å; F289-K292 HydrophobicContact CE2-CD 3.67Å; F289-K292 HydrophobicContact CE2-CG 3.93Å; F289-K292 PolarHBondContact O-N 2.95Å; F289-K292 VanDerWaalsContact O-N 3.14Å; F289-L293 HydrophobicContact CD1-CB 3.95Å; F289-L293 HydrophobicContact CE1-CB 3.72Å; F289-L293 HydrophobicContact CE1-CD1 4.14Å; F289-L293 HydrophobicContact CE1-CG 4.33Å; F289-L293 PolarHBondContact O-N 2.85Å; F289-L296 HydrophobicContact CZ-CD1 4.07Å; F289-G341 WeakPolarHBondContact CB-O 3.37Å; F289-G341 WeakPolarHBondContact CD2-O 3.35Å; F289-G341 WeakPolarHBondContact CG-O 3.39Å; F289-T342 HydrophobicContact CD1-CG2 3.76Å; F289-T342 HydrophobicContact CE1-CG2 3.64Å; F289-T342 HydrophobicContact CG-CG2 4.37Å; F289-T342 HydrophobicContact CZ-CG2 4.17Å
290S95.3Very high94.4Very high10 Ų1057.3 Ų57.37%0.0728%0.278CS..Hα-helixtrans-57.4-46.9-172.666.90000113.6S286 K287 L293 I294S286-S290 PolarHBondContact O-N 3.42Å; K287-S290 WeakPolarHBondContact O-CB 3.49Å; K287-S290 PolarHBondContact O-N 2.91Å; K287-S290 PolarHBondContact O-OG 2.96Å; S290-L293 PolarHBondContact O-N 2.89Å; S290-I294 VanDerWaalsContact O-CG1 3.31Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; S290-I294 PolarHBondContact O-N 3.17Å
291D94.7Very high94.5Very high122 Ų12257 Ų5765%0.65228%0.277SS*.Hα-helixtrans-65.5-40.3177.4-69-30.6000111.9F289 L293 I294 S295F289-D291 PolarHBondContact O-N 3.47Å; D291-L293 PolarHBondContact O-N 3.36Å; D291-I294 PolarHBondContact O-N 2.99Å; D291-S295 PolarHBondContact O-N 2.96Å
292K94.1Very high94.5Very high92 Ų9256.3 Ų56.340%0.427%0.274SS..Hα-helixtrans-61.7-45.3175.2-173.8171.9174.6-165.60110.1Y223 F289 I294 S295 L296 E409Y223-K292 PolarHBondContact OH-NZ 3.23Å; F289-K292 HydrophobicContact CD2-CB 4.08Å; F289-K292 HydrophobicContact CD2-CD 4.08Å; F289-K292 HydrophobicContact CD2-CG 4.34Å; F289-K292 HydrophobicContact CE2-CB 4.13Å; F289-K292 HydrophobicContact CE2-CD 3.67Å; F289-K292 HydrophobicContact CE2-CG 3.93Å; F289-K292 PolarHBondContact O-N 2.95Å; F289-K292 VanDerWaalsContact O-N 3.14Å; K292-I294 PolarHBondContact O-N 3.01Å; K292-S295 PolarHBondContact O-N 3.23Å; K292-S295 VanDerWaalsContact O-N 3.13Å; K292-S295 PolarHBondContact O-OG 2.82Å; K292-L296 HydrophobicContact CG-CD1 4.15Å; K292-L296 HydrophobicContact CG-CG 4.33Å; K292-L296 VanDerWaalsContact O-CG 3.3Å; K292-L296 WeakPolarHBondContact O-CG 3.16Å; K292-L296 PolarHBondContact O-N 2.7Å; K292-E409 IonicContact NZ-OE1 2.65Å
293L95.2Very high94.4Very high1 Ų160.1 Ų60.11%0.00529%0.292CS..Hα-helixtrans-61.4-43.1177.5-177.358000112.5I248 L274 Y283 V285 F289 S290 D291 S295 L296 L297 L302 I406I248-L293 HydrophobicContact CG1-CD2 4.14Å; L274-L293 HydrophobicContact CD1-CD2 4Å; Y283-L293 HydrophobicContact CD2-CD2 4.38Å; V285-L293 HydrophobicContact CG1-CD2 3.67Å; V285-L293 HydrophobicContact CG2-CD2 4.18Å; F289-L293 HydrophobicContact CD1-CB 3.95Å; F289-L293 HydrophobicContact CE1-CB 3.72Å; F289-L293 HydrophobicContact CE1-CD1 4.14Å; F289-L293 HydrophobicContact CE1-CG 4.33Å; F289-L293 PolarHBondContact O-N 2.85Å; S290-L293 PolarHBondContact O-N 2.89Å; D291-L293 PolarHBondContact O-N 3.36Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.37Å; L293-L296 PolarHBondContact O-N 3Å; L293-L297 HydrophobicContact CD1-CD1 3.67Å; L293-L297 HydrophobicContact CD1-CG 4.19Å; L293-L297 HydrophobicContact CG-CD1 4.44Å; L293-L297 PolarHBondContact O-N 3.04Å; L293-L297 VanDerWaalsContact O-N 3.12Å; L293-L302 HydrophobicContact CD2-CD1 4.39Å; L293-L302 HydrophobicContact CG-CD1 3.97Å; L293-I406 HydrophobicContact CD1-CD1 3.72Å
294I95.6Very high94.3Very high58 Ų5864.9 Ų64.930%0.29731%0.313SS..Hα-helixtrans-57.8-42.4174.9-67.5164.8000110.2L274 S290 D291 K292 L297 L302L274-I294 HydrophobicContact CD1-CG1 4.27Å; L274-I294 HydrophobicContact CD2-CD1 4.12Å; L274-I294 HydrophobicContact CD2-CG1 4.46Å; S290-I294 VanDerWaalsContact O-CG1 3.31Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; S290-I294 PolarHBondContact O-N 3.17Å; D291-I294 PolarHBondContact O-N 2.99Å; K292-I294 PolarHBondContact O-N 3.01Å; I294-L297 CarbonylContact O-C 3.5Å; I294-L297 PolarHBondContact O-N 3.39Å; I294-L302 HydrophobicContact CG1-CB 3.91Å
295S94.4Very high94.3Very high83 Ų8367.2 Ų67.258%0.5833%0.327SS*.Hα-helixtrans-68.8-33.7178.279.70000113.8D291 K292 L293 L297D291-S295 PolarHBondContact O-N 2.96Å; K292-S295 PolarHBondContact O-N 3.23Å; K292-S295 VanDerWaalsContact O-N 3.13Å; K292-S295 PolarHBondContact O-OG 2.82Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.37Å; S295-L297 VanDerWaalsContact C-N 3.33Å
296L93.1Very high94.2Very high39 Ų3967.5 Ų67.520%0.20433%0.33CS..Hα-helixtrans-73.1-25.9178.9-70.6175.9000112.4F289 K292 L293 P298F289-L296 HydrophobicContact CZ-CD1 4.07Å; K292-L296 HydrophobicContact CG-CD1 4.15Å; K292-L296 HydrophobicContact CG-CG 4.33Å; K292-L296 VanDerWaalsContact O-CG 3.3Å; K292-L296 WeakPolarHBondContact O-CG 3.16Å; K292-L296 PolarHBondContact O-N 2.7Å; L293-L296 PolarHBondContact O-N 3Å; L296-P298 WeakPolarHBondContact O-CD 3.4Å
297L93.4Very high94.2Very high31 Ų3170.2 Ų70.216%0.16234%0.343CS..  trans-123.158.8-175.3-60.5178.5000113Y283 L293 I294 S295 R299 A300 L302 I406Y283-L297 HydrophobicContact CE2-CD1 4.25Å; L293-L297 HydrophobicContact CD1-CD1 3.67Å; L293-L297 HydrophobicContact CD1-CG 4.19Å; L293-L297 HydrophobicContact CG-CD1 4.44Å; L293-L297 PolarHBondContact O-N 3.04Å; L293-L297 VanDerWaalsContact O-N 3.12Å; I294-L297 CarbonylContact O-C 3.5Å; I294-L297 PolarHBondContact O-N 3.39Å; S295-L297 VanDerWaalsContact C-N 3.33Å; L297-R299 PolarHBondContact O-N 3.18Å; L297-R299 VanDerWaalsContact O-N 3.11Å; L297-A300 HydrophobicContact CB-CB 3.98Å; L297-A300 WeakPolarHBondContact O-CB 3.43Å; L297-A300 PolarHBondContact O-N 3.15Å; L297-L302 HydrophobicContact CB-CD1 4.1Å; L297-L302 HydrophobicContact CD1-CD1 4.06Å; L297-I406 HydrophobicContact CD1-CB 4.32Å; L297-I406 HydrophobicContact CD1-CD1 4.25Å; L297-I406 WeakPolarHBondContact CD2-O 3.49Å
298P91.5Very high94.2Very high96 Ų9666.3 Ų66.362%0.62333%0.326SS*.G310 helixtrans-62.1-29.2-174.325.1-33.8000112.9L296 A300L296-P298 WeakPolarHBondContact O-CD 3.4Å; P298-A300 VanDerWaalsContact C-N 3.33Å; P298-A300 PolarHBondContact O-N 3.37Å
299R90.3Very high94.2Very high233 Ų23365.9 Ų65.988%0.87932%0.323SS*.G310 helixtrans-72-24.2177.8-66.5-175.9-179.4170.30.8113.5L297 R301L297-R299 PolarHBondContact O-N 3.18Å; L297-R299 VanDerWaalsContact O-N 3.11Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.01Å
300A90Very high94.2Very high16 Ų1665.4 Ų65.413%0.13232%0.321CS..G310 helixtrans-74.9-18.6-179.400000112.7C276 Q277 L297 P298 L302C276-A300 PolarHBondContact SG-O 2.8Å; Q277-A300 PolarHBondContact N-O 3.45Å; L297-A300 HydrophobicContact CB-CB 3.98Å; L297-A300 WeakPolarHBondContact O-CB 3.43Å; L297-A300 PolarHBondContact O-N 3.15Å; P298-A300 VanDerWaalsContact C-N 3.33Å; P298-A300 PolarHBondContact O-N 3.37Å; A300-L302 VanDerWaalsContact C-N 3.28Å; A300-L302 HydrophobicContact CB-CD1 4.45Å; A300-L302 HydrophobicContact CB-CD2 4.35Å; A300-L302 HydrophobicContact CB-CG 3.92Å; A300-L302 PolarHBondContact O-N 3.37Å
301R92.5Very high94.2Very high177 Ų17769.7 Ų69.767%0.66834%0.343SS*.  trans49.251.8-175.6-61.4-176.4179.8-1790.4111.4Q277 R299 H303Q277-R301 HydrophobicContact CB-CB 4.01Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.01Å; R301-H303 PolarHBondContact O-N 3.27Å
302L95.1Very high94.2Very high14 Ų1465.4 Ų65.47%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-65.1130.4178.5-68.3170.4000109.6L274 Q275 C276 Y283 L293 I294 L297 A300L274-L302 HydrophobicContact CB-CD2 4.3Å; L274-L302 HydrophobicContact CD1-CD1 4.49Å; Q275-L302 WeakPolarHBondContact O-CA 3.39Å; C276-L302 HydrophobicContact CB-CD2 3.83Å; Y283-L302 HydrophobicContact CD2-CD1 4.11Å; Y283-L302 HydrophobicContact CD2-CD2 3.56Å; Y283-L302 HydrophobicContact CE2-CD1 4.35Å; Y283-L302 HydrophobicContact CE2-CD2 3.76Å; Y283-L302 HydrophobicContact CG-CD2 4.48Å; L293-L302 HydrophobicContact CD2-CD1 4.39Å; L293-L302 HydrophobicContact CG-CD1 3.97Å; I294-L302 HydrophobicContact CG1-CB 3.91Å; L297-L302 HydrophobicContact CB-CD1 4.1Å; L297-L302 HydrophobicContact CD1-CD1 4.06Å; A300-L302 VanDerWaalsContact C-N 3.28Å; A300-L302 HydrophobicContact CB-CD1 4.45Å; A300-L302 HydrophobicContact CB-CD2 4.35Å; A300-L302 HydrophobicContact CB-CG 3.92Å; A300-L302 PolarHBondContact O-N 3.37Å
303H94Very high94.3Very high79 Ų7961 Ų6137%0.36630%0.301SS..EExtended strand (participates in β ladder)trans-134146.9172.161.5-76.9000109.8L274 Q275 R301L274-H303 CarbonylContact C-O 3.56Å; L274-H303 WeakPolarHBondContact CA-O 3.45Å; Q275-H303 PolarHBondContact N-O 3.27Å; Q275-H303 PolarHBondContact O-N 3.25Å; Q275-H303 VanDerWaalsContact O-N 3.17Å; Q275-H303 PolarHBondContact O-ND1 3.28Å; R301-H303 PolarHBondContact O-N 3.27Å
304K96.2Very high94.2Very high113 Ų11363 Ų6349%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-73.2128.7-179.2173.7174.1165.2-170.80111.1V272 L274 E307V272-K304 HydrophobicContact CG1-CB 4.25Å; V272-K304 HydrophobicContact CG1-CD 3.82Å; V272-K304 HydrophobicContact CG1-CG 3.75Å; L274-K304 HydrophobicContact CD2-CB 3.99Å; K304-E307 WeakPolarHBondContact CE-OE1 3.39Å; K304-E307 IonicContact NZ-OE1 2.86Å; K304-E307 PolarHBondContact NZ-OE1 3.19Å
305V95.2Very high94.1Very high48 Ų4865.6 Ų65.629%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-112.1-16.6176-65.40000113Y238 V273 Q275Y238-V305 VanDerWaalsContact CD1-O 3.28Å; Y238-V305 WeakPolarHBondContact CD1-O 3.17Å; V273-V305 HydrophobicContact CB-CG2 3.93Å; V273-V305 HydrophobicContact CG1-CG2 3.58Å; V273-V305 VanDerWaalsContact O-CG2 3.31Å; V273-V305 WeakPolarHBondContact O-CG2 3.31Å; V273-V305 PolarHBondContact O-N 2.91Å; Q275-V305 HydrophobicContact CB-CG1 3.6Å; Q275-V305 HydrophobicContact CB-CG2 4.36Å
306G95.1Very high94.2Very high7 Ų761.7 Ų61.77%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-170.4166.9179.700000114.7Y238 V273Y238-G306 VanDerWaalsContact CE1-CA 3.5Å; V273-G306 PolarHBondContact N-O 3.33Å; V273-G306 PolarHBondContact O-N 2.95Å
307E96.6Very high94.4Very high57 Ų5762 Ų6227%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-123.3153.3164.8-61.2-164.4159.600110.2Y238 T270 Y271 V272 K287 K304Y238-E307 WeakPolarHBondContact CE2-O 3.18Å; Y238-E307 PolarHBondContact OH-O 3.24Å; T270-E307 HydrophobicContact CG2-CB 4.23Å; Y271-E307 CarbonylContact O-C 3.29Å; Y271-E307 VanDerWaalsContact O-CA 3.27Å; Y271-E307 WeakPolarHBondContact O-CA 3.3Å; V272-E307 HydrophobicContact CG2-CG 4.3Å; K287-E307 VanDerWaalsContact CE-OE1 3.25Å; K287-E307 WeakPolarHBondContact CE-OE1 3.14Å; K287-E307 IonicContact NZ-OE1 2.82Å; K287-E307 PolarHBondContact NZ-OE1 3.46Å; K287-E307 IonicContact NZ-OE2 2.86Å; K287-E307 PolarHBondContact NZ-OE2 3.44Å; K304-E307 WeakPolarHBondContact CE-OE1 3.39Å; K304-E307 IonicContact NZ-OE1 2.86Å; K304-E307 PolarHBondContact NZ-OE1 3.19Å
308L95.8Very high94.5Very high4 Ų460.5 Ų60.52%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-135.3145.8177.6-65.8170.5000108.6H234 L235 Y238 Y271 V273 L284 D312 L313H234-L308 HydrophobicContact CB-CD2 3.9Å; H234-L308 WeakPolarHBondContact O-CD2 3.15Å; L235-L308 HydrophobicContact CB-CD1 4.1Å; L235-L308 HydrophobicContact CD1-CD1 3.65Å; L235-L308 HydrophobicContact CG-CD1 4.41Å; Y238-L308 HydrophobicContact CD2-CD2 4.44Å; Y238-L308 HydrophobicContact CE2-CD2 3.84Å; Y238-L308 HydrophobicContact CE2-CG 4.18Å; Y271-L308 PolarHBondContact N-O 3.41Å; Y271-L308 PolarHBondContact O-N 3.26Å; V273-L308 HydrophobicContact CG2-CD1 3.86Å; V273-L308 HydrophobicContact CG2-CG 4.26Å; L284-L308 HydrophobicContact CD1-CD1 4.13Å; L308-D312 HydrophobicContact CB-CB 4.17Å; L308-D312 HydrophobicContact CD2-CB 3.94Å; L308-L313 HydrophobicContact CD1-CD2 4.06Å
309I95.6Very high94.8Very high94 Ų9460.6 Ų60.648%0.48228%0.282SS..EExtended strand (participates in β ladder)trans-83.4149.8163.3-85.8171.6000107.9V267 N311 D312V267-I309 WeakPolarHBondContact O-CG2 3.23Å; I309-N311 HydrophobicContact CG2-CB 4.02Å; I309-N311 PolarHBondContact O-N 2.9Å; I309-N311 VanDerWaalsContact O-N 3.13Å; I309-D312 PolarHBondContact N-OD2 3.48Å; I309-D312 WeakPolarHBondContact O-CA 3.09Å; I309-D312 WeakPolarHBondContact O-CB 3.42Å; I309-D312 PolarHBondContact O-N 3.2Å
310G94.5Very high95Very high0 Ų049.6 Ų49.60%024%0.241CC..G310 helixtrans-52.2-37.4-178.700000114.1Y265 D266 V267 A269 D312 L313Y265-G310 WeakPolarHBondContact CD2-O 3.42Å; Y265-G310 WeakPolarHBondContact CE2-O 3.32Å; D266-G310 WeakPolarHBondContact O-CA 3.26Å; V267-G310 CarbonylContact O-C 3.52Å; V267-G310 PolarHBondContact O-N 2.9Å; A269-G310 PolarHBondContact O-N 2.8Å; G310-D312 PolarHBondContact O-N 3.21Å; G310-D312 VanDerWaalsContact O-N 3.14Å; G310-L313 VanDerWaalsContact O-CB 3.26Å; G310-L313 WeakPolarHBondContact O-CB 3.37Å; G310-L313 PolarHBondContact O-N 3.16Å
311N94.9Very high95.2Very high100 Ų10049.8 Ų49.854%0.53524%0.24SC..G310 helixtrans-57.5-25.8173.2-166.774.7000113.9V267 I309 L313 C314V267-N311 PolarHBondContact O-N 2.99Å; I309-N311 HydrophobicContact CG2-CB 4.02Å; I309-N311 PolarHBondContact O-N 2.9Å; I309-N311 VanDerWaalsContact O-N 3.13Å; N311-L313 PolarHBondContact O-N 3.45Å; N311-C314 PolarHBondContact O-N 3.3Å; N311-C314 PolarHBondContact O-SG 3.5Å; N311-C314 VanDerWaalsContact O-SG 3.41Å
312D95.2Very high95.1Very high31 Ų3142.9 Ų42.917%0.16622%0.218CC..G310 helixtrans-73-4.7173-60-39.4000112.9N232 H234 L308 I309 G310 C314N232-D312 PolarHBondContact ND2-O 3.24Å; N232-D312 PolarHBondContact OD1-O 3.32Å; H234-D312 HydrophobicContact CB-CB 3.75Å; H234-D312 IonicContact CE1-OD1 3.21Å; H234-D312 PolarHBondContact CE1-OD1 3.11Å; H234-D312 IonicContact CG-OD1 4Å; H234-D312 IonicContact ND1-OD1 2.93Å; H234-D312 PolarHBondContact ND1-OD1 3.07Å; L308-D312 HydrophobicContact CB-CB 4.17Å; L308-D312 HydrophobicContact CD2-CB 3.94Å; I309-D312 PolarHBondContact N-OD2 3.48Å; I309-D312 WeakPolarHBondContact O-CA 3.09Å; I309-D312 WeakPolarHBondContact O-CB 3.42Å; I309-D312 PolarHBondContact O-N 3.2Å; G310-D312 PolarHBondContact O-N 3.21Å; G310-D312 VanDerWaalsContact O-N 3.14Å; D312-C314 VanDerWaalsContact C-N 3.35Å
313L95.8Very high94.8Very high0 Ų045.3 Ų45.30%023%0.226CC..G310 helixtrans-90.81.7174.6-56.2-176.7000112.9Y265 Y271 L284 L308 G310 N311 C316 L344Y265-L313 HydrophobicContact CD1-CB 4.24Å; Y265-L313 HydrophobicContact CD2-CB 4.13Å; Y265-L313 HydrophobicContact CD2-CD1 4.23Å; Y265-L313 HydrophobicContact CE1-CB 4.17Å; Y265-L313 HydrophobicContact CE2-CB 4.07Å; Y265-L313 HydrophobicContact CG-CB 4.21Å; Y265-L313 HydrophobicContact CG-CD1 4.03Å; Y271-L313 HydrophobicContact CD1-CD1 4.02Å; Y271-L313 HydrophobicContact CD2-CD1 3.64Å; Y271-L313 HydrophobicContact CD2-CG 4.37Å; Y271-L313 HydrophobicContact CE1-CD1 4.13Å; Y271-L313 HydrophobicContact CE2-CD1 3.76Å; Y271-L313 HydrophobicContact CG-CD1 3.79Å; L284-L313 HydrophobicContact CD1-CD2 4.26Å; L284-L313 HydrophobicContact CD2-CD1 4.3Å; L284-L313 HydrophobicContact CD2-CD2 3.64Å; L308-L313 HydrophobicContact CD1-CD2 4.06Å; G310-L313 VanDerWaalsContact O-CB 3.26Å; G310-L313 WeakPolarHBondContact O-CB 3.37Å; G310-L313 PolarHBondContact O-N 3.16Å; N311-L313 PolarHBondContact O-N 3.45Å; L313-C316 WeakPolarHBondContact O-CB 3.19Å; L313-C316 PolarHBondContact O-N 3.25Å; L313-C316 PolarHBondContact O-SG 3.44Å; L313-C316 VanDerWaalsContact O-SG 3.33Å; L313-L344 HydrophobicContact CD1-CD2 4.22Å
314C93.3Very high94Very high44 Ų4446.9 Ų46.930%0.29724%0.241SC..THydrogen-bonded Turntrans-56.7146.7173.569.60000111.5N232 N311 D312 C316N232-C314 PolarHBondContact ND2-O 3.15Å; N311-C314 PolarHBondContact O-N 3.3Å; N311-C314 PolarHBondContact O-SG 3.5Å; N311-C314 VanDerWaalsContact O-SG 3.41Å; D312-C314 VanDerWaalsContact C-N 3.35Å; C314-C316 PolarHBondContact O-N 3.21Å; C314-C316 VanDerWaalsContact O-N 3.13Å
315D93.2Very high93.3Very high112 Ų11246.7 Ų46.760%0.59925%0.254SS*.THydrogen-bonded Turntrans58.121-178.5-53.2-38.1000115.1F317D315-F317 WeakPolarHBondContact O-CD2 3.33Å
316C96.7Very high93.2Very high0 Ų046.5 Ų46.50%026%0.255CS..  trans-82140.4168.7-670000110.9L228 R230 L313 C314 F330L228-C316 HydrophobicContact CD2-CB 3.95Å; R230-C316 CarbonylContact O-C 3.54Å; R230-C316 VanDerWaalsContact O-CA 3.31Å; R230-C316 WeakPolarHBondContact O-CA 3.29Å; L313-C316 WeakPolarHBondContact O-CB 3.19Å; L313-C316 PolarHBondContact O-N 3.25Å; L313-C316 PolarHBondContact O-SG 3.44Å; L313-C316 VanDerWaalsContact O-SG 3.33Å; C314-C316 PolarHBondContact O-N 3.21Å; C314-C316 VanDerWaalsContact O-N 3.13Å; C316-F330 HydrophobicContact CB-CB 3.98Å; C316-F330 HydrophobicContact CB-CD1 4.29Å; C316-F330 HydrophobicContact CB-CD2 4.05Å; C316-F330 HydrophobicContact CB-CG 3.84Å; C316-F330 WeakPolarHBondContact O-CB 3.4Å; C316-F330 PolarHBondContact O-N 2.92Å
317F97.3Very high93.2Very high46 Ų4649.9 Ų49.920%0.20227%0.268CS..EExtended strand (participates in β ladder)trans-135154.4176.8-67.9-103.6000110.5L228 T229 R230 D315 E327 M328 P329L228-F317 CarbonylContact C-O 3.55Å; L228-F317 VanDerWaalsContact CA-O 3.29Å; L228-F317 WeakPolarHBondContact CA-O 3.17Å; T229-F317 PolarHBondContact N-O 3.04Å; T229-F317 WeakPolarHBondContact OG1-CB 3.45Å; T229-F317 PolarHBondContact OG1-O 3.41Å; R230-F317 HydrophobicContact CB-CB 4.07Å; R230-F317 HydrophobicContact CB-CD2 4.05Å; R230-F317 HydrophobicContact CB-CG 4.47Å; R230-F317 PolarHBondContact N-O 2.92Å; R230-F317 PolarHBondContact O-N 2.96Å; D315-F317 WeakPolarHBondContact O-CD2 3.33Å; F317-E327 HydrophobicContact CB-CG 3.58Å; F317-E327 HydrophobicContact CD1-CG 3.89Å; F317-E327 HydrophobicContact CG-CG 4.09Å; F317-M328 CarbonylContact C-O 3.49Å; F317-M328 WeakPolarHBondContact CA-O 3.36Å; F317-M328 WeakPolarHBondContact CB-O 3.46Å; F317-P329 HydrophobicContact CD1-CB 4.16Å; F317-P329 HydrophobicContact CE1-CB 3.82Å; F317-P329 HydrophobicContact CZ-CB 4.37Å
318Y96.6Very high93.2Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-139158.5-179.269.8-74.3000111.5V226 I227 N260 A262 V263 E327 M328 F330V226-Y318 HydrophobicContact CB-CD2 3.78Å; V226-Y318 HydrophobicContact CB-CE2 4.45Å; V226-Y318 HydrophobicContact CG1-CD2 4.34Å; V226-Y318 HydrophobicContact CG2-CD2 3.75Å; V226-Y318 HydrophobicContact CG2-CE2 4.38Å; V226-Y318 HydrophobicContact CG2-CG 4.18Å; I227-Y318 CarbonylContact O-C 3.56Å; I227-Y318 WeakPolarHBondContact O-CA 3.37Å; I227-Y318 VanDerWaalsContact O-CB 3.22Å; I227-Y318 WeakPolarHBondContact O-CB 3.48Å; N260-Y318 PolarHBondContact ND2-OH 3.4Å; N260-Y318 PolarHBondContact OD1-OH 3.19Å; A262-Y318 WeakPolarHBondContact CA-OH 3.35Å; A262-Y318 PolarHBondContact N-OH 2.99Å; A262-Y318 PolarHBondContact O-OH 3.48Å; V263-Y318 HydrophobicContact CB-CE1 4.05Å; V263-Y318 HydrophobicContact CG2-CD1 4.23Å; V263-Y318 HydrophobicContact CG2-CE1 3.65Å; V263-Y318 HydrophobicContact CG2-CE2 4.14Å; Y318-E327 CarbonylContact O-C 3.49Å; Y318-E327 WeakPolarHBondContact O-CA 3.27Å; Y318-M328 HydrophobicContact CD1-CB 3.86Å; Y318-M328 WeakPolarHBondContact CD1-O 3.08Å; Y318-M328 HydrophobicContact CD2-CB 4.48Å; Y318-M328 HydrophobicContact CE1-CB 3.29Å; Y318-M328 HydrophobicContact CE1-CG 4.48Å; Y318-M328 WeakPolarHBondContact CE1-O 3.34Å; Y318-M328 HydrophobicContact CE2-CB 4Å; Y318-M328 HydrophobicContact CE2-CG 4.49Å; Y318-M328 HydrophobicContact CG-CB 4.42Å; Y318-M328 PolarHBondContact N-O 3.02Å; Y318-M328 PolarHBondContact O-N 3.41Å; Y318-F330 AromaticContact CD1-CD2 3.8Å; Y318-F330 HydrophobicContact CD1-CD2 3.8Å; Y318-F330 AromaticContact CD1-CE2 3.55Å; Y318-F330 HydrophobicContact CD1-CE2 3.55Å; Y318-F330 HydrophobicContact CE1-CD2 4.37Å; Y318-F330 HydrophobicContact CE1-CE2 4.27Å; Y318-F330 HydrophobicContact CG-CE2 4.11Å
319Y96.5Very high93.3Very high98 Ų9849.1 Ų49.138%0.38427%0.267SS..EExtended strand (participates in β ladder)trans-77.2134.1169.1-75.2-52.1000110.8I227 T229 V324 C326I227-Y319 HydrophobicContact CG2-CD2 3.61Å; I227-Y319 HydrophobicContact CG2-CG 4.19Å; I227-Y319 PolarHBondContact O-N 3.37Å; T229-Y319 HydrophobicContact CG2-CD1 3.7Å; T229-Y319 HydrophobicContact CG2-CD2 3.35Å; T229-Y319 HydrophobicContact CG2-CE1 3.69Å; T229-Y319 HydrophobicContact CG2-CE2 3.34Å; T229-Y319 HydrophobicContact CG2-CG 3.51Å; T229-Y319 VanDerWaalsContact CG2-CZ 3.49Å; Y319-V324 WeakPolarHBondContact CD1-O 3.45Å; Y319-C326 WeakPolarHBondContact CA-O 3.34Å
320H95.8Very high93.4Very high2 Ų245.1 Ų45.11%0.00925%0.246CC..  trans-55.3138.9177.4-173.4-89.9000111.3N260 T322 R323 C326 M328N260-H320 PolarHBondContact O-CD2 2.81Å; N260-H320 PolarHBondContact O-NE2 2.9Å; H320-T322 VanDerWaalsContact C-N 3.26Å; H320-T322 PolarHBondContact CE1-OG1 3.21Å; H320-T322 PolarHBondContact ND1-N 3.26Å; H320-T322 PolarHBondContact ND1-OG1 2.96Å; H320-T322 PolarHBondContact O-N 3.24Å; H320-T322 VanDerWaalsContact O-N 3.14Å; H320-R323 HydrophobicContact CB-CB 3.86Å; H320-R323 WeakPolarHBondContact CB-O 3.47Å; H320-R323 PolarHBondContact CD2-NE 3.4Å; H320-R323 PolarHBondContact CD2-NH2 3.12Å; H320-R323 PolarHBondContact CE1-NE 3.14Å; H320-R323 VanDerWaalsContact CE1-NE 3.33Å; H320-R323 WeakPolarHBondContact ND1-CB 3.25Å; H320-R323 WeakPolarHBondContact ND1-CG 3.43Å; H320-R323 PolarHBondContact ND1-N 3.38Å; H320-R323 PolarHBondContact ND1-NE 3.2Å; H320-R323 PolarHBondContact NE2-NE 3.45Å; H320-R323 PolarHBondContact NE2-NH2 2.93Å; H320-R323 VanDerWaalsContact NE2-NH2 3.2Å; H320-R323 PolarHBondContact O-N 2.89Å; H320-C326 HydrophobicContact CB-CB 4.19Å; H320-C326 PolarHBondContact N-O 3.32Å; H320-M328 HydrophobicContact CB-CG 3.95Å
321P92.6Very high93.5Very high19 Ų1945.9 Ų45.912%0.12325%0.251CS..SBendtrans-60.9-31.5-170.6-22.733.3000114.4V226 I249 I257 I404V226-P321 HydrophobicContact CG1-CB 4.44Å; V226-P321 HydrophobicContact CG1-CG 3.85Å; I249-P321 HydrophobicContact CD1-CG 4.43Å; I257-P321 HydrophobicContact CD1-CB 4.33Å; I257-P321 HydrophobicContact CD1-CG 3.89Å; I257-P321 HydrophobicContact CG1-CB 3.83Å; I257-P321 HydrophobicContact CG1-CG 3.88Å; P321-I404 HydrophobicContact CB-CD1 3.87Å
322T90.9Very high93.6Very high33 Ų3342.8 Ų42.820%0.20224%0.236CC..SBendtrans-117.2-14.5-17961.80000113.8I257 F258 H320 L401I257-T322 HydrophobicContact CG2-CG2 3.95Å; F258-T322 HydrophobicContact CD1-CG2 4.04Å; F258-T322 WeakPolarHBondContact CD1-OG1 3.45Å; F258-T322 HydrophobicContact CE1-CG2 3.83Å; F258-T322 HydrophobicContact CE2-CG2 4.33Å; F258-T322 HydrophobicContact CG-CG2 4.42Å; F258-T322 HydrophobicContact CZ-CG2 3.99Å; H320-T322 VanDerWaalsContact C-N 3.26Å; H320-T322 PolarHBondContact CE1-OG1 3.21Å; H320-T322 PolarHBondContact ND1-N 3.26Å; H320-T322 PolarHBondContact ND1-OG1 2.96Å; H320-T322 PolarHBondContact O-N 3.24Å; H320-T322 VanDerWaalsContact O-N 3.14Å; T322-L401 HydrophobicContact CG2-CD2 3.99Å
323R89.7Confident93.6Very high64 Ų6442 Ų4224%0.24223%0.232CC..SBendtrans-112.370.3-178.1-61.5177.7-68.7167.91.3107N260 E261 H320 S325 C326 N367N260-R323 PolarHBondContact O-NH2 2.93Å; E261-R323 IonicContact OE1-CZ 2.61Å; E261-R323 IonicContact OE1-NH1 3.75Å; E261-R323 PolarHBondContact OE1-NH1 2.81Å; E261-R323 IonicContact OE1-NH2 3.36Å; E261-R323 PolarHBondContact OE1-NH2 2.82Å; E261-R323 IonicContact OE2-CZ 2.77Å; E261-R323 IonicContact OE2-NH1 2.69Å; E261-R323 IonicContact OE2-NH2 3.51Å; E261-R323 PolarHBondContact OE2-NH2 2.82Å; H320-R323 HydrophobicContact CB-CB 3.86Å; H320-R323 WeakPolarHBondContact CB-O 3.47Å; H320-R323 PolarHBondContact CD2-NE 3.4Å; H320-R323 PolarHBondContact CD2-NH2 3.12Å; H320-R323 PolarHBondContact CE1-NE 3.14Å; H320-R323 VanDerWaalsContact CE1-NE 3.33Å; H320-R323 WeakPolarHBondContact ND1-CB 3.25Å; H320-R323 WeakPolarHBondContact ND1-CG 3.43Å; H320-R323 PolarHBondContact ND1-N 3.38Å; H320-R323 PolarHBondContact ND1-NE 3.2Å; H320-R323 PolarHBondContact NE2-NE 3.45Å; H320-R323 PolarHBondContact NE2-NH2 2.93Å; H320-R323 VanDerWaalsContact NE2-NH2 3.2Å; H320-R323 PolarHBondContact O-N 2.89Å; R323-S325 PolarHBondContact O-N 2.95Å; R323-C326 HydrophobicContact CB-CB 4Å; R323-C326 WeakPolarHBondContact O-CB 3.26Å; R323-C326 PolarHBondContact O-N 2.94Å; R323-N367 PolarHBondContact NH1-ND2 3.04Å
324V75.7Confident93.2Very high113 Ų11347.7 Ų47.769%0.68527%0.273SS*.THydrogen-bonded Turntrans-59.6-14-158.4-132.40000115.4Y319Y319-V324 WeakPolarHBondContact CD1-O 3.45Å
325S82.4Confident93Very high109 Ų10948.7 Ų48.776%0.76227%0.273SS*.THydrogen-bonded Turntrans-99.2-6.4175.9500000114.4R323R323-S325 PolarHBondContact O-N 2.95Å
326C93Very high92.9Very high44 Ų4443.6 Ų43.630%0.29725%0.245SC..  trans-93.1121.3-178.3-63.80000110.4Y319 H320 R323 M328Y319-C326 WeakPolarHBondContact CA-O 3.34Å; H320-C326 HydrophobicContact CB-CB 4.19Å; H320-C326 PolarHBondContact N-O 3.32Å; R323-C326 HydrophobicContact CB-CB 4Å; R323-C326 WeakPolarHBondContact O-CB 3.26Å; R323-C326 PolarHBondContact O-N 2.94Å; C326-M328 HydrophobicContact CB-CE 3.64Å
327E95.6Very high92.4Very high77 Ų7746.8 Ų46.836%0.3627%0.267SS..EExtended strand (participates in β ladder)trans-87131.7175.3-172.6174.9-103.900110T229 R230 F317 Y318T229-E327 WeakPolarHBondContact CB-OE1 3.39Å; T229-E327 VanDerWaalsContact OG1-CD 3.27Å; T229-E327 WeakPolarHBondContact OG1-CG 3.37Å; T229-E327 PolarHBondContact OG1-OE1 2.84Å; R230-E327 WeakPolarHBondContact CD-OE2 3.4Å; R230-E327 IonicContact NH1-OE2 3.22Å; F317-E327 HydrophobicContact CB-CG 3.58Å; F317-E327 HydrophobicContact CD1-CG 3.89Å; F317-E327 HydrophobicContact CG-CG 4.09Å; Y318-E327 CarbonylContact O-C 3.49Å; Y318-E327 WeakPolarHBondContact O-CA 3.27Å
328M96.6Very high91.8Very high19 Ų1946.8 Ų46.89%0.09427%0.268CS..EExtended strand (participates in β ladder)trans-124.2145.3-173.6-66.1-65134.900111.1F317 Y318 H320 C326F317-M328 CarbonylContact C-O 3.49Å; F317-M328 WeakPolarHBondContact CA-O 3.36Å; F317-M328 WeakPolarHBondContact CB-O 3.46Å; Y318-M328 HydrophobicContact CD1-CB 3.86Å; Y318-M328 WeakPolarHBondContact CD1-O 3.08Å; Y318-M328 HydrophobicContact CD2-CB 4.48Å; Y318-M328 HydrophobicContact CE1-CB 3.29Å; Y318-M328 HydrophobicContact CE1-CG 4.48Å; Y318-M328 WeakPolarHBondContact CE1-O 3.34Å; Y318-M328 HydrophobicContact CE2-CB 4Å; Y318-M328 HydrophobicContact CE2-CG 4.49Å; Y318-M328 HydrophobicContact CG-CB 4.42Å; Y318-M328 PolarHBondContact N-O 3.02Å; Y318-M328 PolarHBondContact O-N 3.41Å; H320-M328 HydrophobicContact CB-CG 3.95Å; C326-M328 HydrophobicContact CB-CE 3.64Å
329P97.1Very high91.1Very high27 Ų2750.9 Ų50.918%0.17530%0.296CS..EExtended strand (participates in β ladder)trans-84.6155.6-17533.4-36.3000113.9E261 A262 V263 F317 L331 L364E261-P329 WeakPolarHBondContact O-CD 3.28Å; A262-P329 WeakPolarHBondContact CA-O 3.21Å; A262-P329 HydrophobicContact CB-CG 4.35Å; A262-P329 WeakPolarHBondContact CB-O 3.32Å; V263-P329 PolarHBondContact N-O 2.93Å; V263-P329 VanDerWaalsContact N-O 3.09Å; F317-P329 HydrophobicContact CD1-CB 4.16Å; F317-P329 HydrophobicContact CE1-CB 3.82Å; F317-P329 HydrophobicContact CZ-CB 4.37Å; P329-L331 HydrophobicContact CB-CD2 4.31Å; P329-L331 HydrophobicContact CB-CG 4.37Å; P329-L331 HydrophobicContact CG-CD1 4.39Å; P329-L331 HydrophobicContact CG-CD2 4.44Å; P329-L331 HydrophobicContact CG-CG 4.24Å; P329-L364 HydrophobicContact CG-CD2 4.37Å
330F97.7Very high90.6Very high9 Ų949.8 Ų49.84%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-87131.9157.9-86.1-125000109.5L228 A247 V263 Y265 L284 C316 Y318 L344L228-F330 HydrophobicContact CD2-CE2 4.17Å; L228-F330 HydrophobicContact CD2-CZ 4.33Å; A247-F330 HydrophobicContact CB-CE1 4.33Å; A247-F330 HydrophobicContact CB-CE2 4.46Å; A247-F330 HydrophobicContact CB-CZ 3.54Å; V263-F330 HydrophobicContact CB-CD1 4.43Å; V263-F330 HydrophobicContact CB-CD2 4.1Å; V263-F330 HydrophobicContact CB-CE1 4.23Å; V263-F330 HydrophobicContact CB-CE2 3.85Å; V263-F330 HydrophobicContact CB-CG 4.35Å; V263-F330 HydrophobicContact CB-CZ 3.9Å; V263-F330 HydrophobicContact CG1-CD1 4.1Å; V263-F330 HydrophobicContact CG1-CE1 3.67Å; V263-F330 HydrophobicContact CG1-CE2 4.17Å; V263-F330 HydrophobicContact CG1-CZ 3.68Å; V263-F330 HydrophobicContact CG2-CE2 4.29Å; V263-F330 HydrophobicContact CG2-CZ 4.39Å; V263-F330 CarbonylContact O-C 3.52Å; V263-F330 VanDerWaalsContact O-CA 3.27Å; V263-F330 WeakPolarHBondContact O-CA 3.12Å; Y265-F330 HydrophobicContact CD1-CB 3.97Å; Y265-F330 HydrophobicContact CD1-CD1 4.01Å; Y265-F330 HydrophobicContact CD1-CG 4.48Å; Y265-F330 HydrophobicContact CE1-CB 3.78Å; L284-F330 HydrophobicContact CD2-CE1 4.43Å; C316-F330 HydrophobicContact CB-CB 3.98Å; C316-F330 HydrophobicContact CB-CD1 4.29Å; C316-F330 HydrophobicContact CB-CD2 4.05Å; C316-F330 HydrophobicContact CB-CG 3.84Å; C316-F330 WeakPolarHBondContact O-CB 3.4Å; C316-F330 PolarHBondContact O-N 2.92Å; Y318-F330 AromaticContact CD1-CD2 3.8Å; Y318-F330 HydrophobicContact CD1-CD2 3.8Å; Y318-F330 AromaticContact CD1-CE2 3.55Å; Y318-F330 HydrophobicContact CD1-CE2 3.55Å; Y318-F330 HydrophobicContact CE1-CD2 4.37Å; Y318-F330 HydrophobicContact CE1-CE2 4.27Å; Y318-F330 HydrophobicContact CG-CE2 4.11Å; F330-L344 HydrophobicContact CD1-CD2 4.49Å; F330-L344 HydrophobicContact CE1-CD1 4.33Å; F330-L344 HydrophobicContact CE1-CD2 3.85Å
331L97.4Very high90.3Very high17 Ų1750.6 Ų50.69%0.08931%0.308CS..EExtended strand (participates in β ladder)trans-126.5136.8-177.4-65.6176.2000112.6A262 V263 A264 Y265 P329 L358 Y362 L364A262-L331 HydrophobicContact CB-CD1 3.69Å; A262-L331 HydrophobicContact CB-CG 4.12Å; V263-L331 PolarHBondContact O-N 2.92Å; A264-L331 VanDerWaalsContact CA-O 3.23Å; A264-L331 WeakPolarHBondContact CA-O 3.41Å; Y265-L331 WeakPolarHBondContact CD1-O 3.38Å; Y265-L331 PolarHBondContact N-O 2.6Å; P329-L331 HydrophobicContact CB-CD2 4.31Å; P329-L331 HydrophobicContact CB-CG 4.37Å; P329-L331 HydrophobicContact CG-CD1 4.39Å; P329-L331 HydrophobicContact CG-CD2 4.44Å; P329-L331 HydrophobicContact CG-CG 4.24Å; L331-L358 HydrophobicContact CB-CD2 4.34Å; L331-Y362 HydrophobicContact CB-CD2 4.45Å; L331-Y362 HydrophobicContact CB-CE2 4.3Å; L331-Y362 HydrophobicContact CD1-CD2 3.75Å; L331-Y362 HydrophobicContact CD1-CE2 4.4Å; L331-Y362 HydrophobicContact CD1-CG 3.87Å; L331-Y362 HydrophobicContact CD2-CD1 3.83Å; L331-Y362 HydrophobicContact CD2-CD2 4.16Å; L331-Y362 HydrophobicContact CD2-CE1 4.04Å; L331-Y362 HydrophobicContact CD2-CE2 4.32Å; L331-Y362 HydrophobicContact CD2-CG 3.89Å; L331-Y362 HydrophobicContact CG-CD2 4.36Å; L331-Y362 HydrophobicContact CG-CG 4.45Å; L331-L364 HydrophobicContact CD1-CD1 3.74Å; L331-L364 HydrophobicContact CD1-CD2 4.13Å; L331-L364 HydrophobicContact CD1-CG 4.26Å
332P96.8Very high90.5Very high34 Ų3449.8 Ų49.822%0.22130%0.303CS..EExtended strand (participates in β ladder)trans-74.6133.6176.529.3-31.6000110.5Y265 V267 Y362Y265-P332 HydrophobicContact CE2-CB 3.97Å; Y265-P332 CarbonylContact O-C 3.53Å; Y265-P332 WeakPolarHBondContact O-CA 3.34Å; V267-P332 HydrophobicContact CG1-CB 3.38Å; V267-P332 HydrophobicContact CG1-CG 4.49Å; P332-Y362 WeakPolarHBondContact CG-OH 3.49Å
333S94.6Very high90.7Very high14 Ų1448.2 Ų48.210%0.09829%0.294CS..  trans-147.2134.8178-174.50000112.6Y265 H335Y265-S333 PolarHBondContact O-N 2.89Å; S333-H335 VanDerWaalsContact C-N 3.31Å; S333-H335 PolarHBondContact O-N 3.1Å; S333-H335 PolarHBondContact OG-CE1 3.3Å; S333-H335 VanDerWaalsContact OG-CG 3.25Å; S333-H335 PolarHBondContact OG-N 2.88Å; S333-H335 PolarHBondContact OG-ND1 2.88Å
334S87.9Confident91Very high121 Ų12145.3 Ų45.385%0.84628%0.283SS*.THydrogen-bonded Turntrans-77.5-11.2177.556.40000114.2V336S334-V336 VanDerWaalsContact C-N 3.26Å
335H88.9Confident92Very high65 Ų6542.1 Ų42.130%0.30126%0.263SS..THydrogen-bonded Turntrans-78.3-13176.168.9-120000112.6S333 C337 E354S333-H335 VanDerWaalsContact C-N 3.31Å; S333-H335 PolarHBondContact O-N 3.1Å; S333-H335 PolarHBondContact OG-CE1 3.3Å; S333-H335 VanDerWaalsContact OG-CG 3.25Å; S333-H335 PolarHBondContact OG-N 2.88Å; S333-H335 PolarHBondContact OG-ND1 2.88Å; H335-C337 PolarHBondContact O-N 3.31Å; H335-E354 HydrophobicContact CB-CB 4.24Å; H335-E354 HydrophobicContact CB-CG 4.14Å
336V90.8Very high92.6Very high4 Ų437.5 Ų37.52%0.02423%0.23CC..  trans-74122.4177.81780000108.5A264 D266 S334 G343 V345A264-V336 HydrophobicContact CB-CG2 3.65Å; D266-V336 HydrophobicContact CB-CB 4.22Å; D266-V336 HydrophobicContact CB-CG1 4.38Å; S334-V336 VanDerWaalsContact C-N 3.26Å; V336-G343 WeakPolarHBondContact CG1-O 3.38Å; V336-V345 HydrophobicContact CB-CG2 4.49Å; V336-V345 HydrophobicContact CG1-CG2 4.12Å; V336-V345 HydrophobicContact CG2-CB 4.3Å; V336-V345 HydrophobicContact CG2-CG2 3.94Å
337C87.1Confident92.8Very high67 Ų6735.4 Ų35.445%0.45322%0.216SC..  trans-106.5118.9178.3-161.60000109.4H335 S339 V340H335-C337 PolarHBondContact O-N 3.31Å; C337-S339 PolarHBondContact O-N 3.37Å; C337-S339 PolarHBondContact SG-OG 2.9Å; C337-S339 VanDerWaalsContact SG-OG 3.4Å; C337-V340 HydrophobicContact CB-CB 4.35Å; C337-V340 HydrophobicContact CB-CG2 4.03Å; C337-V340 PolarHBondContact O-N 3.18Å
338E83.6Confident92.9Very high47 Ų4731.8 Ų31.822%0.2220%0.199CC..THydrogen-bonded Turntrans-55.9-30.3-174.9-168.5-175.2161.500113.1A269 S286 N288 V340A269-E338 HydrophobicContact CB-CB 4.08Å; A269-E338 HydrophobicContact CB-CG 4.02Å; S286-E338 PolarHBondContact OG-O 2.77Å; N288-E338 HydrophobicContact CB-CG 4.42Å; N288-E338 WeakPolarHBondContact CB-O 3.39Å; E338-V340 VanDerWaalsContact C-N 3.32Å
339S82.6Confident92.8Very high85 Ų8530.9 Ų30.959%0.59419%0.194SC*.THydrogen-bonded Turntrans-79.8-6.3-179.958.80000114.8C337C337-S339 PolarHBondContact O-N 3.37Å; C337-S339 PolarHBondContact SG-OG 2.9Å; C337-S339 VanDerWaalsContact SG-OG 3.4Å
340V86.3Confident92.8Very high76 Ų7629.6 Ų29.646%0.46119%0.186SC..SBendtrans-112.9129.4-176.7-1770000110.5W250 C337 E338 G343W250-V340 HydrophobicContact CH2-CG1 4.39Å; W250-V340 HydrophobicContact CZ3-CG1 3.97Å; C337-V340 HydrophobicContact CB-CB 4.35Å; C337-V340 HydrophobicContact CB-CG2 4.03Å; C337-V340 PolarHBondContact O-N 3.18Å; E338-V340 VanDerWaalsContact C-N 3.32Å; V340-G343 PolarHBondContact O-N 3.45Å
341G89.8Confident92.7Very high18 Ų1830 Ų3019%0.18619%0.188CC..THydrogen-bonded Turntrans61.6-135.717900000112.5F289F289-G341 WeakPolarHBondContact CB-O 3.37Å; F289-G341 WeakPolarHBondContact CD2-O 3.35Å; F289-G341 WeakPolarHBondContact CG-O 3.39Å
342T95.5Very high92.4Very high2 Ų229.6 Ų29.61%0.01219%0.188CC..THydrogen-bonded Turntrans-94.6-0.2-179.960.10000113.2Y223 I248 W250 S286 F289 L344Y223-T342 HydrophobicContact CD1-CG2 3.9Å; Y223-T342 HydrophobicContact CE1-CG2 4.32Å; I248-T342 HydrophobicContact CB-CG2 4.41Å; I248-T342 HydrophobicContact CG2-CG2 3.88Å; I248-T342 WeakPolarHBondContact O-CB 3.35Å; I248-T342 PolarHBondContact O-OG1 2.82Å; W250-T342 HydrophobicContact CB-CG2 3.8Å; S286-T342 WeakPolarHBondContact CB-O 3.45Å; S286-T342 PolarHBondContact N-O 2.81Å; S286-T342 PolarHBondContact OG-O 2.97Å; F289-T342 HydrophobicContact CD1-CG2 3.76Å; F289-T342 HydrophobicContact CE1-CG2 3.64Å; F289-T342 HydrophobicContact CG-CG2 4.37Å; F289-T342 HydrophobicContact CZ-CG2 4.17Å; T342-L344 PolarHBondContact O-N 3.01Å; T342-L344 PolarHBondContact OG1-N 3.16Å; T342-L344 PolarHBondContact OG1-O 3.41Å; T342-L344 VanDerWaalsContact OG1-O 3.12Å
343G94.8Very high92Very high1 Ų132.1 Ų32.11%0.0120%0.195CC..SBendtrans63.49.2-167.300000115.3Y271 V336 V340Y271-G343 VanDerWaalsContact CE1-O 3.3Å; Y271-G343 WeakPolarHBondContact CE1-O 3.29Å; Y271-G343 PolarHBondContact OH-O 2.86Å; V336-G343 WeakPolarHBondContact CG1-O 3.38Å; V340-G343 PolarHBondContact O-N 3.45Å
344L96.4Very high91.9Very high2 Ų235.9 Ų35.91%0.0121%0.212CC..  trans-122.5107.3169.8-66.4177.4000108A247 I249 V263 Y271 L284 L313 F330 T342A247-L344 HydrophobicContact CB-CD1 3.76Å; I249-L344 HydrophobicContact CG2-CB 4.39Å; V263-L344 HydrophobicContact CG1-CB 3.86Å; V263-L344 HydrophobicContact CG1-CD2 4.08Å; V263-L344 HydrophobicContact CG1-CG 4.47Å; Y271-L344 HydrophobicContact CD1-CD2 4.13Å; Y271-L344 HydrophobicContact CD1-CG 4.37Å; Y271-L344 HydrophobicContact CE1-CD2 3.51Å; Y271-L344 HydrophobicContact CE1-CG 3.91Å; L284-L344 HydrophobicContact CD2-CD1 4.21Å; L284-L344 HydrophobicContact CG-CD1 4.2Å; L284-L344 WeakPolarHBondContact O-CD1 3.37Å; L313-L344 HydrophobicContact CD1-CD2 4.22Å; F330-L344 HydrophobicContact CD1-CD2 4.49Å; F330-L344 HydrophobicContact CE1-CD1 4.33Å; F330-L344 HydrophobicContact CE1-CD2 3.85Å; T342-L344 PolarHBondContact O-N 3.01Å; T342-L344 PolarHBondContact OG1-N 3.16Å; T342-L344 PolarHBondContact OG1-O 3.41Å; T342-L344 VanDerWaalsContact OG1-O 3.12Å
345V96.4Very high92.2Very high46 Ų4631.3 Ų31.328%0.27918%0.177SC..EExtended strand (participates in β ladder)trans-99.2124.8-170.8-177.90000109.1V263 A264 V336 I347V263-V345 CarbonylContact C-O 3.46Å; V263-V345 WeakPolarHBondContact CA-O 3.33Å; A264-V345 HydrophobicContact CB-CB 4.46Å; A264-V345 PolarHBondContact N-O 2.9Å; A264-V345 PolarHBondContact O-N 3.16Å; V336-V345 HydrophobicContact CB-CG2 4.49Å; V336-V345 HydrophobicContact CG1-CG2 4.12Å; V336-V345 HydrophobicContact CG2-CB 4.3Å; V336-V345 HydrophobicContact CG2-CG2 3.94Å; V345-I347 HydrophobicContact CG1-CD1 4.27Å
346H96.4Very high92.5Very high12 Ų1228.6 Ų28.66%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-71.2134.3170.7105.793.3000108.7I249 T256 I257 N260I249-H346 HydrophobicContact CB-CB 4.49Å; I249-H346 HydrophobicContact CD1-CB 3.89Å; T256-H346 PolarHBondContact OG1-CE1 3Å; T256-H346 VanDerWaalsContact OG1-CE1 3.28Å; T256-H346 PolarHBondContact OG1-NE2 3.16Å; I257-H346 HydrophobicContact CD1-CB 4.5Å; N260-H346 PolarHBondContact ND2-ND1 2.82Å
347I97.2Very high92.5Very high0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-103115.7-176.8-60.9-60.6000108.7N260 E261 A262 A264 V345 P349 D355 L358N260-I347 CarbonylContact C-O 3.6Å; N260-I347 WeakPolarHBondContact CA-O 3.35Å; N260-I347 PolarHBondContact ND2-N 3.4Å; N260-I347 VanDerWaalsContact ND2-N 3.17Å; N260-I347 PolarHBondContact ND2-O 2.97Å; E261-I347 PolarHBondContact N-O 3.4Å; A262-I347 HydrophobicContact CB-CB 4.12Å; A262-I347 HydrophobicContact CB-CG1 4.28Å; A262-I347 PolarHBondContact O-N 2.65Å; A264-I347 HydrophobicContact CB-CD1 3.6Å; A264-I347 HydrophobicContact CB-CG1 3.73Å; V345-I347 HydrophobicContact CG1-CD1 4.27Å; I347-P349 HydrophobicContact CG2-CG 4.22Å; I347-D355 HydrophobicContact CG2-CB 3.88Å; I347-L358 HydrophobicContact CD1-CD2 3.87Å; I347-L358 HydrophobicContact CG1-CD2 3.79Å; I347-L358 HydrophobicContact CG2-CD2 4.29Å
348A96.5Very high92.9Very high1 Ų130.7 Ų30.71%0.00817%0.168CC..  trans-115.588.6173.300000110.2S259 C350 H351 D355S259-A348 WeakPolarHBondContact O-CA 3.47Å; A348-C350 PolarHBondContact O-N 2.88Å; A348-H351 HydrophobicContact CB-CB 4.45Å; A348-H351 PolarHBondContact O-N 3.49Å; A348-D355 PolarHBondContact N-OD2 2.75Å
349P95.6Very high93.5Very high0 Ų028.5 Ų28.50%016%0.158CC..THydrogen-bonded Turntrans-55.9-27.8-168.1-29.238.1000115.1S259 E261 I347 H351 F356 A359 L366S259-P349 VanDerWaalsContact O-CD 3.26Å; S259-P349 WeakPolarHBondContact O-CD 3.28Å; E261-P349 HydrophobicContact CB-CG 4.32Å; E261-P349 HydrophobicContact CG-CG 4.26Å; I347-P349 HydrophobicContact CG2-CG 4.22Å; P349-H351 VanDerWaalsContact C-N 3.29Å; P349-H351 PolarHBondContact O-N 3.38Å; P349-F356 WeakPolarHBondContact O-CB 3.35Å; P349-A359 HydrophobicContact CB-CB 3.51Å; P349-A359 HydrophobicContact CG-CB 3.55Å; P349-L366 HydrophobicContact CB-CD2 3.49Å; P349-L366 VanDerWaalsContact CB-CD2 3.49Å; P349-L366 HydrophobicContact CG-CD2 4.46Å
350C95.7Very high94Very high0 Ų031.3 Ų31.30%016%0.159CC..THydrogen-bonded Turntrans-81.1-5.7-178.9-63.50000114.3A348 N367 L368 R428 L429A348-C350 PolarHBondContact O-N 2.88Å; C350-N367 VanDerWaalsContact SG-C 3.53Å; C350-N367 PolarHBondContact SG-O 3.4Å; C350-L368 HydrophobicContact CB-CB 4.35Å; C350-L368 HydrophobicContact CB-CD1 4.01Å; C350-R428 CarbonylContact O-C 3.53Å; C350-R428 WeakPolarHBondContact O-CA 3.38Å; C350-L429 HydrophobicContact CB-CB 3.97Å; C350-L429 PolarHBondContact O-N 3.2Å
351H95.7Very high94.4Very high18 Ų1834.9 Ų34.98%0.08317%0.169CC..SBendtrans-134.38.3-167.3-57.6-56.7000114.4W255 T256 S259 A348 P349 I427W255-H351 HydrophobicContact CH2-CB 4.36Å; W255-H351 AromaticContact CH2-CG 3.88Å; W255-H351 AromaticContact CH2-ND1 3.56Å; W255-H351 AromaticContact CZ3-CD2 3.96Å; W255-H351 AromaticContact CZ3-CE1 3.56Å; W255-H351 AromaticContact CZ3-CG 3.8Å; W255-H351 AromaticContact CZ3-ND1 3.53Å; W255-H351 AromaticContact CZ3-NE2 3.83Å; T256-H351 HydrophobicContact CG2-CB 3.85Å; S259-H351 PolarHBondContact OG-NE2 3.35Å; A348-H351 HydrophobicContact CB-CB 4.45Å; A348-H351 PolarHBondContact O-N 3.49Å; P349-H351 VanDerWaalsContact C-N 3.29Å; P349-H351 PolarHBondContact O-N 3.38Å; H351-I427 VanDerWaalsContact C-CG2 3.5Å; H351-I427 PolarHBondContact ND1-O 2.97Å; H351-I427 WeakPolarHBondContact O-CB 3.2Å; H351-I427 WeakPolarHBondContact O-CG2 3.32Å
352G91.8Very high94.6Very high8 Ų837.9 Ų37.98%0.08218%0.175CC..  trans-150.9144176.600000110.8P195 F356P195-G352 WeakPolarHBondContact CG-O 3.49Å; G352-F356 WeakPolarHBondContact O-CB 3.31Å; G352-F356 PolarHBondContact O-N 2.85Å
353K88.9Confident94.6Very high87 Ų8745.1 Ų45.138%0.37821%0.213SC..Hα-helixtrans-70-50.8-179.6-178.9-172.4170.9-166.40110.6D355 F356 E357K353-D355 VanDerWaalsContact C-N 3.25Å; K353-D355 PolarHBondContact O-N 2.89Å; K353-F356 WeakPolarHBondContact O-CB 3.32Å; K353-F356 PolarHBondContact O-N 3.27Å; K353-E357 WeakPolarHBondContact CE-OE1 3.24Å; K353-E357 IonicContact NZ-OE1 3.86Å; K353-E357 WeakPolarHBondContact O-CG 3.31Å; K353-E357 PolarHBondContact O-N 3.33Å
354E91.6Very high94.6Very high94 Ų9446.1 Ų46.144%0.43922%0.218SC..Hα-helixtrans-62.5-37179.1-6476.1-167.600111.1H335 E357 L358H335-E354 HydrophobicContact CB-CB 4.24Å; H335-E354 HydrophobicContact CB-CG 4.14Å; E354-E357 PolarHBondContact O-N 3.35Å; E354-L358 WeakPolarHBondContact O-CB 3.32Å; E354-L358 PolarHBondContact O-N 3.36Å
355D94.9Very high94.5Very high24 Ų2449.1 Ų49.113%0.12824%0.238CC..Hα-helixtrans-62.3-44.7174.4-64.821.9000111.5I347 A348 K353 L358 A359I347-D355 HydrophobicContact CG2-CB 3.88Å; A348-D355 PolarHBondContact N-OD2 2.75Å; K353-D355 VanDerWaalsContact C-N 3.25Å; K353-D355 PolarHBondContact O-N 2.89Å; D355-L358 PolarHBondContact O-N 3.03Å; D355-A359 WeakPolarHBondContact O-CB 3.25Å; D355-A359 PolarHBondContact O-N 2.67Å
356F94.3Very high94.4Very high8 Ų850.5 Ų50.54%0.03524%0.244CC..Hα-helixtrans-65.6-41.3177.3179.7-96.8000112.7S193 L194 P195 P349 G352 K353 L358 A359 K360 L366 L429S193-F356 WeakPolarHBondContact O-CZ 3.4Å; L194-F356 HydrophobicContact CD2-CD1 4.22Å; L194-F356 HydrophobicContact CD2-CE1 3.45Å; L194-F356 VanDerWaalsContact CD2-CE1 3.45Å; L194-F356 HydrophobicContact CD2-CZ 3.96Å; P195-F356 HydrophobicContact CG-CB 3.41Å; P195-F356 VanDerWaalsContact CG-CB 3.41Å; P195-F356 HydrophobicContact CG-CD1 4.35Å; P195-F356 HydrophobicContact CG-CD2 4Å; P195-F356 HydrophobicContact CG-CG 3.67Å; P349-F356 WeakPolarHBondContact O-CB 3.35Å; G352-F356 WeakPolarHBondContact O-CB 3.31Å; G352-F356 PolarHBondContact O-N 2.85Å; K353-F356 WeakPolarHBondContact O-CB 3.32Å; K353-F356 PolarHBondContact O-N 3.27Å; F356-L358 VanDerWaalsContact C-N 3.33Å; F356-A359 WeakPolarHBondContact O-CB 3.29Å; F356-A359 PolarHBondContact O-N 3.15Å; F356-K360 HydrophobicContact CE1-CD 3.77Å; F356-K360 HydrophobicContact CE1-CG 4.11Å; F356-K360 HydrophobicContact CZ-CD 4.11Å; F356-K360 HydrophobicContact CZ-CG 4.22Å; F356-K360 PolarHBondContact O-N 2.72Å; F356-L366 HydrophobicContact CD2-CD2 4.06Å; F356-L366 HydrophobicContact CE2-CD1 3.87Å; F356-L366 HydrophobicContact CE2-CD2 4.16Å; F356-L429 HydrophobicContact CD2-CD1 3.86Å; F356-L429 HydrophobicContact CE2-CD1 3.53Å; F356-L429 HydrophobicContact CZ-CD1 4.36Å
357E92.5Very high94.2Very high107 Ų10752.2 Ų52.250%0.525%0.253SS..Hα-helixtrans-63.2-42.1176.1-72.9175.7-177.900111.2K353 E354 K360 K361K353-E357 WeakPolarHBondContact CE-OE1 3.24Å; K353-E357 IonicContact NZ-OE1 3.86Å; K353-E357 WeakPolarHBondContact O-CG 3.31Å; K353-E357 PolarHBondContact O-N 3.33Å; E354-E357 PolarHBondContact O-N 3.35Å; E357-K360 PolarHBondContact O-N 2.9Å; E357-K361 PolarHBondContact O-N 3.4Å
358L95Very high94.1Very high8 Ų854.5 Ų54.54%0.04227%0.265CS..Hα-helixtrans-63.8-42.7174.3-168.171000111.4A264 L331 I347 E354 D355 F356 K360 K361 Y362A264-L358 HydrophobicContact CB-CD2 3.97Å; L331-L358 HydrophobicContact CB-CD2 4.34Å; I347-L358 HydrophobicContact CD1-CD2 3.87Å; I347-L358 HydrophobicContact CG1-CD2 3.79Å; I347-L358 HydrophobicContact CG2-CD2 4.29Å; E354-L358 WeakPolarHBondContact O-CB 3.32Å; E354-L358 PolarHBondContact O-N 3.36Å; D355-L358 PolarHBondContact O-N 3.03Å; F356-L358 VanDerWaalsContact C-N 3.33Å; L358-K360 PolarHBondContact O-N 3.07Å; L358-K361 WeakPolarHBondContact O-CB 3.47Å; L358-K361 PolarHBondContact O-N 2.86Å; L358-Y362 HydrophobicContact CD1-CD2 3.84Å; L358-Y362 HydrophobicContact CD1-CE2 3.59Å; L358-Y362 HydrophobicContact CG-CD2 4.13Å; L358-Y362 HydrophobicContact CG-CE2 4.36Å; L358-Y362 WeakPolarHBondContact O-CD2 3.27Å; L358-Y362 PolarHBondContact O-N 3.18Å; L358-Y362 VanDerWaalsContact O-N 3.13Å
359A95.6Very high94Very high1 Ų155.9 Ų55.91%0.00827%0.271CS..Hα-helixtrans-60-45.6176.100000112.3P349 D355 F356 K361 Y362 D363 L364 L366P349-A359 HydrophobicContact CB-CB 3.51Å; P349-A359 HydrophobicContact CG-CB 3.55Å; D355-A359 WeakPolarHBondContact O-CB 3.25Å; D355-A359 PolarHBondContact O-N 2.67Å; F356-A359 WeakPolarHBondContact O-CB 3.29Å; F356-A359 PolarHBondContact O-N 3.15Å; A359-K361 VanDerWaalsContact C-N 3.31Å; A359-K361 PolarHBondContact O-N 3.04Å; A359-Y362 CarbonylContact O-C 3.53Å; A359-Y362 PolarHBondContact O-N 3.18Å; A359-D363 WeakPolarHBondContact O-CA 3.45Å; A359-D363 PolarHBondContact O-N 3.34Å; A359-L364 HydrophobicContact CB-CB 3.85Å; A359-L364 HydrophobicContact CB-CD1 4.3Å; A359-L364 HydrophobicContact CB-CG 4.42Å; A359-L364 PolarHBondContact O-N 2.8Å; A359-L366 HydrophobicContact CB-CD2 4.13Å
360K92.5Very high94Very high145 Ų14556 Ų5663%0.6327%0.272SS*.Hα-helixtrans-59.6-40.9173.7-90.3-164.5170.3-177.10112.6F356 E357 L358 Y362F356-K360 HydrophobicContact CE1-CD 3.77Å; F356-K360 HydrophobicContact CE1-CG 4.11Å; F356-K360 HydrophobicContact CZ-CD 4.11Å; F356-K360 HydrophobicContact CZ-CG 4.22Å; F356-K360 PolarHBondContact O-N 2.72Å; E357-K360 PolarHBondContact O-N 2.9Å; L358-K360 PolarHBondContact O-N 3.07Å; K360-Y362 VanDerWaalsContact C-N 3.3Å; K360-Y362 PolarHBondContact O-N 3.19Å
361K94.6Very high93.9Very high150 Ų15058.5 Ų58.565%0.65229%0.285SS*.Hα-helixtrans-63.7-35.5-179.1-179.4178.6174.4-177.30112.7E357 L358 A359E357-K361 PolarHBondContact O-N 3.4Å; L358-K361 WeakPolarHBondContact O-CB 3.47Å; L358-K361 PolarHBondContact O-N 2.86Å; A359-K361 VanDerWaalsContact C-N 3.31Å; A359-K361 PolarHBondContact O-N 3.04Å
362Y95.7Very high93.7Very high82 Ų8262.4 Ų62.432%0.32230%0.303SS..Hα-helixtrans-111.712.4-175.9-67.4-77.9000114.1L331 P332 L358 A359 K360 L364L331-Y362 HydrophobicContact CB-CD2 4.45Å; L331-Y362 HydrophobicContact CB-CE2 4.3Å; L331-Y362 HydrophobicContact CD1-CD2 3.75Å; L331-Y362 HydrophobicContact CD1-CE2 4.4Å; L331-Y362 HydrophobicContact CD1-CG 3.87Å; L331-Y362 HydrophobicContact CD2-CD1 3.83Å; L331-Y362 HydrophobicContact CD2-CD2 4.16Å; L331-Y362 HydrophobicContact CD2-CE1 4.04Å; L331-Y362 HydrophobicContact CD2-CE2 4.32Å; L331-Y362 HydrophobicContact CD2-CG 3.89Å; L331-Y362 HydrophobicContact CG-CD2 4.36Å; L331-Y362 HydrophobicContact CG-CG 4.45Å; P332-Y362 WeakPolarHBondContact CG-OH 3.49Å; L358-Y362 HydrophobicContact CD1-CD2 3.84Å; L358-Y362 HydrophobicContact CD1-CE2 3.59Å; L358-Y362 HydrophobicContact CG-CD2 4.13Å; L358-Y362 HydrophobicContact CG-CE2 4.36Å; L358-Y362 WeakPolarHBondContact O-CD2 3.27Å; L358-Y362 PolarHBondContact O-N 3.18Å; L358-Y362 VanDerWaalsContact O-N 3.13Å; A359-Y362 CarbonylContact O-C 3.53Å; A359-Y362 PolarHBondContact O-N 3.18Å; K360-Y362 VanDerWaalsContact C-N 3.3Å; K360-Y362 PolarHBondContact O-N 3.19Å; Y362-L364 VanDerWaalsContact C-N 3.31Å; Y362-L364 PolarHBondContact O-N 3.34Å
363D95.1Very high93.6Very high153 Ų15363.8 Ų63.882%0.81831%0.312SS*.THydrogen-bonded Turntrans52.544.6-179-15832.5000113.4A359A359-D363 WeakPolarHBondContact O-CA 3.45Å; A359-D363 PolarHBondContact O-N 3.34Å
364L95.3Very high93.8Very high22 Ų2259.7 Ų59.712%0.11529%0.294CS..  trans-76.8147.7178.6-59.1-179.4000111.7E261 A262 P329 L331 A359 Y362E261-L364 HydrophobicContact CB-CB 4.16Å; E261-L364 HydrophobicContact CB-CD1 4.15Å; A262-L364 HydrophobicContact CB-CD1 3.88Å; P329-L364 HydrophobicContact CG-CD2 4.37Å; L331-L364 HydrophobicContact CD1-CD1 3.74Å; L331-L364 HydrophobicContact CD1-CD2 4.13Å; L331-L364 HydrophobicContact CD1-CG 4.26Å; A359-L364 HydrophobicContact CB-CB 3.85Å; A359-L364 HydrophobicContact CB-CD1 4.3Å; A359-L364 HydrophobicContact CB-CG 4.42Å; A359-L364 PolarHBondContact O-N 2.8Å; Y362-L364 VanDerWaalsContact C-N 3.31Å; Y362-L364 PolarHBondContact O-N 3.34Å
365P93.8Very high94.1Very high65 Ų6556.3 Ų56.342%0.42228%0.281SS..  trans-56.5144.1175.1-24.434000113.4E261E261-P365 HydrophobicContact CG-CB 4.33Å; E261-P365 WeakPolarHBondContact CG-O 3.44Å
366L94Very high94.1Very high76 Ų7655.4 Ų55.440%0.39828%0.276SS..  trans-105.272.1175.9-60.2-178.8000110.3P349 F356 A359 L368 L429P349-L366 HydrophobicContact CB-CD2 3.49Å; P349-L366 VanDerWaalsContact CB-CD2 3.49Å; P349-L366 HydrophobicContact CG-CD2 4.46Å; F356-L366 HydrophobicContact CD2-CD2 4.06Å; F356-L366 HydrophobicContact CE2-CD1 3.87Å; F356-L366 HydrophobicContact CE2-CD2 4.16Å; A359-L366 HydrophobicContact CB-CD2 4.13Å; L366-L368 PolarHBondContact O-N 2.92Å; L366-L429 HydrophobicContact CB-CD2 4.02Å; L366-L429 HydrophobicContact CD1-CD2 4.05Å
367N93Very high94.2Very high48 Ų4856.3 Ų56.326%0.25728%0.282SS..  trans-81.198.4-177.3-71.7-37.4000111.5S259 E261 R323 C350 F369S259-N367 WeakPolarHBondContact CB-O 3.43Å; S259-N367 PolarHBondContact OG-O 3.12Å; E261-N367 PolarHBondContact OE1-ND2 2.89Å; R323-N367 PolarHBondContact NH1-ND2 3.04Å; C350-N367 VanDerWaalsContact SG-C 3.53Å; C350-N367 PolarHBondContact SG-O 3.4Å; N367-F369 HydrophobicContact CB-CD2 4.44Å; N367-F369 HydrophobicContact CB-CE2 3.6Å; N367-F369 HydrophobicContact CB-CZ 3.67Å
368L93.8Very high94.2Very high48 Ų4859.7 Ų59.725%0.25130%0.298SS..  trans-95.4107.7179.4177.263.7000111.1C350 L366 R428 L429C350-L368 HydrophobicContact CB-CB 4.35Å; C350-L368 HydrophobicContact CB-CD1 4.01Å; L366-L368 PolarHBondContact O-N 2.92Å; L368-R428 HydrophobicContact CD1-CG 3.96Å; L368-L429 WeakPolarHBondContact CD2-O 3.29Å
369F95Very high93.9Very high30 Ų3066.1 Ų66.113%0.13233%0.328CS..  trans-104.716.1-179.1-58.5-62.5000114.3F258 S259 N367 F376 T377 E379 I380F258-F369 HydrophobicContact CB-CD2 3.87Å; F258-F369 HydrophobicContact CB-CE2 4.28Å; F258-F369 VanDerWaalsContact O-CE2 3.31Å; F258-F369 WeakPolarHBondContact O-CE2 3.26Å; S259-F369 WeakPolarHBondContact OG-CD2 3.45Å; N367-F369 HydrophobicContact CB-CD2 4.44Å; N367-F369 HydrophobicContact CB-CE2 3.6Å; N367-F369 HydrophobicContact CB-CZ 3.67Å; F369-F376 CarbonylContact O-C 3.55Å; F369-F376 VanDerWaalsContact O-CA 3.28Å; F369-F376 WeakPolarHBondContact O-CA 3.27Å; F369-T377 WeakPolarHBondContact CA-OG1 2.95Å; F369-T377 PolarHBondContact O-N 2.78Å; F369-E379 HydrophobicContact CD1-CB 4.12Å; F369-E379 HydrophobicContact CE1-CB 4.18Å; F369-I380 HydrophobicContact CB-CD1 3.65Å; F369-I380 HydrophobicContact CD1-CD1 4.01Å; F369-I380 HydrophobicContact CD2-CD1 3.86Å; F369-I380 HydrophobicContact CG-CD1 3.57Å
370V95.2Very high93.6Very high2 Ų267.3 Ų67.31%0.01233%0.334CS..BIsolated β-bridgetrans-126.3124.5-176.9-173.70000110W255 C375 F376 V389 R428W255-V370 HydrophobicContact CE3-CG2 4.04Å; W255-V370 HydrophobicContact CZ3-CG2 3.74Å; V370-C375 WeakPolarHBondContact CA-O 3.31Å; V370-F376 HydrophobicContact CG2-CD1 4.41Å; V370-V389 HydrophobicContact CG1-CG1 3.93Å; V370-V389 HydrophobicContact CG1-CG2 4.32Å; V370-V389 HydrophobicContact CG2-CG1 3.82Å; V370-R428 PolarHBondContact O-NE 3.04Å
371D94Very high93.4Very high52 Ų5261.9 Ų61.928%0.27832%0.319SS..  trans-78.6-178.9179.276.514.4000112.7S373 G374 C375 T377D371-S373 VanDerWaalsContact C-N 3.26Å; D371-S373 PolarHBondContact O-N 3.42Å; D371-S373 WeakPolarHBondContact OD1-CA 3.4Å; D371-S373 WeakPolarHBondContact OD1-CB 3.3Å; D371-S373 PolarHBondContact OD1-N 3.06Å; D371-G374 PolarHBondContact O-N 2.85Å; D371-G374 PolarHBondContact OD1-N 2.84Å; D371-G374 VanDerWaalsContact OD1-N 3.13Å; D371-C375 PolarHBondContact N-O 3.05Å; D371-C375 PolarHBondContact OD1-N 3.09Å; D371-T377 HydrophobicContact CB-CG2 4.25Å
372E90.6Very high93Very high100 Ų10059.7 Ų59.747%0.46733%0.328SS..THydrogen-bonded Turntrans-70.5-18.4-179-66.7-177.7169.900114.2W198 G374W198-E372 HydrophobicContact CH2-CG 4.37Å; W198-E372 HydrophobicContact CZ2-CB 3.84Å; W198-E372 HydrophobicContact CZ2-CG 3.9Å; W198-E372 PolarHBondContact NE1-O 3.06Å; E372-G374 VanDerWaalsContact C-N 3.27Å
373S91.5Very high92.6Very high37 Ų3763.8 Ų63.826%0.25935%0.351SS..THydrogen-bonded Turntrans-84.5-4.4174.4-600000112.3R203 D371 C375R203-S373 VanDerWaalsContact CZ-OG 3.3Å; R203-S373 PolarHBondContact NE-OG 3.02Å; R203-S373 PolarHBondContact NH2-OG 3.13Å; D371-S373 VanDerWaalsContact C-N 3.26Å; D371-S373 PolarHBondContact O-N 3.42Å; D371-S373 WeakPolarHBondContact OD1-CA 3.4Å; D371-S373 WeakPolarHBondContact OD1-CB 3.3Å; D371-S373 PolarHBondContact OD1-N 3.06Å; S373-C375 VanDerWaalsContact C-N 3.34Å
374G93.1Very high92.5Very high1 Ų157.1 Ų57.11%0.0132%0.315CS..SBendtrans75.726-171.900000112.7D371 E372 V389D371-G374 PolarHBondContact O-N 2.85Å; D371-G374 PolarHBondContact OD1-N 2.84Å; D371-G374 VanDerWaalsContact OD1-N 3.13Å; E372-G374 VanDerWaalsContact C-N 3.27Å; G374-V389 WeakPolarHBondContact O-CG2 3.49Å; G374-V389 PolarHBondContact O-N 3.26Å
375C95.8Very high92.5Very high24 Ų2457.6 Ų57.616%0.16232%0.322CS..BIsolated β-bridgetrans-106.7153.9175.4-68.60000110.6V370 D371 S373 G386 L387V370-C375 WeakPolarHBondContact CA-O 3.31Å; D371-C375 PolarHBondContact N-O 3.05Å; D371-C375 PolarHBondContact OD1-N 3.09Å; S373-C375 VanDerWaalsContact C-N 3.34Å; C375-G386 PolarHBondContact SG-O 3.13Å; C375-L387 VanDerWaalsContact CA-O 3.26Å; C375-L387 WeakPolarHBondContact CA-O 3.16Å
376F96.8Very high92.5Very high4 Ų456.9 Ų56.92%0.01833%0.327CS..BIsolated β-bridgetrans-66140.3174.5-73.5-69.2000112.6W255 F369 V370 I380 L384 G386 L387 V389 V397W255-F376 HydrophobicContact CB-CZ 3.76Å; F369-F376 CarbonylContact O-C 3.55Å; F369-F376 VanDerWaalsContact O-CA 3.28Å; F369-F376 WeakPolarHBondContact O-CA 3.27Å; V370-F376 HydrophobicContact CG2-CD1 4.41Å; F376-I380 HydrophobicContact CB-CB 4.49Å; F376-I380 HydrophobicContact CB-CG2 3.87Å; F376-I380 HydrophobicContact CD1-CG1 4.13Å; F376-I380 HydrophobicContact CG-CG2 4.4Å; F376-L384 WeakPolarHBondContact CB-O 3.15Å; F376-L384 HydrophobicContact CD2-CB 4.03Å; F376-L384 HydrophobicContact CG-CB 4.38Å; F376-G386 PolarHBondContact O-N 3.39Å; F376-L387 PolarHBondContact N-O 3.31Å; F376-V389 HydrophobicContact CD1-CG1 4.14Å; F376-V389 HydrophobicContact CD2-CG1 4.13Å; F376-V389 HydrophobicContact CE1-CG1 4.01Å; F376-V389 HydrophobicContact CE2-CG1 4.01Å; F376-V389 HydrophobicContact CG-CG1 4.2Å; F376-V389 HydrophobicContact CZ-CG1 3.95Å; F376-V397 HydrophobicContact CE2-CG2 3.85Å; F376-V397 HydrophobicContact CZ-CG2 3.62Å
377T95.1Very high92.7Very high28 Ų2855.4 Ų55.417%0.17232%0.319CS..  trans-72165.6175.7630000111.7F369 D371 E379 I380F369-T377 WeakPolarHBondContact CA-OG1 2.95Å; F369-T377 PolarHBondContact O-N 2.78Å; D371-T377 HydrophobicContact CB-CG2 4.25Å; T377-E379 WeakPolarHBondContact CB-OE2 3.44Å; T377-E379 PolarHBondContact O-N 2.79Å; T377-E379 PolarHBondContact OG1-OE2 2.95Å; T377-I380 VanDerWaalsContact O-CG2 3.28Å; T377-I380 WeakPolarHBondContact O-CG2 3.42Å; T377-I380 PolarHBondContact O-N 3.15Å
378Q92.2Very high92.8Very high178 Ų17854.4 Ų54.483%0.83232%0.316SS*.G310 helixtrans-64-25.4177.8-70.4-154.6-0.600113.4I380 G381Q378-I380 PolarHBondContact O-N 3.19Å; Q378-G381 PolarHBondContact O-N 3.01Å; Q378-G381 VanDerWaalsContact O-N 3.15Å
379E89.6Confident92.9Very high142 Ų14252.1 Ų52.166%0.66430%0.304SS*.G310 helixtrans-63.6-22.5-178-62.3130.7167.300113.1F369 T377 G381F369-E379 HydrophobicContact CD1-CB 4.12Å; F369-E379 HydrophobicContact CE1-CB 4.18Å; T377-E379 WeakPolarHBondContact CB-OE2 3.44Å; T377-E379 PolarHBondContact O-N 2.79Å; T377-E379 PolarHBondContact OG1-OE2 2.95Å; E379-G381 PolarHBondContact O-N 3.34Å
380I89.7Confident92.7Very high27 Ų2752.8 Ų52.814%0.13831%0.308CS..G310 helixtrans-69.7-22.7178.8-149.466.2000112.7F258 F369 F376 T377 Q378 L384 A385F258-I380 HydrophobicContact CB-CD1 3.49Å; F258-I380 VanDerWaalsContact CB-CD1 3.49Å; F258-I380 HydrophobicContact CD1-CD1 3.25Å; F258-I380 HydrophobicContact CD1-CG1 3.87Å; F258-I380 HydrophobicContact CD2-CD1 4.13Å; F258-I380 HydrophobicContact CE1-CD1 3.91Å; F258-I380 HydrophobicContact CE1-CG1 4Å; F258-I380 HydrophobicContact CG-CD1 3.36Å; F258-I380 HydrophobicContact CG-CG1 4.11Å; F258-I380 HydrophobicContact CZ-CG1 4.38Å; F369-I380 HydrophobicContact CB-CD1 3.65Å; F369-I380 HydrophobicContact CD1-CD1 4.01Å; F369-I380 HydrophobicContact CD2-CD1 3.86Å; F369-I380 HydrophobicContact CG-CD1 3.57Å; F376-I380 HydrophobicContact CB-CB 4.49Å; F376-I380 HydrophobicContact CB-CG2 3.87Å; F376-I380 HydrophobicContact CD1-CG1 4.13Å; F376-I380 HydrophobicContact CG-CG2 4.4Å; T377-I380 VanDerWaalsContact O-CG2 3.28Å; T377-I380 WeakPolarHBondContact O-CG2 3.42Å; T377-I380 PolarHBondContact O-N 3.15Å; Q378-I380 PolarHBondContact O-N 3.19Å; I380-L384 HydrophobicContact CG1-CD1 4.18Å; I380-L384 HydrophobicContact CG2-CB 3.58Å; I380-A385 HydrophobicContact CG2-CB 4.49Å
381G87.5Confident92.5Very high31 Ų3158 Ų5832%0.3234%0.336SS..  trans109.9152.6-170.700000114.1Q378 E379 E383 L384 A385Q378-G381 PolarHBondContact O-N 3.01Å; Q378-G381 VanDerWaalsContact O-N 3.15Å; E379-G381 PolarHBondContact O-N 3.34Å; G381-E383 PolarHBondContact O-N 2.87Å; G381-E383 VanDerWaalsContact O-N 3.14Å; G381-L384 PolarHBondContact O-N 2.68Å; G381-A385 WeakPolarHBondContact O-CB 3.29Å; G381-A385 PolarHBondContact O-N 2.79Å
382A85.6Confident92.5Very high103 Ų10361.6 Ų61.685%0.85135%0.351SS*.THydrogen-bonded Turntrans-62.4-23-170.700000115L384A382-L384 VanDerWaalsContact C-N 3.34Å
383E88.1Confident92.7Very high168 Ų16856.8 Ų56.879%0.78533%0.329SS*.THydrogen-bonded Turntrans-72.5-25.5179.9-66.2-171.4168.600113.6G381G381-E383 PolarHBondContact O-N 2.87Å; G381-E383 VanDerWaalsContact O-N 3.14Å
384L93.9Very high92.8Very high13 Ų1356.2 Ų56.27%0.06832%0.323CS..THydrogen-bonded Turntrans-114.8-24.9-177-66.2174000112.9F258 F376 I380 G381 A382 G386 L387 V397F258-L384 HydrophobicContact CE1-CD1 4.21Å; F258-L384 HydrophobicContact CE2-CD1 3.69Å; F258-L384 HydrophobicContact CZ-CD1 3.35Å; F376-L384 WeakPolarHBondContact CB-O 3.15Å; F376-L384 HydrophobicContact CD2-CB 4.03Å; F376-L384 HydrophobicContact CG-CB 4.38Å; I380-L384 HydrophobicContact CG1-CD1 4.18Å; I380-L384 HydrophobicContact CG2-CB 3.58Å; G381-L384 PolarHBondContact O-N 2.68Å; A382-L384 VanDerWaalsContact C-N 3.34Å; L384-G386 PolarHBondContact O-N 3.13Å; L384-L387 HydrophobicContact CD2-CD1 4.35Å; L384-L387 WeakPolarHBondContact O-CB 3.35Å; L384-L387 WeakPolarHBondContact O-CG 3.25Å; L384-L387 PolarHBondContact O-N 3.33Å; L384-V397 HydrophobicContact CD1-CG2 4.07Å; L384-V397 HydrophobicContact CD2-CG2 4.23Å
385A94.6Very high92.9Very high32 Ų3259 Ų5926%0.26435%0.346SS..THydrogen-bonded Turntrans-50.8129.8-178.800000112I380 G381 L387I380-A385 HydrophobicContact CG2-CB 4.49Å; G381-A385 WeakPolarHBondContact O-CB 3.29Å; G381-A385 PolarHBondContact O-N 2.79Å; A385-L387 VanDerWaalsContact C-N 3.31Å; A385-L387 PolarHBondContact O-N 3Å
386G94.8Very high92.8Very high51 Ų5160.1 Ų60.153%0.52635%0.354SS..THydrogen-bonded Turntrans84.6-12.1-17900000115.7C375 F376 L384C375-G386 PolarHBondContact SG-O 3.13Å; F376-G386 PolarHBondContact O-N 3.39Å; L384-G386 PolarHBondContact O-N 3.13Å
387L96.2Very high92.8Very high45 Ų4559.9 Ų59.924%0.23635%0.353CS..  trans-77.7139.6177.9-59.4-177.5000111.8C375 F376 L384 A385 V389 E392C375-L387 VanDerWaalsContact CA-O 3.26Å; C375-L387 WeakPolarHBondContact CA-O 3.16Å; F376-L387 PolarHBondContact N-O 3.31Å; L384-L387 HydrophobicContact CD2-CD1 4.35Å; L384-L387 WeakPolarHBondContact O-CB 3.35Å; L384-L387 WeakPolarHBondContact O-CG 3.25Å; L384-L387 PolarHBondContact O-N 3.33Å; A385-L387 VanDerWaalsContact C-N 3.31Å; A385-L387 PolarHBondContact O-N 3Å; L387-V389 PolarHBondContact O-N 3.11Å; L387-E392 HydrophobicContact CD2-CB 4.45Å
388S95.6Very high92.8Very high26 Ų2659.9 Ų59.918%0.18235%0.351CS..BIsolated β-bridgetrans-64.1127176.5168.90000111.8L390 D391 G393S388-L390 PolarHBondContact O-N 3.41Å; S388-L390 PolarHBondContact OG-N 2.77Å; S388-D391 PolarHBondContact O-N 2.86Å; S388-G393 WeakPolarHBondContact O-CA 3.16Å; S388-G393 PolarHBondContact O-N 3.19Å
389V95.5Very high92.9Very high0 Ų059.1 Ų59.10%035%0.345CS..THydrogen-bonded Turntrans-71.5-14.3179.7-55.40000113.9W255 V370 G374 F376 L387 N394 V426W255-V389 HydrophobicContact CB-CB 4.23Å; W255-V389 VanDerWaalsContact CD1-O 3.25Å; W255-V389 HydrophobicContact CD2-CB 3.81Å; W255-V389 HydrophobicContact CD2-CG1 4.43Å; W255-V389 HydrophobicContact CD2-CG2 4.13Å; W255-V389 HydrophobicContact CE3-CB 3.98Å; W255-V389 HydrophobicContact CE3-CG1 4.13Å; W255-V389 HydrophobicContact CE3-CG2 4.25Å; W255-V389 HydrophobicContact CG-CB 3.95Å; W255-V389 HydrophobicContact CZ2-CG2 4.39Å; W255-V389 HydrophobicContact CZ3-CG2 4.44Å; V370-V389 HydrophobicContact CG1-CG1 3.93Å; V370-V389 HydrophobicContact CG1-CG2 4.32Å; V370-V389 HydrophobicContact CG2-CG1 3.82Å; G374-V389 WeakPolarHBondContact O-CG2 3.49Å; G374-V389 PolarHBondContact O-N 3.26Å; F376-V389 HydrophobicContact CD1-CG1 4.14Å; F376-V389 HydrophobicContact CD2-CG1 4.13Å; F376-V389 HydrophobicContact CE1-CG1 4.01Å; F376-V389 HydrophobicContact CE2-CG1 4.01Å; F376-V389 HydrophobicContact CG-CG1 4.2Å; F376-V389 HydrophobicContact CZ-CG1 3.95Å; L387-V389 PolarHBondContact O-N 3.11Å; V389-N394 WeakPolarHBondContact O-CB 3.25Å; V389-V426 HydrophobicContact CG2-CG1 4.09Å
390L92.3Very high93.1Very high44 Ų4456.4 Ų56.423%0.2334%0.335CS..THydrogen-bonded Turntrans-89.1-19.7177.4-70.8175.9000112.7T200 S388 P424 V426T200-L390 HydrophobicContact CG2-CD1 4.27Å; S388-L390 PolarHBondContact O-N 3.41Å; S388-L390 PolarHBondContact OG-N 2.77Å; L390-P424 HydrophobicContact CD1-CB 4.3Å; L390-P424 HydrophobicContact CD2-CB 4.36Å; L390-V426 HydrophobicContact CD1-CG1 4.27Å; L390-V426 HydrophobicContact CD2-CG1 3.64Å; L390-V426 HydrophobicContact CG-CG1 3.95Å
391D91Very high93.3Very high111 Ų11155.3 Ų55.359%0.59433%0.329SS*.THydrogen-bonded Turntrans-128-105-171.9-57.2-54.4000111.2S388 G393 N394 A395S388-D391 PolarHBondContact O-N 2.86Å; D391-G393 VanDerWaalsContact C-N 3.34Å; D391-G393 PolarHBondContact O-N 2.75Å; D391-N394 PolarHBondContact O-N 2.92Å; D391-A395 PolarHBondContact O-N 3.47Å; D391-A395 VanDerWaalsContact O-N 3.15Å
392E94Very high93.7Very high128 Ų12859.7 Ų59.760%0.59834%0.341SS*.Hα-helixtrans-59.7-41.5-172.5-63.9149.7177.300112.4L387 A395 S396L387-E392 HydrophobicContact CD2-CB 4.45Å; E392-A395 PolarHBondContact O-N 2.82Å; E392-S396 PolarHBondContact O-N 3.44Å; E392-S396 PolarHBondContact O-OG 3.1Å
393G93.9Very high94.2Very high0 Ų060 Ų600%034%0.335CS..Hα-helixtrans-61.6-46.9178.100000111.1S388 D391 A395 S396 V397S388-G393 WeakPolarHBondContact O-CA 3.16Å; S388-G393 PolarHBondContact O-N 3.19Å; D391-G393 VanDerWaalsContact C-N 3.34Å; D391-G393 PolarHBondContact O-N 2.75Å; G393-A395 VanDerWaalsContact C-N 3.33Å; G393-A395 PolarHBondContact O-N 3.02Å; G393-S396 PolarHBondContact O-N 2.98Å; G393-V397 VanDerWaalsContact O-CG2 3.31Å; G393-V397 WeakPolarHBondContact O-CG2 3.44Å; G393-V397 PolarHBondContact O-N 3.21Å
394N94.2Very high94.5Very high25 Ų2554 Ų5413%0.13431%0.307CS..Hα-helixtrans-62.3-41.1178.5-163.143.7000112.1P254 W255 V389 D391 S396 V397 I398P254-N394 WeakPolarHBondContact CD-OD1 3.48Å; W255-N394 PolarHBondContact N-OD1 2.9Å; W255-N394 VanDerWaalsContact N-OD1 3.12Å; V389-N394 WeakPolarHBondContact O-CB 3.25Å; D391-N394 PolarHBondContact O-N 2.92Å; N394-S396 VanDerWaalsContact C-N 3.35Å; N394-V397 PolarHBondContact O-N 3.37Å; N394-I398 VanDerWaalsContact O-CG1 3.3Å; N394-I398 WeakPolarHBondContact O-CG1 3.49Å; N394-I398 PolarHBondContact O-N 2.7Å
395A94.4Very high94.6Very high59 Ų5954.8 Ų54.849%0.48831%0.313SS..Hα-helixtrans-62-42.7175.900000111.8D391 E392 G393 I398 K399D391-A395 PolarHBondContact O-N 3.47Å; D391-A395 VanDerWaalsContact O-N 3.15Å; E392-A395 PolarHBondContact O-N 2.82Å; G393-A395 VanDerWaalsContact C-N 3.33Å; G393-A395 PolarHBondContact O-N 3.02Å; A395-I398 PolarHBondContact O-N 2.7Å; A395-K399 PolarHBondContact O-N 3.08Å; A395-K399 VanDerWaalsContact O-N 3.1Å
396S95Very high94.6Very high47 Ų4754.6 Ų54.633%0.32931%0.307SS..Hα-helixtrans-63.9-40.8175.1-660000112.2E392 G393 N394 K399 L400E392-S396 PolarHBondContact O-N 3.44Å; E392-S396 PolarHBondContact O-OG 3.1Å; G393-S396 PolarHBondContact O-N 2.98Å; N394-S396 VanDerWaalsContact C-N 3.35Å; S396-K399 WeakPolarHBondContact O-CB 3.37Å; S396-K399 PolarHBondContact O-N 2.81Å; S396-L400 PolarHBondContact O-N 3.05Å
397V95.4Very high94.6Very high0 Ų054.6 Ų54.60%029%0.293CS..Hα-helixtrans-62.3-45.3174.4175.50000111.4P254 I257 F258 F376 L384 G393 N394 K399 L400 L401P254-V397 HydrophobicContact CB-CG1 4.27Å; P254-V397 WeakPolarHBondContact O-CG1 3.31Å; I257-V397 HydrophobicContact CG2-CG1 4.04Å; F258-V397 HydrophobicContact CD2-CG1 4.47Å; F258-V397 HydrophobicContact CD2-CG2 4.3Å; F258-V397 HydrophobicContact CE2-CB 4.34Å; F258-V397 HydrophobicContact CE2-CG1 3.88Å; F258-V397 HydrophobicContact CE2-CG2 3.6Å; F376-V397 HydrophobicContact CE2-CG2 3.85Å; F376-V397 HydrophobicContact CZ-CG2 3.62Å; L384-V397 HydrophobicContact CD1-CG2 4.07Å; L384-V397 HydrophobicContact CD2-CG2 4.23Å; G393-V397 VanDerWaalsContact O-CG2 3.31Å; G393-V397 WeakPolarHBondContact O-CG2 3.44Å; G393-V397 PolarHBondContact O-N 3.21Å; N394-V397 PolarHBondContact O-N 3.37Å; V397-K399 PolarHBondContact O-N 3.16Å; V397-L400 WeakPolarHBondContact O-CB 3.45Å; V397-L400 PolarHBondContact O-N 3.25Å; V397-L400 VanDerWaalsContact O-N 3.11Å; V397-L401 HydrophobicContact CG1-CD1 3.68Å; V397-L401 HydrophobicContact CG1-CG 4.11Å; V397-L401 VanDerWaalsContact O-CG 3.27Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 3.37Å
398I95Very high94.6Very high28 Ų2858.1 Ų58.114%0.14431%0.307CS..Hα-helixtrans-57.6-40.4176.8-68.7160.5000111.1C220 V222 P254 N394 A395 L401 E402C220-I398 HydrophobicContact CB-CD1 3.84Å; V222-I398 HydrophobicContact CG1-CG1 4.44Å; P254-I398 HydrophobicContact CB-CG1 3.75Å; P254-I398 HydrophobicContact CG-CD1 4.04Å; P254-I398 HydrophobicContact CG-CG1 3.66Å; N394-I398 VanDerWaalsContact O-CG1 3.3Å; N394-I398 WeakPolarHBondContact O-CG1 3.49Å; N394-I398 PolarHBondContact O-N 2.7Å; A395-I398 PolarHBondContact O-N 2.7Å; I398-L401 PolarHBondContact O-N 3.12Å; I398-E402 PolarHBondContact O-N 3.25Å
399K94.7Very high94.5Very high162 Ų16259.8 Ų59.870%0.70431%0.312SS*.Hα-helixtrans-65.8-41.8176.8-169.6179.5-179.7-174.90111.9A395 S396 V397 L401 E402A395-K399 PolarHBondContact O-N 3.08Å; A395-K399 VanDerWaalsContact O-N 3.1Å; S396-K399 WeakPolarHBondContact O-CB 3.37Å; S396-K399 PolarHBondContact O-N 2.81Å; V397-K399 PolarHBondContact O-N 3.16Å; K399-L401 VanDerWaalsContact C-N 3.29Å; K399-L401 PolarHBondContact O-N 3.23Å; K399-E402 VanDerWaalsContact O-CB 3.32Å; K399-E402 WeakPolarHBondContact O-CB 3.07Å; K399-E402 PolarHBondContact O-N 3.24Å
400L93.5Very high94.5Very high85 Ų8564.8 Ų64.845%0.44534%0.342SS..Hα-helixtrans-61.9-37.9176.5-17376.5000112F258 S396 V397 E402 P403F258-L400 HydrophobicContact CE1-CD2 4.2Å; F258-L400 HydrophobicContact CE2-CD2 4.34Å; F258-L400 HydrophobicContact CZ-CD2 3.47Å; F258-L400 VanDerWaalsContact CZ-CD2 3.47Å; S396-L400 PolarHBondContact O-N 3.05Å; V397-L400 WeakPolarHBondContact O-CB 3.45Å; V397-L400 PolarHBondContact O-N 3.25Å; V397-L400 VanDerWaalsContact O-N 3.11Å; L400-E402 VanDerWaalsContact C-N 3.3Å; L400-E402 PolarHBondContact O-N 3.48Å; L400-P403 WeakPolarHBondContact O-CD 3.3Å
401L94.9Very high94.6Very high4 Ų464.8 Ų64.82%0.02134%0.342CS..THydrogen-bonded Turntrans-81.5-4.7-178.4-61.6171.1000113.9L224 P254 I257 T322 V397 I398 K399 P403 I404 T405L224-L401 HydrophobicContact CD1-CD1 4.05Å; L224-L401 HydrophobicContact CD2-CB 4.1Å; L224-L401 HydrophobicContact CD2-CD1 4.33Å; P254-L401 HydrophobicContact CB-CD1 4.37Å; I257-L401 HydrophobicContact CB-CD1 4.48Å; I257-L401 HydrophobicContact CG1-CD2 4.42Å; I257-L401 HydrophobicContact CG2-CD1 3.98Å; I257-L401 HydrophobicContact CG2-CD2 4.02Å; I257-L401 HydrophobicContact CG2-CG 4.47Å; T322-L401 HydrophobicContact CG2-CD2 3.99Å; V397-L401 HydrophobicContact CG1-CD1 3.68Å; V397-L401 HydrophobicContact CG1-CG 4.11Å; V397-L401 VanDerWaalsContact O-CG 3.27Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 3.37Å; I398-L401 PolarHBondContact O-N 3.12Å; K399-L401 VanDerWaalsContact C-N 3.29Å; K399-L401 PolarHBondContact O-N 3.23Å; L401-P403 VanDerWaalsContact C-N 3.33Å; L401-I404 HydrophobicContact CB-CG1 4.4Å; L401-I404 HydrophobicContact CD2-CD1 3.95Å; L401-I404 HydrophobicContact CD2-CG1 4.43Å; L401-I404 CarbonylContact O-C 3.55Å; L401-I404 VanDerWaalsContact O-CG1 3.23Å; L401-I404 WeakPolarHBondContact O-CG1 3.42Å; L401-I404 PolarHBondContact O-N 3.39Å; L401-T405 PolarHBondContact O-N 2.83Å; L401-T405 PolarHBondContact O-OG1 3.37Å
402E95.8Very high94.7Very high122 Ų12263 Ų6357%0.5734%0.339SS*.G310 helixtrans-52.3-41.1-175.7-165.4172.1-138.400113.8I398 K399 L400 I404 T405I398-E402 PolarHBondContact O-N 3.25Å; K399-E402 VanDerWaalsContact O-CB 3.32Å; K399-E402 WeakPolarHBondContact O-CB 3.07Å; K399-E402 PolarHBondContact O-N 3.24Å; L400-E402 VanDerWaalsContact C-N 3.3Å; L400-E402 PolarHBondContact O-N 3.48Å; E402-I404 PolarHBondContact O-N 2.71Å; E402-T405 PolarHBondContact O-N 3.49Å; E402-T405 VanDerWaalsContact O-N 3.13Å
403P94.7Very high94.7Very high109 Ų10959.4 Ų59.471%0.70832%0.321SS*.G310 helixtrans-61.9-25.8178.6-24.235.5000115.2L400 L401L400-P403 WeakPolarHBondContact O-CD 3.3Å; L401-P403 VanDerWaalsContact C-N 3.33Å
404I95Very high94.6Very high42 Ų4262.1 Ų62.122%0.21534%0.341CS..G310 helixtrans-106.7-0.4178.564166.9000112.6L224 K225 P321 L401 E402L224-I404 WeakPolarHBondContact CA-O 3.32Å; L224-I404 HydrophobicContact CB-CD1 4.49Å; L224-I404 HydrophobicContact CD2-CG1 4.37Å; K225-I404 WeakPolarHBondContact CG-O 3.35Å; K225-I404 PolarHBondContact N-O 3.42Å; P321-I404 HydrophobicContact CB-CD1 3.87Å; L401-I404 HydrophobicContact CB-CG1 4.4Å; L401-I404 HydrophobicContact CD2-CD1 3.95Å; L401-I404 HydrophobicContact CD2-CG1 4.43Å; L401-I404 CarbonylContact O-C 3.55Å; L401-I404 VanDerWaalsContact O-CG1 3.23Å; L401-I404 WeakPolarHBondContact O-CG1 3.42Å; L401-I404 PolarHBondContact O-N 3.39Å; E402-I404 PolarHBondContact O-N 2.71Å
405T96.6Very high94.7Very high31 Ų3161.9 Ų61.919%0.1934%0.338CS..EExtended strand (participates in β ladder)trans-81122.3178.5-60.80000109.6L224 L401 E402 H407 K408L224-T405 WeakPolarHBondContact CD2-OG1 3.29Å; L401-T405 PolarHBondContact O-N 2.83Å; L401-T405 PolarHBondContact O-OG1 3.37Å; E402-T405 PolarHBondContact O-N 3.49Å; E402-T405 VanDerWaalsContact O-N 3.13Å; T405-H407 WeakPolarHBondContact CG2-O 3.37Å; T405-K408 HydrophobicContact CG2-CB 4.39Å
406I94.4Very high94.6Very high28 Ų2860 Ų6014%0.14432%0.32CS..EExtended strand (participates in β ladder)trans-92.2-29.6175.555.2158.9000112.2Y223 K225 I248 L293 L297Y223-I406 WeakPolarHBondContact O-CG1 3.1Å; Y223-I406 PolarHBondContact O-N 3Å; K225-I406 HydrophobicContact CB-CG2 3.95Å; K225-I406 HydrophobicContact CD-CG2 3.9Å; K225-I406 HydrophobicContact CG-CG2 3.98Å; I248-I406 HydrophobicContact CB-CD1 4.4Å; I248-I406 HydrophobicContact CD1-CD1 3.98Å; I248-I406 HydrophobicContact CG1-CD1 4.15Å; I248-I406 HydrophobicContact CG2-CD1 3.39Å; I248-I406 HydrophobicContact CG2-CG1 4.31Å; L293-I406 HydrophobicContact CD1-CD1 3.72Å; L297-I406 HydrophobicContact CD1-CB 4.32Å; L297-I406 HydrophobicContact CD1-CD1 4.25Å; L297-I406 WeakPolarHBondContact CD2-O 3.49Å
407H95.1Very high94.6Very high50 Ų5059.5 Ų59.523%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-155.3148.7178.2-168.872.5000110.5Y223 T405Y223-H407 HydrophobicContact CD2-CB 3.86Å; Y223-H407 AromaticContact CD2-CD2 3.86Å; Y223-H407 AromaticContact CE2-CD2 3.81Å; Y223-H407 HydrophobicContact CG-CB 4.36Å; Y223-H407 PolarHBondContact N-O 3.34Å; T405-H407 WeakPolarHBondContact CG2-O 3.37Å
408K95.1Very high94.3Very high120 Ų12059.5 Ų59.552%0.52231%0.312SS..EExtended strand (participates in β ladder)trans-140.7140.7172.474.5-177-177.2-170.40110.7S221 V222 T405S221-K408 VanDerWaalsContact O-CA 3.29Å; S221-K408 WeakPolarHBondContact O-CA 3.45Å; V222-K408 HydrophobicContact CG1-CB 4.28Å; T405-K408 HydrophobicContact CG2-CB 4.39Å
409E94.6Very high93.4Very high60 Ų6061.5 Ų61.528%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-146.5156.6178.560.7-177.8154.100111S221 Y223 K292 I411S221-E409 PolarHBondContact N-O 3.02Å; S221-E409 PolarHBondContact O-N 3.12Å; Y223-E409 HydrophobicContact CE2-CG 4.28Å; Y223-E409 WeakPolarHBondContact CE2-OE1 3.34Å; Y223-E409 PolarHBondContact OH-OE1 3.32Å; K292-E409 IonicContact NZ-OE1 2.65Å; E409-I411 HydrophobicContact CG-CG2 4.05Å
410V95.2Very high92.6Very high106 Ų10658.4 Ų58.464%0.64230%0.302SS*.EExtended strand (participates in β ladder)trans-100.4124.7172.5178.10000108.2K218 S219K218-V410 HydrophobicContact CB-CG1 4.21Å; S219-V410 WeakPolarHBondContact O-CA 3.39Å
411I93.4Very high92.1Very high43 Ų4356 Ų5622%0.22129%0.29CS..EExtended strand (participates in β ladder)trans-115.8148.2179.665.6172.2000110.8K218 S219 T252 E409K218-I411 WeakPolarHBondContact CA-O 3.46Å; S219-I411 PolarHBondContact N-O 3.26Å; S219-I411 PolarHBondContact O-N 3.46Å; T252-I411 HydrophobicContact CG2-CD1 3.63Å; E409-I411 HydrophobicContact CG-CG2 4.05Å
412S94.5Very high91.7Very high75 Ų7562.7 Ų62.752%0.52432%0.315SS..EExtended strand (participates in β ladder)trans-102.5128.7168.9-80.30000109.6H217H217-S412 VanDerWaalsContact O-CA 3.3Å; H217-S412 WeakPolarHBondContact O-CA 3.4Å
413H92.9Very high91.5Very high51 Ų5162 Ų6224%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-155.3173.1-176.974.2124.5000112.4L215 H217 S219 Y415L215-H413 CarbonylContact C-O 3.56Å; L215-H413 CarbonylContact O-C 3.46Å; H217-H413 AromaticContact CD2-NE2 3.95Å; H217-H413 PolarHBondContact N-O 2.9Å; H217-H413 PolarHBondContact O-N 2.83Å; S219-H413 PolarHBondContact OG-NE2 3.03Å; H413-Y415 AromaticContact CE1-CD2 3.91Å; H413-Y415 PolarHBondContact O-N 3.43Å
414S93.3Very high91.5Very high58 Ų5858.2 Ų58.241%0.40629%0.286SS..EExtended strand (participates in β ladder)trans-73.8122.7177-170.20000111N214N214-S414 CarbonylContact O-C 3.59Å; N214-S414 VanDerWaalsContact O-CA 3.3Å; N214-S414 WeakPolarHBondContact O-CA 3.49Å
415Y94.6Very high91.5Very high19 Ų1956.2 Ų56.28%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-133.2141.5179.7-163.7-86.7000111.5Y213 N214 H217 H413 Y417 P424 V425Y213-Y415 WeakPolarHBondContact CA-O 3.48Å; N214-Y415 PolarHBondContact N-O 2.89Å; N214-Y415 PolarHBondContact O-N 3.26Å; H217-Y415 VanDerWaalsContact CB-CB 3.45Å; H217-Y415 HydrophobicContact CB-CG 4.37Å; H217-Y415 AromaticContact CD2-CD2 3.84Å; H217-Y415 AromaticContact CD2-CG 3.61Å; H217-Y415 VanDerWaalsContact CG-CB 3.45Å; H217-Y415 AromaticContact CG-CG 3.84Å; H217-Y415 AromaticContact NE2-CG 3.97Å; H413-Y415 AromaticContact CE1-CD2 3.91Å; H413-Y415 PolarHBondContact O-N 3.43Å; Y415-Y417 HydrophobicContact CD1-CD2 4.16Å; Y415-Y417 HydrophobicContact CD1-CE2 4.02Å; Y415-Y417 WeakPolarHBondContact O-CD2 3.22Å; Y415-P424 HydrophobicContact CD1-CB 4.02Å; Y415-P424 HydrophobicContact CE1-CB 3.7Å; Y415-V425 WeakPolarHBondContact CE1-O 3.23Å; Y415-V425 PolarHBondContact OH-O 3.14Å
416P94Very high91.4Very high19 Ų1954.8 Ų54.812%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-73.2131.4-17930-36.3000111.9Y197 L211 Y213 V425Y197-P416 HydrophobicContact CD1-CG 4.42Å; Y197-P416 HydrophobicContact CE1-CB 4.19Å; Y197-P416 HydrophobicContact CE1-CG 3.95Å; L211-P416 HydrophobicContact CD1-CB 4.08Å; L211-P416 HydrophobicContact CD2-CB 4.34Å; Y213-P416 HydrophobicContact CD1-CB 4.42Å; Y213-P416 HydrophobicContact CE1-CB 4.05Å; P416-V425 HydrophobicContact CB-CG2 3.74Å; P416-V425 HydrophobicContact CG-CG2 3.82Å; P416-V425 WeakPolarHBondContact O-CG2 3.36Å; P416-V425 PolarHBondContact O-N 2.81Å; P416-V425 VanDerWaalsContact O-N 3.13Å
417Y93.8Very high91.4Very high37 Ų3755.8 Ų55.815%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-120.6149.3174.9-80.2-130.9000109.6L211 E212 N214 H217 Y415 W419 R422 K423 P424L211-Y417 WeakPolarHBondContact CA-O 3.2Å; E212-Y417 PolarHBondContact N-O 2.82Å; E212-Y417 WeakPolarHBondContact O-CA 3.45Å; E212-Y417 WeakPolarHBondContact O-CB 3.2Å; E212-Y417 PolarHBondContact O-N 3.49Å; N214-Y417 HydrophobicContact CB-CD2 3.68Å; N214-Y417 HydrophobicContact CB-CE2 3.56Å; N214-Y417 HydrophobicContact CB-CG 4.24Å; N214-Y417 PolarHBondContact ND2-OH 2.91Å; H217-Y417 HydrophobicContact CB-CE2 4.11Å; H217-Y417 AromaticContact ND1-CE2 3.48Å; H217-Y417 WeakPolarHBondContact ND1-CE2 3.41Å; H217-Y417 AromaticContact ND1-CZ 3.55Å; H217-Y417 PolarHBondContact ND1-OH 3.25Å; Y415-Y417 HydrophobicContact CD1-CD2 4.16Å; Y415-Y417 HydrophobicContact CD1-CE2 4.02Å; Y415-Y417 WeakPolarHBondContact O-CD2 3.22Å; Y417-W419 PolarHBondContact O-N 2.95Å; Y417-R422 VanDerWaalsContact CD1-C 3.47Å; Y417-R422 VanDerWaalsContact CD1-O 3.25Å; Y417-R422 WeakPolarHBondContact CD1-O 3.41Å; Y417-R422 WeakPolarHBondContact CE1-O 3.38Å; Y417-K423 VanDerWaalsContact CA-O 3.26Å; Y417-K423 WeakPolarHBondContact CA-O 3.22Å; Y417-K423 WeakPolarHBondContact CB-O 3.38Å; Y417-P424 HydrophobicContact CE1-CG 4.03Å; Y417-P424 HydrophobicContact CE2-CB 4.22Å; Y417-P424 HydrophobicContact CE2-CG 4.05Å
418D88.5Confident91.4Very high0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-65.9118.8166.2171.1-21000108.1S199 R420 T421 R422 K423 V425S199-D418 PolarHBondContact OG-OD2 3.18Å; D418-R420 PolarHBondContact O-N 3.32Å; D418-R420 PolarHBondContact OD1-N 2.83Å; D418-T421 VanDerWaalsContact CB-OG1 3.27Å; D418-T421 WeakPolarHBondContact CB-OG1 3.34Å; D418-T421 PolarHBondContact OD1-N 2.93Å; D418-T421 WeakPolarHBondContact OD2-CG2 3.17Å; D418-T421 PolarHBondContact OD2-OG1 3.44Å; D418-R422 WeakPolarHBondContact O-CA 2.99Å; D418-R422 PolarHBondContact O-N 3.09Å; D418-K423 PolarHBondContact N-O 3.11Å; D418-V425 HydrophobicContact CB-CG1 3.88Å
419W77.8Confident91.3Very high71 Ų7149.6 Ų49.627%0.26924%0.244SC..THydrogen-bonded Turntrans-57.7-23.3-175.171.6-45.7000114.5P116 E210 E212 Y417 R422P116-W419 HydrophobicContact CG-CZ2 4.39Å; E210-W419 VanDerWaalsContact O-CB 3.25Å; E210-W419 WeakPolarHBondContact O-CB 3.43Å; E210-W419 PolarHBondContact O-N 3.46Å; E212-W419 HydrophobicContact CB-CB 4.22Å; Y417-W419 PolarHBondContact O-N 2.95Å; W419-R422 PolarHBondContact O-NE 3.26Å
420R76.5Confident91.2Very high97 Ų9747.2 Ų47.237%0.36623%0.234SC..THydrogen-bonded Turntrans-95.4-52.9-178.8-67.1-60.1177.2164.1-0.9112.1L115 L119 D418 R422L115-R420 HydrophobicContact CD2-CB 4.45Å; L115-R420 HydrophobicContact CD2-CG 4.46Å; L119-R420 HydrophobicContact CD1-CB 4.23Å; D418-R420 PolarHBondContact O-N 3.32Å; D418-R420 PolarHBondContact OD1-N 2.83Å; R420-R422 PolarHBondContact O-N 3.06Å
421T84Confident91Very high34 Ų3444.8 Ų44.821%0.20922%0.222CC..THydrogen-bonded Turntrans-75.3-17-178.262.30000112.5C201 T202 D418 K423C201-T421 HydrophobicContact CB-CG2 4.37Å; T202-T421 HydrophobicContact CG2-CG2 3.65Å; D418-T421 VanDerWaalsContact CB-OG1 3.27Å; D418-T421 WeakPolarHBondContact CB-OG1 3.34Å; D418-T421 PolarHBondContact OD1-N 2.93Å; D418-T421 WeakPolarHBondContact OD2-CG2 3.17Å; D418-T421 PolarHBondContact OD2-OG1 3.44Å; T421-K423 PolarHBondContact O-N 2.55Å
422R86.7Confident91Very high145 Ų14543 Ų4355%0.54721%0.212SC..  trans56.631.8-176-56.8-67.9-176.9161.1-20.2111.8E212 Y417 D418 W419 R420E212-R422 IonicContact OE1-CZ 3.12Å; E212-R422 IonicContact OE1-NH1 2.64Å; E212-R422 PolarHBondContact OE1-NH1 3.1Å; E212-R422 IonicContact OE1-NH2 3.32Å; E212-R422 IonicContact OE2-CZ 3.79Å; E212-R422 IonicContact OE2-NE 2.82Å; E212-R422 IonicContact OE2-NH1 2.93Å; E212-R422 PolarHBondContact OE2-NH1 3.39Å; E212-R422 IonicContact OE2-NH2 2.85Å; E212-R422 PolarHBondContact OE2-NH2 3.49Å; Y417-R422 VanDerWaalsContact CD1-C 3.47Å; Y417-R422 VanDerWaalsContact CD1-O 3.25Å; Y417-R422 WeakPolarHBondContact CD1-O 3.41Å; Y417-R422 WeakPolarHBondContact CE1-O 3.38Å; D418-R422 WeakPolarHBondContact O-CA 2.99Å; D418-R422 PolarHBondContact O-N 3.09Å; W419-R422 PolarHBondContact O-NE 3.26Å; R420-R422 PolarHBondContact O-N 3.06Å
423K91.3Very high91.1Very high108 Ų10839.4 Ų39.447%0.4719%0.188SC..  trans-113.1152.6175.3-69.9-172.4178-176.80111.2C201 Y417 D418 T421C201-K423 HydrophobicContact CB-CD 4.05Å; Y417-K423 VanDerWaalsContact CA-O 3.26Å; Y417-K423 WeakPolarHBondContact CA-O 3.22Å; Y417-K423 WeakPolarHBondContact CB-O 3.38Å; D418-K423 PolarHBondContact N-O 3.11Å; T421-K423 PolarHBondContact O-N 2.55Å
424P94.3Very high91.2Very high28 Ų2837.1 Ų37.118%0.18218%0.177CC..BIsolated β-bridgetrans-58.5142.9175-16.527.3000111.3L390 Y415 Y417L390-P424 HydrophobicContact CD1-CB 4.3Å; L390-P424 HydrophobicContact CD2-CB 4.36Å; Y415-P424 HydrophobicContact CD1-CB 4.02Å; Y415-P424 HydrophobicContact CE1-CB 3.7Å; Y417-P424 HydrophobicContact CE1-CG 4.03Å; Y417-P424 HydrophobicContact CE2-CB 4.22Å; Y417-P424 HydrophobicContact CE2-CG 4.05Å
425V94.7Very high91.3Very high1 Ų134.4 Ų34.41%0.00616%0.158CC..  trans-100.1160.4169.1-61.80000110.9Y197 W198 I206 L211 Y415 P416 D418Y197-V425 HydrophobicContact CD1-CG2 3.82Å; W198-V425 WeakPolarHBondContact O-CB 3.44Å; I206-V425 HydrophobicContact CG1-CG1 4.48Å; L211-V425 HydrophobicContact CD2-CG1 4.3Å; L211-V425 HydrophobicContact CD2-CG2 3.85Å; Y415-V425 WeakPolarHBondContact CE1-O 3.23Å; Y415-V425 PolarHBondContact OH-O 3.14Å; P416-V425 HydrophobicContact CB-CG2 3.74Å; P416-V425 HydrophobicContact CG-CG2 3.82Å; P416-V425 WeakPolarHBondContact O-CG2 3.36Å; P416-V425 PolarHBondContact O-N 2.81Å; P416-V425 VanDerWaalsContact O-N 3.13Å; D418-V425 HydrophobicContact CB-CG1 3.88Å
426V95.1Very high91.3Very high1 Ų134.3 Ų34.31%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-112.5158.4170.7-61.70000109.8W198 T200 W255 V389 L390W198-V426 HydrophobicContact CB-CG2 4.1Å; W198-V426 PolarHBondContact N-O 3.26Å; W198-V426 PolarHBondContact O-N 2.96Å; T200-V426 HydrophobicContact CG2-CG1 4.41Å; T200-V426 HydrophobicContact CG2-CG2 3.98Å; W255-V426 HydrophobicContact CH2-CB 4.23Å; W255-V426 HydrophobicContact CH2-CG1 4.42Å; W255-V426 HydrophobicContact CZ2-CB 4.15Å; W255-V426 HydrophobicContact CZ2-CG1 3.98Å; V389-V426 HydrophobicContact CG2-CG1 4.09Å; L390-V426 HydrophobicContact CD1-CG1 4.27Å; L390-V426 HydrophobicContact CD2-CG1 3.64Å; L390-V426 HydrophobicContact CG-CG1 3.95Å
427I94.9Very high91.2Very high49 Ų4933.6 Ų33.625%0.25115%0.154SC..EExtended strand (participates in β ladder)trans-93.8128.1166.2-62.8174.4000107.4P195 V196 Y197 H351P195-I427 HydrophobicContact CB-CG2 3.53Å; V196-I427 WeakPolarHBondContact O-CA 3.46Å; Y197-I427 HydrophobicContact CD1-CG1 3.88Å; Y197-I427 HydrophobicContact CE1-CD1 3.99Å; Y197-I427 HydrophobicContact CE1-CG1 3.87Å; H351-I427 VanDerWaalsContact C-CG2 3.5Å; H351-I427 PolarHBondContact ND1-O 2.97Å; H351-I427 WeakPolarHBondContact O-CB 3.2Å; H351-I427 WeakPolarHBondContact O-CG2 3.32Å
428R93.9Very high91.1Very high24 Ų2439.2 Ų39.29%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-140.1135.4-178.1171.1172.8176.8-92-1.4109.9V196 W198 C350 L368 V370 S430V196-R428 PolarHBondContact N-O 2.86Å; V196-R428 PolarHBondContact O-N 2.89Å; W198-R428 HydrophobicContact CB-CB 4.19Å; C350-R428 CarbonylContact O-C 3.53Å; C350-R428 WeakPolarHBondContact O-CA 3.38Å; L368-R428 HydrophobicContact CD1-CG 3.96Å; V370-R428 PolarHBondContact O-NE 3.04Å; R428-S430 PolarHBondContact O-N 2.75Å
429L93.9Very high91.3Very high16 Ų1644.4 Ų44.48%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-60.8121.4168.8-172.667.7000109.3P195 C350 F356 L366 L368P195-L429 HydrophobicContact CG-CD1 4.48Å; C350-L429 HydrophobicContact CB-CB 3.97Å; C350-L429 PolarHBondContact O-N 3.2Å; F356-L429 HydrophobicContact CD2-CD1 3.86Å; F356-L429 HydrophobicContact CE2-CD1 3.53Å; F356-L429 HydrophobicContact CZ-CD1 4.36Å; L366-L429 HydrophobicContact CB-CD2 4.02Å; L366-L429 HydrophobicContact CD1-CD2 4.05Å; L368-L429 WeakPolarHBondContact CD2-O 3.29Å
430S91.6Very high92.1Very high10 Ų1041.1 Ų41.17%0.0719%0.192CC..EExtended strand (participates in β ladder)trans-142.3139.4180-166.80000110.6S193 L194 R428 Q432S193-S430 WeakPolarHBondContact CA-O 3.5Å; L194-S430 PolarHBondContact N-O 2.93Å; L194-S430 VanDerWaalsContact N-O 3.15Å; L194-S430 PolarHBondContact O-N 3.47Å; R428-S430 PolarHBondContact O-N 2.75Å; S430-Q432 PolarHBondContact O-N 3.38Å; S430-Q432 PolarHBondContact OG-NE2 3.17Å
431S91.6Very high92.9Very high55 Ų5537.9 Ų37.939%0.38518%0.184SC..EExtended strand (participates in β ladder)trans-79.7106.9174.3-63.80000109.4R191 G192 S193R191-S431 PolarHBondContact NH2-O 2.95Å; G192-S431 WeakPolarHBondContact O-CA 3.3Å; S193-S431 PolarHBondContact OG-OG 3.48Å
432Q94.2Very high93.4Very high4 Ų441.5 Ų41.52%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-133.3169.8-172.5-61.9-66.4-35.800110.8R191 G192 V196 S430 F434 S475 Q477R191-Q432 WeakPolarHBondContact CA-O 3.41Å; R191-Q432 WeakPolarHBondContact CG-O 3.34Å; G192-Q432 PolarHBondContact N-O 3.17Å; G192-Q432 PolarHBondContact O-N 3.48Å; V196-Q432 HydrophobicContact CG1-CG 4.45Å; S430-Q432 PolarHBondContact O-N 3.38Å; S430-Q432 PolarHBondContact OG-NE2 3.17Å; Q432-F434 HydrophobicContact CB-CD2 4.36Å; Q432-F434 HydrophobicContact CB-CE2 3.53Å; Q432-F434 HydrophobicContact CB-CZ 3.62Å; Q432-F434 HydrophobicContact CG-CZ 4.39Å; Q432-F434 WeakPolarHBondContact O-CD2 3.26Å; Q432-F434 WeakPolarHBondContact O-CE2 3.32Å; Q432-S475 WeakPolarHBondContact CB-OG 3.4Å; Q432-S475 PolarHBondContact OE1-OG 2.95Å; Q432-Q477 VanDerWaalsContact CD-NE2 3.3Å
433W95.8Very high93.9Very high0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-92.4135.1169.9-66.694.4000110.8F180 H184 I189 R191 C473 I474 S475 I484 V486 P495 I497 E546F180-W433 HydrophobicContact CE2-CD2 4.32Å; F180-W433 HydrophobicContact CE2-CE3 4.08Å; F180-W433 HydrophobicContact CE2-CZ3 4.45Å; F180-W433 HydrophobicContact CZ-CD2 4.29Å; F180-W433 HydrophobicContact CZ-CE3 4.02Å; F180-W433 HydrophobicContact CZ-CH2 4.23Å; F180-W433 HydrophobicContact CZ-CZ2 4.49Å; F180-W433 AromaticContact CZ-CZ3 3.97Å; F180-W433 HydrophobicContact CZ-CZ3 3.97Å; H184-W433 AromaticContact CD2-CZ3 3.95Å; I189-W433 HydrophobicContact CG2-CE3 3.73Å; I189-W433 HydrophobicContact CG2-CZ3 4.27Å; R191-W433 HydrophobicContact CB-CD2 4.2Å; R191-W433 HydrophobicContact CB-CE3 3.96Å; R191-W433 HydrophobicContact CB-CH2 4.09Å; R191-W433 HydrophobicContact CB-CZ2 4.31Å; R191-W433 HydrophobicContact CB-CZ3 3.92Å; R191-W433 HydrophobicContact CG-CD2 4.39Å; R191-W433 HydrophobicContact CG-CZ2 4.48Å; W433-C473 WeakPolarHBondContact O-CA 3.23Å; W433-I474 HydrophobicContact CB-CD1 4.24Å; W433-I474 HydrophobicContact CB-CG1 3.8Å; W433-I474 WeakPolarHBondContact O-CG1 3.29Å; W433-I474 PolarHBondContact O-N 2.82Å; W433-S475 PolarHBondContact N-OG 3.11Å; W433-I484 HydrophobicContact CB-CD1 4.36Å; W433-I484 HydrophobicContact CG-CD1 4.06Å; W433-V486 HydrophobicContact CH2-CG1 4.4Å; W433-V486 HydrophobicContact CH2-CG2 4.11Å; W433-V486 HydrophobicContact CZ2-CB 4.08Å; W433-V486 HydrophobicContact CZ2-CG1 3.87Å; W433-V486 HydrophobicContact CZ2-CG2 3.79Å; W433-P495 HydrophobicContact CH2-CB 4.31Å; W433-P495 HydrophobicContact CZ2-CB 4.25Å; W433-I497 HydrophobicContact CH2-CD1 3.98Å; W433-I497 HydrophobicContact CH2-CG1 3.66Å; W433-I497 HydrophobicContact CZ3-CG1 4.37Å; W433-E546 VanDerWaalsContact CD1-OE2 3.26Å; W433-E546 PolarHBondContact NE1-OE2 3.03Å; W433-E546 VanDerWaalsContact NE1-OE2 3.11Å
434F95.5Very high94.1Very high4 Ų435.4 Ų35.42%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-130.4143.2-177.4-61.7-90.2000111.5I189 F190 G192 L194 V196 Q432 N471 W472 C473I189-F434 VanDerWaalsContact CA-O 3.29Å; I189-F434 WeakPolarHBondContact CA-O 3.29Å; F190-F434 HydrophobicContact CD1-CB 4.23Å; F190-F434 HydrophobicContact CE1-CB 3.69Å; F190-F434 HydrophobicContact CE2-CB 4.21Å; F190-F434 HydrophobicContact CE2-CD2 4.1Å; F190-F434 HydrophobicContact CE2-CG 4.43Å; F190-F434 HydrophobicContact CZ-CB 3.68Å; F190-F434 HydrophobicContact CZ-CD2 4.27Å; F190-F434 HydrophobicContact CZ-CG 4.15Å; F190-F434 PolarHBondContact N-O 3.22Å; F190-F434 PolarHBondContact O-N 3.34Å; G192-F434 WeakPolarHBondContact O-CE2 3.44Å; L194-F434 HydrophobicContact CB-CE1 4.3Å; L194-F434 HydrophobicContact CB-CE2 4.15Å; L194-F434 HydrophobicContact CB-CZ 3.7Å; L194-F434 HydrophobicContact CD1-CD1 4.02Å; L194-F434 HydrophobicContact CD1-CD2 4.02Å; L194-F434 HydrophobicContact CD1-CE1 3.84Å; L194-F434 HydrophobicContact CD1-CE2 3.83Å; L194-F434 HydrophobicContact CD1-CG 4.12Å; L194-F434 HydrophobicContact CD1-CZ 3.75Å; L194-F434 HydrophobicContact CG-CE2 4.07Å; L194-F434 HydrophobicContact CG-CZ 4.05Å; V196-F434 HydrophobicContact CG1-CE1 4.01Å; V196-F434 HydrophobicContact CG1-CZ 3.81Å; Q432-F434 HydrophobicContact CB-CD2 4.36Å; Q432-F434 HydrophobicContact CB-CE2 3.53Å; Q432-F434 HydrophobicContact CB-CZ 3.62Å; Q432-F434 HydrophobicContact CG-CZ 4.39Å; Q432-F434 WeakPolarHBondContact O-CD2 3.26Å; Q432-F434 WeakPolarHBondContact O-CE2 3.32Å; F434-N471 HydrophobicContact CB-CB 4.2Å; F434-N471 HydrophobicContact CD1-CB 4.03Å; F434-N471 HydrophobicContact CG-CB 4.37Å; F434-W472 CarbonylContact C-O 3.56Å; F434-W472 VanDerWaalsContact CA-O 3.25Å; F434-W472 WeakPolarHBondContact CA-O 3.48Å; F434-C473 HydrophobicContact CD1-CB 3.96Å; F434-C473 HydrophobicContact CE1-CB 3.65Å; F434-C473 HydrophobicContact CZ-CB 4.47Å
435V95.4Very high94.2Very high1 Ų136.2 Ų36.21%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-83.4126.2156.8175.60000108.1F188 I189 T437 L440 W472 I474 L597F188-V435 CarbonylContact O-C 3.49Å; F188-V435 WeakPolarHBondContact O-CA 3.38Å; I189-V435 HydrophobicContact CG1-CG2 4.05Å; V435-T437 PolarHBondContact O-N 3.43Å; V435-L440 HydrophobicContact CG1-CD1 3.69Å; V435-W472 HydrophobicContact CB-CB 4.28Å; V435-W472 HydrophobicContact CB-CE3 4.15Å; V435-W472 HydrophobicContact CG2-CE3 4.1Å; V435-W472 PolarHBondContact N-O 2.99Å; V435-W472 PolarHBondContact O-N 3.44Å; V435-I474 HydrophobicContact CG2-CD1 4.24Å; V435-I474 HydrophobicContact CG2-CG2 3.7Å; V435-L597 HydrophobicContact CG2-CD2 4.4Å
436D94.6Very high94.3Very high16 Ų1640 Ų409%0.08620%0.196CC..  trans-73.291.3177.8-168.5-29.6000110F188 F190 E438 K439 L440 N471F188-D436 PolarHBondContact O-N 2.64Å; F190-D436 HydrophobicContact CD1-CB 4.02Å; F190-D436 HydrophobicContact CE1-CB 3.89Å; D436-E438 VanDerWaalsContact C-N 3.29Å; D436-E438 PolarHBondContact OD1-N 3.28Å; D436-K439 HydrophobicContact CB-CB 4.46Å; D436-K439 HydrophobicContact CB-CD 4.31Å; D436-K439 PolarHBondContact OD1-N 2.94Å; D436-K439 VanDerWaalsContact OD1-N 3.11Å; D436-K439 WeakPolarHBondContact OD2-CD 3.16Å; D436-K439 WeakPolarHBondContact OD2-CE 3.41Å; D436-K439 WeakPolarHBondContact OD2-CG 3.14Å; D436-K439 IonicContact OD2-NZ 3.07Å; D436-K439 PolarHBondContact OD2-NZ 3.02Å; D436-L440 WeakPolarHBondContact O-CG 3.3Å; D436-N471 WeakPolarHBondContact CA-OD1 3.17Å
437T92.2Very high94.4Very high5 Ų541.6 Ų41.63%0.03120%0.204CC..Hα-helixtrans-72.7-27-176.7530000111.7V435 L440 S441 R469 P470 N471 W472 L596V435-T437 PolarHBondContact O-N 3.43Å; T437-L440 PolarHBondContact O-N 2.9Å; T437-S441 WeakPolarHBondContact O-CB 3.35Å; T437-S441 PolarHBondContact O-N 3.05Å; T437-R469 HydrophobicContact CG2-CG 4.23Å; T437-R469 PolarHBondContact OG1-O 3.14Å; T437-P470 VanDerWaalsContact OG1-C 3.23Å; T437-P470 PolarHBondContact OG1-O 3.41Å; T437-N471 PolarHBondContact N-OD1 3.37Å; T437-N471 VanDerWaalsContact N-OD1 3.13Å; T437-N471 WeakPolarHBondContact OG1-CA 3.23Å; T437-N471 PolarHBondContact OG1-N 2.86Å; T437-N471 PolarHBondContact OG1-OD1 3.33Å; T437-W472 HydrophobicContact CG2-CB 4.04Å; T437-L596 HydrophobicContact CG2-CD1 4.38Å
438E90.9Very high94.5Very high155 Ų15539.4 Ų39.472%0.72419%0.192SC*.Hα-helixtrans-62.2-49.2178.7-169.6177.3175.700110.4D436 L440 S441D436-E438 VanDerWaalsContact C-N 3.29Å; D436-E438 PolarHBondContact OD1-N 3.28Å; E438-L440 PolarHBondContact O-N 3.44Å; E438-S441 PolarHBondContact O-N 2.88Å; E438-S441 PolarHBondContact O-OG 3.02Å
439K93.5Very high94.6Very high109 Ų10944.5 Ų44.547%0.47422%0.215SC..Hα-helixtrans-61.3-28.7175.8-74.4-178.1-172.3135.10114G187 F188 D436 F443G187-K439 PolarHBondContact O-NZ 2.97Å; F188-K439 HydrophobicContact CD1-CB 4.38Å; F188-K439 HydrophobicContact CE1-CB 4.4Å; D436-K439 HydrophobicContact CB-CB 4.46Å; D436-K439 HydrophobicContact CB-CD 4.31Å; D436-K439 PolarHBondContact OD1-N 2.94Å; D436-K439 VanDerWaalsContact OD1-N 3.11Å; D436-K439 WeakPolarHBondContact OD2-CD 3.16Å; D436-K439 WeakPolarHBondContact OD2-CE 3.41Å; D436-K439 WeakPolarHBondContact OD2-CG 3.14Å; D436-K439 IonicContact OD2-NZ 3.07Å; D436-K439 PolarHBondContact OD2-NZ 3.02Å; K439-F443 WeakPolarHBondContact O-CD2 3.33Å; K439-F443 WeakPolarHBondContact O-CE2 3.5Å
440L94.5Very high94.8Very high1 Ų151 Ų511%0.00524%0.243CC..Hα-helixtrans-92.5-25.3-175.5-67.7172.8000113.5F188 V435 D436 T437 E438 H442 F443 A444 L596 I599 A600F188-L440 HydrophobicContact CD1-CD1 4.48Å; F188-L440 HydrophobicContact CD1-CD2 3.55Å; F188-L440 HydrophobicContact CD1-CG 3.92Å; F188-L440 HydrophobicContact CE1-CD2 3.46Å; F188-L440 VanDerWaalsContact CE1-CD2 3.46Å; F188-L440 HydrophobicContact CE1-CG 4.2Å; F188-L440 HydrophobicContact CG-CD2 4.15Å; F188-L440 HydrophobicContact CZ-CD2 3.98Å; V435-L440 HydrophobicContact CG1-CD1 3.69Å; D436-L440 WeakPolarHBondContact O-CG 3.3Å; T437-L440 PolarHBondContact O-N 2.9Å; E438-L440 PolarHBondContact O-N 3.44Å; L440-H442 PolarHBondContact O-N 3.43Å; L440-F443 PolarHBondContact O-N 3.46Å; L440-A444 WeakPolarHBondContact O-CB 3.3Å; L440-A444 PolarHBondContact O-N 3.18Å; L440-L596 HydrophobicContact CB-CD2 4.16Å; L440-I599 HydrophobicContact CD2-CG2 4.37Å; L440-A600 HydrophobicContact CD1-CB 3.99Å; L440-A600 HydrophobicContact CD2-CB 3.66Å; L440-A600 HydrophobicContact CG-CB 4.49Å
441S93.3Very high95.1Very high29 Ų2950.8 Ų50.820%0.20324%0.241CC..Hα-helixtrans-51.7-49.6-169.762.90000113.3T437 E438 A444 L445T437-S441 WeakPolarHBondContact O-CB 3.35Å; T437-S441 PolarHBondContact O-N 3.05Å; E438-S441 PolarHBondContact O-N 2.88Å; E438-S441 PolarHBondContact O-OG 3.02Å; S441-A444 PolarHBondContact O-N 3.45Å; S441-L445 WeakPolarHBondContact O-CB 3.39Å; S441-L445 VanDerWaalsContact O-CG 3.26Å; S441-L445 WeakPolarHBondContact O-CG 3.29Å; S441-L445 PolarHBondContact O-N 2.92Å
442H94.8Very high95.3Very high110 Ų11052 Ų5251%0.50924%0.243SC..Hα-helixtrans-61.8-50.7-179.1-179.965.2000112.1L440 A444 L445 E446L440-H442 PolarHBondContact O-N 3.43Å; H442-A444 VanDerWaalsContact C-N 3.35Å; H442-A444 PolarHBondContact O-N 3.44Å; H442-L445 PolarHBondContact O-N 3.22Å; H442-E446 PolarHBondContact O-N 3.12Å
443F95.5Very high95.5Very high125 Ų12552 Ų5255%0.54824%0.243SC..Hα-helixtrans-63.4-41.5179.7-58.1-70.2000111.9K439 L440 L445 E446 E447 I599K439-F443 WeakPolarHBondContact O-CD2 3.33Å; K439-F443 WeakPolarHBondContact O-CE2 3.5Å; L440-F443 PolarHBondContact O-N 3.46Å; F443-L445 PolarHBondContact O-N 2.86Å; F443-E446 PolarHBondContact O-N 3.44Å; F443-E447 WeakPolarHBondContact O-CB 3.36Å; F443-E447 PolarHBondContact O-N 3.28Å; F443-I599 HydrophobicContact CB-CG2 3.66Å
444A96.2Very high95.5Very high0 Ų053.4 Ų53.40%025%0.251CS..Hα-helixtrans-64.9-38.3177.600000112.1L440 S441 H442 Y448 I466 L595 L596 I599L440-A444 WeakPolarHBondContact O-CB 3.3Å; L440-A444 PolarHBondContact O-N 3.18Å; S441-A444 PolarHBondContact O-N 3.45Å; H442-A444 VanDerWaalsContact C-N 3.35Å; H442-A444 PolarHBondContact O-N 3.44Å; A444-Y448 WeakPolarHBondContact O-CB 3.42Å; A444-Y448 PolarHBondContact O-N 2.65Å; A444-I466 HydrophobicContact CB-CG2 3.59Å; A444-L595 HydrophobicContact CB-CD2 4.46Å; A444-L596 HydrophobicContact CB-CD2 4.02Å; A444-I599 HydrophobicContact CB-CG1 4.33Å
445L96.5Very high95.5Very high45 Ų4555 Ų5524%0.23626%0.262CS..Hα-helixtrans-65-46.6174.5-74.5171.3000112S441 H442 F443 E447 Y448 K449 L463 I466S441-L445 WeakPolarHBondContact O-CB 3.39Å; S441-L445 VanDerWaalsContact O-CG 3.26Å; S441-L445 WeakPolarHBondContact O-CG 3.29Å; S441-L445 PolarHBondContact O-N 2.92Å; H442-L445 PolarHBondContact O-N 3.22Å; F443-L445 PolarHBondContact O-N 2.86Å; L445-E447 PolarHBondContact O-N 2.73Å; L445-Y448 PolarHBondContact O-N 3.39Å; L445-K449 WeakPolarHBondContact O-CG 3.45Å; L445-K449 PolarHBondContact O-N 3.32Å; L445-K449 VanDerWaalsContact O-N 3.08Å; L445-L463 HydrophobicContact CD2-CD2 3.85Å; L445-I466 HydrophobicContact CD2-CB 4.11Å; L445-I466 HydrophobicContact CD2-CD1 4.37Å; L445-I466 HydrophobicContact CD2-CG2 3.96Å; L445-I466 HydrophobicContact CG-CB 4.46Å; L445-I466 HydrophobicContact CG-CG2 3.78Å
446E96.6Very high95.4Very high80 Ų8058.5 Ų58.537%0.37429%0.291SS..Hα-helixtrans-62.2-42.9179.7-71.1-51.2135.300112.1H442 F443 K449H442-E446 PolarHBondContact O-N 3.12Å; F443-E446 PolarHBondContact O-N 3.44Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 IonicContact OE1-NZ 2.57Å; E446-K449 PolarHBondContact OE1-NZ 3.47Å; E446-K449 IonicContact OE2-NZ 2.95Å; E446-K449 PolarHBondContact OE2-NZ 3.13Å
447E96.4Very high95.4Very high36 Ų3662 Ų6217%0.16832%0.316CS..Hα-helixtrans-72.9-38.6178.1-168.162.8-168.600111.8F443 L445 K449 K450 I599 A605F443-E447 WeakPolarHBondContact O-CB 3.36Å; F443-E447 PolarHBondContact O-N 3.28Å; L445-E447 PolarHBondContact O-N 2.73Å; E447-K449 PolarHBondContact O-N 3.22Å; E447-K450 WeakPolarHBondContact O-CB 3.4Å; E447-K450 PolarHBondContact O-N 2.64Å; E447-K450 WeakPolarHBondContact OE2-CD 3.46Å; E447-K450 WeakPolarHBondContact OE2-CE 3.49Å; E447-K450 IonicContact OE2-NZ 2.79Å; E447-K450 PolarHBondContact OE2-NZ 2.9Å; E447-I599 HydrophobicContact CB-CD1 3.42Å; E447-I599 VanDerWaalsContact CB-CD1 3.42Å; E447-I599 HydrophobicContact CG-CD1 3.57Å; E447-A605 HydrophobicContact CG-CB 3.77Å; E447-A605 VanDerWaalsContact CG-N 3.27Å
448Y97.3Very high95.6Very high2 Ų263.1 Ų63.11%0.00832%0.321CS..Hα-helixtrans-59.7-33.7176.2-176-113.4000111.7A444 L445 K450 V451 V453 K459 M462 L463 I466 L595 L610A444-Y448 WeakPolarHBondContact O-CB 3.42Å; A444-Y448 PolarHBondContact O-N 2.65Å; L445-Y448 PolarHBondContact O-N 3.39Å; Y448-K450 PolarHBondContact O-N 3.12Å; Y448-K450 VanDerWaalsContact O-N 3.12Å; Y448-V451 HydrophobicContact CD2-CB 4.15Å; Y448-V451 HydrophobicContact CD2-CG2 4.22Å; Y448-V451 HydrophobicContact CE2-CB 4.39Å; Y448-V451 HydrophobicContact CE2-CG1 4.42Å; Y448-V451 WeakPolarHBondContact O-CB 3.44Å; Y448-V451 PolarHBondContact O-N 2.81Å; Y448-V453 HydrophobicContact CE2-CG2 4.39Å; Y448-V453 WeakPolarHBondContact OH-CG2 3.31Å; Y448-K459 HydrophobicContact CE1-CD 3.91Å; Y448-K459 WeakPolarHBondContact CE1-O 3.03Å; Y448-K459 PolarHBondContact O-NZ 3.24Å; Y448-K459 PolarHBondContact OH-O 3.27Å; Y448-M462 HydrophobicContact CD1-CB 4.38Å; Y448-M462 HydrophobicContact CD2-CG 4.32Å; Y448-M462 HydrophobicContact CE1-CB 3.61Å; Y448-M462 HydrophobicContact CE1-CG 4.14Å; Y448-M462 HydrophobicContact CE2-CB 3.99Å; Y448-M462 HydrophobicContact CE2-CE 4.15Å; Y448-M462 HydrophobicContact CE2-CG 3.94Å; Y448-M462 VanDerWaalsContact OH-CB 3.29Å; Y448-M462 WeakPolarHBondContact OH-CB 3.43Å; Y448-L463 HydrophobicContact CD1-CD2 4.17Å; Y448-L463 HydrophobicContact CE1-CD2 4.28Å; Y448-I466 HydrophobicContact CD1-CD1 4.28Å; Y448-I466 HydrophobicContact CG-CD1 4.12Å; Y448-L595 HydrophobicContact CD2-CD2 4.11Å; Y448-L595 HydrophobicContact CG-CD2 4.36Å; Y448-L610 HydrophobicContact CE2-CD1 3.97Å
449K96.5Very high95.8Very high132 Ų13257.9 Ų57.957%0.57430%0.296SS*.Hα-helixtrans-53.5-33.1174.4-72.1170.3-168.8170.90113L445 E446 E447 V451L445-K449 WeakPolarHBondContact O-CG 3.45Å; L445-K449 PolarHBondContact O-N 3.32Å; L445-K449 VanDerWaalsContact O-N 3.08Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 IonicContact OE1-NZ 2.57Å; E446-K449 PolarHBondContact OE1-NZ 3.47Å; E446-K449 IonicContact OE2-NZ 2.95Å; E446-K449 PolarHBondContact OE2-NZ 3.13Å; E447-K449 PolarHBondContact O-N 3.22Å; K449-V451 VanDerWaalsContact C-N 3.35Å
450K97Very high95.8Very high151 Ų15159.1 Ų59.166%0.65730%0.303SS*.Hα-helixtrans-76.8-20.8-179.4-53.9175.4-167.91640113.2E447 Y448E447-K450 WeakPolarHBondContact O-CB 3.4Å; E447-K450 PolarHBondContact O-N 2.64Å; E447-K450 WeakPolarHBondContact OE2-CD 3.46Å; E447-K450 WeakPolarHBondContact OE2-CE 3.49Å; E447-K450 IonicContact OE2-NZ 2.79Å; E447-K450 PolarHBondContact OE2-NZ 2.9Å; Y448-K450 PolarHBondContact O-N 3.12Å; Y448-K450 VanDerWaalsContact O-N 3.12Å
451V97.9Very high95.8Very high7 Ų760.6 Ų60.64%0.04231%0.314CS..SBendtrans-71.4128.9179.6176.70000110.4Y448 K449 V453 K459 A605 F607 L610Y448-V451 HydrophobicContact CD2-CB 4.15Å; Y448-V451 HydrophobicContact CD2-CG2 4.22Å; Y448-V451 HydrophobicContact CE2-CB 4.39Å; Y448-V451 HydrophobicContact CE2-CG1 4.42Å; Y448-V451 WeakPolarHBondContact O-CB 3.44Å; Y448-V451 PolarHBondContact O-N 2.81Å; K449-V451 VanDerWaalsContact C-N 3.35Å; V451-V453 HydrophobicContact CG1-CG2 4.45Å; V451-K459 PolarHBondContact O-NZ 3.11Å; V451-A605 HydrophobicContact CG2-CB 3.88Å; V451-F607 HydrophobicContact CB-CD2 4.5Å; V451-F607 HydrophobicContact CB-CE2 4.43Å; V451-F607 HydrophobicContact CG1-CD2 3.65Å; V451-F607 HydrophobicContact CG1-CE2 3.76Å; V451-F607 HydrophobicContact CG2-CD2 3.99Å; V451-F607 HydrophobicContact CG2-CE2 3.9Å; V451-L610 HydrophobicContact CG1-CD1 4.37Å; V451-L610 HydrophobicContact CG1-CG 3.96Å
452N97.8Very high95.8Very high79 Ų7959.2 Ų59.242%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-81.1133171.9179.638.7000110.6K608 N609 L610N452-K608 PolarHBondContact N-O 2.96Å; N452-N609 WeakPolarHBondContact CB-OD1 3.29Å; N452-N609 PolarHBondContact ND2-OD1 2.8Å; N452-N609 CarbonylContact O-C 3.52Å; N452-N609 VanDerWaalsContact O-CA 3.28Å; N452-N609 WeakPolarHBondContact O-CA 3.39Å; N452-L610 PolarHBondContact O-N 2.75Å
453V97.4Very high95.7Very high4 Ų456.9 Ų56.92%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-118.3129.4179.7-177.50000109.3Y448 V451 P455 A456 H458 K459 F587 L610 I612Y448-V453 HydrophobicContact CE2-CG2 4.39Å; Y448-V453 WeakPolarHBondContact OH-CG2 3.31Å; V451-V453 HydrophobicContact CG1-CG2 4.45Å; V453-P455 CarbonylContact O-C 3.58Å; V453-P455 VanDerWaalsContact O-C 3.29Å; V453-A456 WeakPolarHBondContact O-CA 3.27Å; V453-A456 PolarHBondContact O-N 2.82Å; V453-A456 VanDerWaalsContact O-N 3.16Å; V453-H458 HydrophobicContact CG1-CB 4.09Å; V453-K459 HydrophobicContact CB-CB 4.39Å; V453-K459 HydrophobicContact CB-CD 4.02Å; V453-K459 HydrophobicContact CG2-CD 3.43Å; V453-K459 VanDerWaalsContact CG2-CD 3.43Å; V453-F587 HydrophobicContact CG1-CZ 4.29Å; V453-L610 CarbonylContact C-O 3.33Å; V453-L610 WeakPolarHBondContact CA-O 3.45Å; V453-L610 HydrophobicContact CG1-CB 4.49Å; V453-L610 HydrophobicContact CG2-CB 4.27Å; V453-L610 HydrophobicContact CG2-CD1 4.39Å; V453-I612 HydrophobicContact CG1-CG1 4.11Å
454I96.1Very high95.4Very high31 Ų3153.7 Ų53.716%0.15929%0.286CS..EExtended strand (participates in β ladder)trans-125.1118.1-176.2-54.6175.2000108.3L610 V611 I612 L657 F755I454-L610 PolarHBondContact N-O 2.78Å; I454-V611 HydrophobicContact CB-CG2 4.35Å; I454-V611 HydrophobicContact CD1-CG2 4.35Å; I454-V611 CarbonylContact O-C 3.55Å; I454-V611 WeakPolarHBondContact O-CA 3.38Å; I454-I612 PolarHBondContact O-N 3.01Å; I454-L657 HydrophobicContact CG2-CD1 3.84Å; I454-F755 HydrophobicContact CD1-CE2 4.16Å; I454-F755 HydrophobicContact CG2-CD2 4.04Å; I454-F755 HydrophobicContact CG2-CE2 4.38Å
455P94.6Very high95Very high38 Ų3856.6 Ų56.625%0.24730%0.299CS..SBendcis-65.8148.7-6.6-20.831.9000114V453 S457 H458 I612 L657V453-P455 CarbonylContact O-C 3.58Å; V453-P455 VanDerWaalsContact O-C 3.29Å; P455-S457 PolarHBondContact O-N 2.88Å; P455-S457 VanDerWaalsContact O-N 3.11Å; P455-H458 PolarHBondContact O-N 3.04Å; P455-I612 WeakPolarHBondContact CD-O 3.42Å; P455-L657 HydrophobicContact CG-CB 4.18Å; P455-L657 HydrophobicContact CG-CD1 4.3Å
456A94.6Very high94.7Very high74 Ų7454.5 Ų54.561%0.61229%0.288SS*.G310 helixtrans-60.4-24.3-178.600000113.9V453 H458 K459V453-A456 WeakPolarHBondContact O-CA 3.27Å; V453-A456 PolarHBondContact O-N 2.82Å; V453-A456 VanDerWaalsContact O-N 3.16Å; A456-H458 PolarHBondContact O-N 3.13Å; A456-K459 VanDerWaalsContact O-CB 3.26Å; A456-K459 WeakPolarHBondContact O-CB 3.36Å; A456-K459 PolarHBondContact O-N 3.06Å; A456-K459 VanDerWaalsContact O-N 3.12Å
457S94.3Very high94.2Very high90 Ų9053.6 Ų53.663%0.62929%0.291SS*.G310 helixtrans-57.9-28.6174.950.80000113.2P455 K459P455-S457 PolarHBondContact O-N 2.88Å; P455-S457 VanDerWaalsContact O-N 3.11Å; S457-K459 VanDerWaalsContact C-N 3.3Å; S457-K459 PolarHBondContact O-N 3.06Å
458H95Very high93.6Very high27 Ų2759.1 Ų59.113%0.12532%0.317CS..G310 helixtrans-83.6-0.6-179.7-69.3-66.8000114.2V453 P455 A456 H460 S461 H584 F587 I612V453-H458 HydrophobicContact CG1-CB 4.09Å; P455-H458 PolarHBondContact O-N 3.04Å; A456-H458 PolarHBondContact O-N 3.13Å; H458-H460 PolarHBondContact O-N 2.66Å; H458-H460 VanDerWaalsContact O-N 3.14Å; H458-S461 VanDerWaalsContact O-CB 3.31Å; H458-S461 WeakPolarHBondContact O-CB 3.32Å; H458-S461 PolarHBondContact O-N 3.26Å; H458-S461 PolarHBondContact O-OG 3.29Å; H458-H584 AromaticContact CE1-CD2 3.52Å; H458-H584 AromaticContact CE1-NE2 3.94Å; H458-H584 AromaticContact ND1-CD2 3.26Å; H458-H584 PolarHBondContact ND1-CD2 2.63Å; H458-H584 VanDerWaalsContact ND1-CD2 3.26Å; H458-H584 AromaticContact ND1-NE2 3.46Å; H458-H584 PolarHBondContact ND1-NE2 3.35Å; H458-F587 HydrophobicContact CB-CE2 3.97Å; H458-F587 HydrophobicContact CB-CZ 3.93Å; H458-F587 WeakPolarHBondContact O-CZ 3.4Å; H458-I612 HydrophobicContact CB-CG1 4.29Å
459K95Very high92.9Very high46 Ų4660.9 Ų60.920%0.232%0.323CS..G310 helixtrans-55.1-35.2-179.1-175.562.7177.6175.10113Y448 V451 V453 A456 S457 S461Y448-K459 HydrophobicContact CE1-CD 3.91Å; Y448-K459 WeakPolarHBondContact CE1-O 3.03Å; Y448-K459 PolarHBondContact O-NZ 3.24Å; Y448-K459 PolarHBondContact OH-O 3.27Å; V451-K459 PolarHBondContact O-NZ 3.11Å; V453-K459 HydrophobicContact CB-CB 4.39Å; V453-K459 HydrophobicContact CB-CD 4.02Å; V453-K459 HydrophobicContact CG2-CD 3.43Å; V453-K459 VanDerWaalsContact CG2-CD 3.43Å; A456-K459 VanDerWaalsContact O-CB 3.26Å; A456-K459 WeakPolarHBondContact O-CB 3.36Å; A456-K459 PolarHBondContact O-N 3.06Å; A456-K459 VanDerWaalsContact O-N 3.12Å; S457-K459 VanDerWaalsContact C-N 3.3Å; S457-K459 PolarHBondContact O-N 3.06Å; K459-S461 VanDerWaalsContact C-N 3.34Å
460H94.9Very high92.3Very high135 Ų13556.8 Ų56.863%0.62531%0.31SS*.G310 helixtrans-79-16.3-178.5-58.292.7000113.3H458 M462 L463H458-H460 PolarHBondContact O-N 2.66Å; H458-H460 VanDerWaalsContact O-N 3.14Å; H460-M462 PolarHBondContact O-N 3.45Å; H460-L463 HydrophobicContact CB-CD1 4.28Å; H460-L463 PolarHBondContact O-N 3.2Å
461S93.8Very high91.9Very high32 Ų3251.8 Ų51.822%0.22429%0.291CS..G310 helixtrans-63.9-26.6-176.7-63.90000113.4H458 K459 F465 H584H458-S461 VanDerWaalsContact O-CB 3.31Å; H458-S461 WeakPolarHBondContact O-CB 3.32Å; H458-S461 PolarHBondContact O-N 3.26Å; H458-S461 PolarHBondContact O-OG 3.29Å; K459-S461 VanDerWaalsContact C-N 3.34Å; S461-F465 WeakPolarHBondContact O-CD2 3.12Å; S461-F465 VanDerWaalsContact O-CE2 3.31Å; S461-F465 WeakPolarHBondContact O-CE2 2.93Å; S461-H584 PolarHBondContact OG-NE2 2.87Å
462M92.8Very high91.6Very high0 Ų051.9 Ų51.90%029%0.29CS..G310 helixtrans-77.8-27.8178.3-168.768.282.600113Y448 H460 F465 I466 F587 F591 L610Y448-M462 HydrophobicContact CD1-CB 4.38Å; Y448-M462 HydrophobicContact CD2-CG 4.32Å; Y448-M462 HydrophobicContact CE1-CB 3.61Å; Y448-M462 HydrophobicContact CE1-CG 4.14Å; Y448-M462 HydrophobicContact CE2-CB 3.99Å; Y448-M462 HydrophobicContact CE2-CE 4.15Å; Y448-M462 HydrophobicContact CE2-CG 3.94Å; Y448-M462 VanDerWaalsContact OH-CB 3.29Å; Y448-M462 WeakPolarHBondContact OH-CB 3.43Å; H460-M462 PolarHBondContact O-N 3.45Å; M462-F465 PolarHBondContact O-N 3.49Å; M462-I466 HydrophobicContact CG-CD1 3.56Å; M462-I466 HydrophobicContact CG-CG1 3.97Å; M462-I466 PolarHBondContact O-N 3.4Å; M462-F587 HydrophobicContact CB-CD1 3.69Å; M462-F587 HydrophobicContact CB-CE1 3.98Å; M462-F587 HydrophobicContact CE-CD1 3.48Å; M462-F587 VanDerWaalsContact CE-CD1 3.48Å; M462-F587 HydrophobicContact CE-CE1 3.93Å; M462-F587 HydrophobicContact CG-CD1 4.33Å; M462-F587 HydrophobicContact SD-CD1 3.82Å; M462-F591 HydrophobicContact CE-CB 3.28Å; M462-F591 HydrophobicContact CE-CD2 4.34Å; M462-F591 HydrophobicContact CE-CG 4.25Å; M462-F591 HydrophobicContact SD-CB 4.41Å; M462-L610 HydrophobicContact CE-CD1 3.88Å
463L93.1Very high91.4Very high60 Ų6048.8 Ų48.831%0.31428%0.275SS..THydrogen-bonded Turntrans-57.7-45.9-164.5-59.3177.5000113.6L445 Y448 H460 F465 I466 S467L445-L463 HydrophobicContact CD2-CD2 3.85Å; Y448-L463 HydrophobicContact CD1-CD2 4.17Å; Y448-L463 HydrophobicContact CE1-CD2 4.28Å; H460-L463 HydrophobicContact CB-CD1 4.28Å; H460-L463 PolarHBondContact O-N 3.2Å; L463-F465 PolarHBondContact O-N 2.97Å; L463-I466 PolarHBondContact O-N 3.13Å; L463-S467 PolarHBondContact O-N 2.96Å; L463-S467 PolarHBondContact O-OG 2.78Å; L463-S467 VanDerWaalsContact O-OG 3.06Å
464P89.7Confident91.3Very high58 Ų5848.6 Ų48.638%0.37727%0.273SS..Hα-helixtrans-59.6-33.4178.7-23.235.1000113I466 Q468 R469P464-I466 PolarHBondContact O-N 3.32Å; P464-Q468 PolarHBondContact O-N 2.84Å; P464-Q468 VanDerWaalsContact O-N 3.15Å; P464-R469 PolarHBondContact O-N 3.15Å
465F88.2Confident91.2Very high61 Ų6147.1 Ų47.127%0.26827%0.266SS..Hα-helixtrans-79.4-0.3-179.9-51.7-62.2000113.9S461 M462 L463 R469 F587 R588S461-F465 WeakPolarHBondContact O-CD2 3.12Å; S461-F465 VanDerWaalsContact O-CE2 3.31Å; S461-F465 WeakPolarHBondContact O-CE2 2.93Å; M462-F465 PolarHBondContact O-N 3.49Å; L463-F465 PolarHBondContact O-N 2.97Å; F465-R469 WeakPolarHBondContact O-CB 3.33Å; F465-R469 VanDerWaalsContact O-CD 3.26Å; F465-R469 WeakPolarHBondContact O-CD 3.29Å; F465-F587 HydrophobicContact CD2-CB 4.17Å; F465-F587 WeakPolarHBondContact CD2-O 3.18Å; F465-F587 HydrophobicContact CE2-CB 4.11Å; F465-R588 HydrophobicContact CD1-CB 4.24Å; F465-R588 HydrophobicContact CD1-CG 3.98Å; F465-R588 HydrophobicContact CE1-CB 3.8Å; F465-R588 HydrophobicContact CE1-CG 3.54Å; F465-R588 HydrophobicContact CE2-CB 4.1Å; F465-R588 HydrophobicContact CZ-CB 3.72Å; F465-R588 HydrophobicContact CZ-CG 3.96Å
466I89.4Confident91.1Very high2 Ų245.9 Ų45.91%0.0126%0.256CS..Hα-helixtrans-112.6-52.2171.2-56170.6000110.1A444 L445 Y448 M462 L463 P464 L595A444-I466 HydrophobicContact CB-CG2 3.59Å; L445-I466 HydrophobicContact CD2-CB 4.11Å; L445-I466 HydrophobicContact CD2-CD1 4.37Å; L445-I466 HydrophobicContact CD2-CG2 3.96Å; L445-I466 HydrophobicContact CG-CB 4.46Å; L445-I466 HydrophobicContact CG-CG2 3.78Å; Y448-I466 HydrophobicContact CD1-CD1 4.28Å; Y448-I466 HydrophobicContact CG-CD1 4.12Å; M462-I466 HydrophobicContact CG-CD1 3.56Å; M462-I466 HydrophobicContact CG-CG1 3.97Å; M462-I466 PolarHBondContact O-N 3.4Å; L463-I466 PolarHBondContact O-N 3.13Å; P464-I466 PolarHBondContact O-N 3.32Å; I466-L595 HydrophobicContact CD1-CD2 3.51Å; I466-L595 HydrophobicContact CG1-CD2 4.18Å
467S86.7Confident90.9Very high61 Ų6144.3 Ų44.343%0.42724%0.236SC..Hα-helixtrans-85-26-168.964.20000114.6L463L463-S467 PolarHBondContact O-N 2.96Å; L463-S467 PolarHBondContact O-OG 2.78Å; L463-S467 VanDerWaalsContact O-OG 3.06Å
468Q83.5Confident90.6Very high151 Ų15141.7 Ų41.771%0.70621%0.212SC*.SBendtrans-116.93.4-176.1-65.9171.72.700112.2P464 P470P464-Q468 PolarHBondContact O-N 2.84Å; P464-Q468 VanDerWaalsContact O-N 3.15Å; Q468-P470 WeakPolarHBondContact O-CD 3.44Å
469R83.2Confident90.4Very high39 Ų3941 Ų4115%0.14721%0.211CC..PPolyproline II helixtrans-69.7121.8-176.4-171.9176.7179.1145.8-2109.9T437 P464 F465 S592T437-R469 HydrophobicContact CG2-CG 4.23Å; T437-R469 PolarHBondContact OG1-O 3.14Å; P464-R469 PolarHBondContact O-N 3.15Å; F465-R469 WeakPolarHBondContact O-CB 3.33Å; F465-R469 VanDerWaalsContact O-CD 3.26Å; F465-R469 WeakPolarHBondContact O-CD 3.29Å; R469-S592 PolarHBondContact NH1-OG 3.34Å
470P82.5Confident90.4Very high46 Ų4639.1 Ų39.130%0.29920%0.203SC..PPolyproline II helixtrans-58.4162.1169.2-20.232000111.4T437 Q468 W472T437-P470 VanDerWaalsContact OG1-C 3.23Å; T437-P470 PolarHBondContact OG1-O 3.41Å; Q468-P470 WeakPolarHBondContact O-CD 3.44Å; P470-W472 PolarHBondContact O-N 2.65Å; P470-W472 VanDerWaalsContact O-N 3.16Å
471N89.9Confident90.4Very high47 Ų4732.7 Ų32.725%0.25117%0.174SC..PPolyproline II helixtrans-49126.9172.9-75.3-31.7000110.3F190 L194 F434 D436 T437 C473F190-N471 HydrophobicContact CZ-CB 4.35Å; L194-N471 HydrophobicContact CD1-CB 4.31Å; F434-N471 HydrophobicContact CB-CB 4.2Å; F434-N471 HydrophobicContact CD1-CB 4.03Å; F434-N471 HydrophobicContact CG-CB 4.37Å; D436-N471 WeakPolarHBondContact CA-OD1 3.17Å; T437-N471 PolarHBondContact N-OD1 3.37Å; T437-N471 VanDerWaalsContact N-OD1 3.13Å; T437-N471 WeakPolarHBondContact OG1-CA 3.23Å; T437-N471 PolarHBondContact OG1-N 2.86Å; T437-N471 PolarHBondContact OG1-OD1 3.33Å; N471-C473 PolarHBondContact O-N 3.24Å
472W91.6Very high90.5Very high9 Ų931.2 Ų31.23%0.03416%0.163CC..EExtended strand (participates in β ladder)trans-83.8109.4-168.6170.421.6000109.5F434 V435 T437 P470 I474 D549 W551 F552 A593 L597F434-W472 CarbonylContact C-O 3.56Å; F434-W472 VanDerWaalsContact CA-O 3.25Å; F434-W472 WeakPolarHBondContact CA-O 3.48Å; V435-W472 HydrophobicContact CB-CB 4.28Å; V435-W472 HydrophobicContact CB-CE3 4.15Å; V435-W472 HydrophobicContact CG2-CE3 4.1Å; V435-W472 PolarHBondContact N-O 2.99Å; V435-W472 PolarHBondContact O-N 3.44Å; T437-W472 HydrophobicContact CG2-CB 4.04Å; P470-W472 PolarHBondContact O-N 2.65Å; P470-W472 VanDerWaalsContact O-N 3.16Å; W472-I474 HydrophobicContact CD2-CG2 3.83Å; W472-I474 HydrophobicContact CE3-CG2 4.29Å; W472-I474 HydrophobicContact CG-CG2 4.14Å; W472-I474 HydrophobicContact CZ2-CG2 4.1Å; W472-I474 PolarHBondContact O-N 3.35Å; W472-D549 PolarHBondContact NE1-OD2 3.06Å; W472-W551 HydrophobicContact CH2-CB 4.35Å; W472-W551 HydrophobicContact CZ2-CB 3.62Å; W472-F552 HydrophobicContact CH2-CB 4.34Å; W472-F552 HydrophobicContact CH2-CD2 4.36Å; W472-F552 HydrophobicContact CZ2-CB 4.24Å; W472-A593 HydrophobicContact CH2-CB 3.72Å; W472-A593 HydrophobicContact CZ2-CB 4.37Å; W472-A593 HydrophobicContact CZ3-CB 4.19Å; W472-L597 HydrophobicContact CH2-CD1 3.91Å; W472-L597 HydrophobicContact CH2-CG 4.34Å; W472-L597 HydrophobicContact CZ3-CD1 4Å; W472-L597 HydrophobicContact CZ3-CD2 4.02Å; W472-L597 HydrophobicContact CZ3-CG 3.9Å
473C92.8Very high90.7Very high13 Ų1331.2 Ų31.29%0.08816%0.163CC..EExtended strand (participates in β ladder)trans-66.4110.8174.7-174.40000110.5W433 F434 N471 R476W433-C473 WeakPolarHBondContact O-CA 3.23Å; F434-C473 HydrophobicContact CD1-CB 3.96Å; F434-C473 HydrophobicContact CE1-CB 3.65Å; F434-C473 HydrophobicContact CZ-CB 4.47Å; N471-C473 PolarHBondContact O-N 3.24Å; C473-R476 PolarHBondContact O-NH1 2.83Å; C473-R476 PolarHBondContact O-NH2 3.28Å
474I94.5Very high90.8Very high0 Ų028.4 Ų28.40%015%0.148CC..  trans-101.7-3.7-177.357.7165000113.6I189 W433 V435 W472 F548 D549 F552I189-I474 HydrophobicContact CD1-CD1 3.78Å; I189-I474 HydrophobicContact CG1-CD1 4.17Å; I189-I474 HydrophobicContact CG2-CD1 4.32Å; W433-I474 HydrophobicContact CB-CD1 4.24Å; W433-I474 HydrophobicContact CB-CG1 3.8Å; W433-I474 WeakPolarHBondContact O-CG1 3.29Å; W433-I474 PolarHBondContact O-N 2.82Å; V435-I474 HydrophobicContact CG2-CD1 4.24Å; V435-I474 HydrophobicContact CG2-CG2 3.7Å; W472-I474 HydrophobicContact CD2-CG2 3.83Å; W472-I474 HydrophobicContact CE3-CG2 4.29Å; W472-I474 HydrophobicContact CG-CG2 4.14Å; W472-I474 HydrophobicContact CZ2-CG2 4.1Å; W472-I474 PolarHBondContact O-N 3.35Å; I474-F548 HydrophobicContact CD1-CD1 4.43Å; I474-F548 HydrophobicContact CD1-CE1 4.25Å; I474-F548 CarbonylContact O-C 3.57Å; I474-F548 VanDerWaalsContact O-CA 3.32Å; I474-F548 WeakPolarHBondContact O-CA 3.37Å; I474-D549 PolarHBondContact O-N 2.72Å; I474-F552 HydrophobicContact CB-CD2 4.33Å; I474-F552 HydrophobicContact CD1-CD2 4.35Å; I474-F552 HydrophobicContact CD1-CE2 4.15Å; I474-F552 HydrophobicContact CG2-CD2 3.88Å
475S94.9Very high91.1Very high0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-99.6144176.248.20000112.5Q432 W433 V547Q432-S475 WeakPolarHBondContact CB-OG 3.4Å; Q432-S475 PolarHBondContact OE1-OG 2.95Å; W433-S475 PolarHBondContact N-OG 3.11Å; S475-V547 CarbonylContact C-O 3.53Å; S475-V547 WeakPolarHBondContact CA-O 3.48Å
476R92.2Very high91.5Very high13 Ų1322.8 Ų22.85%0.04912%0.118CC..EExtended strand (participates in β ladder)trans-133.8142.4176.5-61.8-66.8179.1-81.3-10.7110.2A205 E210 C473 R478 E546 V547 D549A205-R476 WeakPolarHBondContact O-CD 3.47Å; A205-R476 PolarHBondContact O-NE 3.21Å; E210-R476 IonicContact OE2-NE 3.97Å; E210-R476 IonicContact OE2-NH2 3.34Å; C473-R476 PolarHBondContact O-NH1 2.83Å; C473-R476 PolarHBondContact O-NH2 3.28Å; R476-R478 VanDerWaalsContact C-N 3.28Å; R476-R478 HydrophobicContact CB-CG 4.12Å; R476-R478 PolarHBondContact O-N 3.38Å; R476-R478 VanDerWaalsContact O-N 3.12Å; R476-E546 WeakPolarHBondContact O-CA 3.25Å; R476-V547 HydrophobicContact CB-CG2 4.05Å; R476-V547 PolarHBondContact N-O 3.18Å; R476-V547 PolarHBondContact O-N 2.93Å; R476-D549 IonicContact CZ-OD1 3.95Å; R476-D549 IonicContact NE-OD1 3.05Å; R476-D549 IonicContact NH2-OD1 2.65Å; R476-D549 PolarHBondContact NH2-OD1 3.49Å; R476-D549 IonicContact NH2-OD2 3.71Å; R476-D549 PolarHBondContact NH2-OD2 3.03Å
477Q91.2Very high91.9Very high40 Ų4022.7 Ų22.719%0.18712%0.118CC..  trans-90.563-178.7-6966.849.900109.9W198 R203 S204 Q432W198-Q477 HydrophobicContact CH2-CG 4.05Å; R203-Q477 WeakPolarHBondContact O-CB 3.39Å; S204-Q477 PolarHBondContact OG-N 2.59Å; Q432-Q477 VanDerWaalsContact CD-NE2 3.3Å
478R88.3Confident92.3Very high35 Ų3520 Ų2013%0.13210%0.099CC..  trans-132163.1-171.1-59.9-58.2-64.8-154.1-0.9111.6L115 E118 T202 R476 V547L115-R478 VanDerWaalsContact CD1-NH1 3.28Å; E118-R478 VanDerWaalsContact CD-NH2 3.34Å; E118-R478 IonicContact OE1-CZ 3.8Å; E118-R478 IonicContact OE1-NE 3.4Å; E118-R478 PolarHBondContact OE1-NE 2.86Å; E118-R478 IonicContact OE1-NH2 2.89Å; E118-R478 PolarHBondContact OE1-NH2 3.36Å; E118-R478 IonicContact OE2-NE 3.7Å; E118-R478 PolarHBondContact OE2-NE 2.82Å; E118-R478 IonicContact OE2-NH2 2.63Å; T202-R478 VanDerWaalsContact CB-NH1 3.26Å; T202-R478 PolarHBondContact O-NH1 3.02Å; R476-R478 VanDerWaalsContact C-N 3.28Å; R476-R478 HydrophobicContact CB-CG 4.12Å; R476-R478 PolarHBondContact O-N 3.38Å; R476-R478 VanDerWaalsContact O-N 3.12Å; R478-V547 HydrophobicContact CB-CG2 3.88Å; R478-V547 WeakPolarHBondContact O-CG1 3.43Å
479A90.3Very high92.9Very high12 Ų1215.5 Ų15.510%0.0998%0.075CC..SBendtrans-88.2-35.617700000112E118 P130 T133 R134E118-A479 PolarHBondContact OE2-N 2.89Å; P130-A479 HydrophobicContact CB-CB 3.95Å; T133-A479 HydrophobicContact CG2-CB 4.03Å; R134-A479 WeakPolarHBondContact CD-O 3.48Å; R134-A479 HydrophobicContact CG-CB 4.32Å; R134-A479 WeakPolarHBondContact CG-O 3.18Å; R134-A479 PolarHBondContact NH1-O 3.35Å
480W94Very high93.4Very high7 Ų720.1 Ų20.13%0.0279%0.092CC..SBendtrans-98102.7-173.3-172.6-120.5000113.3C112 H113 G114 E118 R134 A137C112-W480 VanDerWaalsContact O-CE2 3.27Å; C112-W480 WeakPolarHBondContact O-CZ2 3.25Å; C112-W480 PolarHBondContact O-NE1 2.86Å; H113-W480 AromaticContact CD2-CE2 3.81Å; H113-W480 AromaticContact CD2-CZ2 3.79Å; G114-W480 PolarHBondContact N-O 3.08Å; E118-W480 HydrophobicContact CB-CB 4.05Å; E118-W480 HydrophobicContact CG-CB 3.94Å; E118-W480 WeakPolarHBondContact OE2-CB 3.42Å; E118-W480 PolarHBondContact OE2-N 3.29Å; R134-W480 HydrophobicContact CB-CE3 3.81Å; R134-W480 HydrophobicContact CB-CZ3 4.08Å; R134-W480 HydrophobicContact CG-CE3 3.95Å; R134-W480 WeakPolarHBondContact O-CZ3 3.47Å; A137-W480 HydrophobicContact CB-CB 4.11Å; A137-W480 HydrophobicContact CB-CD2 3.4Å; A137-W480 HydrophobicContact CB-CE3 3.97Å; A137-W480 HydrophobicContact CB-CG 3.45Å; A137-W480 VanDerWaalsContact CB-CG 3.45Å; A137-W480 HydrophobicContact CB-CZ2 4.33Å
481G95.2Very high93.8Very high1 Ų122.8 Ų22.81%0.0111%0.112CC..SBendtrans163.3178.3178.400000110.5R134R134-G481 PolarHBondContact NH1-O 3.45Å
482V96.6Very high93.8Very high0 Ų025 Ų250%012%0.124CC..  trans-76.2125.5176.6-178.20000109.3H113 E173 E176 L177 V547 F548H113-V482 VanDerWaalsContact CE1-CG2 3.43Å; H113-V482 WeakPolarHBondContact CE1-CG2 3.12Å; E173-V482 HydrophobicContact CB-CG1 4.36Å; E173-V482 HydrophobicContact CB-CG2 4.08Å; E173-V482 HydrophobicContact CG-CG2 3.72Å; E176-V482 WeakPolarHBondContact OE2-CB 3.32Å; E176-V482 WeakPolarHBondContact OE2-CG2 3.49Å; L177-V482 HydrophobicContact CD2-CG1 3.57Å; L177-V482 HydrophobicContact CG-CG1 4.3Å; V482-V547 CarbonylContact O-C 3.57Å; V482-V547 WeakPolarHBondContact O-CA 3.48Å; V482-V547 WeakPolarHBondContact O-CB 3.22Å; V482-F548 HydrophobicContact CB-CD2 3.99Å; V482-F548 HydrophobicContact CG1-CD2 4.01Å; V482-F548 HydrophobicContact CG1-CE2 4.3Å; V482-F548 PolarHBondContact O-N 3.08Å
483P96.3Very high93.7Very high1 Ų132.1 Ų32.11%0.00615%0.152CC..BIsolated β-bridgetrans-69.5146.1-17728-33.9000111.7L177 P485 W517 F518L177-P483 WeakPolarHBondContact CD2-O 3.35Å; P483-P485 VanDerWaalsContact O-CD 3.27Å; P483-P485 WeakPolarHBondContact O-CD 3.22Å; P483-W517 HydrophobicContact CB-CB 4.23Å; P483-W517 HydrophobicContact CB-CD2 4.25Å; P483-W517 HydrophobicContact CB-CG 3.66Å; P483-W517 HydrophobicContact CG-CB 3.83Å; P483-W517 HydrophobicContact CG-CD2 4.42Å; P483-W517 HydrophobicContact CG-CG 3.76Å; P483-F518 HydrophobicContact CB-CE2 3.97Å; P483-F518 HydrophobicContact CB-CZ 3.98Å; P483-F518 HydrophobicContact CG-CE2 4.14Å
484I96.8Very high93.7Very high0 Ų032.9 Ų32.90%016%0.157CC..  trans-81.2110.8170.6-54.7-174.2000108.3F180 W433 V486 S544 E546 F548F180-I484 HydrophobicContact CE1-CG2 4.19Å; F180-I484 HydrophobicContact CE2-CG2 4Å; F180-I484 HydrophobicContact CZ-CG2 3.73Å; W433-I484 HydrophobicContact CB-CD1 4.36Å; W433-I484 HydrophobicContact CG-CD1 4.06Å; I484-V486 HydrophobicContact CG2-CG2 4.05Å; I484-V486 PolarHBondContact O-N 3.05Å; I484-S544 VanDerWaalsContact O-CB 3.24Å; I484-S544 WeakPolarHBondContact O-CB 3.34Å; I484-E546 HydrophobicContact CD1-CB 4.1Å; I484-E546 HydrophobicContact CG1-CB 4.42Å; I484-E546 PolarHBondContact N-O 3.1Å; I484-F548 HydrophobicContact CB-CE1 4.47Å; I484-F548 HydrophobicContact CB-CZ 4.42Å; I484-F548 HydrophobicContact CD1-CD1 3.95Å; I484-F548 HydrophobicContact CD1-CE1 3.86Å; I484-F548 HydrophobicContact CG1-CD1 3.79Å; I484-F548 HydrophobicContact CG1-CE1 3.58Å; I484-F548 HydrophobicContact CG1-CE2 4.39Å; I484-F548 HydrophobicContact CG1-CG 4.28Å; I484-F548 HydrophobicContact CG1-CZ 3.89Å; I484-F548 HydrophobicContact CG2-CE1 4.46Å; I484-F548 HydrophobicContact CG2-CZ 4.42Å
485P95.2Very high93.7Very high2 Ų234.8 Ų34.81%0.01317%0.169CC..  trans-8261.2-166.333.9-36000112.2L177 P483 I502 I505 W517L177-P485 HydrophobicContact CD1-CG 4.23Å; L177-P485 HydrophobicContact CD2-CG 3.95Å; L177-P485 HydrophobicContact CG-CG 4.47Å; P483-P485 VanDerWaalsContact O-CD 3.27Å; P483-P485 WeakPolarHBondContact O-CD 3.22Å; P485-I502 HydrophobicContact CG-CB 4.47Å; P485-I502 HydrophobicContact CG-CG1 4.06Å; P485-I502 HydrophobicContact CG-CG2 3.96Å; P485-I505 HydrophobicContact CB-CB 4.34Å; P485-I505 HydrophobicContact CB-CG2 4.01Å; P485-W517 VanDerWaalsContact CA-CH2 3.49Å; P485-W517 HydrophobicContact CB-CH2 4.13Å; P485-W517 HydrophobicContact CB-CZ3 4.12Å
486V96.6Very high93.8Very high0 Ų034.9 Ų34.90%017%0.17CC..  trans-121.3142.4-178.6174.20000110.3F180 W433 I484 F488 P495 I497 S544F180-V486 HydrophobicContact CE1-CG2 3.96Å; F180-V486 HydrophobicContact CZ-CG2 4.11Å; W433-V486 HydrophobicContact CH2-CG1 4.4Å; W433-V486 HydrophobicContact CH2-CG2 4.11Å; W433-V486 HydrophobicContact CZ2-CB 4.08Å; W433-V486 HydrophobicContact CZ2-CG1 3.87Å; W433-V486 HydrophobicContact CZ2-CG2 3.79Å; I484-V486 HydrophobicContact CG2-CG2 4.05Å; I484-V486 PolarHBondContact O-N 3.05Å; V486-F488 HydrophobicContact CG1-CZ 4.33Å; V486-P495 HydrophobicContact CG1-CB 3.9Å; V486-I497 HydrophobicContact CG1-CG1 4.49Å; V486-I497 HydrophobicContact CG2-CG1 4.35Å; V486-S544 VanDerWaalsContact O-CB 3.31Å; V486-S544 WeakPolarHBondContact O-CB 3.46Å; V486-S544 PolarHBondContact O-N 2.89Å
487L96.8Very high93.9Very high0 Ų036.1 Ų36.10%018%0.177CC..EExtended strand (participates in β ladder)trans-98.7154.6171.2-59.1-176000110.6P495 I496 L501 W517 I526 F530 V541 K543L487-P495 CarbonylContact O-C 3.54Å; L487-I496 HydrophobicContact CB-CB 4.44Å; L487-I496 PolarHBondContact O-N 3.27Å; L487-L501 HydrophobicContact CD1-CD2 4.07Å; L487-L501 HydrophobicContact CG-CD2 4.1Å; L487-W517 HydrophobicContact CD2-CH2 4.41Å; L487-I526 HydrophobicContact CD1-CD1 3.85Å; L487-I526 HydrophobicContact CD1-CG1 3.99Å; L487-I526 HydrophobicContact CD1-CG2 4.47Å; L487-I526 HydrophobicContact CD2-CD1 4.1Å; L487-I526 HydrophobicContact CG-CD1 4.34Å; L487-F530 HydrophobicContact CD1-CD1 4.47Å; L487-F530 HydrophobicContact CD1-CE1 3.62Å; L487-F530 HydrophobicContact CD1-CE2 4.42Å; L487-F530 HydrophobicContact CD1-CZ 3.59Å; L487-V541 HydrophobicContact CD1-CG2 4.25Å; L487-K543 HydrophobicContact CD2-CB 4.03Å
488F95.7Very high94.2Very high5 Ų534.4 Ų34.42%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-121.6140.9174-64.3-82000110.4V486 Y493 S494 P495 V541 Y542V486-F488 HydrophobicContact CG1-CZ 4.33Å; F488-Y493 WeakPolarHBondContact CD1-O 3.38Å; F488-S494 WeakPolarHBondContact CA-O 3.36Å; F488-P495 HydrophobicContact CD1-CB 4.15Å; F488-P495 HydrophobicContact CE1-CB 3.8Å; F488-V541 CarbonylContact O-C 3.33Å; F488-V541 WeakPolarHBondContact O-CA 3.48Å; F488-V541 WeakPolarHBondContact O-CB 3.37Å; F488-Y542 HydrophobicContact CB-CD1 3.92Å; F488-Y542 HydrophobicContact CB-CD2 4.26Å; F488-Y542 HydrophobicContact CB-CE1 3.39Å; F488-Y542 HydrophobicContact CB-CE2 3.75Å; F488-Y542 HydrophobicContact CB-CG 4.33Å; F488-Y542 WeakPolarHBondContact CB-OH 3.5Å; F488-Y542 HydrophobicContact CD2-CD2 4.21Å; F488-Y542 AromaticContact CD2-CE2 3.66Å; F488-Y542 HydrophobicContact CD2-CE2 3.66Å; F488-Y542 AromaticContact CD2-CZ 4Å; F488-Y542 HydrophobicContact CG-CE1 4.36Å; F488-Y542 AromaticContact CG-CE2 3.93Å; F488-Y542 HydrophobicContact CG-CE2 3.93Å; F488-Y542 AromaticContact CG-CZ 3.76Å; F488-Y542 PolarHBondContact N-O 2.95Å; F488-Y542 PolarHBondContact O-N 3.05Å
489R95.4Very high94.6Very high56 Ų5637.3 Ų37.321%0.21118%0.181CC..EExtended strand (participates in β ladder)trans-70137.4168.4-65.9-174.6-175.681.26.5109.8S491 D492 Y493 S494 I496R489-S491 VanDerWaalsContact C-N 3.3Å; R489-D492 WeakPolarHBondContact CB-OD1 3.36Å; R489-Y493 WeakPolarHBondContact O-CA 3.5Å; R489-Y493 PolarHBondContact O-N 3.5Å; R489-S494 WeakPolarHBondContact CD-OG 3.35Å; R489-S494 PolarHBondContact N-O 2.92Å; R489-S494 PolarHBondContact NH1-OG 2.69Å; R489-I496 HydrophobicContact CG-CD1 3.84Å; R489-I496 HydrophobicContact CG-CG1 4.08Å
490R94.2Very high94.9Very high136 Ų13642 Ų4251%0.51320%0.204SC..THydrogen-bonded Turntrans-72.6-24.5173-70.2-171.1-168.3-87.1-4.2113.2H539 D540 V541 Y542R490-H539 WeakPolarHBondContact CD-O 3.41Å; R490-H539 PolarHBondContact NE-O 3.31Å; R490-D540 PolarHBondContact N-O 2.92Å; R490-V541 PolarHBondContact NE-O 3.47Å; R490-V541 VanDerWaalsContact NE-O 3.09Å; R490-V541 PolarHBondContact NH2-O 2.92Å; R490-Y542 HydrophobicContact CG-CD1 3.83Å; R490-Y542 HydrophobicContact CG-CE1 4.5Å
491S92Very high95Very high102 Ų10241.8 Ų41.871%0.71320%0.204SC*.THydrogen-bonded Turntrans-68.6-41.9-176.251.30000113.1R489R489-S491 VanDerWaalsContact C-N 3.3Å
492D90.1Very high95.1Very high92 Ų9241.8 Ų41.849%0.49220%0.203SC..THydrogen-bonded Turntrans-137.44.1-171.5655.9000113.8R489 S494R489-D492 WeakPolarHBondContact CB-OD1 3.36Å; D492-S494 VanDerWaalsContact CG-OG 3.24Å; D492-S494 PolarHBondContact O-N 3.37Å; D492-S494 VanDerWaalsContact O-N 3.1Å; D492-S494 WeakPolarHBondContact OD1-CB 3.46Å; D492-S494 PolarHBondContact OD1-N 2.96Å; D492-S494 PolarHBondContact OD1-OG 2.88Å; D492-S494 PolarHBondContact OD2-OG 3.3Å
493Y89Confident95.1Very high160 Ų16045.6 Ų45.663%0.62722%0.224SC*.  trans60.116-178.1-50.2-80.6000114.2F488 R489 Y542F488-Y493 WeakPolarHBondContact CD1-O 3.38Å; R489-Y493 WeakPolarHBondContact O-CA 3.5Å; R489-Y493 PolarHBondContact O-N 3.5Å; Y493-Y542 HydrophobicContact CD1-CE1 4.09Å; Y493-Y542 WeakPolarHBondContact CD1-OH 3.48Å
494S92.4Very high95.1Very high29 Ų2948.8 Ų48.820%0.20324%0.238CC..  trans-72140.817864.40000111.3F488 R489 D492F488-S494 WeakPolarHBondContact CA-O 3.36Å; R489-S494 WeakPolarHBondContact CD-OG 3.35Å; R489-S494 PolarHBondContact N-O 2.92Å; R489-S494 PolarHBondContact NH1-OG 2.69Å; D492-S494 VanDerWaalsContact CG-OG 3.24Å; D492-S494 PolarHBondContact O-N 3.37Å; D492-S494 VanDerWaalsContact O-N 3.1Å; D492-S494 WeakPolarHBondContact OD1-CB 3.46Å; D492-S494 PolarHBondContact OD1-N 2.96Å; D492-S494 PolarHBondContact OD1-OG 2.88Å; D492-S494 PolarHBondContact OD2-OG 3.3Å
495P95.2Very high95.1Very high39 Ų3948.8 Ų48.825%0.25324%0.238SC..EExtended strand (participates in β ladder)trans-73.8145.3177.330.9-34.8000111.5W433 V486 L487 F488 I497W433-P495 HydrophobicContact CH2-CB 4.31Å; W433-P495 HydrophobicContact CZ2-CB 4.25Å; V486-P495 HydrophobicContact CG1-CB 3.9Å; L487-P495 CarbonylContact O-C 3.54Å; F488-P495 HydrophobicContact CD1-CB 4.15Å; F488-P495 HydrophobicContact CE1-CB 3.8Å; P495-I497 HydrophobicContact CB-CD1 4.01Å; P495-I497 HydrophobicContact CG-CD1 4.07Å
496I96Very high95.2Very high2 Ų248.7 Ų48.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-111.198.7168.8-50.6176.4000107.5L487 R489 F530 W534 L536 V541L487-I496 HydrophobicContact CB-CB 4.44Å; L487-I496 PolarHBondContact O-N 3.27Å; R489-I496 HydrophobicContact CG-CD1 3.84Å; R489-I496 HydrophobicContact CG-CG1 4.08Å; I496-F530 HydrophobicContact CG2-CE2 4.13Å; I496-F530 HydrophobicContact CG2-CZ 3.84Å; I496-W534 HydrophobicContact CG2-CD2 3.74Å; I496-W534 VanDerWaalsContact CG2-CE2 3.43Å; I496-W534 HydrophobicContact CG2-CE3 4.18Å; I496-W534 HydrophobicContact CG2-CG 4.25Å; I496-W534 HydrophobicContact CG2-CH2 4.04Å; I496-W534 HydrophobicContact CG2-CZ2 3.6Å; I496-W534 HydrophobicContact CG2-CZ3 4.32Å; I496-L536 HydrophobicContact CD1-CD1 3.38Å; I496-V541 HydrophobicContact CD1-CG1 3.92Å
497I95Very high95.2Very high39 Ų3951.6 Ų51.620%0.226%0.258CS..  trans-92.1108.9174.2-49.596.5000108.4W433 V486 P495 Y499 I502W433-I497 HydrophobicContact CH2-CD1 3.98Å; W433-I497 HydrophobicContact CH2-CG1 3.66Å; W433-I497 HydrophobicContact CZ3-CG1 4.37Å; V486-I497 HydrophobicContact CG1-CG1 4.49Å; V486-I497 HydrophobicContact CG2-CG1 4.35Å; P495-I497 HydrophobicContact CB-CD1 4.01Å; P495-I497 HydrophobicContact CG-CD1 4.07Å; I497-Y499 HydrophobicContact CG2-CD1 4.4Å; I497-Y499 HydrophobicContact CG2-CE1 3.99Å; I497-I502 HydrophobicContact CG2-CD1 3.91Å
498D96.4Very high95.2Very high5 Ų553.3 Ų53.33%0.02727%0.265CS..  trans-121.5113179.1-171.4-64000110D500 L501 I502 F530 K533 W534D498-D500 VanDerWaalsContact C-N 3.29Å; D498-D500 PolarHBondContact O-N 3.22Å; D498-D500 WeakPolarHBondContact OD1-CB 2.9Å; D498-D500 PolarHBondContact OD1-N 3.05Å; D498-L501 HydrophobicContact CB-CB 3.93Å; D498-L501 WeakPolarHBondContact O-CB 3.47Å; D498-L501 PolarHBondContact O-N 2.77Å; D498-L501 PolarHBondContact OD1-N 3.35Å; D498-I502 VanDerWaalsContact O-CG1 3.31Å; D498-I502 WeakPolarHBondContact O-CG1 2.99Å; D498-I502 PolarHBondContact O-N 2.88Å; D498-F530 HydrophobicContact CB-CD2 4.04Å; D498-F530 HydrophobicContact CB-CE2 3.64Å; D498-K533 IonicContact OD1-NZ 2.88Å; D498-K533 PolarHBondContact OD1-NZ 3.15Å; D498-K533 WeakPolarHBondContact OD2-CD 3.3Å; D498-K533 WeakPolarHBondContact OD2-CE 3.14Å; D498-K533 IonicContact OD2-NZ 3.39Å; D498-K533 PolarHBondContact OD2-NZ 3.45Å; D498-W534 PolarHBondContact OD2-NE1 3.03Å
499Y96.9Very high95.3Very high96 Ų9653.1 Ų53.138%0.37626%0.264SS..Hα-helixtrans-66.9-29.9-174.4-53.4-54.2000113.1S181 H184 S185 I497 I502 D503S181-Y499 WeakPolarHBondContact OG-CD1 3.29Å; H184-Y499 AromaticContact ND1-CE1 3.64Å; H184-Y499 AromaticContact ND1-CZ 3.72Å; H184-Y499 PolarHBondContact ND1-OH 3.28Å; S185-Y499 WeakPolarHBondContact CA-OH 3.42Å; I497-Y499 HydrophobicContact CG2-CD1 4.4Å; I497-Y499 HydrophobicContact CG2-CE1 3.99Å; Y499-I502 HydrophobicContact CD1-CD1 4.36Å; Y499-I502 PolarHBondContact O-N 3.43Å; Y499-D503 PolarHBondContact O-N 3.41Å
500D96.8Very high95.3Very high109 Ų10952.8 Ų52.858%0.58327%0.273SS*.Hα-helixtrans-69.9-39.6176.7-53.2-48.8000109.9D498 D503 H504 K533D498-D500 VanDerWaalsContact C-N 3.29Å; D498-D500 PolarHBondContact O-N 3.22Å; D498-D500 WeakPolarHBondContact OD1-CB 2.9Å; D498-D500 PolarHBondContact OD1-N 3.05Å; D500-D503 PolarHBondContact O-N 2.83Å; D500-H504 WeakPolarHBondContact O-CB 3.33Å; D500-H504 PolarHBondContact O-N 3.37Å; D500-K533 IonicContact OD2-NZ 3.49Å; D500-K533 PolarHBondContact OD2-NZ 3.24Å
501L96.4Very high95.3Very high3 Ų349.8 Ų49.82%0.01627%0.273CS..Hα-helixtrans-63.2-45.6172178.262.5000111.3L487 D498 D503 H504 I505 I526 F530L487-L501 HydrophobicContact CD1-CD2 4.07Å; L487-L501 HydrophobicContact CG-CD2 4.1Å; D498-L501 HydrophobicContact CB-CB 3.93Å; D498-L501 WeakPolarHBondContact O-CB 3.47Å; D498-L501 PolarHBondContact O-N 2.77Å; D498-L501 PolarHBondContact OD1-N 3.35Å; L501-D503 VanDerWaalsContact C-N 3.31Å; L501-D503 PolarHBondContact O-N 3.25Å; L501-H504 WeakPolarHBondContact O-CB 3.38Å; L501-H504 PolarHBondContact O-N 2.57Å; L501-I505 HydrophobicContact CD1-CD1 4.29Å; L501-I505 HydrophobicContact CD1-CG1 3.97Å; L501-I505 HydrophobicContact CG-CG1 4.28Å; L501-I505 VanDerWaalsContact O-CG1 3.29Å; L501-I505 WeakPolarHBondContact O-CG1 3.46Å; L501-I505 PolarHBondContact O-N 3.14Å; L501-I526 HydrophobicContact CD1-CD1 3.64Å; L501-I526 HydrophobicContact CD1-CG2 4.43Å; L501-I526 HydrophobicContact CD2-CD1 3.92Å; L501-I526 HydrophobicContact CG-CD1 4.4Å; L501-F530 HydrophobicContact CB-CD2 4.04Å; L501-F530 HydrophobicContact CB-CE2 4.36Å; L501-F530 HydrophobicContact CD2-CD2 3.98Å; L501-F530 HydrophobicContact CD2-CE2 3.75Å; L501-F530 HydrophobicContact CD2-CZ 4.33Å; L501-F530 HydrophobicContact CG-CD2 4.47Å
502I97.1Very high95.4Very high1 Ų149.7 Ų49.71%0.00526%0.261CS..Hα-helixtrans-61.4-41.3179.7-63.1169.1000110.8L177 F180 P485 I497 D498 Y499 I505 S506L177-I502 HydrophobicContact CB-CG2 4.49Å; L177-I502 WeakPolarHBondContact O-CG2 2.97Å; F180-I502 HydrophobicContact CD1-CD1 4.15Å; F180-I502 HydrophobicContact CE1-CD1 4.07Å; P485-I502 HydrophobicContact CG-CB 4.47Å; P485-I502 HydrophobicContact CG-CG1 4.06Å; P485-I502 HydrophobicContact CG-CG2 3.96Å; I497-I502 HydrophobicContact CG2-CD1 3.91Å; D498-I502 VanDerWaalsContact O-CG1 3.31Å; D498-I502 WeakPolarHBondContact O-CG1 2.99Å; D498-I502 PolarHBondContact O-N 2.88Å; Y499-I502 HydrophobicContact CD1-CD1 4.36Å; Y499-I502 PolarHBondContact O-N 3.43Å; I502-I505 PolarHBondContact O-N 3.03Å; I502-S506 VanDerWaalsContact O-CB 3.23Å; I502-S506 WeakPolarHBondContact O-CB 3.38Å; I502-S506 PolarHBondContact O-N 2.74Å
503D96.8Very high95.6Very high80 Ų8045.7 Ų45.743%0.42824%0.242SC..Hα-helixtrans-67.5-37.5176.4-169.557.3000112.4K178 Y499 D500 L501 S506 S507K178-D503 WeakPolarHBondContact CE-OD1 3.5Å; K178-D503 IonicContact NZ-OD1 3.31Å; K178-D503 PolarHBondContact NZ-OD1 3.02Å; Y499-D503 PolarHBondContact O-N 3.41Å; D500-D503 PolarHBondContact O-N 2.83Å; L501-D503 VanDerWaalsContact C-N 3.31Å; L501-D503 PolarHBondContact O-N 3.25Å; D503-S506 PolarHBondContact O-N 2.9Å; D503-S507 WeakPolarHBondContact O-CB 3.34Å; D503-S507 PolarHBondContact O-N 2.97Å; D503-S507 PolarHBondContact O-OG 3.18Å
504H96.2Very high95.9Very high68 Ų6838.2 Ų38.232%0.31521%0.213SC..Hα-helixtrans-60.4-50172.3177.470.6000111.8D500 L501 S507 R508D500-H504 WeakPolarHBondContact O-CB 3.33Å; D500-H504 PolarHBondContact O-N 3.37Å; L501-H504 WeakPolarHBondContact O-CB 3.38Å; L501-H504 PolarHBondContact O-N 2.57Å; H504-S507 PolarHBondContact O-N 3.46Å; H504-R508 PolarHBondContact O-N 2.97Å
505I97.1Very high96Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-65.1-43179.2-61.8-63.6000110.5L177 P485 L501 I502 S507 R508 V509 F516 W517L177-I505 HydrophobicContact CD1-CG2 3.94Å; P485-I505 HydrophobicContact CB-CB 4.34Å; P485-I505 HydrophobicContact CB-CG2 4.01Å; L501-I505 HydrophobicContact CD1-CD1 4.29Å; L501-I505 HydrophobicContact CD1-CG1 3.97Å; L501-I505 HydrophobicContact CG-CG1 4.28Å; L501-I505 VanDerWaalsContact O-CG1 3.29Å; L501-I505 WeakPolarHBondContact O-CG1 3.46Å; L501-I505 PolarHBondContact O-N 3.14Å; I502-I505 PolarHBondContact O-N 3.03Å; I505-S507 VanDerWaalsContact C-N 3.3Å; I505-S507 PolarHBondContact O-N 2.9Å; I505-R508 PolarHBondContact O-N 3.35Å; I505-V509 HydrophobicContact CG2-CG2 4.33Å; I505-V509 WeakPolarHBondContact O-CG2 3.43Å; I505-V509 PolarHBondContact O-N 3.37Å; I505-F516 HydrophobicContact CD1-CE2 4.24Å; I505-F516 HydrophobicContact CG2-CE2 4.34Å; I505-F516 HydrophobicContact CG2-CZ 4.19Å; I505-W517 HydrophobicContact CD1-CE3 4.25Å; I505-W517 HydrophobicContact CD1-CZ3 3.97Å; I505-W517 HydrophobicContact CG1-CZ3 4Å; I505-W517 HydrophobicContact CG2-CE3 4.05Å; I505-W517 HydrophobicContact CG2-CZ3 4.21Å
506S96.9Very high95.9Very high1 Ų139.5 Ų39.51%0.00722%0.215CC..Hα-helixtrans-57.2-42.8173.9175.90000112.2A174 K178 I502 D503 R508 V509 A510A174-S506 WeakPolarHBondContact CB-O 3.42Å; A174-S506 PolarHBondContact O-OG 3.26Å; K178-S506 WeakPolarHBondContact CE-OG 3.39Å; K178-S506 WeakPolarHBondContact CG-OG 3.35Å; I502-S506 VanDerWaalsContact O-CB 3.23Å; I502-S506 WeakPolarHBondContact O-CB 3.38Å; I502-S506 PolarHBondContact O-N 2.74Å; D503-S506 PolarHBondContact O-N 2.9Å; S506-R508 PolarHBondContact O-N 2.89Å; S506-V509 PolarHBondContact O-N 2.99Å; S506-A510 PolarHBondContact O-N 3.21Å
507S96.6Very high95.9Very high60 Ų6039.4 Ų39.442%0.4222%0.215SC..Hα-helixtrans-64.2-40.2177.1-61.90000112.1D503 H504 I505 A510D503-S507 WeakPolarHBondContact O-CB 3.34Å; D503-S507 PolarHBondContact O-N 2.97Å; D503-S507 PolarHBondContact O-OG 3.18Å; H504-S507 PolarHBondContact O-N 3.46Å; I505-S507 VanDerWaalsContact C-N 3.3Å; I505-S507 PolarHBondContact O-N 2.9Å; S507-A510 PolarHBondContact O-N 3.42Å
508R96.8Very high95.8Very high36 Ų3639.3 Ų39.314%0.13621%0.213CC..Hα-helixtrans-66.1-41.9172.7-72.7-168.366-166.1-6.3112.4H504 I505 S506 A510 S511 E512 F516 E520H504-R508 PolarHBondContact O-N 2.97Å; I505-R508 PolarHBondContact O-N 3.35Å; S506-R508 PolarHBondContact O-N 2.89Å; R508-A510 VanDerWaalsContact C-N 3.26Å; R508-A510 PolarHBondContact O-N 2.94Å; R508-S511 PolarHBondContact O-N 3.2Å; R508-S511 VanDerWaalsContact O-N 3.11Å; R508-S511 PolarHBondContact O-OG 3.26Å; R508-E512 IonicContact CZ-OE2 3.39Å; R508-E512 IonicContact NE-OE1 2.67Å; R508-E512 IonicContact NE-OE2 3.66Å; R508-E512 IonicContact NH2-OE1 3.67Å; R508-E512 IonicContact NH2-OE2 3.72Å; R508-E512 PolarHBondContact NH2-OE2 3.42Å; R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 3.4Å; R508-F516 HydrophobicContact CB-CE1 3.69Å; R508-F516 HydrophobicContact CB-CE2 4.27Å; R508-F516 HydrophobicContact CB-CZ 3.46Å; R508-F516 VanDerWaalsContact CB-CZ 3.46Å; R508-E520 IonicContact CZ-OE1 2.8Å; R508-E520 IonicContact CZ-OE2 2.7Å; R508-E520 IonicContact NH1-OE1 3.66Å; R508-E520 IonicContact NH1-OE2 2.93Å; R508-E520 PolarHBondContact NH1-OE2 3.22Å; R508-E520 IonicContact NH2-OE1 3.2Å; R508-E520 PolarHBondContact NH2-OE1 2.87Å; R508-E520 IonicContact NH2-OE2 3.89Å; R508-E520 PolarHBondContact NH2-OE2 3.04Å
509V97.2Very high95.5Very high1 Ų142.4 Ų42.41%0.00623%0.232CC..Hα-helixtrans-58.3-41.3176.3168.70000110.6K170 E173 A174 L177 I505 S506 S511 G513 F516K170-V509 WeakPolarHBondContact CB-O 3.31Å; E173-V509 HydrophobicContact CB-CG1 3.48Å; E173-V509 VanDerWaalsContact CB-CG1 3.48Å; A174-V509 HydrophobicContact CB-CB 4.49Å; A174-V509 HydrophobicContact CB-CG1 4.24Å; L177-V509 HydrophobicContact CD1-CB 4.43Å; L177-V509 HydrophobicContact CD1-CG2 3.84Å; I505-V509 HydrophobicContact CG2-CG2 4.33Å; I505-V509 WeakPolarHBondContact O-CG2 3.43Å; I505-V509 PolarHBondContact O-N 3.37Å; S506-V509 PolarHBondContact O-N 2.99Å; V509-S511 VanDerWaalsContact C-N 3.25Å; V509-S511 PolarHBondContact O-N 3.36Å; V509-G513 WeakPolarHBondContact O-CA 3.4Å; V509-G513 PolarHBondContact O-N 3.28Å; V509-F516 HydrophobicContact CG2-CE1 3.9Å; V509-F516 HydrophobicContact CG2-CZ 3.82Å
510A95.3Very high95.4Very high50 Ų5039.9 Ų39.941%0.41322%0.224SC..Hα-helixtrans-59.7-32.2177.800000113.6A174 S506 S507 R508A174-A510 HydrophobicContact CB-CB 3.81Å; S506-A510 PolarHBondContact O-N 3.21Å; S507-A510 PolarHBondContact O-N 3.42Å; R508-A510 VanDerWaalsContact C-N 3.26Å; R508-A510 PolarHBondContact O-N 2.94Å
511S94.8Very high95.3Very high73 Ų7338.1 Ų38.151%0.5122%0.217SC..Hα-helixtrans-91.2-43.6178.349.20000113.5K170 R508 V509K170-S511 PolarHBondContact NZ-O 3.28Å; R508-S511 PolarHBondContact O-N 3.2Å; R508-S511 VanDerWaalsContact O-N 3.11Å; R508-S511 PolarHBondContact O-OG 3.26Å; V509-S511 VanDerWaalsContact C-N 3.25Å; V509-S511 PolarHBondContact O-N 3.36Å
512E94.7Very high95.1Very high99 Ų9938.9 Ų38.946%0.46322%0.222SC..Hα-helixtrans-106-27.2-165.7-66.4165.4-125.200112.8K170 R508 F516K170-E512 VanDerWaalsContact CE-C 3.46Å; K170-E512 VanDerWaalsContact CE-O 3.25Å; K170-E512 WeakPolarHBondContact CE-O 3.28Å; K170-E512 PolarHBondContact NZ-O 2.91Å; R508-E512 IonicContact CZ-OE2 3.39Å; R508-E512 IonicContact NE-OE1 2.67Å; R508-E512 IonicContact NE-OE2 3.66Å; R508-E512 IonicContact NH2-OE1 3.67Å; R508-E512 IonicContact NH2-OE2 3.72Å; R508-E512 PolarHBondContact NH2-OE2 3.42Å; R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 3.4Å; E512-F516 HydrophobicContact CB-CD1 4.04Å; E512-F516 HydrophobicContact CB-CE1 4.36Å
513G93.9Very high95Very high9 Ų943.8 Ų43.89%0.09325%0.249CC..  trans91172-166.900000112.1V509 D515 F516V509-G513 WeakPolarHBondContact O-CA 3.4Å; V509-G513 PolarHBondContact O-N 3.28Å; G513-D515 PolarHBondContact O-N 3.44Å; G513-F516 WeakPolarHBondContact O-CD1 3.39Å; G513-F516 WeakPolarHBondContact O-CE1 3.47Å
514S94.9Very high94.8Very high2 Ų245.9 Ų45.91%0.01426%0.256CS..THydrogen-bonded Turntrans-80.9-5.9-172.1620000116.8R134 E173 F516 W517R134-S514 PolarHBondContact NH2-OG 3.11Å; E173-S514 VanDerWaalsContact CD-OG 3.29Å; E173-S514 WeakPolarHBondContact OE1-CB 3.2Å; E173-S514 PolarHBondContact OE1-OG 3.03Å; E173-S514 WeakPolarHBondContact OE2-CB 3.35Å; E173-S514 PolarHBondContact OE2-N 3.21Å; E173-S514 VanDerWaalsContact OE2-N 3.11Å; E173-S514 PolarHBondContact OE2-OG 2.89Å; S514-F516 VanDerWaalsContact C-N 3.33Å; S514-F516 PolarHBondContact O-N 3.24Å; S514-W517 WeakPolarHBondContact O-CB 3.22Å; S514-W517 PolarHBondContact O-N 2.79Å
515D94Very high94.6Very high83 Ų8342.7 Ų42.744%0.44424%0.241SC..THydrogen-bonded Turntrans-63.2-33.7-172.9-73.3-19.3000114.2R134 G513 W517 F518 T519R134-D515 IonicContact CZ-OD1 3.67Å; R134-D515 IonicContact NE-OD1 3.53Å; R134-D515 PolarHBondContact NE-OD1 3.08Å; R134-D515 IonicContact NH2-OD1 2.85Å; R134-D515 PolarHBondContact NH2-OD1 3.04Å; G513-D515 PolarHBondContact O-N 3.44Å; D515-W517 PolarHBondContact O-N 3.36Å; D515-W517 VanDerWaalsContact O-N 3.13Å; D515-F518 PolarHBondContact O-N 3.44Å; D515-T519 PolarHBondContact O-N 3.37Å; D515-T519 PolarHBondContact O-OG1 2.94Å
516F94.8Very high94.5Very high12 Ų1243 Ų435%0.05324%0.243CC..Hα-helixtrans-59-28.2-178.969-103.6000112.3I505 R508 V509 E512 G513 S514 F518 T519 E520 L525I505-F516 HydrophobicContact CD1-CE2 4.24Å; I505-F516 HydrophobicContact CG2-CE2 4.34Å; I505-F516 HydrophobicContact CG2-CZ 4.19Å; R508-F516 HydrophobicContact CB-CE1 3.69Å; R508-F516 HydrophobicContact CB-CE2 4.27Å; R508-F516 HydrophobicContact CB-CZ 3.46Å; R508-F516 VanDerWaalsContact CB-CZ 3.46Å; V509-F516 HydrophobicContact CG2-CE1 3.9Å; V509-F516 HydrophobicContact CG2-CZ 3.82Å; E512-F516 HydrophobicContact CB-CD1 4.04Å; E512-F516 HydrophobicContact CB-CE1 4.36Å; G513-F516 WeakPolarHBondContact O-CD1 3.39Å; G513-F516 WeakPolarHBondContact O-CE1 3.47Å; S514-F516 VanDerWaalsContact C-N 3.33Å; S514-F516 PolarHBondContact O-N 3.24Å; F516-F518 PolarHBondContact O-N 3.02Å; F516-T519 WeakPolarHBondContact CA-OG1 3.3Å; F516-T519 PolarHBondContact O-N 3.5Å; F516-E520 HydrophobicContact CB-CG 4.28Å; F516-E520 WeakPolarHBondContact O-CB 3.41Å; F516-E520 PolarHBondContact O-N 2.91Å; F516-L525 HydrophobicContact CD2-CD2 3.39Å; F516-L525 HydrophobicContact CE2-CD2 3.79Å
517W95.3Very high94.4Very high1 Ų144.8 Ų44.80%0.00425%0.254CS..Hα-helixtrans-58.9-31.8176.4-175.8-94.3000112.1P483 P485 L487 I505 S514 D515 K543 S544P483-W517 HydrophobicContact CB-CB 4.23Å; P483-W517 HydrophobicContact CB-CD2 4.25Å; P483-W517 HydrophobicContact CB-CG 3.66Å; P483-W517 HydrophobicContact CG-CB 3.83Å; P483-W517 HydrophobicContact CG-CD2 4.42Å; P483-W517 HydrophobicContact CG-CG 3.76Å; P485-W517 VanDerWaalsContact CA-CH2 3.49Å; P485-W517 HydrophobicContact CB-CH2 4.13Å; P485-W517 HydrophobicContact CB-CZ3 4.12Å; L487-W517 HydrophobicContact CD2-CH2 4.41Å; I505-W517 HydrophobicContact CD1-CE3 4.25Å; I505-W517 HydrophobicContact CD1-CZ3 3.97Å; I505-W517 HydrophobicContact CG1-CZ3 4Å; I505-W517 HydrophobicContact CG2-CE3 4.05Å; I505-W517 HydrophobicContact CG2-CZ3 4.21Å; S514-W517 WeakPolarHBondContact O-CB 3.22Å; S514-W517 PolarHBondContact O-N 2.79Å; D515-W517 PolarHBondContact O-N 3.36Å; D515-W517 VanDerWaalsContact O-N 3.13Å; W517-K543 HydrophobicContact CH2-CB 4.45Å; W517-K543 HydrophobicContact CZ2-CB 3.88Å; W517-K543 VanDerWaalsContact O-CD 3.3Å; W517-K543 WeakPolarHBondContact O-CD 3.28Å; W517-K543 VanDerWaalsContact O-CE 3.29Å; W517-K543 WeakPolarHBondContact O-CE 3.38Å; W517-K543 PolarHBondContact O-NZ 2.93Å; W517-S544 PolarHBondContact NE1-O 3.14Å
518F92.2Very high94.2Very high36 Ų3648.2 Ų48.216%0.15826%0.263CS..Hα-helixtrans-88.7-34.3-178.7-64.1-88.7000112.1P130 R134 P483 D515 F516 K543 V547P130-F518 HydrophobicContact CB-CD1 4.3Å; R134-F518 VanDerWaalsContact CZ-CE2 3.47Å; P483-F518 HydrophobicContact CB-CE2 3.97Å; P483-F518 HydrophobicContact CB-CZ 3.98Å; P483-F518 HydrophobicContact CG-CE2 4.14Å; D515-F518 PolarHBondContact O-N 3.44Å; F516-F518 PolarHBondContact O-N 3.02Å; F518-K543 PolarHBondContact O-NZ 3.13Å; F518-V547 HydrophobicContact CZ-CG1 3.81Å
519T91.3Very high94.1Very high71 Ų7152.5 Ų52.544%0.43629%0.288SS..Hα-helixtrans-90.7-33.9-172.355.80000114.3E131 D515 F516E131-T519 HydrophobicContact CB-CG2 4.19Å; E131-T519 HydrophobicContact CG-CG2 3.8Å; D515-T519 PolarHBondContact O-N 3.37Å; D515-T519 PolarHBondContact O-OG1 2.94Å; F516-T519 WeakPolarHBondContact CA-OG1 3.3Å; F516-T519 PolarHBondContact O-N 3.5Å
520E94.3Very high94Very high43 Ų4352.7 Ų52.720%0.20129%0.289CS..SBendtrans-84.4154-176.7-67.9-179-17000113.1R508 F516 Q524 L525 K543R508-E520 IonicContact CZ-OE1 2.8Å; R508-E520 IonicContact CZ-OE2 2.7Å; R508-E520 IonicContact NH1-OE1 3.66Å; R508-E520 IonicContact NH1-OE2 2.93Å; R508-E520 PolarHBondContact NH1-OE2 3.22Å; R508-E520 IonicContact NH2-OE1 3.2Å; R508-E520 PolarHBondContact NH2-OE1 2.87Å; R508-E520 IonicContact NH2-OE2 3.89Å; R508-E520 PolarHBondContact NH2-OE2 3.04Å; F516-E520 HydrophobicContact CB-CG 4.28Å; F516-E520 WeakPolarHBondContact O-CB 3.41Å; F516-E520 PolarHBondContact O-N 2.91Å; E520-Q524 HydrophobicContact CB-CB 4.05Å; E520-Q524 HydrophobicContact CG-CB 4.46Å; E520-L525 HydrophobicContact CB-CD1 4.2Å; E520-L525 HydrophobicContact CB-CD2 3.8Å; E520-L525 HydrophobicContact CB-CG 3.68Å; E520-L525 WeakPolarHBondContact O-CD1 3.48Å; E520-L525 WeakPolarHBondContact OE2-CD2 3.44Å; E520-K543 PolarHBondContact O-NZ 2.98Å
521T93.9Very high94Very high72 Ų7251.8 Ų51.844%0.44228%0.275SS..  trans-81.8166.8174.967.40000112.1D523 Q524 L525T521-D523 VanDerWaalsContact C-N 3.25Å; T521-D523 PolarHBondContact O-N 3.15Å; T521-Q524 PolarHBondContact O-N 3.19Å; T521-Q524 VanDerWaalsContact O-N 3.12Å; T521-Q524 PolarHBondContact OG1-OE1 3.1Å; T521-L525 WeakPolarHBondContact O-CB 3.18Å; T521-L525 VanDerWaalsContact O-CG 3.26Å; T521-L525 WeakPolarHBondContact O-CG 3.23Å; T521-L525 PolarHBondContact O-N 3.33Å
522C94.1Very high94Very high18 Ų1855 Ų5512%0.12228%0.279CS..Hα-helixtrans-60.1-35.8177-67.20000112.2Q524 L525 I526 W531C522-Q524 PolarHBondContact O-N 3.25Å; C522-L525 PolarHBondContact O-N 3.06Å; C522-I526 HydrophobicContact CB-CG1 4.4Å; C522-I526 VanDerWaalsContact O-CB 3.32Å; C522-I526 WeakPolarHBondContact O-CB 3.37Å; C522-I526 VanDerWaalsContact O-CG1 3.27Å; C522-I526 WeakPolarHBondContact O-CG1 3.39Å; C522-I526 PolarHBondContact O-N 3.35Å; C522-W531 HydrophobicContact CB-CH2 4.21Å; C522-W531 HydrophobicContact CB-CZ2 4.33Å
523D93Very high94.1Very high105 Ų10555.5 Ų55.556%0.56128%0.28SS*.Hα-helixtrans-62.8-31.3176.7-57.9-69000113.2T521 S538T521-D523 VanDerWaalsContact C-N 3.25Å; T521-D523 PolarHBondContact O-N 3.15Å; D523-S538 WeakPolarHBondContact OD1-CB 3.24Å; D523-S538 PolarHBondContact OD1-OG 3.33Å; D523-S538 PolarHBondContact OD2-OG 3.09Å
524Q93.8Very high94.1Very high123 Ų12359.1 Ų59.158%0.57529%0.291SS*.Hα-helixtrans-82.9-38178.8-67.1171.8-39.900111.8E520 T521 C522E520-Q524 HydrophobicContact CB-CB 4.05Å; E520-Q524 HydrophobicContact CG-CB 4.46Å; T521-Q524 PolarHBondContact O-N 3.19Å; T521-Q524 VanDerWaalsContact O-N 3.12Å; T521-Q524 PolarHBondContact OG1-OE1 3.1Å; C522-Q524 PolarHBondContact O-N 3.25Å
525L92.8Very high94.1Very high2 Ų264.1 Ų64.11%0.0133%0.326CS..Hα-helixtrans-78.9-38.2-173-73.1168.8000113.8F516 E520 T521 C522 K543F516-L525 HydrophobicContact CD2-CD2 3.39Å; F516-L525 HydrophobicContact CE2-CD2 3.79Å; E520-L525 HydrophobicContact CB-CD1 4.2Å; E520-L525 HydrophobicContact CB-CD2 3.8Å; E520-L525 HydrophobicContact CB-CG 3.68Å; E520-L525 WeakPolarHBondContact O-CD1 3.48Å; E520-L525 WeakPolarHBondContact OE2-CD2 3.44Å; T521-L525 WeakPolarHBondContact O-CB 3.18Å; T521-L525 VanDerWaalsContact O-CG 3.26Å; T521-L525 WeakPolarHBondContact O-CG 3.23Å; T521-L525 PolarHBondContact O-N 3.33Å; C522-L525 PolarHBondContact O-N 3.06Å; L525-K543 HydrophobicContact CD1-CD 3.94Å
526I94.2Very high94.2Very high7 Ų761.5 Ų61.54%0.03631%0.312CS..SBendtrans-103.6123.1-162-52.8-55.8000110L487 L501 C522 F530 W531L487-I526 HydrophobicContact CD1-CD1 3.85Å; L487-I526 HydrophobicContact CD1-CG1 3.99Å; L487-I526 HydrophobicContact CD1-CG2 4.47Å; L487-I526 HydrophobicContact CD2-CD1 4.1Å; L487-I526 HydrophobicContact CG-CD1 4.34Å; L501-I526 HydrophobicContact CD1-CD1 3.64Å; L501-I526 HydrophobicContact CD1-CG2 4.43Å; L501-I526 HydrophobicContact CD2-CD1 3.92Å; L501-I526 HydrophobicContact CG-CD1 4.4Å; C522-I526 HydrophobicContact CB-CG1 4.4Å; C522-I526 VanDerWaalsContact O-CB 3.32Å; C522-I526 WeakPolarHBondContact O-CB 3.37Å; C522-I526 VanDerWaalsContact O-CG1 3.27Å; C522-I526 WeakPolarHBondContact O-CG1 3.39Å; C522-I526 PolarHBondContact O-N 3.35Å; I526-F530 HydrophobicContact CG2-CB 3.67Å; I526-F530 HydrophobicContact CG2-CD1 3.3Å; I526-F530 HydrophobicContact CG2-CD2 4.46Å; I526-F530 HydrophobicContact CG2-CE1 4.06Å; I526-F530 HydrophobicContact CG2-CG 3.56Å; I526-W531 HydrophobicContact CB-CH2 4Å; I526-W531 HydrophobicContact CB-CZ2 3.36Å; I526-W531 HydrophobicContact CG1-CH2 4.05Å; I526-W531 HydrophobicContact CG1-CZ2 3.83Å; I526-W531 HydrophobicContact CG2-CD2 4.11Å; I526-W531 HydrophobicContact CG2-CE3 4.47Å; I526-W531 HydrophobicContact CG2-CH2 3.9Å; I526-W531 HydrophobicContact CG2-CZ2 3.51Å; I526-W531 HydrophobicContact CG2-CZ3 4.37Å; I526-W531 PolarHBondContact O-NE1 3.21Å
527P93.8Very high94.1Very high37 Ų3766.5 Ų66.524%0.2434%0.335CS..  trans-69.5148.3-175.928.1-34.4000111.9I529 F530P527-I529 HydrophobicContact CB-CG2 4.18Å; P527-I529 HydrophobicContact CG-CG2 4.18Å; P527-I529 PolarHBondContact O-N 3.33Å; P527-F530 HydrophobicContact CG-CB 4.4Å; P527-F530 VanDerWaalsContact O-CB 3.29Å; P527-F530 WeakPolarHBondContact O-CB 3.38Å; P527-F530 PolarHBondContact O-N 3.45Å
528E93.3Very high94Very high132 Ų13267.7 Ų67.762%0.61734%0.344SS*.Hα-helixtrans-55-30.7-176.3-160.3-168.7155.100113.8F530 W531 K532E528-F530 VanDerWaalsContact C-N 3.26Å; E528-F530 PolarHBondContact O-N 2.66Å; E528-W531 PolarHBondContact O-N 3.09Å; E528-K532 PolarHBondContact O-N 2.95Å; E528-K532 WeakPolarHBondContact OE1-CE 3.44Å; E528-K532 IonicContact OE1-NZ 2.74Å; E528-K532 PolarHBondContact OE1-NZ 3.49Å
529I94.5Very high94Very high127 Ų12772 Ų7265%0.65136%0.364SS*.Hα-helixtrans-62.4-32.3176.9-164.3166.7000112.7P527 K533P527-I529 HydrophobicContact CB-CG2 4.18Å; P527-I529 HydrophobicContact CG-CG2 4.18Å; P527-I529 PolarHBondContact O-N 3.33Å; I529-K533 WeakPolarHBondContact O-CB 3.45Å; I529-K533 PolarHBondContact O-N 3.11Å
530F96.2Very high94.2Very high4 Ų471.3 Ų71.32%0.01836%0.358CS..Hα-helixtrans-67.2-46.7177.8175-84000110.9L487 I496 D498 L501 I526 P527 E528 K532 K533 W534L487-F530 HydrophobicContact CD1-CD1 4.47Å; L487-F530 HydrophobicContact CD1-CE1 3.62Å; L487-F530 HydrophobicContact CD1-CE2 4.42Å; L487-F530 HydrophobicContact CD1-CZ 3.59Å; I496-F530 HydrophobicContact CG2-CE2 4.13Å; I496-F530 HydrophobicContact CG2-CZ 3.84Å; D498-F530 HydrophobicContact CB-CD2 4.04Å; D498-F530 HydrophobicContact CB-CE2 3.64Å; L501-F530 HydrophobicContact CB-CD2 4.04Å; L501-F530 HydrophobicContact CB-CE2 4.36Å; L501-F530 HydrophobicContact CD2-CD2 3.98Å; L501-F530 HydrophobicContact CD2-CE2 3.75Å; L501-F530 HydrophobicContact CD2-CZ 4.33Å; L501-F530 HydrophobicContact CG-CD2 4.47Å; I526-F530 HydrophobicContact CG2-CB 3.67Å; I526-F530 HydrophobicContact CG2-CD1 3.3Å; I526-F530 HydrophobicContact CG2-CD2 4.46Å; I526-F530 HydrophobicContact CG2-CE1 4.06Å; I526-F530 HydrophobicContact CG2-CG 3.56Å; P527-F530 HydrophobicContact CG-CB 4.4Å; P527-F530 VanDerWaalsContact O-CB 3.29Å; P527-F530 WeakPolarHBondContact O-CB 3.38Å; P527-F530 PolarHBondContact O-N 3.45Å; E528-F530 VanDerWaalsContact C-N 3.26Å; E528-F530 PolarHBondContact O-N 2.66Å; F530-K532 VanDerWaalsContact C-N 3.3Å; F530-K532 PolarHBondContact O-N 3.27Å; F530-K533 PolarHBondContact O-N 3.28Å; F530-K533 VanDerWaalsContact O-N 3.15Å; F530-W534 AromaticContact CD2-CD1 3.73Å; F530-W534 AromaticContact CD2-NE1 3.98Å; F530-W534 AromaticContact CE2-CD1 3.45Å; F530-W534 VanDerWaalsContact CE2-CD1 3.45Å; F530-W534 HydrophobicContact CE2-CG 4.45Å; F530-W534 AromaticContact CE2-NE1 3.54Å; F530-W534 AromaticContact CZ-CD1 3.61Å; F530-W534 HydrophobicContact CZ-CG 4.25Å; F530-W534 PolarHBondContact O-N 3.16Å
531W95Very high94.3Very high32 Ų3269.3 Ų69.312%0.12135%0.348CS..Hα-helixtrans-57.8-44.6179-58.1132.8000111.5C522 I526 E528 S535 L536 V541C522-W531 HydrophobicContact CB-CH2 4.21Å; C522-W531 HydrophobicContact CB-CZ2 4.33Å; I526-W531 HydrophobicContact CB-CH2 4Å; I526-W531 HydrophobicContact CB-CZ2 3.36Å; I526-W531 HydrophobicContact CG1-CH2 4.05Å; I526-W531 HydrophobicContact CG1-CZ2 3.83Å; I526-W531 HydrophobicContact CG2-CD2 4.11Å; I526-W531 HydrophobicContact CG2-CE3 4.47Å; I526-W531 HydrophobicContact CG2-CH2 3.9Å; I526-W531 HydrophobicContact CG2-CZ2 3.51Å; I526-W531 HydrophobicContact CG2-CZ3 4.37Å; I526-W531 PolarHBondContact O-NE1 3.21Å; E528-W531 PolarHBondContact O-N 3.09Å; W531-S535 WeakPolarHBondContact O-CA 3.4Å; W531-S535 PolarHBondContact O-N 3.19Å; W531-L536 WeakPolarHBondContact CB-O 3.46Å; W531-L536 HydrophobicContact CE3-CB 4.29Å; W531-L536 PolarHBondContact O-N 3.42Å; W531-V541 HydrophobicContact CH2-CG2 3.57Å; W531-V541 HydrophobicContact CZ3-CG2 3.62Å
532K94.3Very high94.3Very high140 Ų14069.1 Ų69.161%0.60934%0.34SS*.Hα-helixtrans-63.5-44.5175.4-68.9174.7-176166.40112.4E528 F530 W534 S535E528-K532 PolarHBondContact O-N 2.95Å; E528-K532 WeakPolarHBondContact OE1-CE 3.44Å; E528-K532 IonicContact OE1-NZ 2.74Å; E528-K532 PolarHBondContact OE1-NZ 3.49Å; F530-K532 VanDerWaalsContact C-N 3.3Å; F530-K532 PolarHBondContact O-N 3.27Å; K532-W534 VanDerWaalsContact C-N 3.35Å; K532-W534 PolarHBondContact O-N 3.36Å; K532-S535 PolarHBondContact O-N 3.19Å
533K96Very high94.3Very high110 Ų11070.3 Ų70.348%0.47834%0.343SS..Hα-helixtrans-60.3-42.8-179.1179.8179179.4-176.20112.2D498 D500 I529 F530D498-K533 IonicContact OD1-NZ 2.88Å; D498-K533 PolarHBondContact OD1-NZ 3.15Å; D498-K533 WeakPolarHBondContact OD2-CD 3.3Å; D498-K533 WeakPolarHBondContact OD2-CE 3.14Å; D498-K533 IonicContact OD2-NZ 3.39Å; D498-K533 PolarHBondContact OD2-NZ 3.45Å; D500-K533 IonicContact OD2-NZ 3.49Å; D500-K533 PolarHBondContact OD2-NZ 3.24Å; I529-K533 WeakPolarHBondContact O-CB 3.45Å; I529-K533 PolarHBondContact O-N 3.11Å; F530-K533 PolarHBondContact O-N 3.28Å; F530-K533 VanDerWaalsContact O-N 3.15Å
534W95.2Very high94.4Very high84 Ų8465.4 Ų65.432%0.31832%0.317SS..Hα-helixtrans-94.8-6.9-176.9-70.397.5000114.2I496 D498 F530 K532 L536I496-W534 HydrophobicContact CG2-CD2 3.74Å; I496-W534 VanDerWaalsContact CG2-CE2 3.43Å; I496-W534 HydrophobicContact CG2-CE3 4.18Å; I496-W534 HydrophobicContact CG2-CG 4.25Å; I496-W534 HydrophobicContact CG2-CH2 4.04Å; I496-W534 HydrophobicContact CG2-CZ2 3.6Å; I496-W534 HydrophobicContact CG2-CZ3 4.32Å; D498-W534 PolarHBondContact OD2-NE1 3.03Å; F530-W534 AromaticContact CD2-CD1 3.73Å; F530-W534 AromaticContact CD2-NE1 3.98Å; F530-W534 AromaticContact CE2-CD1 3.45Å; F530-W534 VanDerWaalsContact CE2-CD1 3.45Å; F530-W534 HydrophobicContact CE2-CG 4.45Å; F530-W534 AromaticContact CE2-NE1 3.54Å; F530-W534 AromaticContact CZ-CD1 3.61Å; F530-W534 HydrophobicContact CZ-CG 4.25Å; F530-W534 PolarHBondContact O-N 3.16Å; K532-W534 VanDerWaalsContact C-N 3.35Å; K532-W534 PolarHBondContact O-N 3.36Å; W534-L536 VanDerWaalsContact C-N 3.32Å; W534-L536 HydrophobicContact CB-CB 4.46Å; W534-L536 HydrophobicContact CB-CD1 3.78Å; W534-L536 HydrophobicContact CB-CG 4Å
535S95.3Very high94.3Very high108 Ų10864.2 Ų64.276%0.75532%0.318SS*.THydrogen-bonded Turntrans53.549.7-173.1-56.40000111.7W531 K532W531-S535 WeakPolarHBondContact O-CA 3.4Å; W531-S535 PolarHBondContact O-N 3.19Å; K532-S535 PolarHBondContact O-N 3.19Å
536L94.4Very high94.3Very high27 Ų2764.7 Ų64.714%0.14132%0.321CS..  trans-129.1153.3-178.2-66.3173.3000110.3I496 W531 W534 D540 V541I496-L536 HydrophobicContact CD1-CD1 3.38Å; W531-L536 WeakPolarHBondContact CB-O 3.46Å; W531-L536 HydrophobicContact CE3-CB 4.29Å; W531-L536 PolarHBondContact O-N 3.42Å; W534-L536 VanDerWaalsContact C-N 3.32Å; W534-L536 HydrophobicContact CB-CB 4.46Å; W534-L536 HydrophobicContact CB-CD1 3.78Å; W534-L536 HydrophobicContact CB-CG 4Å; L536-D540 HydrophobicContact CB-CB 4.45Å; L536-D540 HydrophobicContact CD2-CB 3.93Å; L536-V541 HydrophobicContact CD1-CG1 3.9Å
537E93.1Very high94.4Very high118 Ų11864.5 Ų64.555%0.55132%0.319SS*.  trans-108165.9169.6-63.7-68.416100110.5H539 D540E537-H539 VanDerWaalsContact CB-CE1 3.42Å; E537-H539 WeakPolarHBondContact CB-CE1 3.38Å; E537-H539 PolarHBondContact O-N 3.35Å; E537-D540 PolarHBondContact N-OD2 3.46Å; E537-D540 WeakPolarHBondContact O-CB 3.48Å; E537-D540 PolarHBondContact O-N 3.46Å
538S92.5Very high94.5Very high25 Ų2563 Ų6318%0.17531%0.309CS..G310 helixtrans-61.5-28.8-17661.80000114.4D523 D540D523-S538 WeakPolarHBondContact OD1-CB 3.24Å; D523-S538 PolarHBondContact OD1-OG 3.33Å; D523-S538 PolarHBondContact OD2-OG 3.09Å; S538-D540 VanDerWaalsContact C-N 3.31Å
539H93.3Very high94.5Very high128 Ų12856.7 Ų56.759%0.59328%0.28SS*.G310 helixtrans-75-18.717764.6-89.6000113.1R490 E537 V541R490-H539 WeakPolarHBondContact CD-O 3.41Å; R490-H539 PolarHBondContact NE-O 3.31Å; E537-H539 VanDerWaalsContact CB-CE1 3.42Å; E537-H539 WeakPolarHBondContact CB-CE1 3.38Å; E537-H539 PolarHBondContact O-N 3.35Å; H539-V541 PolarHBondContact O-N 3.47Å
540D95.1Very high94.4Very high56 Ų5651 Ų5130%0.29925%0.251SS..G310 helixtrans-75.5-14.9178-63.3-45.8000112.7R490 L536 E537 S538R490-D540 PolarHBondContact N-O 2.92Å; L536-D540 HydrophobicContact CB-CB 4.45Å; L536-D540 HydrophobicContact CD2-CB 3.93Å; E537-D540 PolarHBondContact N-OD2 3.46Å; E537-D540 WeakPolarHBondContact O-CB 3.48Å; E537-D540 PolarHBondContact O-N 3.46Å; S538-D540 VanDerWaalsContact C-N 3.31Å
541V96.4Very high94.3Very high0 Ų052.2 Ų52.20%026%0.256CS..EExtended strand (participates in β ladder)trans-127.6166-172.4-59.60000113.3L487 F488 R490 I496 W531 L536 H539L487-V541 HydrophobicContact CD1-CG2 4.25Å; F488-V541 CarbonylContact O-C 3.33Å; F488-V541 WeakPolarHBondContact O-CA 3.48Å; F488-V541 WeakPolarHBondContact O-CB 3.37Å; R490-V541 PolarHBondContact NE-O 3.47Å; R490-V541 VanDerWaalsContact NE-O 3.09Å; R490-V541 PolarHBondContact NH2-O 2.92Å; I496-V541 HydrophobicContact CD1-CG1 3.92Å; W531-V541 HydrophobicContact CH2-CG2 3.57Å; W531-V541 HydrophobicContact CZ3-CG2 3.62Å; L536-V541 HydrophobicContact CD1-CG1 3.9Å; H539-V541 PolarHBondContact O-N 3.47Å
542Y94.6Very high94.3Very high68 Ų6850.7 Ų50.727%0.26725%0.25SC..EExtended strand (participates in β ladder)trans-141.115116465.1-82.5000110.4F488 R490 Y493F488-Y542 HydrophobicContact CB-CD1 3.92Å; F488-Y542 HydrophobicContact CB-CD2 4.26Å; F488-Y542 HydrophobicContact CB-CE1 3.39Å; F488-Y542 HydrophobicContact CB-CE2 3.75Å; F488-Y542 HydrophobicContact CB-CG 4.33Å; F488-Y542 WeakPolarHBondContact CB-OH 3.5Å; F488-Y542 HydrophobicContact CD2-CD2 4.21Å; F488-Y542 AromaticContact CD2-CE2 3.66Å; F488-Y542 HydrophobicContact CD2-CE2 3.66Å; F488-Y542 AromaticContact CD2-CZ 4Å; F488-Y542 HydrophobicContact CG-CE1 4.36Å; F488-Y542 AromaticContact CG-CE2 3.93Å; F488-Y542 HydrophobicContact CG-CE2 3.93Å; F488-Y542 AromaticContact CG-CZ 3.76Å; F488-Y542 PolarHBondContact N-O 2.95Å; F488-Y542 PolarHBondContact O-N 3.05Å; R490-Y542 HydrophobicContact CG-CD1 3.83Å; R490-Y542 HydrophobicContact CG-CE1 4.5Å; Y493-Y542 HydrophobicContact CD1-CE1 4.09Å; Y493-Y542 WeakPolarHBondContact CD1-OH 3.48Å
543K94.4Very high94.4Very high44 Ų4444 Ų4419%0.19122%0.221CC..EExtended strand (participates in β ladder)trans-77.2146.1178.561.5-174.2-178.1178.50111.7L487 W517 F518 E520 L525L487-K543 HydrophobicContact CD2-CB 4.03Å; W517-K543 HydrophobicContact CH2-CB 4.45Å; W517-K543 HydrophobicContact CZ2-CB 3.88Å; W517-K543 VanDerWaalsContact O-CD 3.3Å; W517-K543 WeakPolarHBondContact O-CD 3.28Å; W517-K543 VanDerWaalsContact O-CE 3.29Å; W517-K543 WeakPolarHBondContact O-CE 3.38Å; W517-K543 PolarHBondContact O-NZ 2.93Å; F518-K543 PolarHBondContact O-NZ 3.13Å; E520-K543 PolarHBondContact O-NZ 2.98Å; L525-K543 HydrophobicContact CD1-CD 3.94Å
544S94.2Very high94.4Very high2 Ų239 Ų391%0.01420%0.199CC..  trans-56.5137.6168.7-172.40000111.5I484 V486 W517 E546I484-S544 VanDerWaalsContact O-CB 3.24Å; I484-S544 WeakPolarHBondContact O-CB 3.34Å; V486-S544 VanDerWaalsContact O-CB 3.31Å; V486-S544 WeakPolarHBondContact O-CB 3.46Å; V486-S544 PolarHBondContact O-N 2.89Å; W517-S544 PolarHBondContact NE1-O 3.14Å; S544-E546 WeakPolarHBondContact OG-CB 3.24Å; S544-E546 PolarHBondContact OG-N 3.37Å; S544-E546 VanDerWaalsContact OG-N 3.1Å
545T91.1Very high94.4Very high98 Ų9835 Ų3560%0.60118%0.184SC*.  trans-100.72.2168.155.50000112
546E94.5Very high94.5Very high12 Ų1229.8 Ų29.86%0.05615%0.148CC..  trans-79.9139.2-178.4-53174126.600110.2R191 W433 R476 I484 S544R191-E546 IonicContact CZ-OE2 3.2Å; R191-E546 IonicContact NH1-OE1 2.66Å; R191-E546 IonicContact NH1-OE2 3.72Å; R191-E546 PolarHBondContact NH1-OE2 3.2Å; R191-E546 IonicContact NH2-OE1 2.84Å; R191-E546 IonicContact NH2-OE2 3.81Å; W433-E546 VanDerWaalsContact CD1-OE2 3.26Å; W433-E546 PolarHBondContact NE1-OE2 3.03Å; W433-E546 VanDerWaalsContact NE1-OE2 3.11Å; R476-E546 WeakPolarHBondContact O-CA 3.25Å; I484-E546 HydrophobicContact CD1-CB 4.1Å; I484-E546 HydrophobicContact CG1-CB 4.42Å; I484-E546 PolarHBondContact N-O 3.1Å; S544-E546 WeakPolarHBondContact OG-CB 3.24Å; S544-E546 PolarHBondContact OG-N 3.37Å; S544-E546 VanDerWaalsContact OG-N 3.1Å
547V95.9Very high94.7Very high2 Ų228.5 Ų28.51%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-111.4161.9170.7-61.90000110.8S475 R476 R478 V482 F518S475-V547 CarbonylContact C-O 3.53Å; S475-V547 WeakPolarHBondContact CA-O 3.48Å; R476-V547 HydrophobicContact CB-CG2 4.05Å; R476-V547 PolarHBondContact N-O 3.18Å; R476-V547 PolarHBondContact O-N 2.93Å; R478-V547 HydrophobicContact CB-CG2 3.88Å; R478-V547 WeakPolarHBondContact O-CG1 3.43Å; V482-V547 CarbonylContact O-C 3.57Å; V482-V547 WeakPolarHBondContact O-CA 3.48Å; V482-V547 WeakPolarHBondContact O-CB 3.22Å; F518-V547 HydrophobicContact CZ-CG1 3.81Å
548F95.8Very high94.8Very high5 Ų523.1 Ų23.12%0.02212%0.116CC..EExtended strand (participates in β ladder)trans-67.4150.6174.3-70.2-56.5000113L177 F180 I474 V482 I484 F552L177-F548 HydrophobicContact CD2-CE2 3.87Å; F180-F548 HydrophobicContact CB-CE1 4.38Å; F180-F548 HydrophobicContact CB-CE2 4.47Å; F180-F548 HydrophobicContact CB-CZ 3.68Å; F180-F548 HydrophobicContact CD1-CZ 4.48Å; F180-F548 AromaticContact CD2-CE1 3.57Å; F180-F548 HydrophobicContact CD2-CE1 3.57Å; F180-F548 AromaticContact CD2-CZ 3.56Å; F180-F548 HydrophobicContact CD2-CZ 3.56Å; F180-F548 HydrophobicContact CE2-CE1 4.13Å; F180-F548 HydrophobicContact CE2-CZ 4.32Å; F180-F548 HydrophobicContact CG-CE1 4.16Å; F180-F548 AromaticContact CG-CZ 3.66Å; F180-F548 HydrophobicContact CG-CZ 3.66Å; I474-F548 HydrophobicContact CD1-CD1 4.43Å; I474-F548 HydrophobicContact CD1-CE1 4.25Å; I474-F548 CarbonylContact O-C 3.57Å; I474-F548 VanDerWaalsContact O-CA 3.32Å; I474-F548 WeakPolarHBondContact O-CA 3.37Å; V482-F548 HydrophobicContact CB-CD2 3.99Å; V482-F548 HydrophobicContact CG1-CD2 4.01Å; V482-F548 HydrophobicContact CG1-CE2 4.3Å; V482-F548 PolarHBondContact O-N 3.08Å; I484-F548 HydrophobicContact CB-CE1 4.47Å; I484-F548 HydrophobicContact CB-CZ 4.42Å; I484-F548 HydrophobicContact CD1-CD1 3.95Å; I484-F548 HydrophobicContact CD1-CE1 3.86Å; I484-F548 HydrophobicContact CG1-CD1 3.79Å; I484-F548 HydrophobicContact CG1-CE1 3.58Å; I484-F548 HydrophobicContact CG1-CE2 4.39Å; I484-F548 HydrophobicContact CG1-CG 4.28Å; I484-F548 HydrophobicContact CG1-CZ 3.89Å; I484-F548 HydrophobicContact CG2-CE1 4.46Å; I484-F548 HydrophobicContact CG2-CZ 4.42Å; F548-F552 HydrophobicContact CB-CB 4.32Å; F548-F552 HydrophobicContact CB-CD1 4.02Å; F548-F552 HydrophobicContact CB-CG 4.49Å; F548-F552 AromaticContact CD1-CD1 3.78Å; F548-F552 HydrophobicContact CD1-CD1 3.78Å; F548-F552 AromaticContact CD1-CE1 3.96Å; F548-F552 HydrophobicContact CD1-CE1 3.96Å; F548-F552 HydrophobicContact CD1-CG 4.27Å; F548-F552 HydrophobicContact CD2-CD1 4.08Å; F548-F552 HydrophobicContact CD2-CE1 4.17Å; F548-F552 HydrophobicContact CE1-CD1 4.29Å; F548-F552 AromaticContact CE1-CE1 3.98Å; F548-F552 HydrophobicContact CE1-CE1 3.98Å; F548-F552 HydrophobicContact CE1-CZ 4.37Å; F548-F552 HydrophobicContact CE2-CE1 4.21Å; F548-F552 AromaticContact CG-CD1 3.69Å; F548-F552 HydrophobicContact CG-CD1 3.69Å; F548-F552 HydrophobicContact CG-CE1 4.08Å; F548-F552 HydrophobicContact CG-CG 4.42Å; F548-F552 HydrophobicContact CZ-CE1 4.13Å
549D92.8Very high94.9Very high1 Ų123.9 Ų23.91%0.00512%0.118CC..  trans-63.7138.3165.7177.331.1000110.5W472 I474 R476 W551 F552 D553W472-D549 PolarHBondContact NE1-OD2 3.06Å; I474-D549 PolarHBondContact O-N 2.72Å; R476-D549 IonicContact CZ-OD1 3.95Å; R476-D549 IonicContact NE-OD1 3.05Å; R476-D549 IonicContact NH2-OD1 2.65Å; R476-D549 PolarHBondContact NH2-OD1 3.49Å; R476-D549 IonicContact NH2-OD2 3.71Å; R476-D549 PolarHBondContact NH2-OD2 3.03Å; D549-W551 PolarHBondContact O-N 3.21Å; D549-W551 VanDerWaalsContact O-N 3.09Å; D549-F552 HydrophobicContact CB-CB 4.48Å; D549-F552 WeakPolarHBondContact O-CA 3.34Å; D549-F552 WeakPolarHBondContact O-CB 3.49Å; D549-F552 PolarHBondContact O-N 3.45Å; D549-D553 PolarHBondContact O-N 2.84Å
550V92.7Very high95Very high7 Ų717.8 Ų17.84%0.0429%0.09CC..Hα-helixtrans-58.1-27.3178.8-68.80000114.1Y74 H113 G114 F552 S554Y74-V550 VanDerWaalsContact OH-CB 3.3Å; Y74-V550 WeakPolarHBondContact OH-CB 3.33Å; Y74-V550 WeakPolarHBondContact OH-CG2 3.15Å; H113-V550 HydrophobicContact CB-CG1 4.44Å; G114-V550 VanDerWaalsContact CA-CG1 3.43Å; V550-F552 VanDerWaalsContact C-N 3.27Å; V550-S554 PolarHBondContact O-N 3.37Å; V550-S554 PolarHBondContact O-OG 3.4Å
551W93.3Very high95Very high30 Ų3015.1 Ų15.111%0.1148%0.075CC..Hα-helixtrans-72.9-22.1173.7-62.3110.8000112.6S209 W472 D549 S554 G555 G589 W590 A593S209-W551 PolarHBondContact OG-NE1 2.94Å; W472-W551 HydrophobicContact CH2-CB 4.35Å; W472-W551 HydrophobicContact CZ2-CB 3.62Å; D549-W551 PolarHBondContact O-N 3.21Å; D549-W551 VanDerWaalsContact O-N 3.09Å; W551-S554 WeakPolarHBondContact CA-OG 3.47Å; W551-G555 VanDerWaalsContact O-CA 3.25Å; W551-G555 WeakPolarHBondContact O-CA 3.49Å; W551-G555 PolarHBondContact O-N 3.22Å; W551-G589 VanDerWaalsContact CZ3-CA 3.41Å; W551-W590 HydrophobicContact CZ3-CB 4.12Å; W551-A593 HydrophobicContact CB-CB 4.27Å; W551-A593 WeakPolarHBondContact O-CB 3.21Å
552F95.8Very high94.8Very high0 Ų015.3 Ų15.30%08%0.076CC..Hα-helixtrans-70.4-50.4171.7-168.6-98.1000109.6L183 I189 W472 I474 F548 D549 V550 G555 L556 L597L183-F552 HydrophobicContact CD1-CE2 3.97Å; L183-F552 HydrophobicContact CD1-CZ 4.03Å; I189-F552 HydrophobicContact CD1-CE2 4.31Å; I189-F552 HydrophobicContact CD1-CZ 4.45Å; W472-F552 HydrophobicContact CH2-CB 4.34Å; W472-F552 HydrophobicContact CH2-CD2 4.36Å; W472-F552 HydrophobicContact CZ2-CB 4.24Å; I474-F552 HydrophobicContact CB-CD2 4.33Å; I474-F552 HydrophobicContact CD1-CD2 4.35Å; I474-F552 HydrophobicContact CD1-CE2 4.15Å; I474-F552 HydrophobicContact CG2-CD2 3.88Å; F548-F552 HydrophobicContact CB-CB 4.32Å; F548-F552 HydrophobicContact CB-CD1 4.02Å; F548-F552 HydrophobicContact CB-CG 4.49Å; F548-F552 AromaticContact CD1-CD1 3.78Å; F548-F552 HydrophobicContact CD1-CD1 3.78Å; F548-F552 AromaticContact CD1-CE1 3.96Å; F548-F552 HydrophobicContact CD1-CE1 3.96Å; F548-F552 HydrophobicContact CD1-CG 4.27Å; F548-F552 HydrophobicContact CD2-CD1 4.08Å; F548-F552 HydrophobicContact CD2-CE1 4.17Å; F548-F552 HydrophobicContact CE1-CD1 4.29Å; F548-F552 AromaticContact CE1-CE1 3.98Å; F548-F552 HydrophobicContact CE1-CE1 3.98Å; F548-F552 HydrophobicContact CE1-CZ 4.37Å; F548-F552 HydrophobicContact CE2-CE1 4.21Å; F548-F552 AromaticContact CG-CD1 3.69Å; F548-F552 HydrophobicContact CG-CD1 3.69Å; F548-F552 HydrophobicContact CG-CE1 4.08Å; F548-F552 HydrophobicContact CG-CG 4.42Å; F548-F552 HydrophobicContact CZ-CE1 4.13Å; D549-F552 HydrophobicContact CB-CB 4.48Å; D549-F552 WeakPolarHBondContact O-CA 3.34Å; D549-F552 WeakPolarHBondContact O-CB 3.49Å; D549-F552 PolarHBondContact O-N 3.45Å; V550-F552 VanDerWaalsContact C-N 3.27Å; F552-G555 PolarHBondContact O-N 3.16Å; F552-L556 HydrophobicContact CD1-CD1 3.89Å; F552-L556 HydrophobicContact CE1-CD1 3.46Å; F552-L556 VanDerWaalsContact CE1-CD1 3.46Å; F552-L556 HydrophobicContact CZ-CD1 3.83Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 3.25Å; F552-L597 HydrophobicContact CD2-CD1 4.12Å; F552-L597 HydrophobicContact CD2-CD2 4.02Å; F552-L597 HydrophobicContact CE2-CD1 4.45Å; F552-L597 HydrophobicContact CE2-CD2 3.76Å
553D95.5Very high94.5Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-55.6-60.8177.3-57.218.2000111.3H113 T167 E176 D549 G555 L556 S557H113-D553 WeakPolarHBondContact CB-OD2 3.3Å; H113-D553 IonicContact CE1-OD2 2.66Å; H113-D553 IonicContact CG-OD2 3.79Å; H113-D553 IonicContact ND1-OD2 3.15Å; H113-D553 PolarHBondContact ND1-OD2 3.2Å; T167-D553 HydrophobicContact CG2-CB 4.09Å; E176-D553 WeakPolarHBondContact OE1-CA 3.37Å; E176-D553 VanDerWaalsContact OE1-CB 3.22Å; E176-D553 WeakPolarHBondContact OE1-CB 3.29Å; D549-D553 PolarHBondContact O-N 2.84Å; D553-G555 VanDerWaalsContact C-N 3.27Å; D553-G555 PolarHBondContact O-N 3.48Å; D553-L556 PolarHBondContact O-N 2.93Å; D553-L556 VanDerWaalsContact O-N 3.13Å; D553-S557 PolarHBondContact O-N 2.65Å
554S95.9Very high94.2Very high3 Ų311.5 Ų11.52%0.0216%0.063CC..Hα-helixtrans-63.1-35.8179.859.10000111.6V550 W551 L556 S557 W590V550-S554 PolarHBondContact O-N 3.37Å; V550-S554 PolarHBondContact O-OG 3.4Å; W551-S554 WeakPolarHBondContact CA-OG 3.47Å; S554-L556 VanDerWaalsContact C-N 3.27Å; S554-L556 PolarHBondContact O-N 3.07Å; S554-S557 VanDerWaalsContact O-CB 3.23Å; S554-S557 WeakPolarHBondContact O-CB 3.39Å; S554-S557 PolarHBondContact O-N 2.89Å; S554-S557 VanDerWaalsContact O-N 3.11Å; S554-S557 PolarHBondContact O-OG 3.04Å; S554-W590 VanDerWaalsContact O-CD1 3.31Å; S554-W590 PolarHBondContact O-NE1 3.24Å
555G96.6Very high93.9Very high0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-59.1-34.1175.800000113.4W551 F552 D553 W558 S594W551-G555 VanDerWaalsContact O-CA 3.25Å; W551-G555 WeakPolarHBondContact O-CA 3.49Å; W551-G555 PolarHBondContact O-N 3.22Å; F552-G555 PolarHBondContact O-N 3.16Å; D553-G555 VanDerWaalsContact C-N 3.27Å; D553-G555 PolarHBondContact O-N 3.48Å; G555-W558 PolarHBondContact O-NE1 3.21Å; G555-W558 VanDerWaalsContact O-NE1 3.13Å; G555-S594 WeakPolarHBondContact CA-OG 3.24Å; G555-S594 VanDerWaalsContact O-CA 3.32Å; G555-S594 WeakPolarHBondContact O-CA 3.33Å; G555-S594 PolarHBondContact O-OG 2.82Å
556L97.3Very high93.7Very high0 Ų016.2 Ų16.20%09%0.092CC..THydrogen-bonded Turntrans-86.6-2.4177.2-69.6175.9000114.5E176 A179 F552 D553 S554 W558 L559 C560 L597 L601E176-L556 HydrophobicContact CB-CD1 4.16Å; E176-L556 HydrophobicContact CG-CD1 3.98Å; A179-L556 HydrophobicContact CB-CD1 3.67Å; A179-L556 HydrophobicContact CB-CD2 4.01Å; F552-L556 HydrophobicContact CD1-CD1 3.89Å; F552-L556 HydrophobicContact CE1-CD1 3.46Å; F552-L556 VanDerWaalsContact CE1-CD1 3.46Å; F552-L556 HydrophobicContact CZ-CD1 3.83Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 3.25Å; D553-L556 PolarHBondContact O-N 2.93Å; D553-L556 VanDerWaalsContact O-N 3.13Å; S554-L556 VanDerWaalsContact C-N 3.27Å; S554-L556 PolarHBondContact O-N 3.07Å; L556-W558 PolarHBondContact O-N 2.61Å; L556-L559 HydrophobicContact CD2-CD2 4.39Å; L556-L559 WeakPolarHBondContact O-CA 3.47Å; L556-L559 WeakPolarHBondContact O-CB 3.45Å; L556-L559 PolarHBondContact O-N 3.44Å; L556-C560 PolarHBondContact O-N 3.46Å; L556-C560 PolarHBondContact O-SG 2.87Å; L556-L597 HydrophobicContact CD2-CB 4.05Å; L556-L597 HydrophobicContact CD2-CD1 3.95Å; L556-L597 HydrophobicContact CD2-CG 4.48Å; L556-L597 HydrophobicContact CG-CD1 3.91Å; L556-L601 HydrophobicContact CD2-CD1 3.85Å
557S97.3Very high93.4Very high0 Ų016.7 Ų16.70%09%0.094CC..Hα-helixtrans-53.7-30.1-178.359.80000114.6H69 D553 S554 L559 V561 W590H69-S557 WeakPolarHBondContact NE2-CB 3.3Å; H69-S557 PolarHBondContact NE2-OG 2.69Å; D553-S557 PolarHBondContact O-N 2.65Å; S554-S557 VanDerWaalsContact O-CB 3.23Å; S554-S557 WeakPolarHBondContact O-CB 3.39Å; S554-S557 PolarHBondContact O-N 2.89Å; S554-S557 VanDerWaalsContact O-N 3.11Å; S554-S557 PolarHBondContact O-OG 3.04Å; S557-L559 VanDerWaalsContact C-N 3.31Å; S557-L559 PolarHBondContact O-N 2.95Å; S557-V561 WeakPolarHBondContact O-CA 3.15Å; S557-V561 WeakPolarHBondContact O-CB 3.41Å; S557-V561 WeakPolarHBondContact O-CG2 3.35Å; S557-V561 PolarHBondContact O-N 3.38Å; S557-W590 PolarHBondContact OG-NE1 2.88Å
558W95.9Very high92.8Very high4 Ų416.8 Ų16.82%0.01510%0.095CC..Iπ-helixtrans-67.2-32.2174.363.7-90.6000113G555 L556 I562 N563 Y580 L601 T602 P606G555-W558 PolarHBondContact O-NE1 3.21Å; G555-W558 VanDerWaalsContact O-NE1 3.13Å; L556-W558 PolarHBondContact O-N 2.61Å; W558-I562 HydrophobicContact CB-CD1 4.33Å; W558-I562 WeakPolarHBondContact O-CB 3.36Å; W558-I562 PolarHBondContact O-N 3.21Å; W558-N563 PolarHBondContact O-N 2.96Å; W558-N563 PolarHBondContact O-ND2 2.9Å; W558-Y580 WeakPolarHBondContact CB-OH 3.33Å; W558-L601 HydrophobicContact CH2-CB 4.22Å; W558-L601 HydrophobicContact CH2-CD1 4.27Å; W558-L601 HydrophobicContact CZ2-CB 4.48Å; W558-L601 HydrophobicContact CZ2-CD1 4.08Å; W558-T602 HydrophobicContact CH2-CG2 3.71Å; W558-T602 HydrophobicContact CZ3-CG2 3.93Å; W558-P606 HydrophobicContact CB-CB 3.97Å; W558-P606 HydrophobicContact CD2-CB 3.92Å; W558-P606 HydrophobicContact CG-CB 3.57Å; W558-P606 HydrophobicContact CG-CG 4.44Å
559L95.4Very high91.9Very high42 Ų4222.4 Ų22.422%0.2212%0.115CC..Iπ-helixtrans-75.9-50.2175.1-177.866.2000109.6V175 A179 L556 S557 V561 N563 L601V175-L559 HydrophobicContact CG1-CD2 3.82Å; V175-L559 HydrophobicContact CG1-CG 3.82Å; A179-L559 HydrophobicContact CB-CD2 3.98Å; L556-L559 HydrophobicContact CD2-CD2 4.39Å; L556-L559 WeakPolarHBondContact O-CA 3.47Å; L556-L559 WeakPolarHBondContact O-CB 3.45Å; L556-L559 PolarHBondContact O-N 3.44Å; S557-L559 VanDerWaalsContact C-N 3.31Å; S557-L559 PolarHBondContact O-N 2.95Å; L559-V561 VanDerWaalsContact C-N 3.31Å; L559-V561 PolarHBondContact O-N 3.11Å; L559-N563 HydrophobicContact CD1-CB 4.36Å; L559-N563 CarbonylContact O-C 3.55Å; L559-L601 HydrophobicContact CD2-CD1 3.91Å
560C95.1Very high91.2Very high0 Ų023 Ų230%012%0.118CC..Iπ-helixtrans-69.6-25-175-57.90000113.7F172 V175 L556 S564 Y567F172-C560 HydrophobicContact CD1-CB 3.97Å; F172-C560 HydrophobicContact CD2-CB 3.38Å; F172-C560 HydrophobicContact CE1-CB 3.92Å; F172-C560 HydrophobicContact CE2-CB 3.37Å; F172-C560 HydrophobicContact CG-CB 3.7Å; F172-C560 HydrophobicContact CZ-CB 3.64Å; V175-C560 HydrophobicContact CG1-CB 4.49Å; L556-C560 PolarHBondContact O-N 3.46Å; L556-C560 PolarHBondContact O-SG 2.87Å; C560-S564 WeakPolarHBondContact O-CB 3.47Å; C560-S564 PolarHBondContact O-OG 3.41Å; C560-Y567 WeakPolarHBondContact O-CD2 3.3Å; C560-Y567 VanDerWaalsContact O-CE2 3.3Å; C560-Y567 WeakPolarHBondContact O-CE2 3.41Å
561V94.9Very high90.1Very high0 Ų027.6 Ų27.60%015%0.149CC..Iπ-helixtrans-114.3-62.3-174.2-174.40000111.5I107 Y165 F172 S557 L559 S564 Y567 S568I107-V561 HydrophobicContact CB-CG1 4.01Å; I107-V561 HydrophobicContact CD1-CG1 3.9Å; I107-V561 HydrophobicContact CG2-CG1 3.92Å; Y165-V561 HydrophobicContact CD1-CB 4.27Å; Y165-V561 HydrophobicContact CD1-CG1 3.72Å; Y165-V561 HydrophobicContact CD1-CG2 3.56Å; Y165-V561 HydrophobicContact CD2-CG2 3.64Å; Y165-V561 HydrophobicContact CE1-CG1 4.21Å; Y165-V561 HydrophobicContact CE1-CG2 3.94Å; Y165-V561 HydrophobicContact CE2-CG2 4.02Å; Y165-V561 HydrophobicContact CG-CB 4.48Å; Y165-V561 HydrophobicContact CG-CG1 4.25Å; Y165-V561 HydrophobicContact CG-CG2 3.38Å; F172-V561 HydrophobicContact CD2-CG2 4.24Å; F172-V561 HydrophobicContact CE2-CG2 3.79Å; S557-V561 WeakPolarHBondContact O-CA 3.15Å; S557-V561 WeakPolarHBondContact O-CB 3.41Å; S557-V561 WeakPolarHBondContact O-CG2 3.35Å; S557-V561 PolarHBondContact O-N 3.38Å; L559-V561 VanDerWaalsContact C-N 3.31Å; L559-V561 PolarHBondContact O-N 3.11Å; V561-S564 PolarHBondContact O-N 3.29Å; V561-Y567 HydrophobicContact CB-CD2 4.5Å; V561-Y567 HydrophobicContact CG1-CG 4.28Å; V561-Y567 HydrophobicContact CG2-CD2 4.43Å; V561-S568 WeakPolarHBondContact O-CB 3.47Å
562I92.1Very high88.7Confident3 Ų328.9 Ų28.92%0.01516%0.162CC..Iπ-helixtrans-67.7-45.5-175.3-61.5166.5000109.5I67 H69 W558 S564 S568 R575 A577I67-I562 HydrophobicContact CD1-CG2 4.17Å; I67-I562 HydrophobicContact CG2-CD1 3.98Å; I67-I562 HydrophobicContact CG2-CG1 4.19Å; I67-I562 HydrophobicContact CG2-CG2 4.36Å; H69-I562 HydrophobicContact CB-CD1 3.7Å; H69-I562 VanDerWaalsContact CG-CD1 3.45Å; H69-I562 WeakPolarHBondContact ND1-CD1 3.45Å; W558-I562 HydrophobicContact CB-CD1 4.33Å; W558-I562 WeakPolarHBondContact O-CB 3.36Å; W558-I562 PolarHBondContact O-N 3.21Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 3.3Å; I562-S568 WeakPolarHBondContact O-CB 3.24Å; I562-R575 HydrophobicContact CG2-CB 3.82Å; I562-R575 PolarHBondContact O-NH1 3.08Å; I562-R575 VanDerWaalsContact O-NH1 3.14Å; I562-R575 PolarHBondContact O-NH2 2.7Å; I562-A577 HydrophobicContact CD1-CB 3.89Å
563N88.8Confident87.3Confident23 Ų2333.5 Ų33.512%0.12319%0.194CC..THydrogen-bonded Turntrans-90.822.1-178.6-71.3-74.5000114.2W558 L559 N574 R575W558-N563 PolarHBondContact O-N 2.96Å; W558-N563 PolarHBondContact O-ND2 2.9Å; L559-N563 HydrophobicContact CD1-CB 4.36Å; L559-N563 CarbonylContact O-C 3.55Å; N563-N574 PolarHBondContact OD1-N 2.93Å; N563-N574 VanDerWaalsContact OD1-N 3.16Å; N563-R575 PolarHBondContact ND2-O 3.4Å; N563-R575 VanDerWaalsContact ND2-O 3.12Å; N563-R575 PolarHBondContact OD1-N 2.92Å
564S88.3Confident86.4Confident9 Ų938.9 Ų38.96%0.06322%0.223CC..  trans-121.7131-177.5177.10000111.6C560 V561 I562 N566 Y567 S568 C572C560-S564 WeakPolarHBondContact O-CB 3.47Å; C560-S564 PolarHBondContact O-OG 3.41Å; V561-S564 PolarHBondContact O-N 3.29Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 3.3Å; S564-N566 PolarHBondContact O-N 2.98Å; S564-N566 PolarHBondContact OG-N 3.02Å; S564-N566 PolarHBondContact OG-ND2 3.43Å; S564-Y567 PolarHBondContact O-N 3.34Å; S564-S568 WeakPolarHBondContact O-CB 3.31Å; S564-S568 PolarHBondContact O-N 3.06Å; S564-C572 VanDerWaalsContact C-SG 3.6Å
565S88.1Confident86Confident98 Ų9840.7 Ų40.769%0.68523%0.229SC*.THydrogen-bonded Turntrans-71.1-11.6175.152.60000113.1Y567 C572S565-Y567 VanDerWaalsContact C-N 3.29Å; S565-C572 PolarHBondContact N-SG 3.33Å; S565-C572 VanDerWaalsContact N-SG 3.37Å
566N86.8Confident85.9Confident102 Ų10242.4 Ų42.455%0.54524%0.24SC..THydrogen-bonded Turntrans-71.1-26.9175.9-65.7-56.1000112.4C171 S564C171-N566 HydrophobicContact CB-CB 4.34Å; C171-N566 WeakPolarHBondContact CB-ND2 3.45Å; S564-N566 PolarHBondContact O-N 2.98Å; S564-N566 PolarHBondContact OG-N 3.02Å; S564-N566 PolarHBondContact OG-ND2 3.43Å
567Y88Confident85.9Confident22 Ų2242.4 Ų42.49%0.08624%0.24CC..THydrogen-bonded Turntrans-121-54-176.5-58.4-77.6000112Y165 D169 C171 C560 V561 S564 S565Y165-Y567 VanDerWaalsContact CA-CE1 3.5Å; D169-Y567 WeakPolarHBondContact CB-OH 3.35Å; D169-Y567 VanDerWaalsContact CG-OH 3.26Å; D169-Y567 WeakPolarHBondContact OD2-CE1 3.16Å; D169-Y567 PolarHBondContact OD2-OH 3.41Å; C171-Y567 PolarHBondContact SG-OH 3.44Å; C171-Y567 VanDerWaalsContact SG-OH 3.35Å; C560-Y567 WeakPolarHBondContact O-CD2 3.3Å; C560-Y567 VanDerWaalsContact O-CE2 3.3Å; C560-Y567 WeakPolarHBondContact O-CE2 3.41Å; V561-Y567 HydrophobicContact CB-CD2 4.5Å; V561-Y567 HydrophobicContact CG1-CG 4.28Å; V561-Y567 HydrophobicContact CG2-CD2 4.43Å; S564-Y567 PolarHBondContact O-N 3.34Å; S565-Y567 VanDerWaalsContact C-N 3.29Å
568S82.2Confident85.9Confident4 Ų443.7 Ų43.73%0.02825%0.246CC..  trans-79136.8-178160.90000110.6E105 V561 I562 S564 L570 R575E105-S568 PolarHBondContact OE1-OG 3.23Å; E105-S568 PolarHBondContact OE2-OG 3.11Å; V561-S568 WeakPolarHBondContact O-CB 3.47Å; I562-S568 WeakPolarHBondContact O-CB 3.24Å; S564-S568 WeakPolarHBondContact O-CB 3.31Å; S564-S568 PolarHBondContact O-N 3.06Å; S568-L570 PolarHBondContact OG-N 3.41Å; S568-L570 VanDerWaalsContact OG-N 3.1Å; S568-R575 PolarHBondContact OG-NH1 3.15Å; S568-R575 PolarHBondContact OG-NH2 3.22Å
569R78.1Confident86Confident122 Ų12243.9 Ų43.946%0.4625%0.248SC..  trans-86.6-12.3174.8-62.6-175.4-173.5161.28.4113N55 E105N55-R569 PolarHBondContact OD1-NH2 3Å; E105-R569 PolarHBondContact OE2-N 3.32Å
570L77.6Confident86.1Confident13 Ų1341.9 Ų41.97%0.06824%0.237CC..SBendtrans-79.5154.1-179.5-45.4-178.5000110.9K65 I67 S568 C572 R575K65-L570 HydrophobicContact CD-CD1 3.85Å; K65-L570 HydrophobicContact CD-CD2 3.52Å; K65-L570 HydrophobicContact CD-CG 4.29Å; I67-L570 HydrophobicContact CD1-CD1 4.1Å; I67-L570 HydrophobicContact CG1-CD1 4.34Å; S568-L570 PolarHBondContact OG-N 3.41Å; S568-L570 VanDerWaalsContact OG-N 3.1Å; L570-C572 PolarHBondContact O-N 3.5Å; L570-R575 PolarHBondContact O-NH2 3.12Å
571P70Confident86.3Confident105 Ų10541.9 Ų41.968%0.68224%0.237SC*.  trans-52.8138.6176.6-25.633.9000112.6R575P571-R575 PolarHBondContact O-NE 2.92Å; P571-R575 PolarHBondContact O-NH2 3.37Å
572C63.7Low86.4Confident57 Ų5742.7 Ų42.739%0.38524%0.241SC..  trans-98.7103.2-171.3-62.40000110.9S564 S565 L570S564-C572 VanDerWaalsContact C-SG 3.6Å; S565-C572 PolarHBondContact N-SG 3.33Å; S565-C572 VanDerWaalsContact N-SG 3.37Å; L570-C572 PolarHBondContact O-N 3.5Å
573S66.6Low86.6Confident96 Ų9642.9 Ų42.967%0.67124%0.244SC*.SBendtrans-172.4132.214655.50000110.3R575S573-R575 VanDerWaalsContact C-N 3.26Å; S573-R575 PolarHBondContact O-N 3.32Å; S573-R575 VanDerWaalsContact O-N 3.08Å
574N74.9Confident86.8Confident114 Ų11445 Ų4561%0.6125%0.253SS*.SBendtrans48.236.7171.2-63.4-14.7000116.3N563N563-N574 PolarHBondContact OD1-N 2.93Å; N563-N574 VanDerWaalsContact OD1-N 3.16Å
575R88Confident86.8Confident40 Ų4048.1 Ų48.115%0.15127%0.269CS..  trans-72.4135.6172.8-82.3-171-80.3137.8-0.1111E105 I562 N563 S568 L570 P571 S573E105-R575 IonicContact OE1-NH1 2.67Å; E105-R575 PolarHBondContact OE1-NH1 3.19Å; E105-R575 VanDerWaalsContact OE1-NH1 3.15Å; I562-R575 HydrophobicContact CG2-CB 3.82Å; I562-R575 PolarHBondContact O-NH1 3.08Å; I562-R575 VanDerWaalsContact O-NH1 3.14Å; I562-R575 PolarHBondContact O-NH2 2.7Å; N563-R575 PolarHBondContact ND2-O 3.4Å; N563-R575 VanDerWaalsContact ND2-O 3.12Å; N563-R575 PolarHBondContact OD1-N 2.92Å; S568-R575 PolarHBondContact OG-NH1 3.15Å; S568-R575 PolarHBondContact OG-NH2 3.22Å; L570-R575 PolarHBondContact O-NH2 3.12Å; P571-R575 PolarHBondContact O-NE 2.92Å; P571-R575 PolarHBondContact O-NH2 3.37Å; S573-R575 VanDerWaalsContact C-N 3.26Å; S573-R575 PolarHBondContact O-N 3.32Å; S573-R575 VanDerWaalsContact O-N 3.08Å
576V94.4Very high87.2Confident37 Ų3745.1 Ų45.122%0.22424%0.244CC..  trans-108.8128.9174.1177.70000108A605 K608V576-A605 VanDerWaalsContact CG1-O 3.29Å; V576-A605 WeakPolarHBondContact CG1-O 3.38Å; V576-A605 WeakPolarHBondContact CG2-O 3.39Å; V576-K608 HydrophobicContact CG1-CG 3.84Å
577A96.8Very high87.5Confident0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-64.1143177.400000110.9I67 H69 I562 T579 Y580 P606 F607 K608I67-A577 HydrophobicContact CG2-CB 4.17Å; H69-A577 HydrophobicContact CB-CB 4.09Å; I562-A577 HydrophobicContact CD1-CB 3.89Å; A577-T579 VanDerWaalsContact C-N 3.33Å; A577-Y580 HydrophobicContact CB-CD1 3.91Å; A577-Y580 HydrophobicContact CB-CE1 3.6Å; A577-P606 WeakPolarHBondContact CB-O 3.44Å; A577-P606 PolarHBondContact N-O 3.45Å; A577-F607 CarbonylContact O-C 3.4Å; A577-F607 WeakPolarHBondContact O-CA 3.24Å; A577-K608 PolarHBondContact O-N 3.39Å
578D97.6Very high87.5Confident26 Ų2642.7 Ų42.714%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-71.3-34.2175.1-64.6-69.4000111F66 I67 K608 N609F66-D578 VanDerWaalsContact CA-OD2 3.32Å; F66-D578 WeakPolarHBondContact CA-OD2 3.41Å; F66-D578 HydrophobicContact CD2-CB 3.57Å; F66-D578 HydrophobicContact CE2-CB 3.45Å; F66-D578 VanDerWaalsContact CE2-CB 3.45Å; F66-D578 HydrophobicContact CG-CB 4.41Å; F66-D578 HydrophobicContact CZ-CB 4.22Å; I67-D578 PolarHBondContact N-OD2 3.23Å; I67-D578 PolarHBondContact O-N 3.2Å; D578-K608 IonicContact OD1-NZ 3.92Å; D578-K608 PolarHBondContact OD1-NZ 3.25Å; D578-N609 WeakPolarHBondContact O-CB 3.46Å; D578-N609 PolarHBondContact O-N 2.65Å; D578-N609 VanDerWaalsContact O-N 3.15Å; D578-N609 PolarHBondContact O-ND2 2.88Å
579T98.5Very high87.9Confident8 Ų842.6 Ų42.65%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-148.8136.2-179.3-59.60000112.4I67 L68 H69 L93 A577 L581 N609 V611I67-T579 PolarHBondContact O-N 2.63Å; L68-T579 WeakPolarHBondContact CA-O 3.17Å; H69-T579 PolarHBondContact N-O 3.25Å; H69-T579 VanDerWaalsContact N-O 3.13Å; L93-T579 HydrophobicContact CD2-CG2 3.92Å; A577-T579 VanDerWaalsContact C-N 3.33Å; T579-L581 HydrophobicContact CG2-CB 4.45Å; T579-N609 WeakPolarHBondContact CA-O 3.21Å; T579-V611 HydrophobicContact CG2-CB 4.4Å; T579-V611 HydrophobicContact CG2-CG2 3.71Å
580Y98.7Very high88.7Confident0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-105.4140.5154.8-76.625.1000108.3H69 W558 A577 W590 F591 F607 N609 L610 V611H69-Y580 HydrophobicContact CB-CD1 3.53Å; H69-Y580 HydrophobicContact CB-CE1 3.2Å; H69-Y580 HydrophobicContact CB-CG 4.5Å; H69-Y580 AromaticContact CD2-CE1 3.63Å; H69-Y580 AromaticContact CD2-CZ 3.39Å; H69-Y580 PolarHBondContact CD2-OH 2.95Å; H69-Y580 AromaticContact CG-CE1 3.79Å; W558-Y580 WeakPolarHBondContact CB-OH 3.33Å; A577-Y580 HydrophobicContact CB-CD1 3.91Å; A577-Y580 HydrophobicContact CB-CE1 3.6Å; Y580-W590 HydrophobicContact CD1-CH2 4.27Å; Y580-W590 HydrophobicContact CD2-CD2 4.3Å; Y580-W590 AromaticContact CD2-CE3 3.62Å; Y580-W590 HydrophobicContact CD2-CE3 3.62Å; Y580-W590 AromaticContact CD2-CH2 3.3Å; Y580-W590 HydrophobicContact CD2-CH2 3.3Å; Y580-W590 HydrophobicContact CD2-CZ2 4.03Å; Y580-W590 AromaticContact CD2-CZ3 3.06Å; Y580-W590 HydrophobicContact CD2-CZ3 3.06Å; Y580-W590 HydrophobicContact CE1-CH2 4.27Å; Y580-W590 HydrophobicContact CE2-CD2 4.15Å; Y580-W590 AromaticContact CE2-CE2 3.92Å; Y580-W590 AromaticContact CE2-CE3 3.92Å; Y580-W590 HydrophobicContact CE2-CE3 3.92Å; Y580-W590 AromaticContact CE2-CH2 3.25Å; Y580-W590 HydrophobicContact CE2-CH2 3.25Å; Y580-W590 AromaticContact CE2-CZ2 3.51Å; Y580-W590 HydrophobicContact CE2-CZ2 3.51Å; Y580-W590 AromaticContact CE2-CZ3 3.48Å; Y580-W590 HydrophobicContact CE2-CZ3 3.48Å; Y580-W590 VanDerWaalsContact CE2-CZ3 3.48Å; Y580-W590 AromaticContact CG-CH2 3.83Å; Y580-W590 HydrophobicContact CG-CH2 3.83Å; Y580-W590 AromaticContact CG-CZ3 3.67Å; Y580-W590 HydrophobicContact CG-CZ3 3.67Å; Y580-W590 AromaticContact CZ-CH2 3.78Å; Y580-W590 AromaticContact CZ-CZ2 3.97Å; Y580-F591 AromaticContact CD2-CD1 3.92Å; Y580-F591 HydrophobicContact CD2-CD1 3.92Å; Y580-F591 HydrophobicContact CD2-CE1 4.06Å; Y580-F607 HydrophobicContact CD1-CB 3.65Å; Y580-F607 HydrophobicContact CD1-CD1 4.1Å; Y580-F607 HydrophobicContact CD1-CG 4.3Å; Y580-F607 AromaticContact CD2-CD1 3.5Å; Y580-F607 HydrophobicContact CD2-CD1 3.5Å; Y580-F607 VanDerWaalsContact CD2-CD1 3.5Å; Y580-F607 HydrophobicContact CD2-CE1 4.07Å; Y580-F607 HydrophobicContact CD2-CG 4.3Å; Y580-F607 HydrophobicContact CE1-CB 3.93Å; Y580-F607 HydrophobicContact CE1-CD1 4.07Å; Y580-F607 AromaticContact CE2-CD1 3.53Å; Y580-F607 HydrophobicContact CE2-CD1 3.53Å; Y580-F607 HydrophobicContact CE2-CE1 4.07Å; Y580-F607 HydrophobicContact CG-CB 3.97Å; Y580-F607 AromaticContact CG-CD1 3.81Å; Y580-F607 HydrophobicContact CG-CD1 3.81Å; Y580-F607 HydrophobicContact CG-CG 4.18Å; Y580-F607 AromaticContact CZ-CD1 3.8Å; Y580-N609 PolarHBondContact N-O 2.83Å; Y580-L610 HydrophobicContact CG-CD2 4.41Å; Y580-V611 PolarHBondContact O-N 3.09Å
581L98.4Very high89.6Confident0 Ų036.3 Ų36.30%020%0.202CC..EExtended strand (participates in β ladder)trans-135108.6179.6-172.9164000109.7N86 L89 K90 T579 V611 F755N86-L581 PolarHBondContact ND2-O 2.87Å; L89-L581 HydrophobicContact CB-CD1 4.05Å; L89-L581 HydrophobicContact CB-CD2 4.15Å; K90-L581 WeakPolarHBondContact CE-O 3.46Å; K90-L581 HydrophobicContact CG-CB 4.13Å; K90-L581 HydrophobicContact CG-CD1 4.29Å; K90-L581 HydrophobicContact CG-CD2 4.06Å; K90-L581 HydrophobicContact CG-CG 4.38Å; T579-L581 HydrophobicContact CG2-CB 4.45Å; L581-V611 VanDerWaalsContact CA-O 3.29Å; L581-V611 WeakPolarHBondContact CA-O 3.44Å; L581-V611 HydrophobicContact CB-CB 4.07Å; L581-V611 HydrophobicContact CD1-CB 4.11Å; L581-V611 HydrophobicContact CD1-CG1 3.83Å; L581-V611 HydrophobicContact CG-CB 3.81Å; L581-V611 HydrophobicContact CG-CG1 3.8Å; L581-F755 HydrophobicContact CD1-CE1 4.02Å
582E97.8Very high90.8Very high18 Ų1831.3 Ų31.38%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-146.1-179177.6-54-61.2156.900113G71 N86 K90 Q586 W590 F591 V611 I612 H613G71-E582 WeakPolarHBondContact CA-OE1 3.22Å; G71-E582 PolarHBondContact N-OE1 2.92Å; N86-E582 PolarHBondContact ND2-OE2 3.47Å; K90-E582 WeakPolarHBondContact CE-OE1 3.46Å; K90-E582 IonicContact NZ-OE1 2.74Å; K90-E582 PolarHBondContact NZ-OE1 3.42Å; K90-E582 IonicContact NZ-OE2 3.33Å; K90-E582 PolarHBondContact NZ-OE2 2.89Å; E582-Q586 HydrophobicContact CB-CB 3.95Å; E582-Q586 HydrophobicContact CB-CG 3.54Å; E582-Q586 HydrophobicContact CG-CG 4.14Å; E582-W590 HydrophobicContact CG-CE3 3.8Å; E582-W590 HydrophobicContact CG-CZ3 3.85Å; E582-F591 HydrophobicContact CB-CE1 3.91Å; E582-F591 HydrophobicContact CB-CE2 4.38Å; E582-F591 HydrophobicContact CB-CZ 3.51Å; E582-F591 HydrophobicContact CG-CE1 3.75Å; E582-F591 HydrophobicContact CG-CZ 3.9Å; E582-V611 PolarHBondContact N-O 2.87Å; E582-V611 VanDerWaalsContact N-O 3.13Å; E582-I612 WeakPolarHBondContact O-CA 3.44Å; E582-H613 VanDerWaalsContact C-CD2 3.49Å; E582-H613 PolarHBondContact O-CD2 3.35Å; E582-H613 PolarHBondContact O-N 3.36Å; E582-H613 VanDerWaalsContact O-N 3.12Å
583G95.1Very high92.3Very high6 Ų628.6 Ų28.66%0.06215%0.151CC..EExtended strand (participates in β ladder)trans-70.3160.2174.300000113.4D585 Q586 H613G583-D585 PolarHBondContact O-N 3.43Å; G583-Q586 WeakPolarHBondContact O-CB 3.49Å; G583-Q586 PolarHBondContact O-N 3.08Å; G583-H613 VanDerWaalsContact CA-CE1 3.48Å; G583-H613 WeakPolarHBondContact CA-CE1 3.34Å; G583-H613 WeakPolarHBondContact CA-O 3.49Å; G583-H613 PolarHBondContact N-CE1 3.35Å; G583-H613 PolarHBondContact N-NE2 3.13Å
584H93.2Very high93.8Very high68 Ų6824 Ų2432%0.31512%0.119SC..G310 helixtrans-57.6-28.3179.8-175.8-86.2000114.5H458 S461 Q586 F587 I612 H613 F615H458-H584 AromaticContact CE1-CD2 3.52Å; H458-H584 AromaticContact CE1-NE2 3.94Å; H458-H584 AromaticContact ND1-CD2 3.26Å; H458-H584 PolarHBondContact ND1-CD2 2.63Å; H458-H584 VanDerWaalsContact ND1-CD2 3.26Å; H458-H584 AromaticContact ND1-NE2 3.46Å; H458-H584 PolarHBondContact ND1-NE2 3.35Å; S461-H584 PolarHBondContact OG-NE2 2.87Å; H584-Q586 PolarHBondContact O-N 2.87Å; H584-F587 AromaticContact CD2-CD2 3.96Å; H584-F587 AromaticContact CD2-CE2 3.95Å; H584-F587 WeakPolarHBondContact O-CD2 3.45Å; H584-F587 PolarHBondContact O-N 2.99Å; H584-I612 HydrophobicContact CB-CG2 4.04Å; H584-H613 PolarHBondContact N-O 2.93Å; H584-F615 HydrophobicContact CB-CE2 4.14Å
585D89.3Confident94.9Very high74 Ų7418.6 Ų18.640%0.3969%0.09SC..G310 helixtrans-57.3-27.8173.344-43.9000113.7G583 F587 R588 F615G583-D585 PolarHBondContact O-N 3.43Å; D585-F587 PolarHBondContact O-N 3.45Å; D585-F587 VanDerWaalsContact O-N 3.15Å; D585-R588 PolarHBondContact O-N 2.69Å; D585-F615 HydrophobicContact CB-CE1 4.43Å; D585-F615 HydrophobicContact CB-CZ 3.69Å; D585-F615 VanDerWaalsContact OD1-CZ 3.25Å; D585-F615 WeakPolarHBondContact OD1-CZ 3.34Å
586Q94.8Very high95.3Very high35 Ų3516.7 Ų16.716%0.1648%0.083CC..G310 helixtrans-72-9.8-172.7-60.8-53.3-42.500113.8E582 G583 H584 R588 G589 W590 F591E582-Q586 HydrophobicContact CB-CB 3.95Å; E582-Q586 HydrophobicContact CB-CG 3.54Å; E582-Q586 HydrophobicContact CG-CG 4.14Å; G583-Q586 WeakPolarHBondContact O-CB 3.49Å; G583-Q586 PolarHBondContact O-N 3.08Å; H584-Q586 PolarHBondContact O-N 2.87Å; Q586-R588 VanDerWaalsContact C-N 3.25Å; Q586-R588 PolarHBondContact O-N 3.31Å; Q586-G589 CarbonylContact O-C 3.58Å; Q586-G589 PolarHBondContact O-N 3.28Å; Q586-W590 PolarHBondContact O-N 2.82Å; Q586-W590 VanDerWaalsContact OE1-CB 3.25Å; Q586-F591 VanDerWaalsContact C-CD2 3.43Å; Q586-F591 HydrophobicContact CB-CD1 4.26Å; Q586-F591 HydrophobicContact CB-CD2 3.76Å; Q586-F591 HydrophobicContact CB-CE1 4.19Å; Q586-F591 HydrophobicContact CB-CE2 3.65Å; Q586-F591 HydrophobicContact CB-CG 4.08Å; Q586-F591 HydrophobicContact CB-CZ 3.92Å; Q586-F591 VanDerWaalsContact O-CB 3.29Å; Q586-F591 WeakPolarHBondContact O-CB 3.27Å; Q586-F591 WeakPolarHBondContact O-CD2 3.29Å; Q586-F591 WeakPolarHBondContact O-CG 3.32Å; Q586-F591 PolarHBondContact O-N 3.23Å
587F93.5Very high95.4Very high2 Ų215 Ų151%0.0097%0.072CC..G310 helixtrans-57.7-38.8165.5-78.2-66.8000112.3V453 H458 M462 F465 H584 D585 F591 S592 L610 I612V453-F587 HydrophobicContact CG1-CZ 4.29Å; H458-F587 HydrophobicContact CB-CE2 3.97Å; H458-F587 HydrophobicContact CB-CZ 3.93Å; H458-F587 WeakPolarHBondContact O-CZ 3.4Å; M462-F587 HydrophobicContact CB-CD1 3.69Å; M462-F587 HydrophobicContact CB-CE1 3.98Å; M462-F587 HydrophobicContact CE-CD1 3.48Å; M462-F587 VanDerWaalsContact CE-CD1 3.48Å; M462-F587 HydrophobicContact CE-CE1 3.93Å; M462-F587 HydrophobicContact CG-CD1 4.33Å; M462-F587 HydrophobicContact SD-CD1 3.82Å; F465-F587 HydrophobicContact CD2-CB 4.17Å; F465-F587 WeakPolarHBondContact CD2-O 3.18Å; F465-F587 HydrophobicContact CE2-CB 4.11Å; H584-F587 AromaticContact CD2-CD2 3.96Å; H584-F587 AromaticContact CD2-CE2 3.95Å; H584-F587 WeakPolarHBondContact O-CD2 3.45Å; H584-F587 PolarHBondContact O-N 2.99Å; D585-F587 PolarHBondContact O-N 3.45Å; D585-F587 VanDerWaalsContact O-N 3.15Å; F587-F591 HydrophobicContact CD1-CD2 4.27Å; F587-F591 HydrophobicContact CG-CD2 4.43Å; F587-S592 VanDerWaalsContact O-CB 3.28Å; F587-S592 WeakPolarHBondContact O-CB 3.29Å; F587-S592 PolarHBondContact O-OG 2.95Å; F587-L610 HydrophobicContact CE1-CD1 4.3Å; F587-I612 HydrophobicContact CE1-CD1 4.36Å; F587-I612 HydrophobicContact CE2-CD1 3.71Å; F587-I612 HydrophobicContact CE2-CG1 3.86Å; F587-I612 HydrophobicContact CE2-CG2 4.04Å; F587-I612 HydrophobicContact CZ-CD1 3.55Å; F587-I612 HydrophobicContact CZ-CG1 3.75Å
588R87.9Confident95.4Very high71 Ų7115 Ų1527%0.2687%0.073SC..THydrogen-bonded Turntrans-83.9-22.1177.9-171.4176.7-163.4-150.88112.7E208 S209 F465 D585 Q586 S592E208-R588 PolarHBondContact O-NH1 2.92Å; E208-R588 PolarHBondContact O-NH2 2.72Å; S209-R588 VanDerWaalsContact CA-CZ 3.5Å; S209-R588 PolarHBondContact O-NH1 3.1Å; F465-R588 HydrophobicContact CD1-CB 4.24Å; F465-R588 HydrophobicContact CD1-CG 3.98Å; F465-R588 HydrophobicContact CE1-CB 3.8Å; F465-R588 HydrophobicContact CE1-CG 3.54Å; F465-R588 HydrophobicContact CE2-CB 4.1Å; F465-R588 HydrophobicContact CZ-CB 3.72Å; F465-R588 HydrophobicContact CZ-CG 3.96Å; D585-R588 PolarHBondContact O-N 2.69Å; Q586-R588 VanDerWaalsContact C-N 3.25Å; Q586-R588 PolarHBondContact O-N 3.31Å; R588-S592 PolarHBondContact O-OG 3.3Å
589G90.4Very high95.3Very high2 Ų214.3 Ų14.32%0.0217%0.069CC..THydrogen-bonded Turntrans-105.2-115.2-177.700000111.7W551 Q586 F591 S592 A593W551-G589 VanDerWaalsContact CZ3-CA 3.41Å; Q586-G589 CarbonylContact O-C 3.58Å; Q586-G589 PolarHBondContact O-N 3.28Å; G589-F591 PolarHBondContact O-N 2.85Å; G589-S592 PolarHBondContact O-N 3.32Å; G589-S592 PolarHBondContact O-OG 3.42Å; G589-A593 PolarHBondContact O-N 3.49Å; G589-A593 VanDerWaalsContact O-N 3.14Å
590W95.6Very high95.2Very high4 Ų414.1 Ų14.12%0.0157%0.068CC..Hα-helixtrans-56.7-42.3-165-172.155.9000114.5H69 G71 W551 S554 S557 Y580 E582 Q586 S592 A593 S594H69-W590 HydrophobicContact CB-CH2 4.27Å; H69-W590 AromaticContact CD2-CH2 3.46Å; H69-W590 VanDerWaalsContact CD2-CH2 3.46Å; H69-W590 WeakPolarHBondContact CD2-CH2 3.03Å; H69-W590 AromaticContact CD2-CZ2 3.22Å; H69-W590 WeakPolarHBondContact CD2-CZ2 3.31Å; H69-W590 AromaticContact NE2-CZ2 3.59Å; G71-W590 VanDerWaalsContact CA-CZ3 3.47Å; G71-W590 VanDerWaalsContact N-CH2 3.26Å; W551-W590 HydrophobicContact CZ3-CB 4.12Å; S554-W590 VanDerWaalsContact O-CD1 3.31Å; S554-W590 PolarHBondContact O-NE1 3.24Å; S557-W590 PolarHBondContact OG-NE1 2.88Å; Y580-W590 HydrophobicContact CD1-CH2 4.27Å; Y580-W590 HydrophobicContact CD2-CD2 4.3Å; Y580-W590 AromaticContact CD2-CE3 3.62Å; Y580-W590 HydrophobicContact CD2-CE3 3.62Å; Y580-W590 AromaticContact CD2-CH2 3.3Å; Y580-W590 HydrophobicContact CD2-CH2 3.3Å; Y580-W590 HydrophobicContact CD2-CZ2 4.03Å; Y580-W590 AromaticContact CD2-CZ3 3.06Å; Y580-W590 HydrophobicContact CD2-CZ3 3.06Å; Y580-W590 HydrophobicContact CE1-CH2 4.27Å; Y580-W590 HydrophobicContact CE2-CD2 4.15Å; Y580-W590 AromaticContact CE2-CE2 3.92Å; Y580-W590 AromaticContact CE2-CE3 3.92Å; Y580-W590 HydrophobicContact CE2-CE3 3.92Å; Y580-W590 AromaticContact CE2-CH2 3.25Å; Y580-W590 HydrophobicContact CE2-CH2 3.25Å; Y580-W590 AromaticContact CE2-CZ2 3.51Å; Y580-W590 HydrophobicContact CE2-CZ2 3.51Å; Y580-W590 AromaticContact CE2-CZ3 3.48Å; Y580-W590 HydrophobicContact CE2-CZ3 3.48Å; Y580-W590 VanDerWaalsContact CE2-CZ3 3.48Å; Y580-W590 AromaticContact CG-CH2 3.83Å; Y580-W590 HydrophobicContact CG-CH2 3.83Å; Y580-W590 AromaticContact CG-CZ3 3.67Å; Y580-W590 HydrophobicContact CG-CZ3 3.67Å; Y580-W590 AromaticContact CZ-CH2 3.78Å; Y580-W590 AromaticContact CZ-CZ2 3.97Å; E582-W590 HydrophobicContact CG-CE3 3.8Å; E582-W590 HydrophobicContact CG-CZ3 3.85Å; Q586-W590 PolarHBondContact O-N 2.82Å; Q586-W590 VanDerWaalsContact OE1-CB 3.25Å; W590-S592 PolarHBondContact O-N 3.35Å; W590-A593 PolarHBondContact O-N 3.38Å; W590-S594 WeakPolarHBondContact O-CB 3.36Å; W590-S594 PolarHBondContact O-N 2.98Å; W590-S594 PolarHBondContact O-OG 3.38Å
591F97Very high95.1Very high0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-64.7-43.7-177.3-59.3-29.8000112.5M462 Y580 E582 Q586 F587 G589 L595 L610 I612M462-F591 HydrophobicContact CE-CB 3.28Å; M462-F591 HydrophobicContact CE-CD2 4.34Å; M462-F591 HydrophobicContact CE-CG 4.25Å; M462-F591 HydrophobicContact SD-CB 4.41Å; Y580-F591 AromaticContact CD2-CD1 3.92Å; Y580-F591 HydrophobicContact CD2-CD1 3.92Å; Y580-F591 HydrophobicContact CD2-CE1 4.06Å; E582-F591 HydrophobicContact CB-CE1 3.91Å; E582-F591 HydrophobicContact CB-CE2 4.38Å; E582-F591 HydrophobicContact CB-CZ 3.51Å; E582-F591 HydrophobicContact CG-CE1 3.75Å; E582-F591 HydrophobicContact CG-CZ 3.9Å; Q586-F591 VanDerWaalsContact C-CD2 3.43Å; Q586-F591 HydrophobicContact CB-CD1 4.26Å; Q586-F591 HydrophobicContact CB-CD2 3.76Å; Q586-F591 HydrophobicContact CB-CE1 4.19Å; Q586-F591 HydrophobicContact CB-CE2 3.65Å; Q586-F591 HydrophobicContact CB-CG 4.08Å; Q586-F591 HydrophobicContact CB-CZ 3.92Å; Q586-F591 VanDerWaalsContact O-CB 3.29Å; Q586-F591 WeakPolarHBondContact O-CB 3.27Å; Q586-F591 WeakPolarHBondContact O-CD2 3.29Å; Q586-F591 WeakPolarHBondContact O-CG 3.32Å; Q586-F591 PolarHBondContact O-N 3.23Å; F587-F591 HydrophobicContact CD1-CD2 4.27Å; F587-F591 HydrophobicContact CG-CD2 4.43Å; G589-F591 PolarHBondContact O-N 2.85Å; F591-L595 VanDerWaalsContact O-CB 3.26Å; F591-L595 WeakPolarHBondContact O-CB 3.04Å; F591-L595 PolarHBondContact O-N 2.92Å; F591-L610 HydrophobicContact CD1-CD2 3.97Å; F591-L610 HydrophobicContact CD2-CD1 4.37Å; F591-L610 HydrophobicContact CE1-CD2 4.06Å; F591-L610 HydrophobicContact CG-CD1 4.45Å; F591-L610 HydrophobicContact CG-CD2 4.19Å; F591-L610 HydrophobicContact CZ-CD2 4.36Å; F591-I612 HydrophobicContact CD2-CD1 4.27Å; F591-I612 HydrophobicContact CE2-CD1 3.41Å; F591-I612 VanDerWaalsContact CE2-CD1 3.41Å; F591-I612 HydrophobicContact CZ-CD1 4.02Å
592S94.9Very high94.9Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-69-40.9178.9670000111.7R469 F587 R588 G589 W590 L595 L596R469-S592 PolarHBondContact NH1-OG 3.34Å; F587-S592 VanDerWaalsContact O-CB 3.28Å; F587-S592 WeakPolarHBondContact O-CB 3.29Å; F587-S592 PolarHBondContact O-OG 2.95Å; R588-S592 PolarHBondContact O-OG 3.3Å; G589-S592 PolarHBondContact O-N 3.32Å; G589-S592 PolarHBondContact O-OG 3.42Å; W590-S592 PolarHBondContact O-N 3.35Å; S592-L595 PolarHBondContact O-N 2.8Å; S592-L596 WeakPolarHBondContact O-CB 3.47Å; S592-L596 VanDerWaalsContact O-CG 3.3Å; S592-L596 WeakPolarHBondContact O-CG 3.33Å; S592-L596 PolarHBondContact O-N 2.85Å
593A95.4Very high94.7Very high0 Ų018.8 Ų18.80%011%0.108CC..Hα-helixtrans-63.2-50.817800000111.3W472 W551 G589 W590 L595 L596 L597W472-A593 HydrophobicContact CH2-CB 3.72Å; W472-A593 HydrophobicContact CZ2-CB 4.37Å; W472-A593 HydrophobicContact CZ3-CB 4.19Å; W551-A593 HydrophobicContact CB-CB 4.27Å; W551-A593 WeakPolarHBondContact O-CB 3.21Å; G589-A593 PolarHBondContact O-N 3.49Å; G589-A593 VanDerWaalsContact O-N 3.14Å; W590-A593 PolarHBondContact O-N 3.38Å; A593-L595 VanDerWaalsContact C-N 3.34Å; A593-L595 PolarHBondContact O-N 2.9Å; A593-L596 PolarHBondContact O-N 2.92Å; A593-L597 WeakPolarHBondContact O-CB 3.42Å; A593-L597 VanDerWaalsContact O-CG 3.31Å; A593-L597 WeakPolarHBondContact O-CG 3.47Å; A593-L597 PolarHBondContact O-N 3.25Å
594S97.5Very high94.7Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-60.6-42.2176.9-66.40000112.3G555 W590 S598G555-S594 WeakPolarHBondContact CA-OG 3.24Å; G555-S594 VanDerWaalsContact O-CA 3.32Å; G555-S594 WeakPolarHBondContact O-CA 3.33Å; G555-S594 PolarHBondContact O-OG 2.82Å; W590-S594 WeakPolarHBondContact O-CB 3.36Å; W590-S594 PolarHBondContact O-N 2.98Å; W590-S594 PolarHBondContact O-OG 3.38Å; S594-S598 WeakPolarHBondContact O-CB 3.3Å; S594-S598 PolarHBondContact O-N 2.87Å
595L97.4Very high94.9Very high0 Ų016.9 Ų16.90%010%0.1CC..Hα-helixtrans-59.6-54176.818066.3000111.4A444 Y448 I466 F591 S592 A593 L597 S598 I599 A605 F607A444-L595 HydrophobicContact CB-CD2 4.46Å; Y448-L595 HydrophobicContact CD2-CD2 4.11Å; Y448-L595 HydrophobicContact CG-CD2 4.36Å; I466-L595 HydrophobicContact CD1-CD2 3.51Å; I466-L595 HydrophobicContact CG1-CD2 4.18Å; F591-L595 VanDerWaalsContact O-CB 3.26Å; F591-L595 WeakPolarHBondContact O-CB 3.04Å; F591-L595 PolarHBondContact O-N 2.92Å; S592-L595 PolarHBondContact O-N 2.8Å; A593-L595 VanDerWaalsContact C-N 3.34Å; A593-L595 PolarHBondContact O-N 2.9Å; L595-L597 PolarHBondContact O-N 3.42Å; L595-S598 PolarHBondContact O-N 3.39Å; L595-I599 HydrophobicContact CD1-CD1 4.44Å; L595-I599 HydrophobicContact CD1-CG1 4.08Å; L595-I599 HydrophobicContact CG-CG1 4.42Å; L595-I599 WeakPolarHBondContact O-CB 3.48Å; L595-I599 WeakPolarHBondContact O-CG1 3.4Å; L595-I599 PolarHBondContact O-N 3.23Å; L595-A605 HydrophobicContact CD1-CB 3.71Å; L595-F607 HydrophobicContact CB-CZ 4.17Å; L595-F607 HydrophobicContact CD1-CZ 4.45Å
596L96.3Very high95.2Very high0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-60.4-44.9-176.6-70.5170.8000111.9T437 L440 A444 S592 A593 I599 A600T437-L596 HydrophobicContact CG2-CD1 4.38Å; L440-L596 HydrophobicContact CB-CD2 4.16Å; A444-L596 HydrophobicContact CB-CD2 4.02Å; S592-L596 WeakPolarHBondContact O-CB 3.47Å; S592-L596 VanDerWaalsContact O-CG 3.3Å; S592-L596 WeakPolarHBondContact O-CG 3.33Å; S592-L596 PolarHBondContact O-N 2.85Å; A593-L596 PolarHBondContact O-N 2.92Å; L596-I599 PolarHBondContact O-N 3.02Å; L596-A600 WeakPolarHBondContact O-CB 3.29Å; L596-A600 PolarHBondContact O-N 3.26Å
597L97.1Very high95.4Very high0 Ų011.9 Ų11.90%08%0.075CC..Hα-helixtrans-69.7-38.5-179.3-64.3172.2000112.3L183 V435 W472 F552 L556 A593 L595 A600 L601L183-L597 HydrophobicContact CD1-CD2 3.8Å; V435-L597 HydrophobicContact CG2-CD2 4.4Å; W472-L597 HydrophobicContact CH2-CD1 3.91Å; W472-L597 HydrophobicContact CH2-CG 4.34Å; W472-L597 HydrophobicContact CZ3-CD1 4Å; W472-L597 HydrophobicContact CZ3-CD2 4.02Å; W472-L597 HydrophobicContact CZ3-CG 3.9Å; F552-L597 HydrophobicContact CD2-CD1 4.12Å; F552-L597 HydrophobicContact CD2-CD2 4.02Å; F552-L597 HydrophobicContact CE2-CD1 4.45Å; F552-L597 HydrophobicContact CE2-CD2 3.76Å; L556-L597 HydrophobicContact CD2-CB 4.05Å; L556-L597 HydrophobicContact CD2-CD1 3.95Å; L556-L597 HydrophobicContact CD2-CG 4.48Å; L556-L597 HydrophobicContact CG-CD1 3.91Å; A593-L597 WeakPolarHBondContact O-CB 3.42Å; A593-L597 VanDerWaalsContact O-CG 3.31Å; A593-L597 WeakPolarHBondContact O-CG 3.47Å; A593-L597 PolarHBondContact O-N 3.25Å; L595-L597 PolarHBondContact O-N 3.42Å; L597-A600 PolarHBondContact O-N 2.95Å; L597-L601 WeakPolarHBondContact O-CB 3.37Å; L597-L601 WeakPolarHBondContact O-CG 3.45Å; L597-L601 PolarHBondContact O-N 3.08Å
598S97Very high95.6Very high1 Ų116.8 Ų16.81%0.00710%0.096CC..Hα-helixtrans-66.4-42.5175.8-162.50000111.6S594 L595 A600 L601 T602 G603 C604S594-S598 WeakPolarHBondContact O-CB 3.3Å; S594-S598 PolarHBondContact O-N 2.87Å; L595-S598 PolarHBondContact O-N 3.39Å; S598-A600 VanDerWaalsContact C-N 3.31Å; S598-A600 PolarHBondContact O-N 2.98Å; S598-L601 PolarHBondContact O-N 3.02Å; S598-T602 PolarHBondContact O-N 3.5Å; S598-T602 PolarHBondContact O-OG1 3.04Å; S598-T602 PolarHBondContact OG-OG1 3.33Å; S598-G603 PolarHBondContact O-N 3.39Å; S598-C604 CarbonylContact C-O 3.58Å; S598-C604 WeakPolarHBondContact CB-O 3.34Å; S598-C604 PolarHBondContact OG-O 2.96Å
599I96Very high96.1Very high12 Ų1215.4 Ų15.46%0.0629%0.094CC..Hα-helixtrans-60.3-44.3175.4-65-70.7000110.9L440 F443 A444 E447 L595 L596 L601 G603L440-I599 HydrophobicContact CD2-CG2 4.37Å; F443-I599 HydrophobicContact CB-CG2 3.66Å; A444-I599 HydrophobicContact CB-CG1 4.33Å; E447-I599 HydrophobicContact CB-CD1 3.42Å; E447-I599 VanDerWaalsContact CB-CD1 3.42Å; E447-I599 HydrophobicContact CG-CD1 3.57Å; L595-I599 HydrophobicContact CD1-CD1 4.44Å; L595-I599 HydrophobicContact CD1-CG1 4.08Å; L595-I599 HydrophobicContact CG-CG1 4.42Å; L595-I599 WeakPolarHBondContact O-CB 3.48Å; L595-I599 WeakPolarHBondContact O-CG1 3.4Å; L595-I599 PolarHBondContact O-N 3.23Å; L596-I599 PolarHBondContact O-N 3.02Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.31Å; I599-G603 VanDerWaalsContact O-CA 3.23Å; I599-G603 WeakPolarHBondContact O-CA 3.25Å; I599-G603 PolarHBondContact O-N 2.99Å
600A96.4Very high96.5Very high4 Ų415.3 Ų15.33%0.0339%0.093CC..Hα-helixtrans-64.7-35.9179.200000113.1L183 F188 L440 L596 L597 S598L183-A600 HydrophobicContact CD2-CB 3.31Å; F188-A600 HydrophobicContact CB-CB 4.41Å; F188-A600 HydrophobicContact CD2-CB 3.77Å; F188-A600 HydrophobicContact CE2-CB 4.17Å; F188-A600 WeakPolarHBondContact CE2-O 3.4Å; F188-A600 HydrophobicContact CG-CB 4.07Å; L440-A600 HydrophobicContact CD1-CB 3.99Å; L440-A600 HydrophobicContact CD2-CB 3.66Å; L440-A600 HydrophobicContact CG-CB 4.49Å; L596-A600 WeakPolarHBondContact O-CB 3.29Å; L596-A600 PolarHBondContact O-N 3.26Å; L597-A600 PolarHBondContact O-N 2.95Å; S598-A600 VanDerWaalsContact C-N 3.31Å; S598-A600 PolarHBondContact O-N 2.98Å
601L95.5Very high96.6Very high22 Ų2215.1 Ų15.112%0.1159%0.093CC..Hα-helixtrans-87.2-43.2-177.7-73.8171.7000113.5A179 D182 L183 K186 L556 W558 L559 L597 S598 I599A179-L601 HydrophobicContact CB-CD1 4.15Å; D182-L601 HydrophobicContact CB-CD2 3.74Å; L183-L601 HydrophobicContact CD2-CD2 3.88Å; L183-L601 HydrophobicContact CD2-CG 3.81Å; L183-L601 HydrophobicContact CG-CD2 3.79Å; L183-L601 HydrophobicContact CG-CG 4.07Å; K186-L601 PolarHBondContact NZ-O 3.06Å; L556-L601 HydrophobicContact CD2-CD1 3.85Å; W558-L601 HydrophobicContact CH2-CB 4.22Å; W558-L601 HydrophobicContact CH2-CD1 4.27Å; W558-L601 HydrophobicContact CZ2-CB 4.48Å; W558-L601 HydrophobicContact CZ2-CD1 4.08Å; L559-L601 HydrophobicContact CD2-CD1 3.91Å; L597-L601 WeakPolarHBondContact O-CB 3.37Å; L597-L601 WeakPolarHBondContact O-CG 3.45Å; L597-L601 PolarHBondContact O-N 3.08Å; S598-L601 PolarHBondContact O-N 3.02Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.31Å
602T94.2Very high96.6Very high42 Ų4215.2 Ų15.226%0.2589%0.093SC..Hα-helixtrans-122.7-12.6-168.665.90000114.3W558 S598 C604W558-T602 HydrophobicContact CH2-CG2 3.71Å; W558-T602 HydrophobicContact CZ3-CG2 3.93Å; S598-T602 PolarHBondContact O-N 3.5Å; S598-T602 PolarHBondContact O-OG1 3.04Å; S598-T602 PolarHBondContact OG-OG1 3.33Å; T602-C604 VanDerWaalsContact C-N 3.26Å; T602-C604 PolarHBondContact O-N 3.41Å; T602-C604 PolarHBondContact OG1-SG 3.22Å
603G94.3Very high96.7Very high52 Ų5215.8 Ų15.854%0.53610%0.096SC..SBendtrans74.110.2-177.500000114.9S598 I599S598-G603 PolarHBondContact O-N 3.39Å; I599-G603 VanDerWaalsContact O-CA 3.23Å; I599-G603 WeakPolarHBondContact O-CA 3.25Å; I599-G603 PolarHBondContact O-N 2.99Å
604C94.8Very high96.6Very high30 Ų3016.1 Ų16.120%0.20310%0.099CC..SBendtrans-132.8162.7178.164.50000111.7S598 T602S598-C604 CarbonylContact C-O 3.58Å; S598-C604 WeakPolarHBondContact CB-O 3.34Å; S598-C604 PolarHBondContact OG-O 2.96Å; T602-C604 VanDerWaalsContact C-N 3.26Å; T602-C604 PolarHBondContact O-N 3.41Å; T602-C604 PolarHBondContact OG1-SG 3.22Å
605A96.9Very high96.4Very high3 Ų321.3 Ų21.33%0.02512%0.121CC..  trans-74.8146.5174.200000110E447 V451 V576 L595 F607E447-A605 HydrophobicContact CG-CB 3.77Å; E447-A605 VanDerWaalsContact CG-N 3.27Å; V451-A605 HydrophobicContact CG2-CB 3.88Å; V576-A605 VanDerWaalsContact CG1-O 3.29Å; V576-A605 WeakPolarHBondContact CG1-O 3.38Å; V576-A605 WeakPolarHBondContact CG2-O 3.39Å; L595-A605 HydrophobicContact CD1-CB 3.71Å; A605-F607 PolarHBondContact O-N 3.36Å
606P97Very high96.2Very high2 Ų222.1 Ų22.11%0.01313%0.127CC..SBendtrans-81.7-0.6-178.831.9-29.6000112.8W558 A577W558-P606 HydrophobicContact CB-CB 3.97Å; W558-P606 HydrophobicContact CD2-CB 3.92Å; W558-P606 HydrophobicContact CG-CB 3.57Å; W558-P606 HydrophobicContact CG-CG 4.44Å; A577-P606 WeakPolarHBondContact CB-O 3.44Å; A577-P606 PolarHBondContact N-O 3.45Å
607F97.9Very high96Very high2 Ų222.4 Ų22.41%0.00913%0.129CC..EExtended strand (participates in β ladder)trans-141.3144.6179.943.9-103.6000112.2V451 A577 Y580 L595 A605 L610V451-F607 HydrophobicContact CB-CD2 4.5Å; V451-F607 HydrophobicContact CB-CE2 4.43Å; V451-F607 HydrophobicContact CG1-CD2 3.65Å; V451-F607 HydrophobicContact CG1-CE2 3.76Å; V451-F607 HydrophobicContact CG2-CD2 3.99Å; V451-F607 HydrophobicContact CG2-CE2 3.9Å; A577-F607 CarbonylContact O-C 3.4Å; A577-F607 WeakPolarHBondContact O-CA 3.24Å; Y580-F607 HydrophobicContact CD1-CB 3.65Å; Y580-F607 HydrophobicContact CD1-CD1 4.1Å; Y580-F607 HydrophobicContact CD1-CG 4.3Å; Y580-F607 AromaticContact CD2-CD1 3.5Å; Y580-F607 HydrophobicContact CD2-CD1 3.5Å; Y580-F607 VanDerWaalsContact CD2-CD1 3.5Å; Y580-F607 HydrophobicContact CD2-CE1 4.07Å; Y580-F607 HydrophobicContact CD2-CG 4.3Å; Y580-F607 HydrophobicContact CE1-CB 3.93Å; Y580-F607 HydrophobicContact CE1-CD1 4.07Å; Y580-F607 AromaticContact CE2-CD1 3.53Å; Y580-F607 HydrophobicContact CE2-CD1 3.53Å; Y580-F607 HydrophobicContact CE2-CE1 4.07Å; Y580-F607 HydrophobicContact CG-CB 3.97Å; Y580-F607 AromaticContact CG-CD1 3.81Å; Y580-F607 HydrophobicContact CG-CD1 3.81Å; Y580-F607 HydrophobicContact CG-CG 4.18Å; Y580-F607 AromaticContact CZ-CD1 3.8Å; L595-F607 HydrophobicContact CB-CZ 4.17Å; L595-F607 HydrophobicContact CD1-CZ 4.45Å; A605-F607 PolarHBondContact O-N 3.36Å; F607-L610 HydrophobicContact CB-CD2 4.45Å; F607-L610 HydrophobicContact CD1-CD2 3.93Å; F607-L610 HydrophobicContact CD2-CD1 4.33Å; F607-L610 HydrophobicContact CD2-CD2 3.46Å; F607-L610 VanDerWaalsContact CD2-CD2 3.46Å; F607-L610 HydrophobicContact CD2-CG 3.71Å; F607-L610 HydrophobicContact CE1-CD2 4Å; F607-L610 HydrophobicContact CE2-CD1 3.72Å; F607-L610 HydrophobicContact CE2-CD2 3.55Å; F607-L610 HydrophobicContact CE2-CG 3.62Å; F607-L610 HydrophobicContact CG-CD2 3.67Å; F607-L610 HydrophobicContact CG-CG 4.41Å; F607-L610 HydrophobicContact CZ-CD1 4.08Å; F607-L610 HydrophobicContact CZ-CD2 3.82Å; F607-L610 HydrophobicContact CZ-CG 4.24Å
608K98.1Very high95.8Very high106 Ų10622.9 Ų22.946%0.46113%0.131SC..EExtended strand (participates in β ladder)trans-87.8-37.9171.7-58.2176-165160.70112.5N452 V576 A577 D578N452-K608 PolarHBondContact N-O 2.96Å; V576-K608 HydrophobicContact CG1-CG 3.84Å; A577-K608 PolarHBondContact O-N 3.39Å; D578-K608 IonicContact OD1-NZ 3.92Å; D578-K608 PolarHBondContact OD1-NZ 3.25Å
609N98.3Very high95.5Very high41 Ų4125.3 Ų25.322%0.21915%0.148CC..EExtended strand (participates in β ladder)trans-125.3136.9-179.4-57.5-90.9000110.8N452 D578 T579 Y580N452-N609 WeakPolarHBondContact CB-OD1 3.29Å; N452-N609 PolarHBondContact ND2-OD1 2.8Å; N452-N609 CarbonylContact O-C 3.52Å; N452-N609 VanDerWaalsContact O-CA 3.28Å; N452-N609 WeakPolarHBondContact O-CA 3.39Å; D578-N609 WeakPolarHBondContact O-CB 3.46Å; D578-N609 PolarHBondContact O-N 2.65Å; D578-N609 VanDerWaalsContact O-N 3.15Å; D578-N609 PolarHBondContact O-ND2 2.88Å; T579-N609 WeakPolarHBondContact CA-O 3.21Å; Y580-N609 PolarHBondContact N-O 2.83Å
610L98.4Very high95.2Very high0 Ų029.4 Ų29.40%018%0.177CC..EExtended strand (participates in β ladder)trans-108.7120.7164.8-66.1-177.6000109.3Y448 V451 N452 V453 I454 M462 Y580 F587 F591 F607 I612Y448-L610 HydrophobicContact CE2-CD1 3.97Å; V451-L610 HydrophobicContact CG1-CD1 4.37Å; V451-L610 HydrophobicContact CG1-CG 3.96Å; N452-L610 PolarHBondContact O-N 2.75Å; V453-L610 CarbonylContact C-O 3.33Å; V453-L610 WeakPolarHBondContact CA-O 3.45Å; V453-L610 HydrophobicContact CG1-CB 4.49Å; V453-L610 HydrophobicContact CG2-CB 4.27Å; V453-L610 HydrophobicContact CG2-CD1 4.39Å; I454-L610 PolarHBondContact N-O 2.78Å; M462-L610 HydrophobicContact CE-CD1 3.88Å; Y580-L610 HydrophobicContact CG-CD2 4.41Å; F587-L610 HydrophobicContact CE1-CD1 4.3Å; F591-L610 HydrophobicContact CD1-CD2 3.97Å; F591-L610 HydrophobicContact CD2-CD1 4.37Å; F591-L610 HydrophobicContact CE1-CD2 4.06Å; F591-L610 HydrophobicContact CG-CD1 4.45Å; F591-L610 HydrophobicContact CG-CD2 4.19Å; F591-L610 HydrophobicContact CZ-CD2 4.36Å; F607-L610 HydrophobicContact CB-CD2 4.45Å; F607-L610 HydrophobicContact CD1-CD2 3.93Å; F607-L610 HydrophobicContact CD2-CD1 4.33Å; F607-L610 HydrophobicContact CD2-CD2 3.46Å; F607-L610 VanDerWaalsContact CD2-CD2 3.46Å; F607-L610 HydrophobicContact CD2-CG 3.71Å; F607-L610 HydrophobicContact CE1-CD2 4Å; F607-L610 HydrophobicContact CE2-CD1 3.72Å; F607-L610 HydrophobicContact CE2-CD2 3.55Å; F607-L610 HydrophobicContact CE2-CG 3.62Å; F607-L610 HydrophobicContact CG-CD2 3.67Å; F607-L610 HydrophobicContact CG-CG 4.41Å; F607-L610 HydrophobicContact CZ-CD1 4.08Å; F607-L610 HydrophobicContact CZ-CD2 3.82Å; F607-L610 HydrophobicContact CZ-CG 4.24Å; L610-I612 HydrophobicContact CB-CD1 4.16Å
611V98.3Very high94.8Very high1 Ų131 Ų311%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-106.9123.3174.1-179.70000108.8I454 T579 Y580 L581 E582 L657 F755I454-V611 HydrophobicContact CB-CG2 4.35Å; I454-V611 HydrophobicContact CD1-CG2 4.35Å; I454-V611 CarbonylContact O-C 3.55Å; I454-V611 WeakPolarHBondContact O-CA 3.38Å; T579-V611 HydrophobicContact CG2-CB 4.4Å; T579-V611 HydrophobicContact CG2-CG2 3.71Å; Y580-V611 PolarHBondContact O-N 3.09Å; L581-V611 VanDerWaalsContact CA-O 3.29Å; L581-V611 WeakPolarHBondContact CA-O 3.44Å; L581-V611 HydrophobicContact CB-CB 4.07Å; L581-V611 HydrophobicContact CD1-CB 4.11Å; L581-V611 HydrophobicContact CD1-CG1 3.83Å; L581-V611 HydrophobicContact CG-CB 3.81Å; L581-V611 HydrophobicContact CG-CG1 3.8Å; E582-V611 PolarHBondContact N-O 2.87Å; E582-V611 VanDerWaalsContact N-O 3.13Å; V611-L657 HydrophobicContact CG1-CD1 3.96Å; V611-L657 HydrophobicContact CG1-CD2 3.85Å; V611-F755 HydrophobicContact CB-CZ 4.28Å; V611-F755 HydrophobicContact CG1-CD1 3.97Å; V611-F755 HydrophobicContact CG1-CD2 4.34Å; V611-F755 HydrophobicContact CG1-CE1 3.71Å; V611-F755 HydrophobicContact CG1-CE2 4.1Å; V611-F755 HydrophobicContact CG1-CG 4.32Å; V611-F755 HydrophobicContact CG1-CZ 3.79Å; V611-F755 HydrophobicContact CG2-CE1 4.25Å; V611-F755 HydrophobicContact CG2-CE2 3.82Å; V611-F755 HydrophobicContact CG2-CZ 3.55Å
612I97.9Very high94.3Very high1 Ų136.3 Ų36.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-115.3120.2-170.1-45.5-61.6000109.3V453 I454 P455 H458 E582 H584 F587 F591 L610V453-I612 HydrophobicContact CG1-CG1 4.11Å; I454-I612 PolarHBondContact O-N 3.01Å; P455-I612 WeakPolarHBondContact CD-O 3.42Å; H458-I612 HydrophobicContact CB-CG1 4.29Å; E582-I612 WeakPolarHBondContact O-CA 3.44Å; H584-I612 HydrophobicContact CB-CG2 4.04Å; F587-I612 HydrophobicContact CE1-CD1 4.36Å; F587-I612 HydrophobicContact CE2-CD1 3.71Å; F587-I612 HydrophobicContact CE2-CG1 3.86Å; F587-I612 HydrophobicContact CE2-CG2 4.04Å; F587-I612 HydrophobicContact CZ-CD1 3.55Å; F587-I612 HydrophobicContact CZ-CG1 3.75Å; F591-I612 HydrophobicContact CD2-CD1 4.27Å; F591-I612 HydrophobicContact CE2-CD1 3.41Å; F591-I612 VanDerWaalsContact CE2-CD1 3.41Å; F591-I612 HydrophobicContact CZ-CD1 4.02Å; L610-I612 HydrophobicContact CB-CD1 4.16Å
613H96.9Very high93.7Very high13 Ų1342.3 Ų42.36%0.0624%0.235CC..EExtended strand (participates in β ladder)trans-103157.7168.167.375.5000111.3L85 N86 L89 E582 G583 H584 L657L85-H613 HydrophobicContact CD2-CB 4.39Å; N86-H613 WeakPolarHBondContact CB-NE2 3.41Å; N86-H613 PolarHBondContact ND2-NE2 3.41Å; L89-H613 HydrophobicContact CD1-CB 3.85Å; E582-H613 VanDerWaalsContact C-CD2 3.49Å; E582-H613 PolarHBondContact O-CD2 3.35Å; E582-H613 PolarHBondContact O-N 3.36Å; E582-H613 VanDerWaalsContact O-N 3.12Å; G583-H613 VanDerWaalsContact CA-CE1 3.48Å; G583-H613 WeakPolarHBondContact CA-CE1 3.34Å; G583-H613 WeakPolarHBondContact CA-O 3.49Å; G583-H613 PolarHBondContact N-CE1 3.35Å; G583-H613 PolarHBondContact N-NE2 3.13Å; H584-H613 PolarHBondContact N-O 2.93Å; H613-L657 HydrophobicContact CB-CD2 4.1Å
614G93Very high93.1Very high6 Ų641.6 Ų41.66%0.06222%0.218CC..  trans-76.9-174.7175.900000114.7D658 T659G614-D658 WeakPolarHBondContact CA-O 3.43Å; G614-D658 PolarHBondContact N-O 2.98Å; G614-D658 VanDerWaalsContact N-O 3.09Å; G614-T659 WeakPolarHBondContact CA-O 3.44Å
615F92.5Very high92.1Very high109 Ų10941.9 Ų41.948%0.47822%0.22SC..EExtended strand (participates in β ladder)trans-88.8147.9176-75.5-83.2000111.6H584 D585 T659 C661H584-F615 HydrophobicContact CB-CE2 4.14Å; D585-F615 HydrophobicContact CB-CE1 4.43Å; D585-F615 HydrophobicContact CB-CZ 3.69Å; D585-F615 VanDerWaalsContact OD1-CZ 3.25Å; D585-F615 WeakPolarHBondContact OD1-CZ 3.34Å; F615-T659 PolarHBondContact N-O 3.2Å; F615-T659 VanDerWaalsContact N-O 3.15Å; F615-C661 PolarHBondContact O-N 3.12Å
616V93.8Very high90.9Very high18 Ų1851.8 Ų51.811%0.10926%0.262CS..EExtended strand (participates in β ladder)trans-83.2125.9171.8-159.20000109.8A81 L85 M624 W651 C661 L663A81-V616 HydrophobicContact CB-CG1 4.12Å; A81-V616 HydrophobicContact CB-CG2 4.5Å; L85-V616 HydrophobicContact CB-CG2 4.27Å; L85-V616 HydrophobicContact CD2-CG2 3.94Å; V616-M624 HydrophobicContact CB-CE 3.54Å; V616-M624 HydrophobicContact CG1-CE 3.16Å; V616-W651 HydrophobicContact CG1-CH2 3.75Å; V616-W651 HydrophobicContact CG1-CZ2 3.59Å; V616-W651 HydrophobicContact CG2-CH2 4.05Å; V616-C661 VanDerWaalsContact CA-O 3.31Å; V616-C661 WeakPolarHBondContact CA-O 3.42Å; V616-C661 VanDerWaalsContact CG1-O 3.28Å; V616-C661 WeakPolarHBondContact CG1-O 3.46Å; V616-C661 HydrophobicContact CG2-CB 4.43Å; V616-L663 HydrophobicContact CG1-CB 3.74Å; V616-L663 HydrophobicContact CG1-CD2 4.18Å
617A92.8Very high89.5Confident5 Ų557.1 Ų57.14%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-120.6163.5177.900000110.6R622 V660 C661 L663A617-R622 WeakPolarHBondContact CA-O 3.31Å; A617-R622 WeakPolarHBondContact CB-O 3.47Å; A617-V660 HydrophobicContact CB-CG1 3.56Å; A617-C661 PolarHBondContact N-O 2.89Å; A617-L663 PolarHBondContact O-N 2.63Å
618D91.9Very high88.3Confident10 Ų1061.8 Ų61.85%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-66.5174.4171.172.311.4000111.7C620 G621 R622 M624 N630 L663D618-C620 PolarHBondContact O-N 3.35Å; D618-C620 WeakPolarHBondContact OD1-CA 3.43Å; D618-C620 WeakPolarHBondContact OD1-CB 3.33Å; D618-C620 PolarHBondContact OD1-N 3.49Å; D618-G621 PolarHBondContact O-N 3.27Å; D618-G621 PolarHBondContact OD1-N 3.4Å; D618-G621 VanDerWaalsContact OD1-N 3.14Å; D618-R622 PolarHBondContact N-O 3.35Å; D618-R622 WeakPolarHBondContact OD1-CB 3.36Å; D618-R622 PolarHBondContact OD1-N 3.5Å; D618-R622 IonicContact OD1-NE 3.98Å; D618-R622 IonicContact OD2-CZ 3.61Å; D618-R622 VanDerWaalsContact OD2-CZ 3.22Å; D618-R622 IonicContact OD2-NE 3.78Å; D618-R622 PolarHBondContact OD2-NE 3Å; D618-R622 IonicContact OD2-NH2 3.6Å; D618-R622 PolarHBondContact OD2-NH2 3.28Å; D618-M624 HydrophobicContact CB-CG 4.46Å; D618-N630 HydrophobicContact CB-CB 4.25Å; D618-N630 PolarHBondContact OD2-ND2 3.41Å; D618-L663 WeakPolarHBondContact CA-O 3.42Å
619S91.1Very high87.4Confident52 Ų5260.1 Ų60.136%0.36434%0.337SS..THydrogen-bonded Turntrans-59.1-12.7178.3-520000114.4L663 G664 E667S619-L663 PolarHBondContact N-O 3.42Å; S619-G664 VanDerWaalsContact OG-CA 3.31Å; S619-G664 WeakPolarHBondContact OG-CA 3.38Å; S619-E667 PolarHBondContact OG-OE2 2.99Å
620C88.8Confident86.8Confident98 Ų9859.1 Ų59.166%0.66233%0.332SS*.THydrogen-bonded Turntrans-1004.1175.9-60.60000112.9D618 R622D618-C620 PolarHBondContact O-N 3.35Å; D618-C620 WeakPolarHBondContact OD1-CA 3.43Å; D618-C620 WeakPolarHBondContact OD1-CB 3.33Å; D618-C620 PolarHBondContact OD1-N 3.49Å; C620-R622 VanDerWaalsContact C-N 3.31Å; C620-R622 HydrophobicContact CB-CG 4.31Å; C620-R622 PolarHBondContact O-N 3.03Å
621G87.9Confident85.9Confident37 Ų3761.1 Ų61.138%0.38135%0.352SS..SBendtrans78.410.8-178.400000114.2D618D618-G621 PolarHBondContact O-N 3.27Å; D618-G621 PolarHBondContact OD1-N 3.4Å; D618-G621 VanDerWaalsContact OD1-N 3.14Å
622R85Confident85.4Confident134 Ų13463.4 Ų63.451%0.50636%0.364SS..PPolyproline II helixtrans-85.3145.2179-55.8174.4-62.1-176.32.2110.5A617 D618 C620 M624A617-R622 WeakPolarHBondContact CA-O 3.31Å; A617-R622 WeakPolarHBondContact CB-O 3.47Å; D618-R622 PolarHBondContact N-O 3.35Å; D618-R622 WeakPolarHBondContact OD1-CB 3.36Å; D618-R622 PolarHBondContact OD1-N 3.5Å; D618-R622 IonicContact OD1-NE 3.98Å; D618-R622 IonicContact OD2-CZ 3.61Å; D618-R622 VanDerWaalsContact OD2-CZ 3.22Å; D618-R622 IonicContact OD2-NE 3.78Å; D618-R622 PolarHBondContact OD2-NE 3Å; D618-R622 IonicContact OD2-NH2 3.6Å; D618-R622 PolarHBondContact OD2-NH2 3.28Å; C620-R622 VanDerWaalsContact C-N 3.31Å; C620-R622 HydrophobicContact CB-CG 4.31Å; C620-R622 PolarHBondContact O-N 3.03Å; R622-M624 PolarHBondContact O-N 3.18Å
623K82.5Confident85Confident169 Ų16965.6 Ų65.674%0.73538%0.377SS*.BIsolated β-bridgetrans-54.9130.8173.8-174.1177-179.7178.80109.8N630K623-N630 PolarHBondContact O-ND2 3.43Å
624M82.6Confident84.8Confident37 Ų3765 Ų6518%0.18238%0.375CS..PPolyproline II helixtrans-73.6130.7174.8-79.1-170.5-91.300110.7A81 V616 D618 R622 N630 L663A81-M624 HydrophobicContact CB-CE 4.4Å; V616-M624 HydrophobicContact CB-CE 3.54Å; V616-M624 HydrophobicContact CG1-CE 3.16Å; D618-M624 HydrophobicContact CB-CG 4.46Å; R622-M624 PolarHBondContact O-N 3.18Å; M624-N630 WeakPolarHBondContact CA-OD1 3.45Å; M624-L663 HydrophobicContact CE-CB 4.23Å; M624-L663 HydrophobicContact CE-CD2 4.24Å
625S73.8Confident84.7Confident35 Ų3572.6 Ų72.625%0.24541%0.406CS..  trans-150.9155.917666.60000111.4S627 L628 G629 N630S625-S627 VanDerWaalsContact C-N 3.3Å; S625-S627 PolarHBondContact O-N 3.25Å; S625-S627 PolarHBondContact OG-OG 2.81Å; S625-L628 PolarHBondContact O-N 3.23Å; S625-L628 WeakPolarHBondContact OG-CB 3.46Å; S625-L628 VanDerWaalsContact OG-CG 3.3Å; S625-L628 WeakPolarHBondContact OG-CG 3.45Å; S625-L628 PolarHBondContact OG-N 3.3Å; S625-G629 PolarHBondContact O-N 3.5Å; S625-N630 PolarHBondContact N-OD1 2.94Å; S625-N630 PolarHBondContact O-OD1 3.07Å
626K71Confident84.6Confident211 Ų21172.3 Ų72.392%0.91741%0.406SS*.THydrogen-bonded Turntrans-62.7-37.8174.9-73.2-174.8179-179.30111.9L628 G629K626-L628 VanDerWaalsContact C-N 3.33Å; K626-L628 PolarHBondContact O-N 2.94Å; K626-G629 PolarHBondContact O-N 2.96Å; K626-G629 VanDerWaalsContact O-N 3.15Å
627S68Low84.5Confident114 Ų11471.7 Ų71.780%0.79740%0.402SS*.THydrogen-bonded Turntrans-65.5-34.3-179.449.30000113S625 G629S625-S627 VanDerWaalsContact C-N 3.3Å; S625-S627 PolarHBondContact O-N 3.25Å; S625-S627 PolarHBondContact OG-OG 2.81Å; S627-G629 VanDerWaalsContact C-N 3.31Å
628L71.9Confident84.4Confident101 Ų10172.6 Ų72.653%0.52941%0.406SS..THydrogen-bonded Turntrans-82-7.9175.7-68174.5000113.5S625 K626 N630S625-L628 PolarHBondContact O-N 3.23Å; S625-L628 WeakPolarHBondContact OG-CB 3.46Å; S625-L628 VanDerWaalsContact OG-CG 3.3Å; S625-L628 WeakPolarHBondContact OG-CG 3.45Å; S625-L628 PolarHBondContact OG-N 3.3Å; K626-L628 VanDerWaalsContact C-N 3.33Å; K626-L628 PolarHBondContact O-N 2.94Å; L628-N630 HydrophobicContact CB-CB 4.47Å; L628-N630 WeakPolarHBondContact CB-OD1 3.28Å; L628-N630 PolarHBondContact O-N 3.49Å
629G79.7Confident84.4Confident70 Ų7075.8 Ų75.872%0.72243%0.429SS*.THydrogen-bonded Turntrans6114.7-178.200000114.4S625 K626 S627S625-G629 PolarHBondContact O-N 3.5Å; K626-G629 PolarHBondContact O-N 2.96Å; K626-G629 VanDerWaalsContact O-N 3.15Å; S627-G629 VanDerWaalsContact C-N 3.31Å
630N84.4Confident84.3Confident21 Ų2176.7 Ų76.711%0.11244%0.435CS..  trans-101.74.5-175.769-16.9000113.2D618 K623 M624 S625 L628D618-N630 HydrophobicContact CB-CB 4.25Å; D618-N630 PolarHBondContact OD2-ND2 3.41Å; K623-N630 PolarHBondContact O-ND2 3.43Å; M624-N630 WeakPolarHBondContact CA-OD1 3.45Å; S625-N630 PolarHBondContact N-OD1 2.94Å; S625-N630 PolarHBondContact O-OD1 3.07Å; L628-N630 HydrophobicContact CB-CB 4.47Å; L628-N630 WeakPolarHBondContact CB-OD1 3.28Å; L628-N630 PolarHBondContact O-N 3.49Å
631G81.1Confident84.4Confident41 Ų4173.5 Ų73.542%0.42341%0.411SS..  trans-75.3127.517800000111.9
632I86.1Confident84.4Confident50 Ų5077.3 Ų77.326%0.25642%0.422SS..  trans-110.7123.2170.9-63166.8000108.2L637 L663I632-L637 HydrophobicContact CG2-CB 4.2Å; I632-L663 HydrophobicContact CB-CD2 4.24Å; I632-L663 HydrophobicContact CD1-CG 4.37Å; I632-L663 HydrophobicContact CG2-CD2 4.45Å
633T90.3Very high84.6Confident46 Ų4672.3 Ų72.328%0.28241%0.413SS..  trans-81.9152.7175.665.90000111.2K635 E636 L637T633-K635 PolarHBondContact O-N 2.94Å; T633-E636 WeakPolarHBondContact CB-OE2 3.37Å; T633-E636 PolarHBondContact N-OE2 3.33Å; T633-E636 PolarHBondContact O-N 3.02Å; T633-E636 WeakPolarHBondContact OG1-CB 3.13Å; T633-E636 WeakPolarHBondContact OG1-CG 3.24Å; T633-E636 PolarHBondContact OG1-N 3.5Å; T633-E636 PolarHBondContact OG1-OE2 3.21Å; T633-L637 WeakPolarHBondContact O-CB 3.49Å; T633-L637 PolarHBondContact O-N 3.45Å
634P92.3Very high85Confident2 Ų264.7 Ų64.71%0.01338%0.38CS..Hα-helixtrans-56.2-36172.4-2636.2000112.6L79 A84 W155 L637 I638 M648L79-P634 WeakPolarHBondContact O-CD 3.5Å; A84-P634 HydrophobicContact CB-CB 4.31Å; A84-P634 HydrophobicContact CB-CG 4Å; W155-P634 HydrophobicContact CH2-CB 3.98Å; W155-P634 HydrophobicContact CH2-CG 3.83Å; W155-P634 HydrophobicContact CZ2-CB 3.38Å; W155-P634 HydrophobicContact CZ2-CG 3.72Å; P634-L637 PolarHBondContact O-N 2.81Å; P634-I638 WeakPolarHBondContact O-CB 3.31Å; P634-I638 WeakPolarHBondContact O-CD1 3.32Å; P634-I638 VanDerWaalsContact O-CG1 3.24Å; P634-I638 WeakPolarHBondContact O-CG1 3.34Å; P634-I638 PolarHBondContact O-N 2.98Å; P634-M648 HydrophobicContact CB-SD 3.86Å
635K91Very high85.5Confident165 Ų16563.6 Ų63.672%0.71738%0.376SS*.Hα-helixtrans-63.2-45.2178-172.5177.2-178.7177.70111.8T633 S639T633-K635 PolarHBondContact O-N 2.94Å; K635-S639 WeakPolarHBondContact O-CB 3.47Å; K635-S639 PolarHBondContact O-N 2.84Å; K635-S639 PolarHBondContact O-OG 3.42Å
636E90.8Very high86.6Confident103 Ų10362 Ų6248%0.48137%0.365SS..Hα-helixtrans-66.4-40.1174.8-71.4159161.700111.9T633 S639 S640T633-E636 WeakPolarHBondContact CB-OE2 3.37Å; T633-E636 PolarHBondContact N-OE2 3.33Å; T633-E636 PolarHBondContact O-N 3.02Å; T633-E636 WeakPolarHBondContact OG1-CB 3.13Å; T633-E636 WeakPolarHBondContact OG1-CG 3.24Å; T633-E636 PolarHBondContact OG1-N 3.5Å; T633-E636 PolarHBondContact OG1-OE2 3.21Å; E636-S639 WeakPolarHBondContact CA-OG 3.41Å; E636-S639 PolarHBondContact O-N 3.17Å; E636-S639 PolarHBondContact O-OG 3.27Å; E636-S640 WeakPolarHBondContact O-CB 3.16Å; E636-S640 PolarHBondContact O-N 2.99Å
637L91.1Very high87.7Confident4 Ų452.2 Ų52.22%0.02132%0.322CS..Hα-helixtrans-60.2-51.8176.8-173.4169000110.5I632 T633 P634 S639 S640 Q641 M648 L663 I668I632-L637 HydrophobicContact CG2-CB 4.2Å; T633-L637 WeakPolarHBondContact O-CB 3.49Å; T633-L637 PolarHBondContact O-N 3.45Å; P634-L637 PolarHBondContact O-N 2.81Å; L637-S639 PolarHBondContact O-N 3.45Å; L637-S640 PolarHBondContact O-N 3.48Å; L637-S640 PolarHBondContact O-OG 3.31Å; L637-Q641 PolarHBondContact O-N 2.97Å; L637-M648 HydrophobicContact CD1-CG 4Å; L637-M648 HydrophobicContact CD2-CB 3.57Å; L637-M648 HydrophobicContact CD2-CG 3.82Å; L637-L663 HydrophobicContact CD1-CD1 3.88Å; L637-L663 HydrophobicContact CD1-CD2 4.32Å; L637-I668 HydrophobicContact CD1-CD1 3.64Å; L637-I668 HydrophobicContact CD1-CG1 4.27Å; L637-I668 HydrophobicContact CD2-CD1 4.07Å; L637-I668 HydrophobicContact CG-CD1 3.8Å; L637-I668 HydrophobicContact CG-CG1 4.14Å
638I91.6Very high89Confident24 Ų2446.8 Ų46.812%0.12328%0.284CS..Hα-helixtrans-63.5-43.5179.9-68.9165000110.9P634 S640 Q641 G643 V645 M648P634-I638 WeakPolarHBondContact O-CB 3.31Å; P634-I638 WeakPolarHBondContact O-CD1 3.32Å; P634-I638 VanDerWaalsContact O-CG1 3.24Å; P634-I638 WeakPolarHBondContact O-CG1 3.34Å; P634-I638 PolarHBondContact O-N 2.98Å; I638-S640 VanDerWaalsContact C-N 3.35Å; I638-S640 PolarHBondContact O-N 3.45Å; I638-Q641 CarbonylContact O-C 3.51Å; I638-Q641 PolarHBondContact O-N 3.43Å; I638-Q641 VanDerWaalsContact O-N 3.13Å; I638-G643 WeakPolarHBondContact O-CA 3.41Å; I638-G643 PolarHBondContact O-N 3.43Å; I638-V645 HydrophobicContact CD1-CG2 4.35Å; I638-V645 HydrophobicContact CG2-CG2 4.42Å; I638-M648 HydrophobicContact CD1-CE 4.12Å; I638-M648 HydrophobicContact CD1-SD 3.91Å; I638-M648 HydrophobicContact CG1-CB 4.4Å; I638-M648 HydrophobicContact CG1-SD 4.05Å
639S90.5Very high90.2Very high78 Ų7842 Ų4255%0.54526%0.259SS..Hα-helixtrans-64.6-38.9179.471.40000112.1K635 E636 L637 Q641 N642K635-S639 WeakPolarHBondContact O-CB 3.47Å; K635-S639 PolarHBondContact O-N 2.84Å; K635-S639 PolarHBondContact O-OG 3.42Å; E636-S639 WeakPolarHBondContact CA-OG 3.41Å; E636-S639 PolarHBondContact O-N 3.17Å; E636-S639 PolarHBondContact O-OG 3.27Å; L637-S639 PolarHBondContact O-N 3.45Å; S639-Q641 PolarHBondContact O-N 3.01Å; S639-Q641 VanDerWaalsContact O-N 3.12Å; S639-N642 PolarHBondContact O-N 3.15Å; S639-N642 VanDerWaalsContact O-N 3.14Å
640S90.1Very high91.1Very high70 Ų7038.9 Ų38.949%0.4923%0.226SC..Hα-helixtrans-61.1-21.7175.680.40000113.4E636 L637 I638E636-S640 WeakPolarHBondContact O-CB 3.16Å; E636-S640 PolarHBondContact O-N 2.99Å; L637-S640 PolarHBondContact O-N 3.48Å; L637-S640 PolarHBondContact O-OG 3.31Å; I638-S640 VanDerWaalsContact C-N 3.35Å; I638-S640 PolarHBondContact O-N 3.45Å
641Q91Very high91.7Very high32 Ų3238 Ų3815%0.1522%0.221CC..THydrogen-bonded Turntrans-107.632.2179.9-56.9-50.7-53.600112.4L637 I638 S639 G643 C644 I647 I668 A672L637-Q641 PolarHBondContact O-N 2.97Å; I638-Q641 CarbonylContact O-C 3.51Å; I638-Q641 PolarHBondContact O-N 3.43Å; I638-Q641 VanDerWaalsContact O-N 3.13Å; S639-Q641 PolarHBondContact O-N 3.01Å; S639-Q641 VanDerWaalsContact O-N 3.12Å; Q641-G643 PolarHBondContact O-N 3.28Å; Q641-C644 HydrophobicContact CB-CB 4.41Å; Q641-C644 VanDerWaalsContact O-CB 3.24Å; Q641-C644 WeakPolarHBondContact O-CB 3.27Å; Q641-C644 PolarHBondContact O-N 3.42Å; Q641-I647 HydrophobicContact CB-CD1 3.93Å; Q641-I647 HydrophobicContact CG-CB 4.4Å; Q641-I647 HydrophobicContact CG-CD1 4.23Å; Q641-I647 HydrophobicContact CG-CG2 3.96Å; Q641-I668 HydrophobicContact CG-CG2 3.82Å; Q641-A672 VanDerWaalsContact OE1-CB 3.28Å
642N87.9Confident92.5Very high117 Ų11736.1 Ų36.163%0.62620%0.201SC*.THydrogen-bonded Turntrans54.236.9179-60.4-25.3000113.2S639 C644S639-N642 PolarHBondContact O-N 3.15Å; S639-N642 VanDerWaalsContact O-N 3.14Å; N642-C644 VanDerWaalsContact C-N 3.33Å; N642-C644 PolarHBondContact O-N 3.25Å
643G88.8Confident93.1Very high29 Ų2933.7 Ų33.730%0.29919%0.189SC..THydrogen-bonded Turntrans80.66.8179.600000114.9I638 Q641 V645I638-G643 WeakPolarHBondContact O-CA 3.41Å; I638-G643 PolarHBondContact O-N 3.43Å; Q641-G643 PolarHBondContact O-N 3.28Å; G643-V645 PolarHBondContact O-N 3.47Å; G643-V645 VanDerWaalsContact O-N 3.13Å
644C91.6Very high93.4Very high8 Ų835.3 Ų35.35%0.05419%0.19CC..  trans-77.999.5-177.2-168.90000112.3S38 Q641 N642 D646 I647S38-C644 WeakPolarHBondContact OG-CB 3.17Å; Q641-C644 HydrophobicContact CB-CB 4.41Å; Q641-C644 VanDerWaalsContact O-CB 3.24Å; Q641-C644 WeakPolarHBondContact O-CB 3.27Å; Q641-C644 PolarHBondContact O-N 3.42Å; N642-C644 VanDerWaalsContact C-N 3.33Å; N642-C644 PolarHBondContact O-N 3.25Å; C644-D646 VanDerWaalsContact C-N 3.33Å; C644-D646 PolarHBondContact O-N 3.01Å; C644-I647 HydrophobicContact CB-CD1 3.91Å; C644-I647 HydrophobicContact CB-CG1 4.27Å; C644-I647 PolarHBondContact O-N 2.82Å
645V93.5Very high93.6Very high15 Ų1535.6 Ų35.69%0.09119%0.192CC..Hα-helixtrans-63-38.1177.5177.60000112.2W155 I638 G643 I647 M648 R649 Y817W155-V645 HydrophobicContact CB-CG1 4.31Å; W155-V645 WeakPolarHBondContact O-CG1 3.25Å; I638-V645 HydrophobicContact CD1-CG2 4.35Å; I638-V645 HydrophobicContact CG2-CG2 4.42Å; G643-V645 PolarHBondContact O-N 3.47Å; G643-V645 VanDerWaalsContact O-N 3.13Å; V645-I647 PolarHBondContact O-N 3.41Å; V645-I647 VanDerWaalsContact O-N 3.12Å; V645-M648 WeakPolarHBondContact O-CA 3.42Å; V645-M648 VanDerWaalsContact O-CB 3.3Å; V645-M648 WeakPolarHBondContact O-CB 3.41Å; V645-M648 PolarHBondContact O-N 3.21Å; V645-R649 HydrophobicContact CG1-CG 4.08Å; V645-R649 PolarHBondContact O-N 2.95Å; V645-Y817 HydrophobicContact CB-CD2 4.18Å; V645-Y817 HydrophobicContact CB-CE2 3.89Å; V645-Y817 HydrophobicContact CG1-CD2 4.37Å; V645-Y817 HydrophobicContact CG1-CE2 3.82Å; V645-Y817 HydrophobicContact CG2-CE2 4.44Å
646D94.9Very high93.7Very high2 Ų227.8 Ų27.81%0.01116%0.158CC..Hα-helixtrans-59.6-26.5-178.3-85-9.1000113.5C644 R649 R650 Y675 L815 P816 Y817 L818C644-D646 VanDerWaalsContact C-N 3.33Å; C644-D646 PolarHBondContact O-N 3.01Å; D646-R649 PolarHBondContact O-N 3.39Å; D646-R650 VanDerWaalsContact O-CB 3.29Å; D646-R650 WeakPolarHBondContact O-CB 3.45Å; D646-R650 PolarHBondContact O-N 2.92Å; D646-Y675 HydrophobicContact CB-CD2 4.15Å; D646-Y675 HydrophobicContact CB-CE2 3.52Å; D646-L815 HydrophobicContact CB-CD2 4.06Å; D646-L815 WeakPolarHBondContact O-CD2 3.41Å; D646-P816 WeakPolarHBondContact OD1-CD 3.33Å; D646-Y817 WeakPolarHBondContact OD1-CD2 3.5Å; D646-L818 VanDerWaalsContact OD2-CB 3.25Å; D646-L818 WeakPolarHBondContact OD2-CB 3.25Å; D646-L818 PolarHBondContact OD2-N 3.01Å
647I95.6Very high93.9Very high5 Ų523.9 Ų23.93%0.02614%0.14CC..Hα-helixtrans-68.7-40.5175-68.9169.5000110.7Q641 C644 V645 R650 W651 I668 N671 A672 Y675Q641-I647 HydrophobicContact CB-CD1 3.93Å; Q641-I647 HydrophobicContact CG-CB 4.4Å; Q641-I647 HydrophobicContact CG-CD1 4.23Å; Q641-I647 HydrophobicContact CG-CG2 3.96Å; C644-I647 HydrophobicContact CB-CD1 3.91Å; C644-I647 HydrophobicContact CB-CG1 4.27Å; C644-I647 PolarHBondContact O-N 2.82Å; V645-I647 PolarHBondContact O-N 3.41Å; V645-I647 VanDerWaalsContact O-N 3.12Å; I647-R650 PolarHBondContact O-N 2.87Å; I647-W651 PolarHBondContact O-N 2.92Å; I647-I668 HydrophobicContact CG2-CG2 4.35Å; I647-N671 HydrophobicContact CG2-CB 4.44Å; I647-A672 HydrophobicContact CD1-CB 3.83Å; I647-A672 HydrophobicContact CG1-CB 4.46Å; I647-A672 HydrophobicContact CG2-CB 4.09Å; I647-Y675 HydrophobicContact CD1-CD1 4.14Å; I647-Y675 HydrophobicContact CD1-CG 4.45Å; I647-Y675 HydrophobicContact CG1-CD1 4Å; I647-Y675 HydrophobicContact CG1-CD2 4.33Å; I647-Y675 HydrophobicContact CG1-CG 3.84Å
648M95.5Very high94Very high0 Ų027.5 Ų27.50%016%0.16CC..Hα-helixtrans-63-44.8172.5-171.1-175.569.600110.9A84 V88 W155 P634 L637 I638 V645 R650 W651 A652A84-M648 HydrophobicContact CB-CE 3.99Å; A84-M648 HydrophobicContact CB-CG 4.42Å; A84-M648 HydrophobicContact CB-SD 3.68Å; V88-M648 HydrophobicContact CG2-CE 4.45Å; W155-M648 HydrophobicContact CB-CE 4.19Å; W155-M648 HydrophobicContact CD2-CE 3.75Å; W155-M648 HydrophobicContact CE3-CE 4.19Å; W155-M648 HydrophobicContact CG-CE 3.71Å; P634-M648 HydrophobicContact CB-SD 3.86Å; L637-M648 HydrophobicContact CD1-CG 4Å; L637-M648 HydrophobicContact CD2-CB 3.57Å; L637-M648 HydrophobicContact CD2-CG 3.82Å; I638-M648 HydrophobicContact CD1-CE 4.12Å; I638-M648 HydrophobicContact CD1-SD 3.91Å; I638-M648 HydrophobicContact CG1-CB 4.4Å; I638-M648 HydrophobicContact CG1-SD 4.05Å; V645-M648 WeakPolarHBondContact O-CA 3.42Å; V645-M648 VanDerWaalsContact O-CB 3.3Å; V645-M648 WeakPolarHBondContact O-CB 3.41Å; V645-M648 PolarHBondContact O-N 3.21Å; M648-R650 VanDerWaalsContact C-N 3.32Å; M648-R650 PolarHBondContact O-N 2.63Å; M648-W651 HydrophobicContact CG-CE3 4.46Å; M648-W651 WeakPolarHBondContact O-CB 3.36Å; M648-W651 PolarHBondContact O-N 2.94Å; M648-A652 PolarHBondContact O-N 3.46Å
649R97.4Very high94Very high0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-62.2-41.9178.8-63.3-179.461.299.72.2111.7V88 D91 W155 V645 D646 W651 A652 C653 P813 I814V88-R649 HydrophobicContact CG1-CB 4.06Å; V88-R649 HydrophobicContact CG1-CG 4.25Å; V88-R649 HydrophobicContact CG2-CB 4.48Å; V88-R649 HydrophobicContact CG2-CG 3.93Å; D91-R649 IonicContact OD2-CZ 2.63Å; D91-R649 IonicContact OD2-NH1 2.93Å; D91-R649 PolarHBondContact OD2-NH1 2.66Å; D91-R649 IonicContact OD2-NH2 3.92Å; D91-R649 PolarHBondContact OD2-NH2 2.93Å; W155-R649 PolarHBondContact O-NH1 3.36Å; V645-R649 HydrophobicContact CG1-CG 4.08Å; V645-R649 PolarHBondContact O-N 2.95Å; D646-R649 PolarHBondContact O-N 3.39Å; R649-W651 PolarHBondContact O-N 2.66Å; R649-A652 PolarHBondContact O-N 2.92Å; R649-C653 WeakPolarHBondContact O-CB 3.4Å; R649-C653 PolarHBondContact O-N 2.84Å; R649-C653 PolarHBondContact O-SG 3.35Å; R649-P813 PolarHBondContact NH2-O 2.9Å; R649-I814 WeakPolarHBondContact CB-O 3.25Å; R649-I814 PolarHBondContact NE-O 2.89Å
650R97.8Very high94.1Very high5 Ų530 Ų302%0.01917%0.173CC..Hα-helixtrans-58.6-47.1174.1-163.6-168-174.5-61.5-1111D646 I647 M648 C653 Y654 N671 L761 D765 L815D646-R650 VanDerWaalsContact O-CB 3.29Å; D646-R650 WeakPolarHBondContact O-CB 3.45Å; D646-R650 PolarHBondContact O-N 2.92Å; I647-R650 PolarHBondContact O-N 2.87Å; M648-R650 VanDerWaalsContact C-N 3.32Å; M648-R650 PolarHBondContact O-N 2.63Å; R650-C653 PolarHBondContact O-N 2.79Å; R650-Y654 VanDerWaalsContact O-CB 3.23Å; R650-Y654 WeakPolarHBondContact O-CB 3.5Å; R650-Y654 PolarHBondContact O-N 2.82Å; R650-N671 PolarHBondContact NH1-OD1 3.34Å; R650-L761 HydrophobicContact CG-CD1 3.95Å; R650-L761 HydrophobicContact CG-CD2 4.15Å; R650-D765 IonicContact CZ-OD2 3.2Å; R650-D765 IonicContact NH2-OD1 2.85Å; R650-D765 PolarHBondContact NH2-OD1 3.49Å; R650-D765 IonicContact NH2-OD2 3.97Å; R650-D765 PolarHBondContact NH2-OD2 3.37Å; R650-L815 HydrophobicContact CB-CD2 3.9Å; R650-L815 HydrophobicContact CG-CD2 4.36Å
651W97.3Very high94.3Very high3 Ų326.7 Ų26.71%0.01115%0.15CC..Hα-helixtrans-60.1-46.7176.816277.6000112.3A81 L85 V616 I647 M648 R649 C653 Y654 S655 H662 L663 I668A81-W651 HydrophobicContact CB-CH2 4.15Å; L85-W651 HydrophobicContact CB-CH2 4.34Å; L85-W651 HydrophobicContact CB-CZ3 4.46Å; V616-W651 HydrophobicContact CG1-CH2 3.75Å; V616-W651 HydrophobicContact CG1-CZ2 3.59Å; V616-W651 HydrophobicContact CG2-CH2 4.05Å; I647-W651 PolarHBondContact O-N 2.92Å; M648-W651 HydrophobicContact CG-CE3 4.46Å; M648-W651 WeakPolarHBondContact O-CB 3.36Å; M648-W651 PolarHBondContact O-N 2.94Å; R649-W651 PolarHBondContact O-N 2.66Å; W651-C653 VanDerWaalsContact C-N 3.34Å; W651-C653 PolarHBondContact O-N 3.4Å; W651-Y654 PolarHBondContact O-N 3.48Å; W651-S655 PolarHBondContact O-N 3.03Å; W651-S655 PolarHBondContact O-OG 2.91Å; W651-H662 PolarHBondContact NE1-O 2.88Å; W651-L663 HydrophobicContact CD2-CD1 4.08Å; W651-L663 HydrophobicContact CG-CD1 4.43Å; W651-L663 HydrophobicContact CH2-CD2 4.17Å; W651-L663 HydrophobicContact CZ2-CB 3.77Å; W651-L663 HydrophobicContact CZ2-CD1 4.05Å; W651-L663 HydrophobicContact CZ2-CD2 4.09Å; W651-L663 HydrophobicContact CZ2-CG 4.19Å; W651-I668 HydrophobicContact CB-CD1 3.94Å; W651-I668 HydrophobicContact CD2-CD1 4.47Å; W651-I668 HydrophobicContact CG-CD1 3.89Å
652A97.7Very high94.4Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-60-45.1178.200000111.3L85 V88 M648 R649 S655 G656L85-A652 HydrophobicContact CD1-CB 4.02Å; L85-A652 WeakPolarHBondContact CD1-O 3.26Å; V88-A652 HydrophobicContact CB-CB 3.88Å; V88-A652 HydrophobicContact CG1-CB 3.85Å; V88-A652 HydrophobicContact CG2-CB 4.34Å; M648-A652 PolarHBondContact O-N 3.46Å; R649-A652 PolarHBondContact O-N 2.92Å; A652-S655 PolarHBondContact O-N 3.47Å; A652-G656 PolarHBondContact O-N 3.24Å
653C98.2Very high94.7Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-69-36177.1-65.10000112.7R649 R650 W651 S655 G656 Y757 N758 L761 I814R649-C653 WeakPolarHBondContact O-CB 3.4Å; R649-C653 PolarHBondContact O-N 2.84Å; R649-C653 PolarHBondContact O-SG 3.35Å; R650-C653 PolarHBondContact O-N 2.79Å; W651-C653 VanDerWaalsContact C-N 3.34Å; W651-C653 PolarHBondContact O-N 3.4Å; C653-S655 PolarHBondContact O-N 2.88Å; C653-G656 PolarHBondContact O-N 3.19Å; C653-Y757 HydrophobicContact CB-CD2 4.11Å; C653-Y757 HydrophobicContact CB-CG 4.37Å; C653-Y757 WeakPolarHBondContact O-CB 3.37Å; C653-N758 PolarHBondContact O-N 2.67Å; C653-L761 HydrophobicContact CB-CD1 4.06Å; C653-I814 HydrophobicContact CB-CG2 3.87Å
654Y97.2Very high94.8Very high80 Ų8022.5 Ų22.531%0.31412%0.12SC..Hα-helixtrans-67.3-28175.4-163.2-92.3000112.3R650 W651 N758 L761R650-Y654 VanDerWaalsContact O-CB 3.23Å; R650-Y654 WeakPolarHBondContact O-CB 3.5Å; R650-Y654 PolarHBondContact O-N 2.82Å; W651-Y654 PolarHBondContact O-N 3.48Å; Y654-N758 HydrophobicContact CD2-CB 4.37Å; Y654-N758 WeakPolarHBondContact O-CB 3.46Å; Y654-L761 HydrophobicContact CD2-CB 4.22Å; Y654-L761 HydrophobicContact CD2-CD1 4.23Å
655S95.6Very high94.7Very high7 Ų726.7 Ų26.75%0.04915%0.15CC..Hα-helixtrans-78-34.3171.2-50.80000111.8W651 A652 C653 L657 D658W651-S655 PolarHBondContact O-N 3.03Å; W651-S655 PolarHBondContact O-OG 2.91Å; A652-S655 PolarHBondContact O-N 3.47Å; C653-S655 PolarHBondContact O-N 2.88Å; S655-L657 PolarHBondContact O-N 3.15Å; S655-D658 VanDerWaalsContact O-CB 3.29Å; S655-D658 WeakPolarHBondContact O-CB 3.25Å; S655-D658 VanDerWaalsContact O-CG 3.25Å; S655-D658 PolarHBondContact O-N 3.3Å
656G92.9Very high94.6Very high1 Ų133 Ų331%0.0118%0.176CC..THydrogen-bonded Turntrans56.3-124.3172.800000112.7L89 A652 C653L89-G656 WeakPolarHBondContact CD1-O 3.36Å; A652-G656 PolarHBondContact O-N 3.24Å; C653-G656 PolarHBondContact O-N 3.19Å
657L95.8Very high94.6Very high21 Ų2134.2 Ų34.211%0.1118%0.182CC..THydrogen-bonded Turntrans-106.322.9178-53.2-173.2000112.7L89 I454 P455 V611 H613 S655 F755L89-L657 HydrophobicContact CD1-CD2 4.27Å; I454-L657 HydrophobicContact CG2-CD1 3.84Å; P455-L657 HydrophobicContact CG-CB 4.18Å; P455-L657 HydrophobicContact CG-CD1 4.3Å; V611-L657 HydrophobicContact CG1-CD1 3.96Å; V611-L657 HydrophobicContact CG1-CD2 3.85Å; H613-L657 HydrophobicContact CB-CD2 4.1Å; S655-L657 PolarHBondContact O-N 3.15Å; L657-F755 HydrophobicContact CD1-CB 3.52Å; L657-F755 HydrophobicContact CD1-CD1 4.47Å; L657-F755 HydrophobicContact CD1-CD2 4.1Å; L657-F755 HydrophobicContact CD1-CG 3.8Å; L657-F755 HydrophobicContact CD2-CB 4.24Å; L657-F755 HydrophobicContact CD2-CD1 4.39Å; L657-F755 HydrophobicContact CD2-CG 4.45Å; L657-F755 HydrophobicContact CG-CB 3.64Å; L657-F755 HydrophobicContact CG-CG 4.23Å
658D93.1Very high94.5Very high80 Ų8034.4 Ų34.443%0.42818%0.183SC..  trans-58.5143.6174-72.7-8.9000110.3G614 S655 V660G614-D658 WeakPolarHBondContact CA-O 3.43Å; G614-D658 PolarHBondContact N-O 2.98Å; G614-D658 VanDerWaalsContact N-O 3.09Å; S655-D658 VanDerWaalsContact O-CB 3.29Å; S655-D658 WeakPolarHBondContact O-CB 3.25Å; S655-D658 VanDerWaalsContact O-CG 3.25Å; S655-D658 PolarHBondContact O-N 3.3Å; D658-V660 PolarHBondContact O-N 3.43Å
659T91Very high94.4Very high95 Ų9537.9 Ų37.958%0.58321%0.207SC*.SBendtrans-63.9-31.7-179.6-47.80000112.3G614 F615G614-T659 WeakPolarHBondContact CA-O 3.44Å; F615-T659 PolarHBondContact N-O 3.2Å; F615-T659 VanDerWaalsContact N-O 3.15Å
660V93.3Very high94.3Very high60 Ų6042.7 Ų42.736%0.36423%0.229SC..EExtended strand (participates in β ladder)trans-131.2113.3176.1-1780000109.3A617 D658 H662A617-V660 HydrophobicContact CB-CG1 3.56Å; D658-V660 PolarHBondContact O-N 3.43Å; V660-H662 PolarHBondContact O-ND1 3.39Å
661C93.9Very high94.2Very high1 Ų142.8 Ų42.81%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-94.3105.3-180-56.20000109.3L85 F615 V616 A617L85-C661 HydrophobicContact CD2-CB 4.1Å; L85-C661 VanDerWaalsContact CD2-SG 3.55Å; F615-C661 PolarHBondContact O-N 3.12Å; V616-C661 VanDerWaalsContact CA-O 3.31Å; V616-C661 WeakPolarHBondContact CA-O 3.42Å; V616-C661 VanDerWaalsContact CG1-O 3.28Å; V616-C661 WeakPolarHBondContact CG1-O 3.46Å; V616-C661 HydrophobicContact CG2-CB 4.43Å; A617-C661 PolarHBondContact N-O 2.89Å
662H94.4Very high94.1Very high83 Ų8342.7 Ų42.738%0.38423%0.23SC..EExtended strand (participates in β ladder)trans-74.4134.2-177.4-61.785.1000111.3W651 V660 E667W651-H662 PolarHBondContact NE1-O 2.88Å; V660-H662 PolarHBondContact O-ND1 3.39Å; H662-E667 HydrophobicContact CB-CG 4.2Å
663L94.1Very high94Very high1 Ų145.5 Ų45.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-136.8121.8176.6-18061.6000111.5A81 V616 A617 D618 S619 M624 I632 L637 W651 I668A81-L663 HydrophobicContact CB-CD2 3.35Å; V616-L663 HydrophobicContact CG1-CB 3.74Å; V616-L663 HydrophobicContact CG1-CD2 4.18Å; A617-L663 PolarHBondContact O-N 2.63Å; D618-L663 WeakPolarHBondContact CA-O 3.42Å; S619-L663 PolarHBondContact N-O 3.42Å; M624-L663 HydrophobicContact CE-CB 4.23Å; M624-L663 HydrophobicContact CE-CD2 4.24Å; I632-L663 HydrophobicContact CB-CD2 4.24Å; I632-L663 HydrophobicContact CD1-CG 4.37Å; I632-L663 HydrophobicContact CG2-CD2 4.45Å; L637-L663 HydrophobicContact CD1-CD1 3.88Å; L637-L663 HydrophobicContact CD1-CD2 4.32Å; W651-L663 HydrophobicContact CD2-CD1 4.08Å; W651-L663 HydrophobicContact CG-CD1 4.43Å; W651-L663 HydrophobicContact CH2-CD2 4.17Å; W651-L663 HydrophobicContact CZ2-CB 3.77Å; W651-L663 HydrophobicContact CZ2-CD1 4.05Å; W651-L663 HydrophobicContact CZ2-CD2 4.09Å; W651-L663 HydrophobicContact CZ2-CG 4.19Å; L663-I668 HydrophobicContact CD1-CD1 3.56Å; L663-I668 HydrophobicContact CD1-CG1 3.61Å
664G90.5Very high94Very high6 Ų646.7 Ų46.76%0.06226%0.262CS..SBendtrans-168-171.8167.300000111.6S619 K666 E667 I668S619-G664 VanDerWaalsContact OG-CA 3.31Å; S619-G664 WeakPolarHBondContact OG-CA 3.38Å; G664-K666 PolarHBondContact O-N 3.26Å; G664-E667 WeakPolarHBondContact CA-OE2 3.36Å; G664-E667 PolarHBondContact N-OE2 2.84Å; G664-E667 PolarHBondContact O-N 3.1Å; G664-I668 WeakPolarHBondContact O-CG1 3.23Å; G664-I668 PolarHBondContact O-N 3.29Å; G664-I668 VanDerWaalsContact O-N 3.08Å
665S89Confident93.9Very high96 Ų9643.3 Ų43.367%0.67125%0.248SC*.Hα-helixtrans-59.9-34.3-176.858.10000112.6S669S665-S669 VanDerWaalsContact O-CB 3.22Å; S665-S669 WeakPolarHBondContact O-CB 3.4Å; S665-S669 PolarHBondContact O-N 2.98Å; S665-S669 PolarHBondContact O-OG 3.46Å
666K92.1Very high93.9Very high146 Ų14647.1 Ų47.164%0.63526%0.264SS*.Hα-helixtrans-64.2-54.9176.9-179.8-172.1172.5-166.40111.4G664 I668 S669 Q670G664-K666 PolarHBondContact O-N 3.26Å; K666-I668 VanDerWaalsContact C-N 3.33Å; K666-I668 PolarHBondContact O-N 3.31Å; K666-S669 PolarHBondContact O-N 3.31Å; K666-Q670 PolarHBondContact O-N 3.39Å
667E94.5Very high94Very high29 Ų2949.5 Ų49.514%0.13628%0.284CS..Hα-helixtrans-63-40.8-176.4-67.368-143.400111.2S619 H662 G664 Q670 N671S619-E667 PolarHBondContact OG-OE2 2.99Å; H662-E667 HydrophobicContact CB-CG 4.2Å; G664-E667 WeakPolarHBondContact CA-OE2 3.36Å; G664-E667 PolarHBondContact N-OE2 2.84Å; G664-E667 PolarHBondContact O-N 3.1Å; E667-Q670 PolarHBondContact O-N 2.86Å; E667-N671 PolarHBondContact O-N 2.69Å; E667-N671 VanDerWaalsContact O-N 3.09Å; E667-N671 PolarHBondContact O-ND2 2.9Å
668I93.5Very high94Very high9 Ų948.8 Ų48.85%0.04628%0.28CS..Hα-helixtrans-68.1-41.7176.3-64.8-57.8000111.7L637 Q641 I647 W651 L663 G664 K666 Q670 N671 A672L637-I668 HydrophobicContact CD1-CD1 3.64Å; L637-I668 HydrophobicContact CD1-CG1 4.27Å; L637-I668 HydrophobicContact CD2-CD1 4.07Å; L637-I668 HydrophobicContact CG-CD1 3.8Å; L637-I668 HydrophobicContact CG-CG1 4.14Å; Q641-I668 HydrophobicContact CG-CG2 3.82Å; I647-I668 HydrophobicContact CG2-CG2 4.35Å; W651-I668 HydrophobicContact CB-CD1 3.94Å; W651-I668 HydrophobicContact CD2-CD1 4.47Å; W651-I668 HydrophobicContact CG-CD1 3.89Å; L663-I668 HydrophobicContact CD1-CD1 3.56Å; L663-I668 HydrophobicContact CD1-CG1 3.61Å; G664-I668 WeakPolarHBondContact O-CG1 3.23Å; G664-I668 PolarHBondContact O-N 3.29Å; G664-I668 VanDerWaalsContact O-N 3.08Å; K666-I668 VanDerWaalsContact C-N 3.33Å; K666-I668 PolarHBondContact O-N 3.31Å; I668-Q670 VanDerWaalsContact C-N 3.3Å; I668-Q670 PolarHBondContact O-N 3.38Å; I668-N671 PolarHBondContact O-N 2.98Å; I668-A672 VanDerWaalsContact O-CB 3.28Å; I668-A672 WeakPolarHBondContact O-CB 3.34Å; I668-A672 PolarHBondContact O-N 3.46Å
669S93.7Very high94.2Very high72 Ų7245 Ų4550%0.50326%0.259SS..Hα-helixtrans-61.8-38.9177.1-63.50000112.2S665 K666 A672 A673S665-S669 VanDerWaalsContact O-CB 3.22Å; S665-S669 WeakPolarHBondContact O-CB 3.4Å; S665-S669 PolarHBondContact O-N 2.98Å; S665-S669 PolarHBondContact O-OG 3.46Å; K666-S669 PolarHBondContact O-N 3.31Å; S669-A672 PolarHBondContact O-N 3.48Å; S669-A673 WeakPolarHBondContact O-CB 3.33Å; S669-A673 PolarHBondContact O-N 2.87Å
670Q95.5Very high94.3Very high102 Ų10243.1 Ų43.148%0.47725%0.246SC..Hα-helixtrans-65.5-45.8176.2-176.5177.2-6.300112K666 E667 I668 A672 A673 S674K666-Q670 PolarHBondContact O-N 3.39Å; E667-Q670 PolarHBondContact O-N 2.86Å; I668-Q670 VanDerWaalsContact C-N 3.3Å; I668-Q670 PolarHBondContact O-N 3.38Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.9Å; Q670-A673 PolarHBondContact O-N 3.41Å; Q670-S674 PolarHBondContact O-N 3.25Å; Q670-S674 VanDerWaalsContact O-N 3.07Å; Q670-S674 PolarHBondContact O-OG 2.92Å
671N96.2Very high94.5Very high6 Ų641 Ų413%0.03223%0.233CC..Hα-helixtrans-63.8-39.3176.1-82.6-78.3000111.8I647 R650 E667 I668 S674 Y675I647-N671 HydrophobicContact CG2-CB 4.44Å; R650-N671 PolarHBondContact NH1-OD1 3.34Å; E667-N671 PolarHBondContact O-N 2.69Å; E667-N671 VanDerWaalsContact O-N 3.09Å; E667-N671 PolarHBondContact O-ND2 2.9Å; I668-N671 PolarHBondContact O-N 2.98Å; N671-S674 PolarHBondContact O-N 3.04Å; N671-Y675 WeakPolarHBondContact O-CB 3.06Å; N671-Y675 PolarHBondContact O-N 3.44Å
672A95Very high94.6Very high2 Ų240.9 Ų40.92%0.01723%0.233CC..Hα-helixtrans-65.1-40.217600000112.7Q641 I647 I668 S669 Q670 K676Q641-A672 VanDerWaalsContact OE1-CB 3.28Å; I647-A672 HydrophobicContact CD1-CB 3.83Å; I647-A672 HydrophobicContact CG1-CB 4.46Å; I647-A672 HydrophobicContact CG2-CB 4.09Å; I668-A672 VanDerWaalsContact O-CB 3.28Å; I668-A672 WeakPolarHBondContact O-CB 3.34Å; I668-A672 PolarHBondContact O-N 3.46Å; S669-A672 PolarHBondContact O-N 3.48Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.9Å; A672-K676 VanDerWaalsContact O-CG 3.26Å; A672-K676 WeakPolarHBondContact O-CG 3.48Å; A672-K676 PolarHBondContact O-N 3.48Å
673A95.5Very high94.6Very high59 Ų5939 Ų3949%0.48822%0.222SC..Hα-helixtrans-63.7-45.417600000111.5S669 Q670 K676 A677S669-A673 WeakPolarHBondContact O-CB 3.33Å; S669-A673 PolarHBondContact O-N 2.87Å; Q670-A673 PolarHBondContact O-N 3.41Å; A673-K676 PolarHBondContact O-N 2.6Å; A673-A677 PolarHBondContact O-N 2.91Å
674S96.6Very high94.7Very high25 Ų2540.2 Ų40.218%0.17523%0.228CC..Hα-helixtrans-65.8-41.9178.8-49.70000111.5Q670 N671 K676 A677 L678Q670-S674 PolarHBondContact O-N 3.25Å; Q670-S674 VanDerWaalsContact O-N 3.07Å; Q670-S674 PolarHBondContact O-OG 2.92Å; N671-S674 PolarHBondContact O-N 3.04Å; S674-K676 PolarHBondContact O-N 3.47Å; S674-A677 WeakPolarHBondContact O-CB 3.45Å; S674-A677 PolarHBondContact O-N 3.4Å; S674-L678 PolarHBondContact O-N 2.95Å
675Y96.2Very high94.9Very high8 Ų840 Ų403%0.03123%0.225CC..Hα-helixtrans-57-45.7171.6175.7-89.6000112.2D646 I647 N671 A677 L678 R679 L815 L818D646-Y675 HydrophobicContact CB-CD2 4.15Å; D646-Y675 HydrophobicContact CB-CE2 3.52Å; I647-Y675 HydrophobicContact CD1-CD1 4.14Å; I647-Y675 HydrophobicContact CD1-CG 4.45Å; I647-Y675 HydrophobicContact CG1-CD1 4Å; I647-Y675 HydrophobicContact CG1-CD2 4.33Å; I647-Y675 HydrophobicContact CG1-CG 3.84Å; N671-Y675 WeakPolarHBondContact O-CB 3.06Å; N671-Y675 PolarHBondContact O-N 3.44Å; Y675-A677 VanDerWaalsContact C-N 3.33Å; Y675-A677 PolarHBondContact O-N 3.13Å; Y675-L678 PolarHBondContact O-N 3.43Å; Y675-R679 WeakPolarHBondContact O-CB 3.33Å; Y675-R679 PolarHBondContact O-N 2.98Å; Y675-R679 PolarHBondContact OH-NH1 2.9Å; Y675-L815 HydrophobicContact CD2-CD1 4.49Å; Y675-L818 HydrophobicContact CD2-CD2 4.28Å; Y675-L818 HydrophobicContact CE2-CB 4.04Å; Y675-L818 HydrophobicContact CE2-CD2 3.68Å; Y675-L818 HydrophobicContact CE2-CG 4.37Å
676K94.8Very high95.2Very high88 Ų8835.4 Ų35.438%0.38319%0.193SC..Hα-helixtrans-63.8-38.1177.6-73.3167.6-172.4170.70112.1A672 A673 S674 R679 N680A672-K676 VanDerWaalsContact O-CG 3.26Å; A672-K676 WeakPolarHBondContact O-CG 3.48Å; A672-K676 PolarHBondContact O-N 3.48Å; A673-K676 PolarHBondContact O-N 2.6Å; S674-K676 PolarHBondContact O-N 3.47Å; K676-R679 PolarHBondContact O-N 3.41Å; K676-N680 WeakPolarHBondContact O-CB 3.15Å; K676-N680 PolarHBondContact O-N 3.08Å
677A95.4Very high95.4Very high51 Ų5128.5 Ų28.542%0.42116%0.163SC..Hα-helixtrans-62.8-50.1176.400000111.1A673 S674 Y675 R679 N680 S681A673-A677 PolarHBondContact O-N 2.91Å; S674-A677 WeakPolarHBondContact O-CB 3.45Å; S674-A677 PolarHBondContact O-N 3.4Å; Y675-A677 VanDerWaalsContact C-N 3.33Å; Y675-A677 PolarHBondContact O-N 3.13Å; A677-R679 PolarHBondContact O-N 2.82Å; A677-N680 PolarHBondContact O-N 3.12Å; A677-S681 PolarHBondContact O-N 2.49Å; A677-S681 PolarHBondContact O-OG 2.93Å
678L96.8Very high95.4Very high5 Ų527.1 Ų27.13%0.02616%0.157CC..Hα-helixtrans-54.9-51.5173.3170.567.3000111.9S674 Y675 N680 S681 L682 I764 L768 L811 L815 L818 M819S674-L678 PolarHBondContact O-N 2.95Å; Y675-L678 PolarHBondContact O-N 3.43Å; L678-N680 VanDerWaalsContact C-N 3.3Å; L678-N680 PolarHBondContact O-N 3.22Å; L678-S681 PolarHBondContact O-N 3.46Å; L678-S681 VanDerWaalsContact O-N 3.13Å; L678-L682 HydrophobicContact CD1-CD1 3.79Å; L678-L682 HydrophobicContact CD1-CG 4.2Å; L678-L682 HydrophobicContact CG-CD1 3.9Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 2.97Å; L678-I764 HydrophobicContact CD1-CG2 4.43Å; L678-L768 HydrophobicContact CB-CD1 3.86Å; L678-L768 HydrophobicContact CD1-CD1 3.72Å; L678-L768 HydrophobicContact CG-CD1 4.41Å; L678-L811 HydrophobicContact CD1-CD1 3.84Å; L678-L811 HydrophobicContact CD2-CD1 3.59Å; L678-L811 HydrophobicContact CG-CD1 4.38Å; L678-L815 HydrophobicContact CD2-CD1 3.43Å; L678-L815 VanDerWaalsContact CD2-CD1 3.43Å; L678-L818 HydrophobicContact CD2-CD2 3.82Å; L678-L818 HydrophobicContact CG-CD2 4.14Å; L678-M819 HydrophobicContact CD2-CE 4.19Å
679R95.5Very high95.5Very high1 Ų127 Ų270%0.00416%0.156CC..Hα-helixtrans-58.7-41.6-179.9-174.5172.6177.595.78.7111.9F34 T35 I36 Y675 K676 A677 L682 R683 L818 E821F34-R679 HydrophobicContact CD2-CG 4.38Å; F34-R679 HydrophobicContact CE2-CG 3.87Å; T35-R679 PolarHBondContact O-NE 3.24Å; T35-R679 PolarHBondContact O-NH2 3.14Å; I36-R679 VanDerWaalsContact O-CD 3.27Å; I36-R679 WeakPolarHBondContact O-CD 3.47Å; Y675-R679 WeakPolarHBondContact O-CB 3.33Å; Y675-R679 PolarHBondContact O-N 2.98Å; Y675-R679 PolarHBondContact OH-NH1 2.9Å; K676-R679 PolarHBondContact O-N 3.41Å; A677-R679 PolarHBondContact O-N 2.82Å; R679-L682 PolarHBondContact O-N 3.17Å; R679-R683 VanDerWaalsContact O-CB 3.28Å; R679-R683 WeakPolarHBondContact O-CB 3.27Å; R679-R683 PolarHBondContact O-N 3.15Å; R679-L818 HydrophobicContact CB-CD1 4.28Å; R679-L818 HydrophobicContact CB-CD2 4.46Å; R679-L818 HydrophobicContact CG-CD1 3.91Å; R679-L818 VanDerWaalsContact NH1-CD1 3.31Å; R679-E821 IonicContact CZ-OE1 3.46Å; R679-E821 IonicContact CZ-OE2 2.9Å; R679-E821 IonicContact NH1-OE1 3.26Å; R679-E821 IonicContact NH1-OE2 3.43Å; R679-E821 PolarHBondContact NH1-OE2 2.93Å; R679-E821 IonicContact NH2-OE1 2.75Å; R679-E821 PolarHBondContact NH2-OE1 2.79Å; R679-E821 IonicContact NH2-OE2 2.78Å; R679-E821 PolarHBondContact NH2-OE2 2.8Å
680N94.9Very high95.4Very high56 Ų5625 Ų2530%0.29914%0.137SC..Hα-helixtrans-68.5-36177.5-175.358.3000112.7I36 K676 A677 L678 R683 F684I36-N680 WeakPolarHBondContact CD1-OD1 3.4Å; I36-N680 HydrophobicContact CG1-CB 4.38Å; I36-N680 HydrophobicContact CG2-CB 4.4Å; K676-N680 WeakPolarHBondContact O-CB 3.15Å; K676-N680 PolarHBondContact O-N 3.08Å; A677-N680 PolarHBondContact O-N 3.12Å; L678-N680 VanDerWaalsContact C-N 3.3Å; L678-N680 PolarHBondContact O-N 3.22Å; N680-R683 PolarHBondContact O-N 2.78Å; N680-R683 PolarHBondContact OD1-NE 3.21Å; N680-R683 PolarHBondContact OD1-NH2 3.14Å; N680-F684 WeakPolarHBondContact O-CB 3.36Å; N680-F684 PolarHBondContact O-N 3.22Å
681S95.9Very high95.2Very high14 Ų1421.7 Ų21.710%0.09812%0.123CC..Hα-helixtrans-64.8-45.5174.5-64.40000111.8A677 L678 R683 F684 M685A677-S681 PolarHBondContact O-N 2.49Å; A677-S681 PolarHBondContact O-OG 2.93Å; L678-S681 PolarHBondContact O-N 3.46Å; L678-S681 VanDerWaalsContact O-N 3.13Å; S681-R683 VanDerWaalsContact C-N 3.33Å; S681-R683 PolarHBondContact O-N 3.07Å; S681-F684 PolarHBondContact O-N 3.26Å; S681-M685 PolarHBondContact O-N 2.82Å
682L96.3Very high94.9Very high0 Ų021.6 Ų21.60%012%0.123CC..Hα-helixtrans-61.4-42.5174.8-69.1164.2000111.4F34 L678 R679 F684 M685 T686 V804 L807 L818 M819 V822F34-L682 HydrophobicContact CZ-CB 4.14Å; L678-L682 HydrophobicContact CD1-CD1 3.79Å; L678-L682 HydrophobicContact CD1-CG 4.2Å; L678-L682 HydrophobicContact CG-CD1 3.9Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 2.97Å; R679-L682 PolarHBondContact O-N 3.17Å; L682-F684 VanDerWaalsContact C-N 3.32Å; L682-F684 PolarHBondContact O-N 2.99Å; L682-M685 HydrophobicContact CD2-CE 4.09Å; L682-M685 PolarHBondContact O-N 2.71Å; L682-T686 WeakPolarHBondContact O-CB 3.16Å; L682-T686 WeakPolarHBondContact O-CG2 3.34Å; L682-T686 PolarHBondContact O-N 3.3Å; L682-T686 PolarHBondContact O-OG1 3.18Å; L682-V804 HydrophobicContact CD2-CG2 4.27Å; L682-L807 HydrophobicContact CD2-CB 4.29Å; L682-L807 HydrophobicContact CD2-CD1 3.94Å; L682-L818 HydrophobicContact CD1-CD2 4.16Å; L682-L818 HydrophobicContact CD1-CG 4.38Å; L682-M819 HydrophobicContact CD1-CE 3.92Å; L682-V822 HydrophobicContact CB-CG2 4.22Å; L682-V822 HydrophobicContact CD1-CG2 4.1Å; L682-V822 HydrophobicContact CD2-CG1 4.46Å
683R94.8Very high94.6Very high42 Ų4222.2 Ų22.216%0.15813%0.127CC..Hα-helixtrans-60.3-41.8174.9-171.1-174.472.393.92.9111.7F32 F34 R679 N680 S681 T686 G687F32-R683 HydrophobicContact CB-CG 4.2Å; F32-R683 HydrophobicContact CD1-CG 3.77Å; F32-R683 WeakPolarHBondContact CD1-O 3.4Å; F32-R683 HydrophobicContact CE1-CG 4.48Å; F32-R683 HydrophobicContact CG-CG 4.2Å; F34-R683 HydrophobicContact CD2-CB 4.3Å; F34-R683 HydrophobicContact CD2-CG 4.36Å; F34-R683 HydrophobicContact CE1-CB 4.2Å; F34-R683 HydrophobicContact CE1-CG 4.46Å; F34-R683 HydrophobicContact CE2-CB 3.66Å; F34-R683 HydrophobicContact CE2-CG 4.2Å; F34-R683 HydrophobicContact CZ-CB 3.63Å; F34-R683 HydrophobicContact CZ-CG 4.29Å; F34-R683 VanDerWaalsContact CZ-N 3.31Å; F34-R683 WeakPolarHBondContact O-CD 3.45Å; F34-R683 WeakPolarHBondContact O-CG 3.41Å; R679-R683 VanDerWaalsContact O-CB 3.28Å; R679-R683 WeakPolarHBondContact O-CB 3.27Å; R679-R683 PolarHBondContact O-N 3.15Å; N680-R683 PolarHBondContact O-N 2.78Å; N680-R683 PolarHBondContact OD1-NE 3.21Å; N680-R683 PolarHBondContact OD1-NH2 3.14Å; S681-R683 VanDerWaalsContact C-N 3.33Å; S681-R683 PolarHBondContact O-N 3.07Å; R683-T686 PolarHBondContact O-OG1 3.45Å; R683-G687 PolarHBondContact O-N 2.84Å
684F95.2Very high94.2Very high28 Ų2819.4 Ų19.412%0.12310%0.104CC..Hα-helixtrans-64.8-50.8178.1-175.6-90.3000111.6P30 N680 S681 L682 G687 N688 I776 K780 Y784 F800P30-F684 HydrophobicContact CG-CE2 4.42Å; N680-F684 WeakPolarHBondContact O-CB 3.36Å; N680-F684 PolarHBondContact O-N 3.22Å; S681-F684 PolarHBondContact O-N 3.26Å; L682-F684 VanDerWaalsContact C-N 3.32Å; L682-F684 PolarHBondContact O-N 2.99Å; F684-G687 PolarHBondContact O-N 2.78Å; F684-N688 PolarHBondContact O-N 2.93Å; F684-N688 PolarHBondContact O-ND2 3.21Å; F684-I776 HydrophobicContact CD1-CD1 3.86Å; F684-I776 HydrophobicContact CD1-CG1 4.36Å; F684-I776 HydrophobicContact CD1-CG2 4.2Å; F684-I776 HydrophobicContact CE1-CB 4.45Å; F684-I776 HydrophobicContact CE1-CD1 4.13Å; F684-I776 HydrophobicContact CE1-CG1 4.14Å; F684-I776 HydrophobicContact CE1-CG2 3.52Å; F684-I776 HydrophobicContact CZ-CG2 3.75Å; F684-K780 HydrophobicContact CZ-CG 4.49Å; F684-Y784 VanDerWaalsContact CE2-OH 3.22Å; F684-Y784 WeakPolarHBondContact CE2-OH 3.42Å; F684-Y784 VanDerWaalsContact CZ-OH 3.28Å; F684-Y784 WeakPolarHBondContact CZ-OH 3.5Å; F684-F800 HydrophobicContact CD1-CE2 4.47Å; F684-F800 HydrophobicContact CD1-CZ 4.44Å; F684-F800 HydrophobicContact CE1-CE2 4.11Å; F684-F800 AromaticContact CE1-CZ 4Å; F684-F800 HydrophobicContact CE1-CZ 4Å
685M96.4Very high93.5Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-61.5-55-179.3-70.2-174.9-69.500111.2S681 L682 G687 N688 L689 L771 F800 T803 V804 L807S681-M685 PolarHBondContact O-N 2.82Å; L682-M685 HydrophobicContact CD2-CE 4.09Å; L682-M685 PolarHBondContact O-N 2.71Å; M685-G687 VanDerWaalsContact C-N 3.27Å; M685-G687 PolarHBondContact O-N 3.1Å; M685-N688 PolarHBondContact O-N 3.07Å; M685-L689 WeakPolarHBondContact O-CG 3.12Å; M685-L689 PolarHBondContact O-N 3.03Å; M685-L771 HydrophobicContact CE-CD2 4.4Å; M685-L771 HydrophobicContact SD-CD2 3.92Å; M685-F800 HydrophobicContact CB-CB 4.16Å; M685-F800 HydrophobicContact CB-CD2 4.33Å; M685-F800 HydrophobicContact CB-CG 4.15Å; M685-F800 HydrophobicContact CG-CB 4.31Å; M685-F800 HydrophobicContact CG-CD1 3.92Å; M685-F800 HydrophobicContact CG-CD2 4.3Å; M685-F800 HydrophobicContact CG-CE1 4.26Å; M685-F800 HydrophobicContact CG-CG 3.94Å; M685-F800 HydrophobicContact SD-CD1 4.21Å; M685-T803 HydrophobicContact CE-CG2 3.95Å; M685-T803 HydrophobicContact SD-CG2 3.61Å; M685-V804 HydrophobicContact CB-CG2 3.73Å; M685-V804 HydrophobicContact CE-CG2 3.84Å; M685-V804 HydrophobicContact SD-CG2 4.22Å; M685-L807 HydrophobicContact CE-CD1 3.97Å
686T95.3Very high92.9Very high1 Ų122.2 Ų22.21%0.00612%0.121CC..Hα-helixtrans-60.4-35.6179.254.50000112.6F34 L682 R683 N688 L689 V804 V822 V825 T826F34-T686 WeakPolarHBondContact CE1-OG1 3.44Å; L682-T686 WeakPolarHBondContact O-CB 3.16Å; L682-T686 WeakPolarHBondContact O-CG2 3.34Å; L682-T686 PolarHBondContact O-N 3.3Å; L682-T686 PolarHBondContact O-OG1 3.18Å; R683-T686 PolarHBondContact O-OG1 3.45Å; T686-N688 PolarHBondContact O-N 3.46Å; T686-L689 WeakPolarHBondContact O-CB 3.37Å; T686-L689 PolarHBondContact O-N 2.97Å; T686-V804 HydrophobicContact CG2-CG1 4.19Å; T686-V804 HydrophobicContact CG2-CG2 4.1Å; T686-V822 HydrophobicContact CG2-CG1 4.25Å; T686-V825 HydrophobicContact CG2-CG1 4.31Å; T686-T826 HydrophobicContact CG2-CG2 4.22Å
687G95Very high92.4Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-64.7-21.8175.500000114.1P30 R31 R683 F684 M685 Y690P30-G687 CarbonylContact C-O 3.55Å; P30-G687 VanDerWaalsContact CA-O 3.31Å; P30-G687 WeakPolarHBondContact CA-O 3.44Å; R31-G687 PolarHBondContact N-O 3.36Å; R31-G687 VanDerWaalsContact O-CA 3.25Å; R31-G687 WeakPolarHBondContact O-CA 3.3Å; R683-G687 PolarHBondContact O-N 2.84Å; F684-G687 PolarHBondContact O-N 2.78Å; M685-G687 VanDerWaalsContact C-N 3.27Å; M685-G687 PolarHBondContact O-N 3.1Å; G687-Y690 WeakPolarHBondContact O-CD1 3.47Å
688N95.3Very high91.8Very high1 Ų118 Ų181%0.0059%0.094CC..THydrogen-bonded Turntrans-91.81.7173.1-74.1-87.6000113.1F684 M685 T686 Q797 F800F684-N688 PolarHBondContact O-N 2.93Å; F684-N688 PolarHBondContact O-ND2 3.21Å; M685-N688 PolarHBondContact O-N 3.07Å; T686-N688 PolarHBondContact O-N 3.46Å; N688-Q797 PolarHBondContact O-NE2 3.17Å; N688-F800 HydrophobicContact CB-CD2 4.01Å; N688-F800 HydrophobicContact CB-CE2 3.98Å
689L94.2Very high91Very high5 Ų524.1 Ų24.13%0.02613%0.127CC..  trans-99.58.4178.8-60.8178000113.1M685 T686 D691 F692 Q797 F800 W801 L829M685-L689 WeakPolarHBondContact O-CG 3.12Å; M685-L689 PolarHBondContact O-N 3.03Å; T686-L689 WeakPolarHBondContact O-CB 3.37Å; T686-L689 PolarHBondContact O-N 2.97Å; L689-D691 PolarHBondContact O-N 3.02Å; L689-D691 VanDerWaalsContact O-N 3.08Å; L689-F692 HydrophobicContact CB-CB 4.26Å; L689-F692 HydrophobicContact CD2-CB 4.05Å; L689-F692 HydrophobicContact CD2-CD1 4.07Å; L689-F692 HydrophobicContact CD2-CG 4.07Å; L689-F692 PolarHBondContact O-N 3.25Å; L689-Q797 HydrophobicContact CD2-CB 3.86Å; L689-Q797 HydrophobicContact CD2-CG 4.32Å; L689-Q797 WeakPolarHBondContact CD2-O 3.35Å; L689-F800 HydrophobicContact CD2-CB 4.1Å; L689-W801 HydrophobicContact CD1-CB 4.03Å; L689-W801 HydrophobicContact CD1-CG 4.5Å; L689-W801 HydrophobicContact CD2-CB 4.25Å; L689-L829 HydrophobicContact CB-CD1 4.02Å
690Y91.9Very high90Very high30 Ų3026.7 Ų26.712%0.11814%0.137CC..THydrogen-bonded Turntrans-61.3-23.6-171.872.8-96.5000114.7N29 R31 G687 Q833N29-Y690 WeakPolarHBondContact O-CE1 3.24Å; R31-Y690 HydrophobicContact CB-CD1 4.05Å; R31-Y690 HydrophobicContact CB-CG 4.11Å; R31-Y690 HydrophobicContact CG-CD1 3.7Å; R31-Y690 HydrophobicContact CG-CD2 4.3Å; R31-Y690 HydrophobicContact CG-CE1 4.1Å; R31-Y690 HydrophobicContact CG-CG 3.82Å; G687-Y690 WeakPolarHBondContact O-CD1 3.47Å; Y690-Q833 PolarHBondContact O-NE2 3.48Å
691D91.4Very high88.6Confident34 Ų3430.2 Ų30.218%0.18216%0.156CC..THydrogen-bonded Turntrans-120.718.2178.865.8-20.6000112L689 R793 R794 Q797L689-D691 PolarHBondContact O-N 3.02Å; L689-D691 VanDerWaalsContact O-N 3.08Å; D691-R793 VanDerWaalsContact CG-NH2 3.29Å; D691-R793 IonicContact OD1-CZ 2.78Å; D691-R793 IonicContact OD1-NH1 3.86Å; D691-R793 PolarHBondContact OD1-NH1 3.23Å; D691-R793 IonicContact OD1-NH2 3.78Å; D691-R793 PolarHBondContact OD1-NH2 3.13Å; D691-R793 IonicContact OD2-CZ 2.75Å; D691-R793 VanDerWaalsContact OD2-CZ 3.24Å; D691-R793 IonicContact OD2-NH1 3.47Å; D691-R793 PolarHBondContact OD2-NH1 3.06Å; D691-R793 IonicContact OD2-NH2 3.15Å; D691-R793 PolarHBondContact OD2-NH2 3.12Å; D691-R794 PolarHBondContact O-NH1 2.93Å; D691-R794 IonicContact OD1-NH1 3.91Å; D691-R794 IonicContact OD2-NH1 3.95Å; D691-Q797 PolarHBondContact OD1-NE2 3.3Å
692F91.1Very high87Confident4 Ų438.4 Ų38.42%0.01819%0.192CC..  trans-99.2125.3179.5175.6-99.3000110.7L689 P694 Q697 M715 Q797 W801 Q833L689-F692 HydrophobicContact CB-CB 4.26Å; L689-F692 HydrophobicContact CD2-CB 4.05Å; L689-F692 HydrophobicContact CD2-CD1 4.07Å; L689-F692 HydrophobicContact CD2-CG 4.07Å; L689-F692 PolarHBondContact O-N 3.25Å; F692-P694 HydrophobicContact CE1-CB 4.13Å; F692-P694 HydrophobicContact CZ-CB 4.46Å; F692-Q697 HydrophobicContact CE2-CB 4.18Å; F692-Q697 HydrophobicContact CE2-CG 4.16Å; F692-Q697 HydrophobicContact CZ-CB 4.28Å; F692-Q697 HydrophobicContact CZ-CG 4.41Å; F692-M715 HydrophobicContact CZ-CE 3.81Å; F692-M715 HydrophobicContact CZ-SD 4.42Å; F692-Q797 HydrophobicContact CB-CB 4.17Å; F692-Q797 HydrophobicContact CD2-CB 3.42Å; F692-Q797 VanDerWaalsContact CD2-CB 3.42Å; F692-Q797 HydrophobicContact CD2-CG 4.4Å; F692-Q797 HydrophobicContact CE2-CB 4.01Å; F692-Q797 HydrophobicContact CG-CB 3.88Å; F692-W801 HydrophobicContact CD1-CB 4.37Å; F692-W801 HydrophobicContact CD1-CG 4.47Å; F692-W801 HydrophobicContact CE1-CB 3.9Å; F692-W801 HydrophobicContact CE1-CD2 4.42Å; F692-W801 AromaticContact CE1-CG 3.91Å; F692-W801 HydrophobicContact CE1-CG 3.91Å; F692-Q833 PolarHBondContact O-OE1 2.79Å
693C88Confident85.2Confident15 Ų1548.3 Ų48.310%0.10124%0.235CC..  trans-120.4115175.2-179.80000111V695 T696 Q697C693-V695 VanDerWaalsContact C-N 3.28Å; C693-V695 PolarHBondContact O-N 2.98Å; C693-T696 HydrophobicContact CB-CG2 4.06Å; C693-T696 WeakPolarHBondContact CB-OG1 3.37Å; C693-T696 PolarHBondContact O-N 3.38Å; C693-T696 PolarHBondContact O-OG1 2.89Å; C693-Q697 PolarHBondContact O-N 3.12Å; C693-Q697 VanDerWaalsContact O-N 3.1Å
694P86.6Confident83.7Confident0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-64.2-30.4-17926.3-34.7000113F692 Q697 L698 L711 M715 W801 L830F692-P694 HydrophobicContact CE1-CB 4.13Å; F692-P694 HydrophobicContact CZ-CB 4.46Å; P694-Q697 PolarHBondContact O-N 3.27Å; P694-L698 WeakPolarHBondContact O-CB 3.4Å; P694-L698 WeakPolarHBondContact O-CG 3.33Å; P694-L698 PolarHBondContact O-N 3.39Å; P694-L711 HydrophobicContact CG-CD1 4.14Å; P694-M715 HydrophobicContact CB-SD 3.45Å; P694-M715 WeakPolarHBondContact CB-SD 3.38Å; P694-W801 HydrophobicContact CB-CZ2 4.39Å; P694-W801 HydrophobicContact CG-CZ2 4.47Å; P694-L830 HydrophobicContact CG-CD2 3.53Å
695V83Confident82.2Confident6 Ų655.3 Ų55.34%0.03628%0.28CS..Hα-helixtrans-63.5-49.3176.8177.20000110.3C693 Q697 L698 N699 Y700 Y706 L711 L834C693-V695 VanDerWaalsContact C-N 3.28Å; C693-V695 PolarHBondContact O-N 2.98Å; V695-Q697 VanDerWaalsContact C-N 3.26Å; V695-Q697 PolarHBondContact O-N 3.08Å; V695-L698 PolarHBondContact O-N 3.48Å; V695-N699 PolarHBondContact O-N 2.68Å; V695-Y700 WeakPolarHBondContact O-CB 3.29Å; V695-Y700 PolarHBondContact O-N 2.98Å; V695-Y700 VanDerWaalsContact O-N 3.08Å; V695-Y706 HydrophobicContact CG1-CD2 4.46Å; V695-Y706 HydrophobicContact CG1-CE2 4Å; V695-Y706 HydrophobicContact CG2-CD2 4.11Å; V695-Y706 HydrophobicContact CG2-CE2 4.45Å; V695-L711 HydrophobicContact CG2-CD1 4.04Å; V695-L711 HydrophobicContact CG2-CD2 3.93Å; V695-L834 HydrophobicContact CB-CD2 3.97Å; V695-L834 HydrophobicContact CG1-CD2 4.41Å; V695-L834 HydrophobicContact CG2-CD1 3.7Å; V695-L834 HydrophobicContact CG2-CD2 3.66Å; V695-L834 HydrophobicContact CG2-CG 4.35Å
696T83.5Confident81Confident86 Ų8656.9 Ų56.953%0.52829%0.286SS..Hα-helixtrans-62.2-37.817660.30000111.6C693 L698 N699C693-T696 HydrophobicContact CB-CG2 4.06Å; C693-T696 WeakPolarHBondContact CB-OG1 3.37Å; C693-T696 PolarHBondContact O-N 3.38Å; C693-T696 PolarHBondContact O-OG1 2.89Å; T696-L698 VanDerWaalsContact C-N 3.3Å; T696-L698 PolarHBondContact O-N 2.94Å; T696-N699 PolarHBondContact O-N 3.36Å; T696-N699 VanDerWaalsContact O-N 3.11Å
697Q84.5Confident80.2Confident32 Ų3258.8 Ų58.815%0.1530%0.299CS..Hα-helixtrans-67.8-31.2-179.9-165.863.82000112.9F692 C693 P694 V695 N699 M715 L727F692-Q697 HydrophobicContact CE2-CB 4.18Å; F692-Q697 HydrophobicContact CE2-CG 4.16Å; F692-Q697 HydrophobicContact CZ-CB 4.28Å; F692-Q697 HydrophobicContact CZ-CG 4.41Å; C693-Q697 PolarHBondContact O-N 3.12Å; C693-Q697 VanDerWaalsContact O-N 3.1Å; P694-Q697 PolarHBondContact O-N 3.27Å; V695-Q697 VanDerWaalsContact C-N 3.26Å; V695-Q697 PolarHBondContact O-N 3.08Å; Q697-N699 VanDerWaalsContact C-N 3.28Å; Q697-M715 HydrophobicContact CB-CE 4.28Å; Q697-M715 HydrophobicContact CG-CE 4.04Å; Q697-L727 HydrophobicContact CG-CD1 4.38Å; Q697-L727 HydrophobicContact CG-CD2 4.13Å
698L81.9Confident79.7Confident18 Ų1859 Ų599%0.09430%0.301CS..THydrogen-bonded Turntrans-83.71.8175.3-73.9175.1000113.4P694 V695 T696 Y700 L711 D714 M715 N718P694-L698 WeakPolarHBondContact O-CB 3.4Å; P694-L698 WeakPolarHBondContact O-CG 3.33Å; P694-L698 PolarHBondContact O-N 3.39Å; V695-L698 PolarHBondContact O-N 3.48Å; T696-L698 VanDerWaalsContact C-N 3.3Å; T696-L698 PolarHBondContact O-N 2.94Å; L698-Y700 HydrophobicContact CB-CD1 3.86Å; L698-Y700 HydrophobicContact CB-CD2 4.33Å; L698-Y700 HydrophobicContact CB-CE1 4.18Å; L698-Y700 HydrophobicContact CB-CG 3.99Å; L698-Y700 HydrophobicContact CD1-CD2 4.26Å; L698-Y700 HydrophobicContact CD1-CE2 3.97Å; L698-Y700 PolarHBondContact O-N 3.45Å; L698-L711 HydrophobicContact CD1-CD2 4.01Å; L698-D714 HydrophobicContact CD1-CB 4.11Å; L698-M715 HydrophobicContact CD1-CG 3.69Å; L698-M715 HydrophobicContact CD2-CG 3.85Å; L698-M715 HydrophobicContact CG-CG 3.76Å; L698-N718 HydrophobicContact CD2-CB 4.3Å; L698-N718 WeakPolarHBondContact CD2-ND2 3.45Å
699N80.3Confident79.3Confident134 Ų13459.1 Ų59.172%0.71730%0.301SS*.THydrogen-bonded Turntrans51.338.8-170.8-66-39.4000112.7V695 T696 Q697V695-N699 PolarHBondContact O-N 2.68Å; T696-N699 PolarHBondContact O-N 3.36Å; T696-N699 VanDerWaalsContact O-N 3.11Å; Q697-N699 VanDerWaalsContact C-N 3.28Å
700Y74.4Confident78.9Confident55 Ų5561.7 Ų61.722%0.21631%0.312CS..  trans-76.5133.1176.6-908.8000110.9V695 L698 E702 Y706 L711 D714V695-Y700 WeakPolarHBondContact O-CB 3.29Å; V695-Y700 PolarHBondContact O-N 2.98Å; V695-Y700 VanDerWaalsContact O-N 3.08Å; L698-Y700 HydrophobicContact CB-CD1 3.86Å; L698-Y700 HydrophobicContact CB-CD2 4.33Å; L698-Y700 HydrophobicContact CB-CE1 4.18Å; L698-Y700 HydrophobicContact CB-CG 3.99Å; L698-Y700 HydrophobicContact CD1-CD2 4.26Å; L698-Y700 HydrophobicContact CD1-CE2 3.97Å; L698-Y700 PolarHBondContact O-N 3.45Å; Y700-E702 PolarHBondContact O-N 2.97Å; Y700-Y706 WeakPolarHBondContact CB-OH 3.47Å; Y700-Y706 AromaticContact CD2-CD1 3.64Å; Y700-Y706 HydrophobicContact CD2-CD1 3.64Å; Y700-Y706 HydrophobicContact CD2-CD2 4.07Å; Y700-Y706 AromaticContact CD2-CE1 3.13Å; Y700-Y706 HydrophobicContact CD2-CE1 3.13Å; Y700-Y706 AromaticContact CD2-CE2 3.62Å; Y700-Y706 HydrophobicContact CD2-CE2 3.62Å; Y700-Y706 HydrophobicContact CD2-CG 4.07Å; Y700-Y706 AromaticContact CD2-CZ 3.09Å; Y700-Y706 WeakPolarHBondContact CD2-OH 3.48Å; Y700-Y706 AromaticContact CE2-CD1 3.45Å; Y700-Y706 HydrophobicContact CE2-CD1 3.45Å; Y700-Y706 VanDerWaalsContact CE2-CD1 3.45Å; Y700-Y706 AromaticContact CE2-CE1 3.18Å; Y700-Y706 HydrophobicContact CE2-CE1 3.18Å; Y700-Y706 HydrophobicContact CE2-CE2 4.44Å; Y700-Y706 HydrophobicContact CE2-CG 4.19Å; Y700-Y706 AromaticContact CE2-CZ 3.72Å; Y700-Y706 AromaticContact CG-CE1 3.87Å; Y700-Y706 HydrophobicContact CG-CE1 3.87Å; Y700-Y706 HydrophobicContact CG-CE2 4.18Å; Y700-Y706 AromaticContact CG-CZ 3.53Å; Y700-Y706 VanDerWaalsContact CG-OH 3.23Å; Y700-Y706 AromaticContact CZ-CE1 3.98Å; Y700-L711 HydrophobicContact CD2-CD2 3.8Å; Y700-L711 HydrophobicContact CE2-CD2 3.72Å; Y700-D714 PolarHBondContact OH-OD2 2.87Å
701N65.4Low78.7Confident130 Ų13060.2 Ų60.270%0.69531%0.307SS*.  trans-67.8132.1171-73.1-18.2000109.2K703 T704 Y706N701-K703 PolarHBondContact O-N 2.86Å; N701-T704 PolarHBondContact O-OG1 3.44Å; N701-Y706 PolarHBondContact O-OH 3.37Å
702E61.6Low78.6Confident186 Ų18658.6 Ų58.687%0.86930%0.298SS*.THydrogen-bonded Turntrans-56.9-10.4-176.4-65.4-178.2164.600115.1Y700 T704Y700-E702 PolarHBondContact O-N 2.97Å; E702-T704 PolarHBondContact O-N 2.73Å
703K59.4Low78.6Confident207 Ų20758.9 Ų58.990%0.930%0.3SS*.THydrogen-bonded Turntrans-83.72.4-172.2-65.5-171.9178.5-178.30115.7N701N701-K703 PolarHBondContact O-N 2.86Å
704T62.5Low78.6Confident76 Ų7658.9 Ų58.947%0.46630%0.299SS..SBendtrans-113.8129-174.57.20000111.6N701 E702 Y706N701-T704 PolarHBondContact O-OG1 3.44Å; E702-T704 PolarHBondContact O-N 2.73Å; T704-Y706 VanDerWaalsContact CB-CZ 3.46Å; T704-Y706 WeakPolarHBondContact O-CD2 3.2Å; T704-Y706 WeakPolarHBondContact O-CE2 3.33Å; T704-Y706 PolarHBondContact O-N 2.91Å; T704-Y706 PolarHBondContact OG1-OH 3.31Å
705N65.2Low78.7Confident141 Ų14158.9 Ų58.975%0.75430%0.299SS*.  trans-70110.6172.2-82.9-22.1000109.5
706Y70.9Confident79Confident34 Ų3458.6 Ų58.613%0.13330%0.297CS..  trans-100.3141.4178.5-54.7-69.9000111V695 Y700 N701 T704 L711 F837V695-Y706 HydrophobicContact CG1-CD2 4.46Å; V695-Y706 HydrophobicContact CG1-CE2 4Å; V695-Y706 HydrophobicContact CG2-CD2 4.11Å; V695-Y706 HydrophobicContact CG2-CE2 4.45Å; Y700-Y706 WeakPolarHBondContact CB-OH 3.47Å; Y700-Y706 AromaticContact CD2-CD1 3.64Å; Y700-Y706 HydrophobicContact CD2-CD1 3.64Å; Y700-Y706 HydrophobicContact CD2-CD2 4.07Å; Y700-Y706 AromaticContact CD2-CE1 3.13Å; Y700-Y706 HydrophobicContact CD2-CE1 3.13Å; Y700-Y706 AromaticContact CD2-CE2 3.62Å; Y700-Y706 HydrophobicContact CD2-CE2 3.62Å; Y700-Y706 HydrophobicContact CD2-CG 4.07Å; Y700-Y706 AromaticContact CD2-CZ 3.09Å; Y700-Y706 WeakPolarHBondContact CD2-OH 3.48Å; Y700-Y706 AromaticContact CE2-CD1 3.45Å; Y700-Y706 HydrophobicContact CE2-CD1 3.45Å; Y700-Y706 VanDerWaalsContact CE2-CD1 3.45Å; Y700-Y706 AromaticContact CE2-CE1 3.18Å; Y700-Y706 HydrophobicContact CE2-CE1 3.18Å; Y700-Y706 HydrophobicContact CE2-CE2 4.44Å; Y700-Y706 HydrophobicContact CE2-CG 4.19Å; Y700-Y706 AromaticContact CE2-CZ 3.72Å; Y700-Y706 AromaticContact CG-CE1 3.87Å; Y700-Y706 HydrophobicContact CG-CE1 3.87Å; Y700-Y706 HydrophobicContact CG-CE2 4.18Å; Y700-Y706 AromaticContact CG-CZ 3.53Å; Y700-Y706 VanDerWaalsContact CG-OH 3.23Å; Y700-Y706 AromaticContact CZ-CE1 3.98Å; N701-Y706 PolarHBondContact O-OH 3.37Å; T704-Y706 VanDerWaalsContact CB-CZ 3.46Å; T704-Y706 WeakPolarHBondContact O-CD2 3.2Å; T704-Y706 WeakPolarHBondContact O-CE2 3.33Å; T704-Y706 PolarHBondContact O-N 2.91Å; T704-Y706 PolarHBondContact OG1-OH 3.31Å; Y706-L711 HydrophobicContact CG-CD2 4.14Å; Y706-F837 WeakPolarHBondContact O-CE1 3.35Å; Y706-F837 WeakPolarHBondContact O-CE2 3.42Å; Y706-F837 WeakPolarHBondContact O-CZ 3.23Å
707S78.6Confident79.2Confident40 Ų4055.9 Ų55.928%0.2828%0.279SS..  trans-87152.7163.477.90000110S709 K710 L711S707-S709 VanDerWaalsContact C-N 3.3Å; S707-S709 PolarHBondContact O-N 3.42Å; S707-K710 WeakPolarHBondContact O-CB 3.39Å; S707-K710 PolarHBondContact O-N 3.09Å; S707-K710 VanDerWaalsContact O-N 3.15Å; S707-K710 WeakPolarHBondContact OG-CB 3.48Å; S707-K710 PolarHBondContact OG-N 3.44Å; S707-K710 VanDerWaalsContact OG-N 3.15Å; S707-L711 PolarHBondContact O-N 3.47Å; S707-L711 VanDerWaalsContact O-N 3.08Å
708L84Confident79.1Confident5 Ų556.5 Ų56.53%0.02628%0.284CS..Hα-helixtrans-64.5-39.1179.5-179.957.5000110.6K710 L711 I712 W801 L830 F837L708-K710 VanDerWaalsContact C-N 3.27Å; L708-K710 PolarHBondContact O-N 3.24Å; L708-L711 PolarHBondContact O-N 2.95Å; L708-I712 HydrophobicContact CD1-CD1 4.31Å; L708-I712 HydrophobicContact CD1-CG1 4.4Å; L708-I712 HydrophobicContact CG-CD1 3.95Å; L708-I712 WeakPolarHBondContact O-CD1 3.35Å; L708-I712 WeakPolarHBondContact O-CG1 3.31Å; L708-I712 PolarHBondContact O-N 2.91Å; L708-W801 HydrophobicContact CD1-CZ2 4.04Å; L708-L830 HydrophobicContact CD1-CD1 3.59Å; L708-F837 HydrophobicContact CB-CE1 3.78Å; L708-F837 HydrophobicContact CB-CZ 4.12Å; L708-F837 VanDerWaalsContact N-CE1 3.31Å
709S86.7Confident79.2Confident3 Ų356 Ų562%0.02128%0.281CS..Hα-helixtrans-57.2-40.8173.7-51.70000111.9S707 I712 L713 D866S707-S709 VanDerWaalsContact C-N 3.3Å; S707-S709 PolarHBondContact O-N 3.42Å; S709-I712 PolarHBondContact O-N 3.22Å; S709-L713 WeakPolarHBondContact O-CB 3.39Å; S709-L713 PolarHBondContact O-N 2.91Å; S709-D866 WeakPolarHBondContact CB-OD2 3.32Å; S709-D866 PolarHBondContact OG-OD2 3.27Å
710K86.6Confident78.4Confident59 Ų5950.3 Ų50.326%0.25725%0.252SS..Hα-helixtrans-65.6-47.5177.5176.7168.7168.8155.90111.7S707 L708 I712 L713 D714 L852 Y855S707-K710 WeakPolarHBondContact O-CB 3.39Å; S707-K710 PolarHBondContact O-N 3.09Å; S707-K710 VanDerWaalsContact O-N 3.15Å; S707-K710 WeakPolarHBondContact OG-CB 3.48Å; S707-K710 PolarHBondContact OG-N 3.44Å; S707-K710 VanDerWaalsContact OG-N 3.15Å; L708-K710 VanDerWaalsContact C-N 3.27Å; L708-K710 PolarHBondContact O-N 3.24Å; K710-I712 PolarHBondContact O-N 3.01Å; K710-L713 PolarHBondContact O-N 3.44Å; K710-D714 WeakPolarHBondContact CE-OD2 3.39Å; K710-D714 WeakPolarHBondContact CG-OD2 3.35Å; K710-D714 WeakPolarHBondContact O-CB 3.44Å; K710-D714 PolarHBondContact O-N 3.34Å; K710-L852 HydrophobicContact CB-CD2 3.7Å; K710-L852 HydrophobicContact CG-CD2 4.42Å; K710-Y855 HydrophobicContact CD-CE2 4.38Å; K710-Y855 WeakPolarHBondContact CE-OH 3.04Å; K710-Y855 PolarHBondContact NZ-OH 3.04Å
711L87.4Confident77.7Confident0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-56.5-41.3175.4-67173.6000111.3P694 V695 L698 Y700 Y706 S707 L708 M715 W801 F837P694-L711 HydrophobicContact CG-CD1 4.14Å; V695-L711 HydrophobicContact CG2-CD1 4.04Å; V695-L711 HydrophobicContact CG2-CD2 3.93Å; L698-L711 HydrophobicContact CD1-CD2 4.01Å; Y700-L711 HydrophobicContact CD2-CD2 3.8Å; Y700-L711 HydrophobicContact CE2-CD2 3.72Å; Y706-L711 HydrophobicContact CG-CD2 4.14Å; S707-L711 PolarHBondContact O-N 3.47Å; S707-L711 VanDerWaalsContact O-N 3.08Å; L708-L711 PolarHBondContact O-N 2.95Å; L711-M715 VanDerWaalsContact O-CB 3.3Å; L711-M715 WeakPolarHBondContact O-CB 3.43Å; L711-M715 VanDerWaalsContact O-CG 3.23Å; L711-M715 WeakPolarHBondContact O-CG 3.38Å; L711-M715 PolarHBondContact O-N 3.48Å; L711-W801 HydrophobicContact CB-CH2 4.4Å; L711-F837 HydrophobicContact CD1-CE2 3.81Å; L711-F837 HydrophobicContact CD1-CZ 3.74Å
712I89.5Confident77.2Confident0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-63.6-49.6177.6-65.8164.1000111.1L708 S709 K710 D714 M715 A716 W801 E805 C870 M874L708-I712 HydrophobicContact CD1-CD1 4.31Å; L708-I712 HydrophobicContact CD1-CG1 4.4Å; L708-I712 HydrophobicContact CG-CD1 3.95Å; L708-I712 WeakPolarHBondContact O-CD1 3.35Å; L708-I712 WeakPolarHBondContact O-CG1 3.31Å; L708-I712 PolarHBondContact O-N 2.91Å; S709-I712 PolarHBondContact O-N 3.22Å; K710-I712 PolarHBondContact O-N 3.01Å; I712-D714 PolarHBondContact O-N 3.43Å; I712-M715 PolarHBondContact O-N 2.84Å; I712-A716 VanDerWaalsContact O-CB 3.29Å; I712-A716 WeakPolarHBondContact O-CB 3.45Å; I712-A716 PolarHBondContact O-N 3.41Å; I712-W801 VanDerWaalsContact CA-CH2 3.43Å; I712-W801 HydrophobicContact CB-CH2 3.92Å; I712-W801 HydrophobicContact CB-CZ3 4.43Å; I712-W801 HydrophobicContact CG1-CH2 3.27Å; I712-W801 HydrophobicContact CG1-CZ2 3.59Å; I712-W801 HydrophobicContact CG1-CZ3 4.05Å; I712-E805 HydrophobicContact CD1-CB 4.45Å; I712-E805 HydrophobicContact CD1-CG 3.92Å; I712-E805 WeakPolarHBondContact CD1-OE2 3.38Å; I712-E805 HydrophobicContact CG1-CG 3.97Å; I712-E805 HydrophobicContact CG2-CB 4.47Å; I712-C870 HydrophobicContact CG2-CB 4.13Å; I712-M874 HydrophobicContact CG2-CE 3.27Å
713L89.9Confident76.4Confident9 Ų948.5 Ų48.55%0.04725%0.252CS..Hα-helixtrans-57.5-50178178.863.8000110.9S709 K710 A716 N717 L852 Y855 A873S709-L713 WeakPolarHBondContact O-CB 3.39Å; S709-L713 PolarHBondContact O-N 2.91Å; K710-L713 PolarHBondContact O-N 3.44Å; L713-A716 PolarHBondContact O-N 2.7Å; L713-N717 WeakPolarHBondContact O-CB 3.43Å; L713-N717 PolarHBondContact O-N 3.36Å; L713-N717 PolarHBondContact O-ND2 3.07Å; L713-N717 PolarHBondContact O-OD1 2.94Å; L713-L852 HydrophobicContact CB-CD1 4.25Å; L713-L852 HydrophobicContact CD2-CD1 4.05Å; L713-L852 HydrophobicContact CD2-CD2 4.29Å; L713-Y855 HydrophobicContact CD2-CD1 3.63Å; L713-Y855 HydrophobicContact CD2-CD2 4.17Å; L713-Y855 HydrophobicContact CD2-CE1 4.19Å; L713-Y855 HydrophobicContact CD2-CG 3.6Å; L713-A873 HydrophobicContact CD1-CB 3.59Å
714D88.5Confident75.6Confident16 Ų1645 Ų459%0.08625%0.252CS..Hα-helixtrans-68.9-39.1-175.9-69.1-35.9000111.8L698 Y700 K710 I712 N717 N718L698-D714 HydrophobicContact CD1-CB 4.11Å; Y700-D714 PolarHBondContact OH-OD2 2.87Å; K710-D714 WeakPolarHBondContact CE-OD2 3.39Å; K710-D714 WeakPolarHBondContact CG-OD2 3.35Å; K710-D714 WeakPolarHBondContact O-CB 3.44Å; K710-D714 PolarHBondContact O-N 3.34Å; I712-D714 PolarHBondContact O-N 3.43Å; D714-N717 PolarHBondContact O-N 3.5Å; D714-N718 WeakPolarHBondContact O-CB 3.22Å; D714-N718 PolarHBondContact O-N 3.34Å; D714-N718 PolarHBondContact O-ND2 3.3Å
715M89.2Confident74.8Confident0 Ų048.2 Ų48.20%027%0.266CS..Hα-helixtrans-63.8-42.9171.7-73.7-161.985.100112F692 P694 Q697 L698 L711 I712 N717 N718 V719 T798 W801 L802F692-M715 HydrophobicContact CZ-CE 3.81Å; F692-M715 HydrophobicContact CZ-SD 4.42Å; P694-M715 HydrophobicContact CB-SD 3.45Å; P694-M715 WeakPolarHBondContact CB-SD 3.38Å; Q697-M715 HydrophobicContact CB-CE 4.28Å; Q697-M715 HydrophobicContact CG-CE 4.04Å; L698-M715 HydrophobicContact CD1-CG 3.69Å; L698-M715 HydrophobicContact CD2-CG 3.85Å; L698-M715 HydrophobicContact CG-CG 3.76Å; L711-M715 VanDerWaalsContact O-CB 3.3Å; L711-M715 WeakPolarHBondContact O-CB 3.43Å; L711-M715 VanDerWaalsContact O-CG 3.23Å; L711-M715 WeakPolarHBondContact O-CG 3.38Å; L711-M715 PolarHBondContact O-N 3.48Å; I712-M715 PolarHBondContact O-N 2.84Å; M715-N717 VanDerWaalsContact C-N 3.29Å; M715-N717 PolarHBondContact O-N 2.88Å; M715-N718 PolarHBondContact O-N 3.21Å; M715-V719 WeakPolarHBondContact O-CB 3.3Å; M715-V719 WeakPolarHBondContact O-CG2 3.03Å; M715-V719 PolarHBondContact O-N 3.17Å; M715-V719 VanDerWaalsContact O-N 3.13Å; M715-T798 HydrophobicContact CE-CG2 3.42Å; M715-T798 VanDerWaalsContact CE-CG2 3.42Å; M715-W801 HydrophobicContact CB-CH2 4.43Å; M715-W801 HydrophobicContact CB-CZ3 3.72Å; M715-W801 HydrophobicContact CE-CE3 4.43Å; M715-W801 HydrophobicContact CG-CH2 4.27Å; M715-W801 HydrophobicContact CG-CZ3 3.85Å; M715-W801 HydrophobicContact SD-CD2 4.2Å; M715-W801 HydrophobicContact SD-CE3 3.47Å; M715-W801 HydrophobicContact SD-CH2 3.68Å; M715-W801 HydrophobicContact SD-CZ2 4.45Å; M715-W801 HydrophobicContact SD-CZ3 3.19Å; M715-W801 WeakPolarHBondContact SD-CZ3 3.4Å; M715-L802 HydrophobicContact CB-CD2 4.21Å
716A89.9Confident74.2Confident0 Ų043.2 Ų43.20%024%0.242CC..Hα-helixtrans-63.3-37.8177.600000111.9I712 L713 S720 L802 A873 M874 W877I712-A716 VanDerWaalsContact O-CB 3.29Å; I712-A716 WeakPolarHBondContact O-CB 3.45Å; I712-A716 PolarHBondContact O-N 3.41Å; L713-A716 PolarHBondContact O-N 2.7Å; A716-S720 WeakPolarHBondContact O-CB 3.46Å; A716-S720 PolarHBondContact O-N 2.79Å; A716-S720 PolarHBondContact O-OG 2.72Å; A716-L802 HydrophobicContact CB-CD2 4.4Å; A716-A873 HydrophobicContact CB-CB 3.92Å; A716-M874 HydrophobicContact CB-CG 4.02Å; A716-W877 HydrophobicContact CB-CZ2 3.95Å; A716-W877 PolarHBondContact O-NE1 3.3Å
717N86.8Confident74.1Confident28 Ų2842.9 Ų42.915%0.1524%0.242CC..Hα-helixtrans-70-46.9177.2-66.8-13.9000112.3L713 D714 M715 V719 S720 E721 A873 R876L713-N717 WeakPolarHBondContact O-CB 3.43Å; L713-N717 PolarHBondContact O-N 3.36Å; L713-N717 PolarHBondContact O-ND2 3.07Å; L713-N717 PolarHBondContact O-OD1 2.94Å; D714-N717 PolarHBondContact O-N 3.5Å; M715-N717 VanDerWaalsContact C-N 3.29Å; M715-N717 PolarHBondContact O-N 2.88Å; N717-V719 VanDerWaalsContact C-N 3.26Å; N717-V719 PolarHBondContact O-N 3.26Å; N717-S720 CarbonylContact O-C 3.06Å; N717-S720 WeakPolarHBondContact O-CA 3.42Å; N717-S720 WeakPolarHBondContact O-CB 3.36Å; N717-S720 PolarHBondContact O-N 2.83Å; N717-E721 PolarHBondContact O-N 3.36Å; N717-A873 VanDerWaalsContact OD1-CB 3.24Å; N717-A873 WeakPolarHBondContact OD1-CB 3.26Å; N717-R876 VanDerWaalsContact CG-NH2 3.27Å; N717-R876 PolarHBondContact OD1-NH2 3.44Å
718N83.3Confident74Confident46 Ų4646.4 Ų46.425%0.24627%0.266CS..Hα-helixtrans-59.7-38.6179.1-88.3-73.1000112.4L698 D714 M715 S720 S726L698-N718 HydrophobicContact CD2-CB 4.3Å; L698-N718 WeakPolarHBondContact CD2-ND2 3.45Å; D714-N718 WeakPolarHBondContact O-CB 3.22Å; D714-N718 PolarHBondContact O-N 3.34Å; D714-N718 PolarHBondContact O-ND2 3.3Å; M715-N718 PolarHBondContact O-N 3.21Å; N718-S720 PolarHBondContact O-N 3.45Å; N718-S726 WeakPolarHBondContact CB-OG 3.28Å; N718-S726 WeakPolarHBondContact OD1-CB 3.35Å; N718-S726 PolarHBondContact OD1-OG 2.85Å
719V82.2Confident74.1Confident8 Ų846.7 Ų46.75%0.04827%0.268CS..Hα-helixtrans-68.3-23.9174.1165.20000112.4M715 N717 L727 L729 L737 T798 L802 F880M715-V719 WeakPolarHBondContact O-CB 3.3Å; M715-V719 WeakPolarHBondContact O-CG2 3.03Å; M715-V719 PolarHBondContact O-N 3.17Å; M715-V719 VanDerWaalsContact O-N 3.13Å; N717-V719 VanDerWaalsContact C-N 3.26Å; N717-V719 PolarHBondContact O-N 3.26Å; V719-L727 HydrophobicContact CG2-CD1 4.49Å; V719-L729 HydrophobicContact CB-CD1 4.25Å; V719-L729 HydrophobicContact CG1-CD1 3.4Å; V719-L729 VanDerWaalsContact CG1-CD1 3.4Å; V719-L729 HydrophobicContact CG2-CD1 3.98Å; V719-L737 HydrophobicContact CG1-CD1 3.32Å; V719-T798 HydrophobicContact CG2-CG2 4.26Å; V719-L802 HydrophobicContact CG2-CD1 4.02Å; V719-F880 HydrophobicContact CG1-CE2 4.29Å; V719-F880 WeakPolarHBondContact O-CZ 3.42Å
720S64Low74.2Confident13 Ų1348 Ų489%0.09128%0.275CS..Hα-helixtrans-90.7-4.6-177.7-56.40000114.2A716 N717 N718 W877 K879A716-S720 WeakPolarHBondContact O-CB 3.46Å; A716-S720 PolarHBondContact O-N 2.79Å; A716-S720 PolarHBondContact O-OG 2.72Å; N717-S720 CarbonylContact O-C 3.06Å; N717-S720 WeakPolarHBondContact O-CA 3.42Å; N717-S720 WeakPolarHBondContact O-CB 3.36Å; N717-S720 PolarHBondContact O-N 2.83Å; N718-S720 PolarHBondContact O-N 3.45Å; S720-W877 PolarHBondContact OG-NE1 3.27Å; S720-W877 VanDerWaalsContact OG-NE1 3.1Å; S720-K879 VanDerWaalsContact C-NZ 3.34Å; S720-K879 WeakPolarHBondContact O-CE 3.44Å; S720-K879 PolarHBondContact O-NZ 3.48Å
721E60.7Low74.4Confident113 Ų11345.4 Ų45.453%0.52827%0.265SS..  trans-104.2131.9178.8-69.3-175.7-176.400110.7N717 T723N717-E721 PolarHBondContact O-N 3.36Å; E721-T723 WeakPolarHBondContact CB-OG1 3.49Å; E721-T723 PolarHBondContact O-N 2.75Å
722D54.2Low74.6Confident131 Ų13145.5 Ų45.570%0.70127%0.265SS*.  trans-81.411.7179.4-69-56000112.7K879D722-K879 VanDerWaalsContact CG-NZ 3.33Å; D722-K879 IonicContact OD1-NZ 3.38Å; D722-K879 PolarHBondContact OD1-NZ 2.94Å; D722-K879 IonicContact OD2-NZ 3.97Å; D722-K879 PolarHBondContact OD2-NZ 3.17Å
723T45.4Very low74.8Confident90 Ų9045.5 Ų45.555%0.55227%0.265SS*.SBendtrans-75.2142.4179.234.90000111E721 N725E721-T723 WeakPolarHBondContact CB-OG1 3.49Å; E721-T723 PolarHBondContact O-N 2.75Å; T723-N725 PolarHBondContact O-N 2.96Å
724C42.9Very low74.9Confident133 Ų13346.8 Ų46.890%0.89927%0.271SS*.THydrogen-bonded Turntrans-60.211.1-169-160.10000116.2
725N44.6Very low75.2Confident143 Ų14346 Ų4677%0.76527%0.266SS*.THydrogen-bonded Turntrans-130.612.1-154.8-932.8000119.3T723T723-N725 PolarHBondContact O-N 2.96Å
726S54Low75.5Confident37 Ų3746 Ų4626%0.25927%0.266SS..SBendtrans-148.2-31.5171.761.30000121.6N718N718-S726 WeakPolarHBondContact CB-OG 3.28Å; N718-S726 WeakPolarHBondContact OD1-CB 3.35Å; N718-S726 PolarHBondContact OD1-OG 2.85Å
727L67.9Low75.8Confident26 Ų2646 Ų4614%0.13627%0.266CS..  trans-153.7117168.4-84.6107.4000111.4Q697 V719 L729 T798Q697-L727 HydrophobicContact CG-CD1 4.38Å; Q697-L727 HydrophobicContact CG-CD2 4.13Å; V719-L727 HydrophobicContact CG2-CD1 4.49Å; L727-L729 HydrophobicContact CB-CD2 4.41Å; L727-L729 HydrophobicContact CB-CG 4.4Å; L727-L729 HydrophobicContact CD2-CD2 4.27Å; L727-L729 PolarHBondContact O-N 3.02Å; L727-T798 HydrophobicContact CD2-CG2 3.68Å; L727-T798 WeakPolarHBondContact CD2-OG1 3.47Å
728C76.7Confident76.2Confident115 Ų11546.7 Ų46.778%0.77727%0.267SS*.  trans-80.268.6178.5-166.30000111.5N795C728-N795 PolarHBondContact O-ND2 3.39Å
729L86.4Confident76.8Confident11 Ų1145.5 Ų45.56%0.05826%0.262CS..  trans-63.1138-179.2-69.2-169000112.1V719 L727 D733 K734 L737 N795 V799V719-L729 HydrophobicContact CB-CD1 4.25Å; V719-L729 HydrophobicContact CG1-CD1 3.4Å; V719-L729 VanDerWaalsContact CG1-CD1 3.4Å; V719-L729 HydrophobicContact CG2-CD1 3.98Å; L727-L729 HydrophobicContact CB-CD2 4.41Å; L727-L729 HydrophobicContact CB-CG 4.4Å; L727-L729 HydrophobicContact CD2-CD2 4.27Å; L727-L729 PolarHBondContact O-N 3.02Å; L729-D733 HydrophobicContact CB-CB 3.97Å; L729-D733 HydrophobicContact CD1-CB 4.32Å; L729-D733 HydrophobicContact CD2-CB 4.1Å; L729-D733 HydrophobicContact CG-CB 4.38Å; L729-K734 HydrophobicContact CB-CG 4.19Å; L729-K734 WeakPolarHBondContact O-CE 3.45Å; L729-L737 HydrophobicContact CD1-CD1 3.49Å; L729-L737 VanDerWaalsContact CD1-CD1 3.49Å; L729-N795 HydrophobicContact CD2-CB 3.82Å; L729-V799 HydrophobicContact CD2-CG2 4.32Å
730T88.3Confident77.5Confident30 Ų3045.1 Ų45.118%0.18426%0.26CS..  trans-75166.6176.866.20000111.4L732 D733 K734 R782 D948T730-L732 VanDerWaalsContact C-N 3.27Å; T730-L732 PolarHBondContact O-N 2.99Å; T730-D733 WeakPolarHBondContact CB-OD2 3.41Å; T730-D733 PolarHBondContact N-OD2 3.41Å; T730-D733 WeakPolarHBondContact O-CB 3.18Å; T730-D733 PolarHBondContact O-N 3.44Å; T730-D733 PolarHBondContact OG1-N 2.93Å; T730-D733 PolarHBondContact OG1-OD1 3.48Å; T730-D733 PolarHBondContact OG1-OD2 3.12Å; T730-K734 WeakPolarHBondContact O-CG 3.38Å; T730-K734 PolarHBondContact O-N 2.8Å; T730-R782 PolarHBondContact OG1-NH1 2.97Å; T730-D948 WeakPolarHBondContact CB-OD1 3.28Å; T730-D948 VanDerWaalsContact CB-OD2 3.23Å; T730-D948 WeakPolarHBondContact CB-OD2 3.27Å
731A90.3Very high79Confident5 Ų544.6 Ų44.64%0.04126%0.257CS..Hα-helixtrans-65.9-33.817800000111.5D733 K734 A735 Y883 L936 D948A731-D733 VanDerWaalsContact C-N 3.34Å; A731-K734 PolarHBondContact O-N 3.42Å; A731-A735 WeakPolarHBondContact O-CB 3.5Å; A731-A735 PolarHBondContact O-N 3.31Å; A731-Y883 HydrophobicContact CB-CD1 3.67Å; A731-Y883 HydrophobicContact CB-CE1 4.38Å; A731-L936 HydrophobicContact CB-CD2 3.65Å; A731-D948 WeakPolarHBondContact CA-OD2 3.44Å; A731-D948 WeakPolarHBondContact CB-OD2 3.46Å; A731-D948 PolarHBondContact N-OD2 3.5Å
732L91.6Very high80.7Confident1 Ų141.4 Ų41.41%0.00525%0.245CC..Hα-helixtrans-56.4-46.4169.3-83.3175.6000112.3T730 A735 V736 Y775 V779 V887 D948 I952T730-L732 VanDerWaalsContact C-N 3.27Å; T730-L732 PolarHBondContact O-N 2.99Å; L732-A735 PolarHBondContact O-N 3.06Å; L732-V736 PolarHBondContact O-N 3.37Å; L732-Y775 HydrophobicContact CB-CD2 4.09Å; L732-Y775 HydrophobicContact CB-CE2 4.03Å; L732-Y775 HydrophobicContact CD2-CD2 4.48Å; L732-V779 HydrophobicContact CD1-CG1 4.37Å; L732-V887 HydrophobicContact CD2-CG1 3.76Å; L732-V887 HydrophobicContact CD2-CG2 4.03Å; L732-D948 HydrophobicContact CD1-CB 4.13Å; L732-D948 HydrophobicContact CG-CB 4.1Å; L732-D948 PolarHBondContact N-OD2 3.32Å; L732-I952 HydrophobicContact CD1-CG1 4.16Å; L732-I952 HydrophobicContact CD2-CD1 3.74Å; L732-I952 HydrophobicContact CD2-CG1 3.68Å; L732-I952 HydrophobicContact CG-CD1 4.11Å; L732-I952 HydrophobicContact CG-CG1 4.17Å
733D93.3Very high82.8Confident0 Ų035.7 Ų35.70%021%0.214CC..Hα-helixtrans-62.5-50.3179.7-60-26.9000110.6L729 T730 A731 A735 V736 L737 Y775 R782 V799L729-D733 HydrophobicContact CB-CB 3.97Å; L729-D733 HydrophobicContact CD1-CB 4.32Å; L729-D733 HydrophobicContact CD2-CB 4.1Å; L729-D733 HydrophobicContact CG-CB 4.38Å; T730-D733 WeakPolarHBondContact CB-OD2 3.41Å; T730-D733 PolarHBondContact N-OD2 3.41Å; T730-D733 WeakPolarHBondContact O-CB 3.18Å; T730-D733 PolarHBondContact O-N 3.44Å; T730-D733 PolarHBondContact OG1-N 2.93Å; T730-D733 PolarHBondContact OG1-OD1 3.48Å; T730-D733 PolarHBondContact OG1-OD2 3.12Å; A731-D733 VanDerWaalsContact C-N 3.34Å; D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 3.24Å; D733-V736 PolarHBondContact O-N 3.25Å; D733-V736 VanDerWaalsContact O-N 3.16Å; D733-L737 WeakPolarHBondContact O-CG 3.36Å; D733-L737 PolarHBondContact O-N 3.45Å; D733-Y775 WeakPolarHBondContact OD1-CE2 3.4Å; D733-Y775 PolarHBondContact OD1-OH 3.16Å; D733-R782 IonicContact OD1-CZ 3.96Å; D733-R782 IonicContact OD1-NH1 3.18Å; D733-R782 IonicContact OD1-NH2 2.82Å; D733-R782 PolarHBondContact OD1-NH2 3.18Å; D733-R782 IonicContact OD2-NH1 3.9Å; D733-R782 IonicContact OD2-NH2 2.77Å; D733-V799 HydrophobicContact CB-CG2 3.59Å
734K93.3Very high85.3Confident36 Ų3631.4 Ų31.416%0.15719%0.188CC..Hα-helixtrans-59.8-36.8179.8-70176-176.2178.30112.3L729 T730 A731 L737 Y738 F880 Y883L729-K734 HydrophobicContact CB-CG 4.19Å; L729-K734 WeakPolarHBondContact O-CE 3.45Å; T730-K734 WeakPolarHBondContact O-CG 3.38Å; T730-K734 PolarHBondContact O-N 2.8Å; A731-K734 PolarHBondContact O-N 3.42Å; K734-L737 PolarHBondContact O-N 3Å; K734-Y738 PolarHBondContact O-N 2.98Å; K734-F880 HydrophobicContact CB-CB 4.03Å; K734-F880 HydrophobicContact CB-CD1 4.07Å; K734-F880 HydrophobicContact CB-CD2 4.09Å; K734-F880 HydrophobicContact CB-CG 3.81Å; K734-F880 HydrophobicContact CD-CD1 3.89Å; K734-F880 HydrophobicContact CD-CE1 3.85Å; K734-F880 HydrophobicContact CD-CG 4.48Å; K734-F880 HydrophobicContact CD-CZ 4.42Å; K734-F880 HydrophobicContact CG-CD1 3.93Å; K734-F880 HydrophobicContact CG-CD2 4.19Å; K734-F880 HydrophobicContact CG-CE1 3.95Å; K734-F880 HydrophobicContact CG-CE2 4.22Å; K734-F880 HydrophobicContact CG-CG 4.06Å; K734-F880 HydrophobicContact CG-CZ 4.1Å; K734-F880 WeakPolarHBondContact O-CB 3.47Å; K734-Y883 HydrophobicContact CB-CD2 3.98Å; K734-Y883 HydrophobicContact CB-CG 3.92Å; K734-Y883 HydrophobicContact CD-CD1 4.16Å; K734-Y883 HydrophobicContact CD-CD2 3.76Å; K734-Y883 HydrophobicContact CD-CE1 4.02Å; K734-Y883 HydrophobicContact CD-CE2 3.64Å; K734-Y883 HydrophobicContact CD-CG 4.01Å; K734-Y883 HydrophobicContact CG-CD2 4.47Å
735A94.5Very high87.8Confident0 Ų026.8 Ų26.80%016%0.157CC..Hα-helixtrans-64-38.7176.900000113.3A731 L732 D733 S739 V887A731-A735 WeakPolarHBondContact O-CB 3.5Å; A731-A735 PolarHBondContact O-N 3.31Å; L732-A735 PolarHBondContact O-N 3.06Å; D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 3.24Å; A735-S739 PolarHBondContact O-N 3.38Å; A735-S739 PolarHBondContact O-OG 3.41Å; A735-V887 HydrophobicContact CB-CB 4.04Å; A735-V887 HydrophobicContact CB-CG1 4.48Å; A735-V887 HydrophobicContact CB-CG2 3.75Å
736V96.1Very high90.3Very high0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-66.5-45.5175.8173.70000110.5L732 D733 Y738 S739 L740 F767 L771 Y775 V799L732-V736 PolarHBondContact O-N 3.37Å; D733-V736 PolarHBondContact O-N 3.25Å; D733-V736 VanDerWaalsContact O-N 3.16Å; V736-Y738 PolarHBondContact O-N 3.29Å; V736-S739 WeakPolarHBondContact O-CB 3.21Å; V736-S739 PolarHBondContact O-N 3.04Å; V736-S739 VanDerWaalsContact O-N 3.15Å; V736-L740 HydrophobicContact CG1-CD1 4.28Å; V736-L740 PolarHBondContact O-N 2.94Å; V736-F767 HydrophobicContact CG1-CE2 4.09Å; V736-F767 HydrophobicContact CG1-CZ 3.96Å; V736-L771 HydrophobicContact CG1-CD1 3.89Å; V736-L771 HydrophobicContact CG2-CD1 4.08Å; V736-Y775 HydrophobicContact CG2-CD1 3.8Å; V736-Y775 HydrophobicContact CG2-CD2 3.49Å; V736-Y775 VanDerWaalsContact CG2-CD2 3.49Å; V736-Y775 HydrophobicContact CG2-CE1 4.16Å; V736-Y775 HydrophobicContact CG2-CE2 3.92Å; V736-Y775 HydrophobicContact CG2-CG 3.43Å; V736-Y775 VanDerWaalsContact CG2-CG 3.43Å; V736-V799 HydrophobicContact CB-CG1 4.09Å; V736-V799 HydrophobicContact CG1-CG1 3.82Å
737L95.5Very high92.3Very high0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-63.4-41.1179.4-62.5176.1000112.3V719 L729 D733 K734 S739 L740 S741 V799 L802 W877 F880V719-L737 HydrophobicContact CG1-CD1 3.32Å; L729-L737 HydrophobicContact CD1-CD1 3.49Å; L729-L737 VanDerWaalsContact CD1-CD1 3.49Å; D733-L737 WeakPolarHBondContact O-CG 3.36Å; D733-L737 PolarHBondContact O-N 3.45Å; K734-L737 PolarHBondContact O-N 3Å; L737-S739 VanDerWaalsContact C-N 3.31Å; L737-S739 PolarHBondContact O-N 3.1Å; L737-L740 PolarHBondContact O-N 3.5Å; L737-S741 PolarHBondContact O-N 3.49Å; L737-V799 HydrophobicContact CD2-CG1 4.45Å; L737-L802 HydrophobicContact CD2-CB 4.39Å; L737-L802 HydrophobicContact CD2-CD1 4.21Å; L737-W877 HydrophobicContact CB-CB 3.99Å; L737-W877 HydrophobicContact CB-CD2 3.77Å; L737-W877 HydrophobicContact CB-CE3 3.71Å; L737-W877 HydrophobicContact CB-CG 3.91Å; L737-W877 HydrophobicContact CB-CZ3 4.44Å; L737-W877 HydrophobicContact CD1-CD2 4.5Å; L737-W877 HydrophobicContact CD2-CD2 4.07Å; L737-W877 HydrophobicContact CD2-CE3 3.75Å; L737-W877 HydrophobicContact CD2-CH2 3.8Å; L737-W877 HydrophobicContact CD2-CZ2 4.12Å; L737-W877 HydrophobicContact CD2-CZ3 3.6Å; L737-W877 HydrophobicContact CG-CD2 4.32Å; L737-W877 HydrophobicContact CG-CE3 4.27Å; L737-F880 HydrophobicContact CB-CD2 4.19Å; L737-F880 HydrophobicContact CD1-CE2 4.22Å
738Y95.6Very high93.5Very high42 Ų4221.6 Ų21.617%0.16513%0.126CC..Hα-helixtrans-57-45171.3171.8-104.3000112.4K734 V736 L740 S741 T742 D878 K881K734-Y738 PolarHBondContact O-N 2.98Å; V736-Y738 PolarHBondContact O-N 3.29Å; Y738-L740 VanDerWaalsContact C-N 3.3Å; Y738-L740 PolarHBondContact O-N 2.82Å; Y738-S741 PolarHBondContact O-N 2.86Å; Y738-T742 PolarHBondContact O-N 3.12Å; Y738-T742 PolarHBondContact O-OG1 2.89Å; Y738-D878 WeakPolarHBondContact CD2-O 3.47Å; Y738-D878 WeakPolarHBondContact CE2-O 3.25Å; Y738-K881 HydrophobicContact CD2-CB 3.88Å; Y738-K881 VanDerWaalsContact CD2-N 3.31Å; Y738-K881 HydrophobicContact CE1-CG 4.46Å; Y738-K881 VanDerWaalsContact CE2-CA 3.41Å; Y738-K881 HydrophobicContact CE2-CB 3.41Å; Y738-K881 VanDerWaalsContact CE2-CB 3.41Å; Y738-K881 HydrophobicContact CE2-CD 4.33Å; Y738-K881 HydrophobicContact CE2-CG 3.8Å
739S96Very high94.4Very high21 Ų2121.5 Ų21.515%0.14712%0.118CC..Hα-helixtrans-62.2-41.7-179.7-54.50000110.8A735 V736 L737 T742 I743A735-S739 PolarHBondContact O-N 3.38Å; A735-S739 PolarHBondContact O-OG 3.41Å; V736-S739 WeakPolarHBondContact O-CB 3.21Å; V736-S739 PolarHBondContact O-N 3.04Å; V736-S739 VanDerWaalsContact O-N 3.15Å; L737-S739 VanDerWaalsContact C-N 3.31Å; L737-S739 PolarHBondContact O-N 3.1Å; S739-T742 PolarHBondContact O-N 3.36Å; S739-I743 WeakPolarHBondContact O-CG1 3.29Å; S739-I743 PolarHBondContact O-N 3.36Å
740L96.6Very high94.8Very high1 Ų123.2 Ų23.21%0.00513%0.129CC..Hα-helixtrans-64-45.6174.8-71.3170.4000112.3V736 L737 Y738 T742 I743 I744 F767 T803 C806 W877V736-L740 HydrophobicContact CG1-CD1 4.28Å; V736-L740 PolarHBondContact O-N 2.94Å; L737-L740 PolarHBondContact O-N 3.5Å; Y738-L740 VanDerWaalsContact C-N 3.3Å; Y738-L740 PolarHBondContact O-N 2.82Å; L740-T742 VanDerWaalsContact C-N 3.28Å; L740-T742 PolarHBondContact O-N 2.84Å; L740-I743 PolarHBondContact O-N 3.11Å; L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.47Å; L740-I744 PolarHBondContact O-N 3.3Å; L740-F767 HydrophobicContact CD1-CZ 4.3Å; L740-F767 HydrophobicContact CD2-CD1 4.35Å; L740-F767 HydrophobicContact CD2-CE1 3.67Å; L740-F767 HydrophobicContact CD2-CE2 4.09Å; L740-F767 HydrophobicContact CD2-CZ 3.52Å; L740-F767 HydrophobicContact CG-CE1 4.42Å; L740-F767 HydrophobicContact CG-CE2 4.07Å; L740-F767 HydrophobicContact CG-CZ 3.76Å; L740-T803 HydrophobicContact CD1-CG2 4.15Å; L740-T803 HydrophobicContact CD2-CG2 4.4Å; L740-C806 HydrophobicContact CD1-CB 4.38Å; L740-C806 HydrophobicContact CD2-CB 4.14Å; L740-W877 HydrophobicContact CB-CE3 4.39Å; L740-W877 HydrophobicContact CB-CZ3 4.28Å; L740-W877 HydrophobicContact CD1-CZ3 4.26Å
741S96.1Very high95.2Very high2 Ų223 Ų231%0.01413%0.125CC..Hα-helixtrans-57.1-43.1176.5153.80000111.5L737 Y738 I743 I744 S745 N875 D878L737-S741 PolarHBondContact O-N 3.49Å; Y738-S741 PolarHBondContact O-N 2.86Å; S741-I743 PolarHBondContact O-N 3.3Å; S741-I744 PolarHBondContact O-N 2.93Å; S741-S745 WeakPolarHBondContact O-CB 3.3Å; S741-S745 PolarHBondContact O-N 3.22Å; S741-N875 PolarHBondContact O-OD1 3.38Å; S741-N875 PolarHBondContact OG-O 2.87Å; S741-D878 WeakPolarHBondContact OG-CA 3.24Å; S741-D878 WeakPolarHBondContact OG-CB 3.32Å; S741-D878 PolarHBondContact OG-N 3.47Å; S741-D878 VanDerWaalsContact OG-N 3.08Å
742T96.2Very high95.5Very high46 Ų4623.6 Ų23.628%0.28213%0.126SC..Hα-helixtrans-59.8-46.6177.3-55.40000111.4Y738 S739 L740 I744 S745 N746Y738-T742 PolarHBondContact O-N 3.12Å; Y738-T742 PolarHBondContact O-OG1 2.89Å; S739-T742 PolarHBondContact O-N 3.36Å; L740-T742 VanDerWaalsContact C-N 3.28Å; L740-T742 PolarHBondContact O-N 2.84Å; T742-I744 PolarHBondContact O-N 3.42Å; T742-S745 PolarHBondContact O-N 3.35Å; T742-N746 WeakPolarHBondContact O-CB 3.24Å; T742-N746 VanDerWaalsContact O-CG 3.27Å; T742-N746 PolarHBondContact O-N 2.96Å; T742-N746 PolarHBondContact O-ND2 3Å
743I97.7Very high95.5Very high11 Ų1126.9 Ų26.96%0.05615%0.148CC..Hα-helixtrans-63.5-42.5177.9-63.2165.9000110.5S739 L740 S741 S747 E763 I764 F767 L810S739-I743 WeakPolarHBondContact O-CG1 3.29Å; S739-I743 PolarHBondContact O-N 3.36Å; L740-I743 PolarHBondContact O-N 3.11Å; S741-I743 PolarHBondContact O-N 3.3Å; I743-S747 WeakPolarHBondContact O-CB 3.22Å; I743-S747 PolarHBondContact O-N 3.44Å; I743-S747 PolarHBondContact O-OG 2.92Å; I743-E763 HydrophobicContact CG1-CB 4.41Å; I743-I764 HydrophobicContact CG2-CG1 4.37Å; I743-F767 HydrophobicContact CD1-CB 3.69Å; I743-F767 HydrophobicContact CD1-CD2 4.22Å; I743-F767 HydrophobicContact CD1-CG 3.9Å; I743-L810 HydrophobicContact CG2-CD1 3.84Å
744I97Very high95.5Very high0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-61.2-52.9177.9-69.1165.6000110.2L740 S741 T742 N746 S747 L748 C806 L810 L871 M874 N875L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.47Å; L740-I744 PolarHBondContact O-N 3.3Å; S741-I744 PolarHBondContact O-N 2.93Å; T742-I744 PolarHBondContact O-N 3.42Å; I744-N746 PolarHBondContact O-N 2.87Å; I744-S747 PolarHBondContact O-N 3.22Å; I744-L748 HydrophobicContact CG2-CD1 3.85Å; I744-L748 HydrophobicContact CG2-CG 4.32Å; I744-L748 WeakPolarHBondContact O-CG 3.43Å; I744-L748 PolarHBondContact O-N 3.35Å; I744-C806 HydrophobicContact CD1-CB 4.43Å; I744-L810 HydrophobicContact CG1-CD1 3.97Å; I744-L810 HydrophobicContact CG1-CD2 4.3Å; I744-L810 HydrophobicContact CG1-CG 4.37Å; I744-L871 HydrophobicContact CD1-CD2 4.01Å; I744-L871 HydrophobicContact CG1-CD2 4.11Å; I744-L871 HydrophobicContact CG2-CB 4.21Å; I744-L871 HydrophobicContact CG2-CD2 4.13Å; I744-M874 HydrophobicContact CD1-CB 3.66Å; I744-N875 HydrophobicContact CG2-CB 4.26Å
745S96.2Very high95.6Very high35 Ų3530 Ų3025%0.24516%0.163CC..Hα-helixtrans-55.4-50.6-179.8-170.80000111.5S741 T742 S747 L748 N749 N875S741-S745 WeakPolarHBondContact O-CB 3.3Å; S741-S745 PolarHBondContact O-N 3.22Å; T742-S745 PolarHBondContact O-N 3.35Å; S745-S747 VanDerWaalsContact C-N 3.34Å; S745-S747 PolarHBondContact O-N 3.47Å; S745-L748 PolarHBondContact O-N 2.77Å; S745-N749 VanDerWaalsContact O-CB 3.27Å; S745-N749 WeakPolarHBondContact O-CB 3.49Å; S745-N749 PolarHBondContact O-N 3.19Å; S745-N749 PolarHBondContact O-ND2 3.03Å; S745-N749 PolarHBondContact OG-ND2 2.95Å; S745-N875 VanDerWaalsContact CB-OD1 3.3Å; S745-N875 WeakPolarHBondContact CB-OD1 3.49Å
746N97.3Very high95.6Very high49 Ų4935.8 Ų35.826%0.26219%0.185SC..Hα-helixtrans-65.9-39.3-179.2-67.1-18.4000111.6T742 I744 T750 Y751T742-N746 WeakPolarHBondContact O-CB 3.24Å; T742-N746 VanDerWaalsContact O-CG 3.27Å; T742-N746 PolarHBondContact O-N 2.96Å; T742-N746 PolarHBondContact O-ND2 3Å; I744-N746 PolarHBondContact O-N 2.87Å; N746-T750 WeakPolarHBondContact O-CA 3.41Å; N746-T750 WeakPolarHBondContact O-CB 3.44Å; N746-T750 PolarHBondContact O-N 2.88Å; N746-Y751 HydrophobicContact CB-CD2 3.97Å; N746-Y751 HydrophobicContact CB-CE1 4.34Å; N746-Y751 HydrophobicContact CB-CE2 3.36Å; N746-Y751 PolarHBondContact O-N 3.24Å
747S96.7Very high95.7Very high0 Ų035.8 Ų35.80%019%0.185CC..Iπ-helixtrans-61.6-47.8178-630000112I743 I744 S745 Y751 Y752I743-S747 WeakPolarHBondContact O-CB 3.22Å; I743-S747 PolarHBondContact O-N 3.44Å; I743-S747 PolarHBondContact O-OG 2.92Å; I744-S747 PolarHBondContact O-N 3.22Å; S745-S747 VanDerWaalsContact C-N 3.34Å; S745-S747 PolarHBondContact O-N 3.47Å; S747-Y751 PolarHBondContact O-N 3.14Å; S747-Y752 WeakPolarHBondContact O-CB 3.42Å; S747-Y752 VanDerWaalsContact O-CD2 3.3Å; S747-Y752 WeakPolarHBondContact O-CD2 3.43Å; S747-Y752 PolarHBondContact O-N 2.86Å
748L93.3Very high95.7Very high49 Ų4937.9 Ų37.926%0.25720%0.196SC..Iπ-helixtrans-73.3-43.1-177-65.2-178.2000112.8I744 S745 P753 W867 L871I744-L748 HydrophobicContact CG2-CD1 3.85Å; I744-L748 HydrophobicContact CG2-CG 4.32Å; I744-L748 WeakPolarHBondContact O-CG 3.43Å; I744-L748 PolarHBondContact O-N 3.35Å; S745-L748 PolarHBondContact O-N 2.77Å; L748-P753 WeakPolarHBondContact O-CD 3.29Å; L748-P753 VanDerWaalsContact O-CG 3.29Å; L748-P753 WeakPolarHBondContact O-CG 3.41Å; L748-W867 HydrophobicContact CD2-CH2 3.22Å; L748-W867 HydrophobicContact CD2-CZ2 3.9Å; L748-W867 HydrophobicContact CD2-CZ3 3.9Å; L748-L871 HydrophobicContact CD1-CB 4.14Å; L748-L871 HydrophobicContact CD1-CD1 4.14Å; L748-L871 HydrophobicContact CD2-CD1 3.96Å; L748-L871 HydrophobicContact CG-CD1 4.45Å
749N94.2Very high95.8Very high112 Ų11237.8 Ų37.860%0.59920%0.2SC*.Iπ-helixtrans-87.9-27.2-171.4-63.5-42.6000113.1S745S745-N749 VanDerWaalsContact O-CB 3.27Å; S745-N749 WeakPolarHBondContact O-CB 3.49Å; S745-N749 PolarHBondContact O-N 3.19Å; S745-N749 PolarHBondContact O-ND2 3.03Å; S745-N749 PolarHBondContact OG-ND2 2.95Å
750T95.1Very high95.9Very high48 Ų4836.8 Ų36.829%0.29419%0.193SC..Iπ-helixtrans-125.2-54.9-172.7-52.80000112.4N746 Q754N746-T750 WeakPolarHBondContact O-CA 3.41Å; N746-T750 WeakPolarHBondContact O-CB 3.44Å; N746-T750 PolarHBondContact O-N 2.88Å; T750-Q754 VanDerWaalsContact O-CB 3.31Å; T750-Q754 WeakPolarHBondContact O-CB 3.24Å; T750-Q754 VanDerWaalsContact O-CG 3.32Å; T750-Q754 WeakPolarHBondContact O-CG 3.43Å; T750-Q754 PolarHBondContact O-N 3.17Å
751Y96.6Very high96Very high26 Ų2637 Ų3710%0.10219%0.194CC..Iπ-helixtrans-77.2-46.6-163.4-51.8-31.7000114N746 S747 Q754 F755 R756 T759 I760 E763N746-Y751 HydrophobicContact CB-CD2 3.97Å; N746-Y751 HydrophobicContact CB-CE1 4.34Å; N746-Y751 HydrophobicContact CB-CE2 3.36Å; N746-Y751 PolarHBondContact O-N 3.24Å; S747-Y751 PolarHBondContact O-N 3.14Å; Y751-Q754 CarbonylContact O-C 3.53Å; Y751-Q754 PolarHBondContact O-N 2.97Å; Y751-F755 CarbonylContact O-C 3.34Å; Y751-F755 PolarHBondContact O-N 3.01Å; Y751-R756 HydrophobicContact CD1-CB 4.26Å; Y751-R756 PolarHBondContact O-N 2.89Å; Y751-T759 HydrophobicContact CD1-CG2 4.15Å; Y751-T759 HydrophobicContact CD2-CG2 4.3Å; Y751-T759 HydrophobicContact CE1-CG2 3.68Å; Y751-T759 HydrophobicContact CE2-CG2 3.81Å; Y751-T759 HydrophobicContact CG-CG2 4.45Å; Y751-T759 VanDerWaalsContact CZ-CG2 3.47Å; Y751-I760 VanDerWaalsContact CB-CG1 3.48Å; Y751-I760 HydrophobicContact CD2-CG1 3.63Å; Y751-I760 HydrophobicContact CG-CG1 3.99Å; Y751-E763 WeakPolarHBondContact CE2-OE1 3.46Å; Y751-E763 VanDerWaalsContact CZ-OE1 3.31Å; Y751-E763 PolarHBondContact OH-OE1 3.37Å
752Y96.1Very high96Very high16 Ų1639 Ų396%0.06321%0.208CC..THydrogen-bonded Turntrans-64.2-48.2175.3-78-56.6000113L96 S747 Q754 F755 Y757 I760 L810 I814L96-Y752 HydrophobicContact CD1-CD1 3.21Å; L96-Y752 HydrophobicContact CD1-CE1 3.74Å; L96-Y752 HydrophobicContact CD1-CG 3.88Å; L96-Y752 HydrophobicContact CD2-CD1 3.55Å; L96-Y752 HydrophobicContact CD2-CD2 3.88Å; L96-Y752 HydrophobicContact CD2-CE1 3.66Å; L96-Y752 HydrophobicContact CD2-CE2 3.98Å; L96-Y752 HydrophobicContact CD2-CG 3.68Å; L96-Y752 HydrophobicContact CG-CD1 3.98Å; L96-Y752 HydrophobicContact CG-CE1 4.21Å; L96-Y752 HydrophobicContact CG-CG 4.44Å; S747-Y752 WeakPolarHBondContact O-CB 3.42Å; S747-Y752 VanDerWaalsContact O-CD2 3.3Å; S747-Y752 WeakPolarHBondContact O-CD2 3.43Å; S747-Y752 PolarHBondContact O-N 2.86Å; Y752-Q754 PolarHBondContact O-N 3.31Å; Y752-F755 PolarHBondContact O-N 3.38Å; Y752-F755 VanDerWaalsContact O-N 3.12Å; Y752-Y757 AromaticContact CD1-CD1 3.85Å; Y752-Y757 HydrophobicContact CD1-CD1 3.85Å; Y752-Y757 AromaticContact CD1-CE1 3.67Å; Y752-Y757 HydrophobicContact CD1-CE1 3.67Å; Y752-Y757 AromaticContact CE1-CD1 3.98Å; Y752-Y757 HydrophobicContact CE1-CD1 3.98Å; Y752-Y757 HydrophobicContact CE1-CE1 4.13Å; Y752-I760 HydrophobicContact CD1-CD1 3.82Å; Y752-I760 HydrophobicContact CD2-CD1 4.04Å; Y752-I760 HydrophobicContact CE1-CD1 3.57Å; Y752-I760 HydrophobicContact CE2-CD1 3.79Å; Y752-I760 HydrophobicContact CG-CD1 4.02Å; Y752-L810 PolarHBondContact OH-O 2.9Å; Y752-I814 HydrophobicContact CE1-CD1 4.33Å
753P92.1Very high96.1Very high71 Ų7138.8 Ų38.846%0.46120%0.204SC..THydrogen-bonded Turntrans-58.1-30.5177.5-2735.9000114.1L748L748-P753 WeakPolarHBondContact O-CD 3.29Å; L748-P753 VanDerWaalsContact O-CG 3.29Å; L748-P753 WeakPolarHBondContact O-CG 3.41Å
754Q92.8Very high96.1Very high91 Ų9138.4 Ų38.443%0.42520%0.202SC..THydrogen-bonded Turntrans-102.111.6-179.7-60.2-177.83.400113.8T750 Y751 Y752 R756T750-Q754 VanDerWaalsContact O-CB 3.31Å; T750-Q754 WeakPolarHBondContact O-CB 3.24Å; T750-Q754 VanDerWaalsContact O-CG 3.32Å; T750-Q754 WeakPolarHBondContact O-CG 3.43Å; T750-Q754 PolarHBondContact O-N 3.17Å; Y751-Q754 CarbonylContact O-C 3.53Å; Y751-Q754 PolarHBondContact O-N 2.97Å; Y752-Q754 PolarHBondContact O-N 3.31Å; Q754-R756 HydrophobicContact CB-CG 4.08Å; Q754-R756 PolarHBondContact O-N 2.94Å; Q754-R756 VanDerWaalsContact O-N 3.11Å; Q754-R756 VanDerWaalsContact OE1-NE 3.17Å
755F95.9Very high96.2Very high10 Ų1040.5 Ų40.54%0.04421%0.213CC..THydrogen-bonded Turntrans56.924.8179.8-60.6-108.6000114.2L93 I454 L581 V611 L657 Y751 Y752 Y757L93-F755 HydrophobicContact CB-CE1 4.45Å; L93-F755 HydrophobicContact CD1-CZ 4.21Å; L93-F755 HydrophobicContact CD2-CE1 4.17Å; L93-F755 HydrophobicContact CD2-CZ 3.97Å; I454-F755 HydrophobicContact CD1-CE2 4.16Å; I454-F755 HydrophobicContact CG2-CD2 4.04Å; I454-F755 HydrophobicContact CG2-CE2 4.38Å; L581-F755 HydrophobicContact CD1-CE1 4.02Å; V611-F755 HydrophobicContact CB-CZ 4.28Å; V611-F755 HydrophobicContact CG1-CD1 3.97Å; V611-F755 HydrophobicContact CG1-CD2 4.34Å; V611-F755 HydrophobicContact CG1-CE1 3.71Å; V611-F755 HydrophobicContact CG1-CE2 4.1Å; V611-F755 HydrophobicContact CG1-CG 4.32Å; V611-F755 HydrophobicContact CG1-CZ 3.79Å; V611-F755 HydrophobicContact CG2-CE1 4.25Å; V611-F755 HydrophobicContact CG2-CE2 3.82Å; V611-F755 HydrophobicContact CG2-CZ 3.55Å; L657-F755 HydrophobicContact CD1-CB 3.52Å; L657-F755 HydrophobicContact CD1-CD1 4.47Å; L657-F755 HydrophobicContact CD1-CD2 4.1Å; L657-F755 HydrophobicContact CD1-CG 3.8Å; L657-F755 HydrophobicContact CD2-CB 4.24Å; L657-F755 HydrophobicContact CD2-CD1 4.39Å; L657-F755 HydrophobicContact CD2-CG 4.45Å; L657-F755 HydrophobicContact CG-CB 3.64Å; L657-F755 HydrophobicContact CG-CG 4.23Å; Y751-F755 CarbonylContact O-C 3.34Å; Y751-F755 PolarHBondContact O-N 3.01Å; Y752-F755 PolarHBondContact O-N 3.38Å; Y752-F755 VanDerWaalsContact O-N 3.12Å; F755-Y757 HydrophobicContact CB-CE1 4.41Å; F755-Y757 HydrophobicContact CB-CE2 4.33Å; F755-Y757 HydrophobicContact CD1-CE2 4.05Å; F755-Y757 AromaticContact CD1-CZ 3.66Å; F755-Y757 WeakPolarHBondContact CD1-OH 3.24Å; F755-Y757 WeakPolarHBondContact CE1-OH 3.44Å; F755-Y757 PolarHBondContact O-N 3.45Å
756R95.6Very high96.2Very high122 Ų12245.7 Ų45.746%0.4623%0.234SC..  trans-81.551.3177.8-63-173.2177.2-169.20.5111.8Y751 Q754 N758 T759 I760Y751-R756 HydrophobicContact CD1-CB 4.26Å; Y751-R756 PolarHBondContact O-N 2.89Å; Q754-R756 HydrophobicContact CB-CG 4.08Å; Q754-R756 PolarHBondContact O-N 2.94Å; Q754-R756 VanDerWaalsContact O-N 3.11Å; Q754-R756 VanDerWaalsContact OE1-NE 3.17Å; R756-N758 VanDerWaalsContact C-OD1 3.29Å; R756-N758 WeakPolarHBondContact CA-OD1 3.5Å; R756-N758 PolarHBondContact O-N 3.27Å; R756-N758 PolarHBondContact O-OD1 3.32Å; R756-T759 WeakPolarHBondContact O-CB 3.43Å; R756-T759 PolarHBondContact O-N 3.13Å; R756-I760 PolarHBondContact O-N 3.39Å
757Y97.2Very high96.2Very high0 Ų043.9 Ų43.90%022%0.223CC..Hα-helixtrans-64.1-28.8-178.8-43.3-42.9000111.9L89 V92 L96 C653 Y752 F755 T759 I760 L761L89-Y757 HydrophobicContact CD2-CD2 3.83Å; L89-Y757 HydrophobicContact CD2-CE2 3.55Å; V92-Y757 HydrophobicContact CB-CE2 4.38Å; V92-Y757 HydrophobicContact CG1-CD1 4.44Å; V92-Y757 HydrophobicContact CG1-CD2 4.48Å; V92-Y757 HydrophobicContact CG1-CE1 3.91Å; V92-Y757 HydrophobicContact CG1-CE2 3.91Å; L96-Y757 HydrophobicContact CD1-CE1 4.4Å; C653-Y757 HydrophobicContact CB-CD2 4.11Å; C653-Y757 HydrophobicContact CB-CG 4.37Å; C653-Y757 WeakPolarHBondContact O-CB 3.37Å; Y752-Y757 AromaticContact CD1-CD1 3.85Å; Y752-Y757 HydrophobicContact CD1-CD1 3.85Å; Y752-Y757 AromaticContact CD1-CE1 3.67Å; Y752-Y757 HydrophobicContact CD1-CE1 3.67Å; Y752-Y757 AromaticContact CE1-CD1 3.98Å; Y752-Y757 HydrophobicContact CE1-CD1 3.98Å; Y752-Y757 HydrophobicContact CE1-CE1 4.13Å; F755-Y757 HydrophobicContact CB-CE1 4.41Å; F755-Y757 HydrophobicContact CB-CE2 4.33Å; F755-Y757 HydrophobicContact CD1-CE2 4.05Å; F755-Y757 AromaticContact CD1-CZ 3.66Å; F755-Y757 WeakPolarHBondContact CD1-OH 3.24Å; F755-Y757 WeakPolarHBondContact CE1-OH 3.44Å; F755-Y757 PolarHBondContact O-N 3.45Å; Y757-T759 VanDerWaalsContact C-N 3.26Å; Y757-T759 PolarHBondContact O-N 3.48Å; Y757-I760 HydrophobicContact CD1-CD1 4.35Å; Y757-I760 PolarHBondContact O-N 2.9Å; Y757-L761 WeakPolarHBondContact O-CB 3.49Å; Y757-L761 VanDerWaalsContact O-CG 3.31Å; Y757-L761 WeakPolarHBondContact O-CG 3.32Å; Y757-L761 PolarHBondContact O-N 2.91Å
758N96.5Very high96.2Very high44 Ų4444.2 Ų44.224%0.23523%0.225CC..Hα-helixtrans-55.7-38.8170.867.1-25.6000113.1C653 Y654 R756 S762C653-N758 PolarHBondContact O-N 2.67Å; Y654-N758 HydrophobicContact CD2-CB 4.37Å; Y654-N758 WeakPolarHBondContact O-CB 3.46Å; R756-N758 VanDerWaalsContact C-OD1 3.29Å; R756-N758 WeakPolarHBondContact CA-OD1 3.5Å; R756-N758 PolarHBondContact O-N 3.27Å; R756-N758 PolarHBondContact O-OD1 3.32Å; N758-S762 WeakPolarHBondContact O-CB 3.38Å; N758-S762 PolarHBondContact O-N 3.24Å; N758-S762 PolarHBondContact O-OG 3.32Å
759T97.1Very high96.3Very high40 Ų4045.5 Ų45.525%0.24524%0.238CC..Hα-helixtrans-73.1-43.9180-51.30000110.1Y751 R756 Y757 L761 S762 E763Y751-T759 HydrophobicContact CD1-CG2 4.15Å; Y751-T759 HydrophobicContact CD2-CG2 4.3Å; Y751-T759 HydrophobicContact CE1-CG2 3.68Å; Y751-T759 HydrophobicContact CE2-CG2 3.81Å; Y751-T759 HydrophobicContact CG-CG2 4.45Å; Y751-T759 VanDerWaalsContact CZ-CG2 3.47Å; R756-T759 WeakPolarHBondContact O-CB 3.43Å; R756-T759 PolarHBondContact O-N 3.13Å; Y757-T759 VanDerWaalsContact C-N 3.26Å; Y757-T759 PolarHBondContact O-N 3.48Å; T759-L761 VanDerWaalsContact C-N 3.34Å; T759-L761 PolarHBondContact O-N 2.9Å; T759-S762 PolarHBondContact O-N 3.34Å; T759-E763 PolarHBondContact O-N 3.43Å
760I97.8Very high96.3Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-55.9-50.2173.5-62.4163.8000110.5Y751 Y752 R756 Y757 S762 E763 I764Y751-I760 VanDerWaalsContact CB-CG1 3.48Å; Y751-I760 HydrophobicContact CD2-CG1 3.63Å; Y751-I760 HydrophobicContact CG-CG1 3.99Å; Y752-I760 HydrophobicContact CD1-CD1 3.82Å; Y752-I760 HydrophobicContact CD2-CD1 4.04Å; Y752-I760 HydrophobicContact CE1-CD1 3.57Å; Y752-I760 HydrophobicContact CE2-CD1 3.79Å; Y752-I760 HydrophobicContact CG-CD1 4.02Å; R756-I760 PolarHBondContact O-N 3.39Å; Y757-I760 HydrophobicContact CD1-CD1 4.35Å; Y757-I760 PolarHBondContact O-N 2.9Å; I760-S762 VanDerWaalsContact C-N 3.33Å; I760-S762 PolarHBondContact O-N 3.27Å; I760-E763 PolarHBondContact O-N 3.16Å; I760-I764 HydrophobicContact CG2-CD1 3.82Å; I760-I764 WeakPolarHBondContact O-CB 3.44Å; I760-I764 WeakPolarHBondContact O-CG1 3.14Å; I760-I764 PolarHBondContact O-N 3.06Å
761L98.1Very high96.2Very high4 Ų439.7 Ų39.72%0.02120%0.203CC..Hα-helixtrans-61.9-40.8-179.9-73.2170.8000111.8R650 C653 Y654 Y757 T759 I764 D765 L811 I814R650-L761 HydrophobicContact CG-CD1 3.95Å; R650-L761 HydrophobicContact CG-CD2 4.15Å; C653-L761 HydrophobicContact CB-CD1 4.06Å; Y654-L761 HydrophobicContact CD2-CB 4.22Å; Y654-L761 HydrophobicContact CD2-CD1 4.23Å; Y757-L761 WeakPolarHBondContact O-CB 3.49Å; Y757-L761 VanDerWaalsContact O-CG 3.31Å; Y757-L761 WeakPolarHBondContact O-CG 3.32Å; Y757-L761 PolarHBondContact O-N 2.91Å; T759-L761 VanDerWaalsContact C-N 3.34Å; T759-L761 PolarHBondContact O-N 2.9Å; L761-I764 PolarHBondContact O-N 3.31Å; L761-D765 PolarHBondContact O-N 3.02Å; L761-L811 HydrophobicContact CD2-CD2 4.13Å; L761-I814 HydrophobicContact CD1-CG2 4.49Å; L761-I814 HydrophobicContact CD2-CG2 4.25Å
762S97.5Very high96.1Very high46 Ų4641.3 Ų41.332%0.32222%0.218SC..Hα-helixtrans-69.4-42.1179-57.30000112.4N758 T759 I760 I764 D765 Q766N758-S762 WeakPolarHBondContact O-CB 3.38Å; N758-S762 PolarHBondContact O-N 3.24Å; N758-S762 PolarHBondContact O-OG 3.32Å; T759-S762 PolarHBondContact O-N 3.34Å; I760-S762 VanDerWaalsContact C-N 3.33Å; I760-S762 PolarHBondContact O-N 3.27Å; S762-I764 VanDerWaalsContact C-N 3.33Å; S762-I764 PolarHBondContact O-N 2.64Å; S762-D765 PolarHBondContact O-N 3.26Å; S762-Q766 PolarHBondContact O-N 3.48Å
763E97.5Very high95.8Very high40 Ų4044 Ų4419%0.18724%0.239CC..Hα-helixtrans-63.9-39.2175.2-77.2-169.3-173.900111.6I743 Y751 T759 I760 Q766 F767I743-E763 HydrophobicContact CG1-CB 4.41Å; Y751-E763 WeakPolarHBondContact CE2-OE1 3.46Å; Y751-E763 VanDerWaalsContact CZ-OE1 3.31Å; Y751-E763 PolarHBondContact OH-OE1 3.37Å; T759-E763 PolarHBondContact O-N 3.43Å; I760-E763 PolarHBondContact O-N 3.16Å; E763-Q766 PolarHBondContact O-N 3.34Å; E763-F767 VanDerWaalsContact O-CB 3.28Å; E763-F767 WeakPolarHBondContact O-CB 3.36Å; E763-F767 PolarHBondContact O-N 2.87Å
764I98Very high95.7Very high3 Ų341.2 Ų41.22%0.01522%0.22CC..Hα-helixtrans-64.9-45.5174.1-72.3171.4000110.7L678 I743 I760 L761 S762 Q766 F767 L768 L807 L811L678-I764 HydrophobicContact CD1-CG2 4.43Å; I743-I764 HydrophobicContact CG2-CG1 4.37Å; I760-I764 HydrophobicContact CG2-CD1 3.82Å; I760-I764 WeakPolarHBondContact O-CB 3.44Å; I760-I764 WeakPolarHBondContact O-CG1 3.14Å; I760-I764 PolarHBondContact O-N 3.06Å; L761-I764 PolarHBondContact O-N 3.31Å; S762-I764 VanDerWaalsContact C-N 3.33Å; S762-I764 PolarHBondContact O-N 2.64Å; I764-Q766 VanDerWaalsContact C-N 3.28Å; I764-Q766 PolarHBondContact O-N 3.14Å; I764-F767 PolarHBondContact O-N 3.36Å; I764-L768 HydrophobicContact CG2-CD1 3.98Å; I764-L768 HydrophobicContact CG2-CG 4.21Å; I764-L768 WeakPolarHBondContact O-CB 3.46Å; I764-L768 WeakPolarHBondContact O-CG 2.99Å; I764-L768 PolarHBondContact O-N 2.87Å; I764-L807 HydrophobicContact CD1-CD2 4.46Å; I764-L807 HydrophobicContact CG1-CD2 4.42Å; I764-L807 HydrophobicContact CG2-CD2 4.21Å; I764-L811 HydrophobicContact CD1-CD1 4.04Å; I764-L811 HydrophobicContact CD1-CD2 3.47Å; I764-L811 VanDerWaalsContact CD1-CD2 3.47Å; I764-L811 HydrophobicContact CD1-CG 3.74Å; I764-L811 HydrophobicContact CG2-CD1 4.38Å
765D97.8Very high95.8Very high45 Ų4536.9 Ų36.924%0.24120%0.2CC..Hα-helixtrans-58-43176.8-66.8-25.1000111R650 L761 S762 L768 S769R650-D765 IonicContact CZ-OD2 3.2Å; R650-D765 IonicContact NH2-OD1 2.85Å; R650-D765 PolarHBondContact NH2-OD1 3.49Å; R650-D765 IonicContact NH2-OD2 3.97Å; R650-D765 PolarHBondContact NH2-OD2 3.37Å; L761-D765 PolarHBondContact O-N 3.02Å; S762-D765 PolarHBondContact O-N 3.26Å; D765-L768 PolarHBondContact O-N 3.1Å; D765-S769 PolarHBondContact O-N 2.61Å; D765-S769 VanDerWaalsContact O-N 3.09Å
766Q97Very high95.7Very high144 Ų14436.9 Ų36.967%0.67320%0.201SC*.Hα-helixtrans-65.5-44.7176.1-174.4177.45.200112S762 E763 I764 L768 S769 Y770S762-Q766 PolarHBondContact O-N 3.48Å; E763-Q766 PolarHBondContact O-N 3.34Å; I764-Q766 VanDerWaalsContact C-N 3.28Å; I764-Q766 PolarHBondContact O-N 3.14Å; Q766-L768 VanDerWaalsContact C-N 3.34Å; Q766-L768 PolarHBondContact O-N 2.83Å; Q766-S769 WeakPolarHBondContact O-CB 3.39Å; Q766-S769 PolarHBondContact O-N 3.46Å; Q766-Y770 PolarHBondContact O-N 3.11Å
767F97.4Very high95.3Very high10 Ų1033 Ų334%0.04419%0.191CC..Hα-helixtrans-59.9-43.4176.3168.6-104000111.6V736 L740 I743 E763 I764 S769 Y770 L771 T803V736-F767 HydrophobicContact CG1-CE2 4.09Å; V736-F767 HydrophobicContact CG1-CZ 3.96Å; L740-F767 HydrophobicContact CD1-CZ 4.3Å; L740-F767 HydrophobicContact CD2-CD1 4.35Å; L740-F767 HydrophobicContact CD2-CE1 3.67Å; L740-F767 HydrophobicContact CD2-CE2 4.09Å; L740-F767 HydrophobicContact CD2-CZ 3.52Å; L740-F767 HydrophobicContact CG-CE1 4.42Å; L740-F767 HydrophobicContact CG-CE2 4.07Å; L740-F767 HydrophobicContact CG-CZ 3.76Å; I743-F767 HydrophobicContact CD1-CB 3.69Å; I743-F767 HydrophobicContact CD1-CD2 4.22Å; I743-F767 HydrophobicContact CD1-CG 3.9Å; E763-F767 VanDerWaalsContact O-CB 3.28Å; E763-F767 WeakPolarHBondContact O-CB 3.36Å; E763-F767 PolarHBondContact O-N 2.87Å; I764-F767 PolarHBondContact O-N 3.36Å; F767-S769 VanDerWaalsContact C-N 3.31Å; F767-S769 PolarHBondContact O-N 2.82Å; F767-Y770 WeakPolarHBondContact O-CB 3.46Å; F767-Y770 PolarHBondContact O-N 2.94Å; F767-L771 HydrophobicContact CE1-CD2 4.19Å; F767-L771 HydrophobicContact CZ-CB 4.47Å; F767-L771 HydrophobicContact CZ-CD1 4.11Å; F767-L771 HydrophobicContact CZ-CD2 4.38Å; F767-L771 VanDerWaalsContact O-CB 3.25Å; F767-L771 WeakPolarHBondContact O-CB 3.28Å; F767-L771 PolarHBondContact O-N 2.95Å; F767-T803 HydrophobicContact CE1-CG2 3.92Å; F767-T803 HydrophobicContact CZ-CG2 4.01Å
768L96.9Very high95Very high8 Ų833.3 Ų33.34%0.04219%0.193CC..Hα-helixtrans-65.3-36177.7-68.2175.3000112.2L678 I764 D765 Q766 L771 S772 L807L678-L768 HydrophobicContact CB-CD1 3.86Å; L678-L768 HydrophobicContact CD1-CD1 3.72Å; L678-L768 HydrophobicContact CG-CD1 4.41Å; I764-L768 HydrophobicContact CG2-CD1 3.98Å; I764-L768 HydrophobicContact CG2-CG 4.21Å; I764-L768 WeakPolarHBondContact O-CB 3.46Å; I764-L768 WeakPolarHBondContact O-CG 2.99Å; I764-L768 PolarHBondContact O-N 2.87Å; D765-L768 PolarHBondContact O-N 3.1Å; Q766-L768 VanDerWaalsContact C-N 3.34Å; Q766-L768 PolarHBondContact O-N 2.83Å; L768-L771 HydrophobicContact CD2-CD2 4.39Å; L768-S772 VanDerWaalsContact O-CB 3.29Å; L768-S772 WeakPolarHBondContact O-CB 3.24Å; L768-S772 PolarHBondContact O-N 3.09Å; L768-L807 HydrophobicContact CD2-CD1 4.21Å
769S95.3Very high94.8Very high76 Ų7631.2 Ų31.253%0.53118%0.182SC..Hα-helixtrans-62.6-46.6172.5-172.10000111.4D765 Q766 F767 S772 S773D765-S769 PolarHBondContact O-N 2.61Å; D765-S769 VanDerWaalsContact O-N 3.09Å; Q766-S769 WeakPolarHBondContact O-CB 3.39Å; Q766-S769 PolarHBondContact O-N 3.46Å; F767-S769 VanDerWaalsContact C-N 3.31Å; F767-S769 PolarHBondContact O-N 2.82Å; S769-S772 PolarHBondContact O-N 3.47Å; S769-S773 WeakPolarHBondContact O-CB 3.4Å; S769-S773 PolarHBondContact O-N 2.86Å; S769-S773 PolarHBondContact O-OG 3.3Å
770Y93.4Very high94.5Very high38 Ų3833.3 Ų33.315%0.14919%0.187CC..Hα-helixtrans-61.8-48.1174.6169.7-102.7000112.2Q766 F767 S772 S773 V774 V887 N888Q766-Y770 PolarHBondContact O-N 3.11Å; F767-Y770 WeakPolarHBondContact O-CB 3.46Å; F767-Y770 PolarHBondContact O-N 2.94Å; Y770-S772 VanDerWaalsContact C-N 3.28Å; Y770-S772 PolarHBondContact O-N 2.76Å; Y770-S773 PolarHBondContact O-N 3.35Å; Y770-S773 PolarHBondContact O-OG 3.23Å; Y770-V774 HydrophobicContact CD2-CB 4.08Å; Y770-V774 HydrophobicContact CD2-CG2 3.74Å; Y770-V774 HydrophobicContact CE2-CB 3.84Å; Y770-V774 HydrophobicContact CE2-CG1 4.02Å; Y770-V774 HydrophobicContact CE2-CG2 3.76Å; Y770-V774 WeakPolarHBondContact O-CB 3.01Å; Y770-V774 PolarHBondContact O-N 3.07Å; Y770-V887 WeakPolarHBondContact OH-CG1 3.34Å; Y770-N888 WeakPolarHBondContact CE2-OD1 3.41Å
771L94.8Very high94Very high0 Ų034.3 Ų34.30%019%0.192CC..Iπ-helixtrans-56.8-42.8178.1-173.874.6000111M685 V736 F767 L768 Y775 I776 T803M685-L771 HydrophobicContact CE-CD2 4.4Å; M685-L771 HydrophobicContact SD-CD2 3.92Å; V736-L771 HydrophobicContact CG1-CD1 3.89Å; V736-L771 HydrophobicContact CG2-CD1 4.08Å; F767-L771 HydrophobicContact CE1-CD2 4.19Å; F767-L771 HydrophobicContact CZ-CB 4.47Å; F767-L771 HydrophobicContact CZ-CD1 4.11Å; F767-L771 HydrophobicContact CZ-CD2 4.38Å; F767-L771 VanDerWaalsContact O-CB 3.25Å; F767-L771 WeakPolarHBondContact O-CB 3.28Å; F767-L771 PolarHBondContact O-N 2.95Å; L768-L771 HydrophobicContact CD2-CD2 4.39Å; L771-Y775 HydrophobicContact CD1-CD1 3.59Å; L771-Y775 HydrophobicContact CD1-CE1 4.39Å; L771-Y775 HydrophobicContact CD1-CG 4.21Å; L771-Y775 PolarHBondContact O-N 3.1Å; L771-I776 HydrophobicContact CD2-CD1 4.21Å; L771-I776 HydrophobicContact CG-CD1 4.01Å; L771-I776 HydrophobicContact CG-CG1 4.24Å; L771-I776 WeakPolarHBondContact O-CB 3.35Å; L771-I776 WeakPolarHBondContact O-CG1 3.47Å; L771-I776 PolarHBondContact O-N 3.48Å; L771-T803 HydrophobicContact CD2-CG2 4.37Å
772S92.8Very high93.6Very high60 Ų6034.1 Ų34.142%0.4219%0.192SC..Iπ-helixtrans-70-51.2178.7-1760000112.6L768 S769 Y770 T777L768-S772 VanDerWaalsContact O-CB 3.29Å; L768-S772 WeakPolarHBondContact O-CB 3.24Å; L768-S772 PolarHBondContact O-N 3.09Å; S769-S772 PolarHBondContact O-N 3.47Å; Y770-S772 VanDerWaalsContact C-N 3.28Å; Y770-S772 PolarHBondContact O-N 2.76Å; S772-T777 PolarHBondContact O-N 3.07Å; S772-T777 PolarHBondContact O-OG1 2.97Å
773S89.7Confident93.4Very high71 Ų7132 Ų3250%0.49718%0.176SC..Iπ-helixtrans-74.6-36.8-171.256.40000113.6S769 Y770 T777S769-S773 WeakPolarHBondContact O-CB 3.4Å; S769-S773 PolarHBondContact O-N 2.86Å; S769-S773 PolarHBondContact O-OG 3.3Å; Y770-S773 PolarHBondContact O-N 3.35Å; Y770-S773 PolarHBondContact O-OG 3.23Å; S773-T777 WeakPolarHBondContact O-CB 3.35Å
774V90.7Very high93.2Very high13 Ų1331.8 Ų31.88%0.07917%0.174CC..Iπ-helixtrans-102.1-64.5-176.5-177.50000110.4Y770 S778 V887Y770-V774 HydrophobicContact CD2-CB 4.08Å; Y770-V774 HydrophobicContact CD2-CG2 3.74Å; Y770-V774 HydrophobicContact CE2-CB 3.84Å; Y770-V774 HydrophobicContact CE2-CG1 4.02Å; Y770-V774 HydrophobicContact CE2-CG2 3.76Å; Y770-V774 WeakPolarHBondContact O-CB 3.01Å; Y770-V774 PolarHBondContact O-N 3.07Å; V774-S778 VanDerWaalsContact O-CB 3.31Å; V774-S778 WeakPolarHBondContact O-CB 3.48Å; V774-S778 PolarHBondContact O-N 3.34Å; V774-S778 VanDerWaalsContact O-N 3.13Å; V774-S778 PolarHBondContact O-OG 3.43Å; V774-V887 HydrophobicContact CG1-CG1 3.9Å
775Y94.2Very high92.8Very high1 Ų132.8 Ų32.80%0.00418%0.179CC..Iπ-helixtrans-71.9-61.5-167.8-177.2-110.3000112.9L732 D733 V736 L771 T777 S778 V779 T796 V799 F800L732-Y775 HydrophobicContact CB-CD2 4.09Å; L732-Y775 HydrophobicContact CB-CE2 4.03Å; L732-Y775 HydrophobicContact CD2-CD2 4.48Å; D733-Y775 WeakPolarHBondContact OD1-CE2 3.4Å; D733-Y775 PolarHBondContact OD1-OH 3.16Å; V736-Y775 HydrophobicContact CG2-CD1 3.8Å; V736-Y775 HydrophobicContact CG2-CD2 3.49Å; V736-Y775 VanDerWaalsContact CG2-CD2 3.49Å; V736-Y775 HydrophobicContact CG2-CE1 4.16Å; V736-Y775 HydrophobicContact CG2-CE2 3.92Å; V736-Y775 HydrophobicContact CG2-CG 3.43Å; V736-Y775 VanDerWaalsContact CG2-CG 3.43Å; L771-Y775 HydrophobicContact CD1-CD1 3.59Å; L771-Y775 HydrophobicContact CD1-CE1 4.39Å; L771-Y775 HydrophobicContact CD1-CG 4.21Å; L771-Y775 PolarHBondContact O-N 3.1Å; Y775-T777 PolarHBondContact O-N 3.45Å; Y775-S778 WeakPolarHBondContact O-CB 3.49Å; Y775-S778 PolarHBondContact O-N 3.45Å; Y775-V779 HydrophobicContact CD1-CG2 4.37Å; Y775-V779 HydrophobicContact CD2-CG1 3.94Å; Y775-V779 HydrophobicContact CE1-CG2 4.24Å; Y775-V779 HydrophobicContact CE2-CG1 3.66Å; Y775-V779 HydrophobicContact CG-CG1 4.47Å; Y775-V779 WeakPolarHBondContact O-CG1 3.36Å; Y775-V779 WeakPolarHBondContact O-CG2 3.41Å; Y775-V779 PolarHBondContact O-N 3.41Å; Y775-T796 HydrophobicContact CE1-CG2 4.5Å; Y775-V799 HydrophobicContact CE1-CG1 3.99Å; Y775-V799 WeakPolarHBondContact OH-CB 3.29Å; Y775-V799 WeakPolarHBondContact OH-CG1 3.37Å; Y775-F800 HydrophobicContact CD1-CE1 4.05Å; Y775-F800 HydrophobicContact CE1-CD1 4.04Å; Y775-F800 AromaticContact CE1-CE1 3.58Å; Y775-F800 HydrophobicContact CE1-CE1 3.58Å
776I93.8Very high92.4Very high9 Ų931.1 Ų31.15%0.04617%0.17CC..Iπ-helixtrans-56.1-41.2-179.4-73.3172.3000110.8F684 L771 S778 K780 F800F684-I776 HydrophobicContact CD1-CD1 3.86Å; F684-I776 HydrophobicContact CD1-CG1 4.36Å; F684-I776 HydrophobicContact CD1-CG2 4.2Å; F684-I776 HydrophobicContact CE1-CB 4.45Å; F684-I776 HydrophobicContact CE1-CD1 4.13Å; F684-I776 HydrophobicContact CE1-CG1 4.14Å; F684-I776 HydrophobicContact CE1-CG2 3.52Å; F684-I776 HydrophobicContact CZ-CG2 3.75Å; L771-I776 HydrophobicContact CD2-CD1 4.21Å; L771-I776 HydrophobicContact CG-CD1 4.01Å; L771-I776 HydrophobicContact CG-CG1 4.24Å; L771-I776 WeakPolarHBondContact O-CB 3.35Å; L771-I776 WeakPolarHBondContact O-CG1 3.47Å; L771-I776 PolarHBondContact O-N 3.48Å; I776-S778 VanDerWaalsContact C-N 3.32Å; I776-S778 PolarHBondContact O-N 3.08Å; I776-K780 HydrophobicContact CG2-CG 4.48Å; I776-K780 VanDerWaalsContact O-CG 3.24Å; I776-K780 WeakPolarHBondContact O-CG 3.37Å; I776-K780 PolarHBondContact O-N 3.03Å; I776-K780 VanDerWaalsContact O-N 3.12Å; I776-F800 HydrophobicContact CG1-CE1 4.1Å; I776-F800 HydrophobicContact CG1-CZ 4.08Å
777T89Confident92.2Very high42 Ų4226.3 Ų26.326%0.25815%0.152SC..Hα-helixtrans-64.2-37.2178.5-65.80000112.1S772 S773 Y775S772-T777 PolarHBondContact O-N 3.07Å; S772-T777 PolarHBondContact O-OG1 2.97Å; S773-T777 WeakPolarHBondContact O-CB 3.35Å; Y775-T777 PolarHBondContact O-N 3.45Å
778S90.2Very high91.8Very high6 Ų628.4 Ų28.44%0.04217%0.166CC..Hα-helixtrans-73.7-43.9177.6-57.80000112.4V774 Y775 I776V774-S778 VanDerWaalsContact O-CB 3.31Å; V774-S778 WeakPolarHBondContact O-CB 3.48Å; V774-S778 PolarHBondContact O-N 3.34Å; V774-S778 VanDerWaalsContact O-N 3.13Å; V774-S778 PolarHBondContact O-OG 3.43Å; Y775-S778 WeakPolarHBondContact O-CB 3.49Å; Y775-S778 PolarHBondContact O-N 3.45Å; I776-S778 VanDerWaalsContact C-N 3.32Å; I776-S778 PolarHBondContact O-N 3.08Å
779V92.1Very high91.4Very high0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-85.9-9.9-171.7-540000114.4L732 Y775 D781 R782 L783 T796 F800L732-V779 HydrophobicContact CD1-CG1 4.37Å; Y775-V779 HydrophobicContact CD1-CG2 4.37Å; Y775-V779 HydrophobicContact CD2-CG1 3.94Å; Y775-V779 HydrophobicContact CE1-CG2 4.24Å; Y775-V779 HydrophobicContact CE2-CG1 3.66Å; Y775-V779 HydrophobicContact CG-CG1 4.47Å; Y775-V779 WeakPolarHBondContact O-CG1 3.36Å; Y775-V779 WeakPolarHBondContact O-CG2 3.41Å; Y775-V779 PolarHBondContact O-N 3.41Å; V779-D781 PolarHBondContact O-N 3.44Å; V779-D781 VanDerWaalsContact O-N 3.14Å; V779-R782 HydrophobicContact CB-CG 4.23Å; V779-R782 VanDerWaalsContact CG1-NH2 3.34Å; V779-R782 VanDerWaalsContact O-CG 3.27Å; V779-R782 WeakPolarHBondContact O-CG 3.25Å; V779-R782 PolarHBondContact O-N 2.82Å; V779-L783 HydrophobicContact CG2-CD1 3.86Å; V779-L783 HydrophobicContact CG2-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.33Å; V779-L783 WeakPolarHBondContact O-CG 3.42Å; V779-L783 PolarHBondContact O-N 2.89Å; V779-T796 HydrophobicContact CB-CG2 3.91Å; V779-T796 HydrophobicContact CG1-CG2 4.44Å; V779-T796 HydrophobicContact CG2-CG2 3.62Å; V779-F800 HydrophobicContact CG2-CZ 4.31Å
780K90.8Very high91.1Very high83 Ų8332.3 Ų32.336%0.36118%0.182SC..Hα-helixtrans-50.5-38.2174.4-94.7169.7-177.8171.90112.8F684 I776 L783 Y784F684-K780 HydrophobicContact CZ-CG 4.49Å; I776-K780 HydrophobicContact CG2-CG 4.48Å; I776-K780 VanDerWaalsContact O-CG 3.24Å; I776-K780 WeakPolarHBondContact O-CG 3.37Å; I776-K780 PolarHBondContact O-N 3.03Å; I776-K780 VanDerWaalsContact O-N 3.12Å; K780-L783 PolarHBondContact O-N 2.62Å; K780-Y784 HydrophobicContact CB-CD2 4.44Å; K780-Y784 HydrophobicContact CB-CE2 4.24Å; K780-Y784 HydrophobicContact CD-CE2 4.35Å; K780-Y784 HydrophobicContact CG-CE2 3.83Å; K780-Y784 WeakPolarHBondContact O-CB 3.43Å; K780-Y784 PolarHBondContact O-N 2.84Å
781D88Confident90.8Very high21 Ų2134.5 Ų34.511%0.11220%0.202CC..Hα-helixtrans-62.3-50.5-179-178.6110.8000111.6V779 F785 Y951 R1003 R1016V779-D781 PolarHBondContact O-N 3.44Å; V779-D781 VanDerWaalsContact O-N 3.14Å; D781-F785 HydrophobicContact CB-CD2 4.28Å; D781-F785 VanDerWaalsContact O-CB 3.28Å; D781-F785 WeakPolarHBondContact O-CB 3.47Å; D781-F785 WeakPolarHBondContact O-CD2 3.1Å; D781-F785 PolarHBondContact O-N 2.75Å; D781-Y951 HydrophobicContact CB-CD1 4.19Å; D781-Y951 HydrophobicContact CB-CE1 4.11Å; D781-Y951 WeakPolarHBondContact OD2-CE1 3.28Å; D781-R1003 IonicContact OD1-CZ 3.7Å; D781-R1003 IonicContact OD1-NE 2.65Å; D781-R1003 PolarHBondContact OD1-NE 3.31Å; D781-R1003 IonicContact OD1-NH2 2.64Å; D781-R1003 PolarHBondContact OD1-NH2 3.03Å; D781-R1003 IonicContact OD2-CZ 2.82Å; D781-R1003 IonicContact OD2-NE 3.45Å; D781-R1003 IonicContact OD2-NH2 3.95Å; D781-R1003 PolarHBondContact OD2-NH2 2.91Å; D781-R1016 PolarHBondContact O-NH2 2.86Å; D781-R1016 IonicContact OD2-CZ 2.73Å; D781-R1016 IonicContact OD2-NH1 3.87Å; D781-R1016 PolarHBondContact OD2-NH1 3.03Å; D781-R1016 IonicContact OD2-NH2 3.76Å; D781-R1016 PolarHBondContact OD2-NH2 2.71Å
782R89.7Confident90.5Very high1 Ų135.6 Ų35.60%0.00421%0.21CC..Hα-helixtrans-71.6-32176.164.4-176.7-170-170.410.1113T730 D733 V779 N786 T796 D948T730-R782 PolarHBondContact OG1-NH1 2.97Å; D733-R782 IonicContact OD1-CZ 3.96Å; D733-R782 IonicContact OD1-NH1 3.18Å; D733-R782 IonicContact OD1-NH2 2.82Å; D733-R782 PolarHBondContact OD1-NH2 3.18Å; D733-R782 IonicContact OD2-NH1 3.9Å; D733-R782 IonicContact OD2-NH2 2.77Å; V779-R782 HydrophobicContact CB-CG 4.23Å; V779-R782 VanDerWaalsContact CG1-NH2 3.34Å; V779-R782 VanDerWaalsContact O-CG 3.27Å; V779-R782 WeakPolarHBondContact O-CG 3.25Å; V779-R782 PolarHBondContact O-N 2.82Å; R782-N786 VanDerWaalsContact O-CB 3.3Å; R782-N786 WeakPolarHBondContact O-CB 3.47Å; R782-N786 PolarHBondContact O-N 3.11Å; R782-T796 PolarHBondContact NE-OG1 2.93Å; R782-T796 PolarHBondContact NH2-OG1 3.28Å; R782-D948 IonicContact NH1-OD1 3.06Å
783L92.6Very high90.5Very high0 Ų032.8 Ų32.80%019%0.19CC..Hα-helixtrans-63-46.6176-78.5170.8000112.7N28 V779 K780 R793 T796 Q797 F800N28-L783 WeakPolarHBondContact CB-O 3.48Å; V779-L783 HydrophobicContact CG2-CD1 3.86Å; V779-L783 HydrophobicContact CG2-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.33Å; V779-L783 WeakPolarHBondContact O-CG 3.42Å; V779-L783 PolarHBondContact O-N 2.89Å; K780-L783 PolarHBondContact O-N 2.62Å; L783-R793 PolarHBondContact O-NE 3.01Å; L783-T796 HydrophobicContact CD1-CG2 3.95Å; L783-T796 HydrophobicContact CD2-CG2 3.69Å; L783-T796 HydrophobicContact CG-CG2 3.83Å; L783-Q797 HydrophobicContact CD2-CG 4.4Å; L783-F800 HydrophobicContact CD1-CE2 3.56Å; L783-F800 HydrophobicContact CD1-CZ 3.71Å; L783-F800 HydrophobicContact CD2-CE2 4.31Å
784Y92.8Very high90.6Very high37 Ų3730.9 Ų30.915%0.14517%0.172CC..Hα-helixtrans-91.6-32.3-170.8-60.4-15.5000113.4N28 P30 F684 K780N28-Y784 PolarHBondContact N-O 2.97Å; N28-Y784 WeakPolarHBondContact O-CD1 3.43Å; P30-Y784 HydrophobicContact CG-CE1 3.89Å; F684-Y784 VanDerWaalsContact CE2-OH 3.22Å; F684-Y784 WeakPolarHBondContact CE2-OH 3.42Å; F684-Y784 VanDerWaalsContact CZ-OH 3.28Å; F684-Y784 WeakPolarHBondContact CZ-OH 3.5Å; K780-Y784 HydrophobicContact CB-CD2 4.44Å; K780-Y784 HydrophobicContact CB-CE2 4.24Å; K780-Y784 HydrophobicContact CD-CE2 4.35Å; K780-Y784 HydrophobicContact CG-CE2 3.83Å; K780-Y784 WeakPolarHBondContact O-CB 3.43Å; K780-Y784 PolarHBondContact O-N 2.84Å
785F90.6Very high90.5Very high24 Ų2430.7 Ų30.711%0.10517%0.171CC..Hα-helixtrans-106.3-18.5-169.6-51.1-58.1000114.5L27 D781 R1000 C1001L27-F785 HydrophobicContact CD1-CE1 4.16Å; L27-F785 HydrophobicContact CD2-CD1 3.46Å; L27-F785 VanDerWaalsContact CD2-CD1 3.46Å; L27-F785 HydrophobicContact CD2-CE1 3.56Å; L27-F785 HydrophobicContact CG-CE1 4.49Å; D781-F785 HydrophobicContact CB-CD2 4.28Å; D781-F785 VanDerWaalsContact O-CB 3.28Å; D781-F785 WeakPolarHBondContact O-CB 3.47Å; D781-F785 WeakPolarHBondContact O-CD2 3.1Å; D781-F785 PolarHBondContact O-N 2.75Å; F785-R1000 HydrophobicContact CD1-CG 4.43Å; F785-R1000 WeakPolarHBondContact CE1-O 3.37Å; F785-R1000 PolarHBondContact O-NH1 3.26Å; F785-R1000 PolarHBondContact O-NH2 3.24Å; F785-R1000 VanDerWaalsContact O-NH2 3.11Å; F785-C1001 HydrophobicContact CB-CB 4.13Å; F785-C1001 HydrophobicContact CD1-CB 3.96Å; F785-C1001 HydrophobicContact CD2-CB 3.68Å; F785-C1001 HydrophobicContact CE1-CB 4.33Å; F785-C1001 HydrophobicContact CE2-CB 4.07Å; F785-C1001 HydrophobicContact CG-CB 3.66Å; F785-C1001 HydrophobicContact CZ-CB 4.39Å
786N90Very high90.5Very high10 Ų1030.7 Ų30.75%0.05317%0.171CC..SBendtrans-74.2166.4173.2-71.5-1.9000112N28 R782 D790 S792 R793 R1016N28-N786 PolarHBondContact ND2-O 2.95Å; R782-N786 VanDerWaalsContact O-CB 3.3Å; R782-N786 WeakPolarHBondContact O-CB 3.47Å; R782-N786 PolarHBondContact O-N 3.11Å; N786-D790 HydrophobicContact CB-CB 3.61Å; N786-D790 PolarHBondContact ND2-OD1 3.25Å; N786-S792 PolarHBondContact ND2-OG 3.45Å; N786-R793 HydrophobicContact CB-CB 4.48Å; N786-R1016 PolarHBondContact OD1-NE 2.99Å; N786-R1016 PolarHBondContact OD1-NH2 2.89Å
787S90.8Very high90.5Very high43 Ų4330.2 Ų30.230%0.30117%0.168SC..  trans-61.5154.7170.9590000110.3D789 D790 R793S787-D789 PolarHBondContact O-N 2.85Å; S787-D790 WeakPolarHBondContact O-CB 3.2Å; S787-D790 PolarHBondContact O-N 3.42Å; S787-D790 PolarHBondContact OG-N 2.71Å; S787-R793 WeakPolarHBondContact O-CD 3.26Å
788P89.9Confident90.8Very high53 Ų5328.2 Ų28.234%0.34416%0.156SC..THydrogen-bonded Turntrans-52.6-39.7178.9-29.436.8000113.6R793 R794P788-R793 PolarHBondContact O-NH1 2.82Å; P788-R794 PolarHBondContact O-NE 2.94Å; P788-R794 PolarHBondContact O-NH2 3.42Å
789D88.3Confident91Very high122 Ų12228 Ų2865%0.65215%0.154SC*.THydrogen-bonded Turntrans-94.98.3-176.4-55.9-49.8000114.7S787 S791 R794S787-D789 PolarHBondContact O-N 2.85Å; D789-S791 PolarHBondContact O-N 3.46Å; D789-R794 IonicContact OD1-CZ 3.64Å; D789-R794 IonicContact OD1-NE 3.21Å; D789-R794 IonicContact OD1-NH2 2.73Å; D789-R794 PolarHBondContact OD1-NH2 3.01Å
790D89.3Confident91.2Very high45 Ų4528 Ų2824%0.24115%0.154CC..  trans-58.6131.3176.2176.7-97.3000111.7N786 S787 S792 R793 R794N786-D790 HydrophobicContact CB-CB 3.61Å; N786-D790 PolarHBondContact ND2-OD1 3.25Å; S787-D790 WeakPolarHBondContact O-CB 3.2Å; S787-D790 PolarHBondContact O-N 3.42Å; S787-D790 PolarHBondContact OG-N 2.71Å; D790-S792 VanDerWaalsContact C-N 3.31Å; D790-S792 PolarHBondContact O-N 2.84Å; D790-S792 WeakPolarHBondContact OD1-CA 3.39Å; D790-S792 WeakPolarHBondContact OD1-CB 3.36Å; D790-S792 PolarHBondContact OD1-N 3.4Å; D790-S792 PolarHBondContact OD1-OG 2.93Å; D790-R793 HydrophobicContact CB-CB 4.1Å; D790-R793 WeakPolarHBondContact O-CB 3.27Å; D790-R793 PolarHBondContact O-N 3.49Å; D790-R793 PolarHBondContact OD1-N 3.25Å; D790-R794 WeakPolarHBondContact O-CG 3.47Å; D790-R794 PolarHBondContact O-N 2.92Å
791S87.4Confident91.4Very high84 Ų8424.2 Ų24.259%0.58714%0.138SC*.Hα-helixtrans-59.3-39.5-175.259.80000112.7D789 R793 R794 N795D789-S791 PolarHBondContact O-N 3.46Å; S791-R793 VanDerWaalsContact C-N 3.34Å; S791-R793 PolarHBondContact O-N 3.31Å; S791-R794 PolarHBondContact O-N 2.67Å; S791-N795 WeakPolarHBondContact O-CB 3.41Å; S791-N795 PolarHBondContact O-N 2.99Å; S791-N795 PolarHBondContact O-ND2 3.14Å; S791-N795 PolarHBondContact O-OD1 3.13Å
792S88Confident91.7Very high23 Ų2323.2 Ų23.216%0.16113%0.132CC..Hα-helixtrans-69.8-33178.779.70000112.3N786 D790 T796N786-S792 PolarHBondContact ND2-OG 3.45Å; D790-S792 VanDerWaalsContact C-N 3.31Å; D790-S792 PolarHBondContact O-N 2.84Å; D790-S792 WeakPolarHBondContact OD1-CA 3.39Å; D790-S792 WeakPolarHBondContact OD1-CB 3.36Å; D790-S792 PolarHBondContact OD1-N 3.4Å; D790-S792 PolarHBondContact OD1-OG 2.93Å; S792-T796 PolarHBondContact O-N 2.97Å; S792-T796 PolarHBondContact O-OG1 2.92Å
793R92.1Very high92.1Very high1 Ų123.2 Ų23.20%0.00413%0.132CC..Hα-helixtrans-65.1-49.2170.6-179.7176.6-179.5-89.9-3.6110.5N28 D691 L783 N786 S787 P788 D790 S791 N795 T796 Q797N28-R793 PolarHBondContact ND2-NE 3.25Å; D691-R793 VanDerWaalsContact CG-NH2 3.29Å; D691-R793 IonicContact OD1-CZ 2.78Å; D691-R793 IonicContact OD1-NH1 3.86Å; D691-R793 PolarHBondContact OD1-NH1 3.23Å; D691-R793 IonicContact OD1-NH2 3.78Å; D691-R793 PolarHBondContact OD1-NH2 3.13Å; D691-R793 IonicContact OD2-CZ 2.75Å; D691-R793 VanDerWaalsContact OD2-CZ 3.24Å; D691-R793 IonicContact OD2-NH1 3.47Å; D691-R793 PolarHBondContact OD2-NH1 3.06Å; D691-R793 IonicContact OD2-NH2 3.15Å; D691-R793 PolarHBondContact OD2-NH2 3.12Å; L783-R793 PolarHBondContact O-NE 3.01Å; N786-R793 HydrophobicContact CB-CB 4.48Å; S787-R793 WeakPolarHBondContact O-CD 3.26Å; P788-R793 PolarHBondContact O-NH1 2.82Å; D790-R793 HydrophobicContact CB-CB 4.1Å; D790-R793 WeakPolarHBondContact O-CB 3.27Å; D790-R793 PolarHBondContact O-N 3.49Å; D790-R793 PolarHBondContact OD1-N 3.25Å; S791-R793 VanDerWaalsContact C-N 3.34Å; S791-R793 PolarHBondContact O-N 3.31Å; R793-N795 PolarHBondContact O-N 3.22Å; R793-T796 WeakPolarHBondContact O-CB 3.31Å; R793-T796 PolarHBondContact O-N 3.47Å; R793-T796 VanDerWaalsContact O-N 3.12Å; R793-Q797 PolarHBondContact O-N 3.27Å
794R91.7Very high92.3Very high31 Ų3123.2 Ų23.212%0.11713%0.132CC..Hα-helixtrans-59.9-42.4178.2-64.7-52.8-175.4-174.84.3112.3D691 P788 D789 D790 S791 T796 Q797 T798D691-R794 PolarHBondContact O-NH1 2.93Å; D691-R794 IonicContact OD1-NH1 3.91Å; D691-R794 IonicContact OD2-NH1 3.95Å; P788-R794 PolarHBondContact O-NE 2.94Å; P788-R794 PolarHBondContact O-NH2 3.42Å; D789-R794 IonicContact OD1-CZ 3.64Å; D789-R794 IonicContact OD1-NE 3.21Å; D789-R794 IonicContact OD1-NH2 2.73Å; D789-R794 PolarHBondContact OD1-NH2 3.01Å; D790-R794 WeakPolarHBondContact O-CG 3.47Å; D790-R794 PolarHBondContact O-N 2.92Å; S791-R794 PolarHBondContact O-N 2.67Å; R794-T796 VanDerWaalsContact C-N 3.31Å; R794-T796 PolarHBondContact O-N 2.98Å; R794-Q797 VanDerWaalsContact CD-OE1 3.31Å; R794-Q797 WeakPolarHBondContact O-CB 3.2Å; R794-Q797 PolarHBondContact O-N 3.16Å; R794-Q797 VanDerWaalsContact O-N 3.1Å; R794-T798 PolarHBondContact O-N 2.77Å; R794-T798 PolarHBondContact O-OG1 3.46Å
795N90.4Very high92.4Very high9 Ų921.4 Ų21.45%0.04813%0.125CC..Hα-helixtrans-58.4-41.7174-68.3-10.7000112.2C728 L729 S791 R793 Q797 T798 V799C728-N795 PolarHBondContact O-ND2 3.39Å; L729-N795 HydrophobicContact CD2-CB 3.82Å; S791-N795 WeakPolarHBondContact O-CB 3.41Å; S791-N795 PolarHBondContact O-N 2.99Å; S791-N795 PolarHBondContact O-ND2 3.14Å; S791-N795 PolarHBondContact O-OD1 3.13Å; R793-N795 PolarHBondContact O-N 3.22Å; N795-Q797 VanDerWaalsContact C-N 3.35Å; N795-Q797 PolarHBondContact O-N 3.17Å; N795-T798 WeakPolarHBondContact O-CB 3.33Å; N795-T798 PolarHBondContact O-N 2.91Å; N795-V799 WeakPolarHBondContact O-CG2 3.29Å; N795-V799 PolarHBondContact O-N 3.21Å
796T93.5Very high92.7Very high0 Ų020.3 Ų20.30%012%0.12CC..Hα-helixtrans-62.6-43.6175.5-48.60000111.6Y775 V779 R782 L783 S792 R793 R794 T798 V799 F800Y775-T796 HydrophobicContact CE1-CG2 4.5Å; V779-T796 HydrophobicContact CB-CG2 3.91Å; V779-T796 HydrophobicContact CG1-CG2 4.44Å; V779-T796 HydrophobicContact CG2-CG2 3.62Å; R782-T796 PolarHBondContact NE-OG1 2.93Å; R782-T796 PolarHBondContact NH2-OG1 3.28Å; L783-T796 HydrophobicContact CD1-CG2 3.95Å; L783-T796 HydrophobicContact CD2-CG2 3.69Å; L783-T796 HydrophobicContact CG-CG2 3.83Å; S792-T796 PolarHBondContact O-N 2.97Å; S792-T796 PolarHBondContact O-OG1 2.92Å; R793-T796 WeakPolarHBondContact O-CB 3.31Å; R793-T796 PolarHBondContact O-N 3.47Å; R793-T796 VanDerWaalsContact O-N 3.12Å; R794-T796 VanDerWaalsContact C-N 3.31Å; R794-T796 PolarHBondContact O-N 2.98Å; T796-T798 VanDerWaalsContact C-N 3.31Å; T796-V799 PolarHBondContact O-N 3.47Å; T796-F800 HydrophobicContact CG2-CE1 4.25Å; T796-F800 HydrophobicContact CG2-CE2 4.33Å; T796-F800 HydrophobicContact CG2-CZ 4.12Å; T796-F800 PolarHBondContact O-N 3.34Å
797Q94.6Very high93.1Very high0 Ų019.9 Ų19.90%012%0.118CC..Hα-helixtrans-64.2-38.6177.5-68.3-179.8-50.400111.1N688 L689 D691 F692 L783 R793 R794 N795 V799 F800 W801N688-Q797 PolarHBondContact O-NE2 3.17Å; L689-Q797 HydrophobicContact CD2-CB 3.86Å; L689-Q797 HydrophobicContact CD2-CG 4.32Å; L689-Q797 WeakPolarHBondContact CD2-O 3.35Å; D691-Q797 PolarHBondContact OD1-NE2 3.3Å; F692-Q797 HydrophobicContact CB-CB 4.17Å; F692-Q797 HydrophobicContact CD2-CB 3.42Å; F692-Q797 VanDerWaalsContact CD2-CB 3.42Å; F692-Q797 HydrophobicContact CD2-CG 4.4Å; F692-Q797 HydrophobicContact CE2-CB 4.01Å; F692-Q797 HydrophobicContact CG-CB 3.88Å; L783-Q797 HydrophobicContact CD2-CG 4.4Å; R793-Q797 PolarHBondContact O-N 3.27Å; R794-Q797 VanDerWaalsContact CD-OE1 3.31Å; R794-Q797 WeakPolarHBondContact O-CB 3.2Å; R794-Q797 PolarHBondContact O-N 3.16Å; R794-Q797 VanDerWaalsContact O-N 3.1Å; N795-Q797 VanDerWaalsContact C-N 3.35Å; N795-Q797 PolarHBondContact O-N 3.17Å; Q797-V799 PolarHBondContact O-N 2.91Å; Q797-F800 PolarHBondContact O-N 3.13Å; Q797-W801 WeakPolarHBondContact O-CB 3.49Å; Q797-W801 PolarHBondContact O-N 3.27Å
798T93.5Very high93.3Very high0 Ų017.8 Ų17.80%010%0.104CC..Hα-helixtrans-58.1-47.8171.5-60.70000111.8M715 V719 L727 R794 N795 T796 F800 W801 L802M715-T798 HydrophobicContact CE-CG2 3.42Å; M715-T798 VanDerWaalsContact CE-CG2 3.42Å; V719-T798 HydrophobicContact CG2-CG2 4.26Å; L727-T798 HydrophobicContact CD2-CG2 3.68Å; L727-T798 WeakPolarHBondContact CD2-OG1 3.47Å; R794-T798 PolarHBondContact O-N 2.77Å; R794-T798 PolarHBondContact O-OG1 3.46Å; N795-T798 WeakPolarHBondContact O-CB 3.33Å; N795-T798 PolarHBondContact O-N 2.91Å; T796-T798 VanDerWaalsContact C-N 3.31Å; T798-F800 VanDerWaalsContact C-N 3.35Å; T798-F800 PolarHBondContact O-N 2.97Å; T798-W801 PolarHBondContact O-N 3.35Å; T798-L802 HydrophobicContact CG2-CD1 3.95Å; T798-L802 HydrophobicContact CG2-CG 4.45Å; T798-L802 WeakPolarHBondContact O-CB 3.31Å; T798-L802 WeakPolarHBondContact O-CG 3.41Å; T798-L802 PolarHBondContact O-N 3.13Å
799V94.9Very high93.6Very high0 Ų015.4 Ų15.40%09%0.089CC..Hα-helixtrans-62.3-42.3176.4175.60000111.3L729 D733 V736 L737 Y775 N795 T796 Q797 L802 T803L729-V799 HydrophobicContact CD2-CG2 4.32Å; D733-V799 HydrophobicContact CB-CG2 3.59Å; V736-V799 HydrophobicContact CB-CG1 4.09Å; V736-V799 HydrophobicContact CG1-CG1 3.82Å; L737-V799 HydrophobicContact CD2-CG1 4.45Å; Y775-V799 HydrophobicContact CE1-CG1 3.99Å; Y775-V799 WeakPolarHBondContact OH-CB 3.29Å; Y775-V799 WeakPolarHBondContact OH-CG1 3.37Å; N795-V799 WeakPolarHBondContact O-CG2 3.29Å; N795-V799 PolarHBondContact O-N 3.21Å; T796-V799 PolarHBondContact O-N 3.47Å; Q797-V799 PolarHBondContact O-N 2.91Å; V799-L802 PolarHBondContact O-N 3.46Å; V799-T803 VanDerWaalsContact O-CB 3.25Å; V799-T803 WeakPolarHBondContact O-CB 3.33Å; V799-T803 PolarHBondContact O-N 2.8Å; V799-T803 PolarHBondContact O-OG1 2.83Å
800F96.1Very high94Very high0 Ų09.7 Ų9.70%06%0.058CC..Hα-helixtrans-61.7-44.2176.2-79-2.5000112.2F684 M685 N688 L689 Y775 I776 V779 L783 T796 Q797 T798 T803 V804F684-F800 HydrophobicContact CD1-CE2 4.47Å; F684-F800 HydrophobicContact CD1-CZ 4.44Å; F684-F800 HydrophobicContact CE1-CE2 4.11Å; F684-F800 AromaticContact CE1-CZ 4Å; F684-F800 HydrophobicContact CE1-CZ 4Å; M685-F800 HydrophobicContact CB-CB 4.16Å; M685-F800 HydrophobicContact CB-CD2 4.33Å; M685-F800 HydrophobicContact CB-CG 4.15Å; M685-F800 HydrophobicContact CG-CB 4.31Å; M685-F800 HydrophobicContact CG-CD1 3.92Å; M685-F800 HydrophobicContact CG-CD2 4.3Å; M685-F800 HydrophobicContact CG-CE1 4.26Å; M685-F800 HydrophobicContact CG-CG 3.94Å; M685-F800 HydrophobicContact SD-CD1 4.21Å; N688-F800 HydrophobicContact CB-CD2 4.01Å; N688-F800 HydrophobicContact CB-CE2 3.98Å; L689-F800 HydrophobicContact CD2-CB 4.1Å; Y775-F800 HydrophobicContact CD1-CE1 4.05Å; Y775-F800 HydrophobicContact CE1-CD1 4.04Å; Y775-F800 AromaticContact CE1-CE1 3.58Å; Y775-F800 HydrophobicContact CE1-CE1 3.58Å; I776-F800 HydrophobicContact CG1-CE1 4.1Å; I776-F800 HydrophobicContact CG1-CZ 4.08Å; V779-F800 HydrophobicContact CG2-CZ 4.31Å; L783-F800 HydrophobicContact CD1-CE2 3.56Å; L783-F800 HydrophobicContact CD1-CZ 3.71Å; L783-F800 HydrophobicContact CD2-CE2 4.31Å; T796-F800 HydrophobicContact CG2-CE1 4.25Å; T796-F800 HydrophobicContact CG2-CE2 4.33Å; T796-F800 HydrophobicContact CG2-CZ 4.12Å; T796-F800 PolarHBondContact O-N 3.34Å; Q797-F800 PolarHBondContact O-N 3.13Å; T798-F800 VanDerWaalsContact C-N 3.35Å; T798-F800 PolarHBondContact O-N 2.97Å; F800-T803 PolarHBondContact O-N 3.28Å; F800-V804 WeakPolarHBondContact O-CB 3.37Å; F800-V804 VanDerWaalsContact O-CG2 3.29Å; F800-V804 WeakPolarHBondContact O-CG2 3.26Å; F800-V804 PolarHBondContact O-N 3.4Å
801W95.3Very high94.4Very high5 Ų57.5 Ų7.52%0.0195%0.046CC..Hα-helixtrans-62.9-50.5177.7-17781.4000111L689 F692 P694 L708 L711 I712 M715 Q797 T798 T803 V804 E805L689-W801 HydrophobicContact CD1-CB 4.03Å; L689-W801 HydrophobicContact CD1-CG 4.5Å; L689-W801 HydrophobicContact CD2-CB 4.25Å; F692-W801 HydrophobicContact CD1-CB 4.37Å; F692-W801 HydrophobicContact CD1-CG 4.47Å; F692-W801 HydrophobicContact CE1-CB 3.9Å; F692-W801 HydrophobicContact CE1-CD2 4.42Å; F692-W801 AromaticContact CE1-CG 3.91Å; F692-W801 HydrophobicContact CE1-CG 3.91Å; P694-W801 HydrophobicContact CB-CZ2 4.39Å; P694-W801 HydrophobicContact CG-CZ2 4.47Å; L708-W801 HydrophobicContact CD1-CZ2 4.04Å; L711-W801 HydrophobicContact CB-CH2 4.4Å; I712-W801 VanDerWaalsContact CA-CH2 3.43Å; I712-W801 HydrophobicContact CB-CH2 3.92Å; I712-W801 HydrophobicContact CB-CZ3 4.43Å; I712-W801 HydrophobicContact CG1-CH2 3.27Å; I712-W801 HydrophobicContact CG1-CZ2 3.59Å; I712-W801 HydrophobicContact CG1-CZ3 4.05Å; M715-W801 HydrophobicContact CB-CH2 4.43Å; M715-W801 HydrophobicContact CB-CZ3 3.72Å; M715-W801 HydrophobicContact CE-CE3 4.43Å; M715-W801 HydrophobicContact CG-CH2 4.27Å; M715-W801 HydrophobicContact CG-CZ3 3.85Å; M715-W801 HydrophobicContact SD-CD2 4.2Å; M715-W801 HydrophobicContact SD-CE3 3.47Å; M715-W801 HydrophobicContact SD-CH2 3.68Å; M715-W801 HydrophobicContact SD-CZ2 4.45Å; M715-W801 HydrophobicContact SD-CZ3 3.19Å; M715-W801 WeakPolarHBondContact SD-CZ3 3.4Å; Q797-W801 WeakPolarHBondContact O-CB 3.49Å; Q797-W801 PolarHBondContact O-N 3.27Å; T798-W801 PolarHBondContact O-N 3.35Å; W801-T803 VanDerWaalsContact C-N 3.3Å; W801-T803 PolarHBondContact O-N 2.65Å; W801-V804 PolarHBondContact O-N 3Å; W801-V804 VanDerWaalsContact O-N 3.12Å; W801-E805 HydrophobicContact CD2-CG 4.2Å; W801-E805 HydrophobicContact CE3-CG 4.44Å; W801-E805 HydrophobicContact CZ2-CG 4.29Å; W801-E805 WeakPolarHBondContact O-CG 3.24Å; W801-E805 PolarHBondContact O-N 3.5Å
802L95.1Very high94.8Very high0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-58.9-39.8175.6-73.7173.5000112.3M715 A716 V719 L737 T798 V799 E805 C806 M874 W877M715-L802 HydrophobicContact CB-CD2 4.21Å; A716-L802 HydrophobicContact CB-CD2 4.4Å; V719-L802 HydrophobicContact CG2-CD1 4.02Å; L737-L802 HydrophobicContact CD2-CB 4.39Å; L737-L802 HydrophobicContact CD2-CD1 4.21Å; T798-L802 HydrophobicContact CG2-CD1 3.95Å; T798-L802 HydrophobicContact CG2-CG 4.45Å; T798-L802 WeakPolarHBondContact O-CB 3.31Å; T798-L802 WeakPolarHBondContact O-CG 3.41Å; T798-L802 PolarHBondContact O-N 3.13Å; V799-L802 PolarHBondContact O-N 3.46Å; L802-E805 PolarHBondContact O-N 3.48Å; L802-C806 WeakPolarHBondContact O-CB 3.4Å; L802-C806 PolarHBondContact O-N 3.25Å; L802-C806 PolarHBondContact O-SG 2.83Å; L802-M874 HydrophobicContact CD2-CE 4.39Å; L802-W877 HydrophobicContact CB-CH2 3.92Å; L802-W877 HydrophobicContact CD1-CH2 4.04Å; L802-W877 HydrophobicContact CD1-CZ2 3.8Å; L802-W877 HydrophobicContact CD2-CH2 4.1Å; L802-W877 HydrophobicContact CD2-CZ2 4.13Å; L802-W877 HydrophobicContact CG-CH2 4.24Å; L802-W877 HydrophobicContact CG-CZ2 4.38Å
803T97Very high95.3Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-63.1-44.9175.8-58.10000111.1M685 L740 F767 L771 V799 F800 W801 C806 L807M685-T803 HydrophobicContact CE-CG2 3.95Å; M685-T803 HydrophobicContact SD-CG2 3.61Å; L740-T803 HydrophobicContact CD1-CG2 4.15Å; L740-T803 HydrophobicContact CD2-CG2 4.4Å; F767-T803 HydrophobicContact CE1-CG2 3.92Å; F767-T803 HydrophobicContact CZ-CG2 4.01Å; L771-T803 HydrophobicContact CD2-CG2 4.37Å; V799-T803 VanDerWaalsContact O-CB 3.25Å; V799-T803 WeakPolarHBondContact O-CB 3.33Å; V799-T803 PolarHBondContact O-N 2.8Å; V799-T803 PolarHBondContact O-OG1 2.83Å; F800-T803 PolarHBondContact O-N 3.28Å; W801-T803 VanDerWaalsContact C-N 3.3Å; W801-T803 PolarHBondContact O-N 2.65Å; T803-C806 PolarHBondContact O-N 3.41Å; T803-L807 HydrophobicContact CG2-CD1 4.09Å; T803-L807 HydrophobicContact CG2-CG 4.43Å; T803-L807 WeakPolarHBondContact O-CB 3.36Å; T803-L807 VanDerWaalsContact O-CG 3.29Å; T803-L807 WeakPolarHBondContact O-CG 3.49Å; T803-L807 PolarHBondContact O-N 3Å
804V97.2Very high95.5Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-62-43.8176.8167.60000110.8L682 M685 T686 F800 W801 L807 K808 V822 T826L682-V804 HydrophobicContact CD2-CG2 4.27Å; M685-V804 HydrophobicContact CB-CG2 3.73Å; M685-V804 HydrophobicContact CE-CG2 3.84Å; M685-V804 HydrophobicContact SD-CG2 4.22Å; T686-V804 HydrophobicContact CG2-CG1 4.19Å; T686-V804 HydrophobicContact CG2-CG2 4.1Å; F800-V804 WeakPolarHBondContact O-CB 3.37Å; F800-V804 VanDerWaalsContact O-CG2 3.29Å; F800-V804 WeakPolarHBondContact O-CG2 3.26Å; F800-V804 PolarHBondContact O-N 3.4Å; W801-V804 PolarHBondContact O-N 3Å; W801-V804 VanDerWaalsContact O-N 3.12Å; V804-L807 PolarHBondContact O-N 3.5Å; V804-K808 WeakPolarHBondContact O-CB 3.43Å; V804-K808 WeakPolarHBondContact O-CG 3.46Å; V804-K808 PolarHBondContact O-N 3.32Å; V804-V822 HydrophobicContact CG1-CG1 3.77Å; V804-T826 HydrophobicContact CG1-CG2 3.92Å
805E95.4Very high95.8Very high0 Ų01.3 Ų1.30%01%0.008CC..Hα-helixtrans-65.2-41.6176.8-64.3-59142.800112.5I712 W801 L802 L807 K808 A809 R846 Y847 M874I712-E805 HydrophobicContact CD1-CB 4.45Å; I712-E805 HydrophobicContact CD1-CG 3.92Å; I712-E805 WeakPolarHBondContact CD1-OE2 3.38Å; I712-E805 HydrophobicContact CG1-CG 3.97Å; I712-E805 HydrophobicContact CG2-CB 4.47Å; W801-E805 HydrophobicContact CD2-CG 4.2Å; W801-E805 HydrophobicContact CE3-CG 4.44Å; W801-E805 HydrophobicContact CZ2-CG 4.29Å; W801-E805 WeakPolarHBondContact O-CG 3.24Å; W801-E805 PolarHBondContact O-N 3.5Å; L802-E805 PolarHBondContact O-N 3.48Å; E805-L807 PolarHBondContact O-N 2.66Å; E805-K808 PolarHBondContact O-N 3.37Å; E805-K808 WeakPolarHBondContact OE1-CE 3.47Å; E805-K808 IonicContact OE1-NZ 3.75Å; E805-K808 PolarHBondContact OE1-NZ 3.04Å; E805-K808 WeakPolarHBondContact OE2-CE 3.5Å; E805-K808 IonicContact OE2-NZ 2.68Å; E805-K808 PolarHBondContact OE2-NZ 2.62Å; E805-K808 VanDerWaalsContact OE2-NZ 3.12Å; E805-A809 WeakPolarHBondContact O-CB 3.22Å; E805-A809 PolarHBondContact O-N 3.45Å; E805-R846 IonicContact OE2-NH2 2.76Å; E805-R846 PolarHBondContact OE2-NH2 3.45Å; E805-Y847 PolarHBondContact O-OH 3.19Å; E805-Y847 PolarHBondContact OE2-OH 2.77Å; E805-M874 HydrophobicContact CB-CE 4Å
806C96.4Very high96Very high0 Ų01 Ų10%01%0.007CC..Hα-helixtrans-59.7-48174.4-69.10000111.3L740 I744 L802 T803 A809 L810 M874L740-C806 HydrophobicContact CD1-CB 4.38Å; L740-C806 HydrophobicContact CD2-CB 4.14Å; I744-C806 HydrophobicContact CD1-CB 4.43Å; L802-C806 WeakPolarHBondContact O-CB 3.4Å; L802-C806 PolarHBondContact O-N 3.25Å; L802-C806 PolarHBondContact O-SG 2.83Å; T803-C806 PolarHBondContact O-N 3.41Å; C806-A809 PolarHBondContact O-N 2.86Å; C806-L810 WeakPolarHBondContact O-CB 3.36Å; C806-L810 WeakPolarHBondContact O-CG 3.33Å; C806-L810 PolarHBondContact O-N 2.89Å; C806-M874 PolarHBondContact SG-SD 3.26Å
807L97.8Very high96.1Very high1 Ų12.1 Ų2.11%0.0051%0.011CC..Hα-helixtrans-65.6-38.8180-69.4176.5000111.7L682 M685 I764 L768 T803 V804 E805 L811L682-L807 HydrophobicContact CD2-CB 4.29Å; L682-L807 HydrophobicContact CD2-CD1 3.94Å; M685-L807 HydrophobicContact CE-CD1 3.97Å; I764-L807 HydrophobicContact CD1-CD2 4.46Å; I764-L807 HydrophobicContact CG1-CD2 4.42Å; I764-L807 HydrophobicContact CG2-CD2 4.21Å; L768-L807 HydrophobicContact CD2-CD1 4.21Å; T803-L807 HydrophobicContact CG2-CD1 4.09Å; T803-L807 HydrophobicContact CG2-CG 4.43Å; T803-L807 WeakPolarHBondContact O-CB 3.36Å; T803-L807 VanDerWaalsContact O-CG 3.29Å; T803-L807 WeakPolarHBondContact O-CG 3.49Å; T803-L807 PolarHBondContact O-N 3Å; V804-L807 PolarHBondContact O-N 3.5Å; E805-L807 PolarHBondContact O-N 2.66Å; L807-L811 VanDerWaalsContact O-CB 3.24Å; L807-L811 WeakPolarHBondContact O-CB 3.4Å; L807-L811 PolarHBondContact O-N 2.92Å
808K96.3Very high96Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-59.6-50.9171.8-79.8-170.1-62.5-1760111.1V804 E805 L810 L811 A812 M819 V822 E823 T826 L843V804-K808 WeakPolarHBondContact O-CB 3.43Å; V804-K808 WeakPolarHBondContact O-CG 3.46Å; V804-K808 PolarHBondContact O-N 3.32Å; E805-K808 PolarHBondContact O-N 3.37Å; E805-K808 WeakPolarHBondContact OE1-CE 3.47Å; E805-K808 IonicContact OE1-NZ 3.75Å; E805-K808 PolarHBondContact OE1-NZ 3.04Å; E805-K808 WeakPolarHBondContact OE2-CE 3.5Å; E805-K808 IonicContact OE2-NZ 2.68Å; E805-K808 PolarHBondContact OE2-NZ 2.62Å; E805-K808 VanDerWaalsContact OE2-NZ 3.12Å; K808-L810 VanDerWaalsContact C-N 3.35Å; K808-L810 PolarHBondContact O-N 3.48Å; K808-L811 PolarHBondContact O-N 3.12Å; K808-A812 WeakPolarHBondContact O-CB 3.37Å; K808-A812 PolarHBondContact O-N 2.81Å; K808-M819 HydrophobicContact CB-SD 4.46Å; K808-M819 HydrophobicContact CG-SD 4.07Å; K808-V822 HydrophobicContact CD-CB 4.43Å; K808-V822 HydrophobicContact CD-CG1 4.01Å; K808-V822 HydrophobicContact CG-CG1 4.15Å; K808-E823 HydrophobicContact CD-CB 4.31Å; K808-E823 IonicContact NZ-OE2 3.24Å; K808-E823 PolarHBondContact NZ-OE2 3.42Å; K808-T826 PolarHBondContact NZ-OG1 3.37Å; K808-L843 HydrophobicContact CB-CD2 4.21Å; K808-L843 HydrophobicContact CD-CD2 4.38Å; K808-L843 HydrophobicContact CG-CD2 4.46Å
809A94.9Very high96.1Very high3 Ų32.1 Ų2.13%0.0251%0.011CC..Hα-helixtrans-60.6-42.3-178.500000112.4E805 C806 Y847 W867 L871E805-A809 WeakPolarHBondContact O-CB 3.22Å; E805-A809 PolarHBondContact O-N 3.45Å; C806-A809 PolarHBondContact O-N 2.86Å; A809-Y847 HydrophobicContact CB-CE2 4.08Å; A809-W867 PolarHBondContact O-NE1 2.89Å; A809-L871 HydrophobicContact CB-CD1 4.49Å; A809-L871 HydrophobicContact CB-CD2 3.78Å; A809-L871 HydrophobicContact CB-CG 4.21Å
810L96.9Very high96Very high1 Ų12.6 Ų2.61%0.0051%0.013CC..Hα-helixtrans-73.8-47.4177.8-68.2174.2000111.8I743 I744 Y752 C806 K808 P813I743-L810 HydrophobicContact CG2-CD1 3.84Å; I744-L810 HydrophobicContact CG1-CD1 3.97Å; I744-L810 HydrophobicContact CG1-CD2 4.3Å; I744-L810 HydrophobicContact CG1-CG 4.37Å; Y752-L810 PolarHBondContact OH-O 2.9Å; C806-L810 WeakPolarHBondContact O-CB 3.36Å; C806-L810 WeakPolarHBondContact O-CG 3.33Å; C806-L810 PolarHBondContact O-N 2.89Å; K808-L810 VanDerWaalsContact C-N 3.35Å; K808-L810 PolarHBondContact O-N 3.48Å; L810-P813 WeakPolarHBondContact O-CD 3.23Å
811L98Very high95.8Very high0 Ų03.8 Ų3.80%02%0.019CC..Hα-helixtrans-87.8-12.5-169.7-67.1172.2000114.7L678 L761 I764 L807 K808 P813 I814 L815 M819L678-L811 HydrophobicContact CD1-CD1 3.84Å; L678-L811 HydrophobicContact CD2-CD1 3.59Å; L678-L811 HydrophobicContact CG-CD1 4.38Å; L761-L811 HydrophobicContact CD2-CD2 4.13Å; I764-L811 HydrophobicContact CD1-CD1 4.04Å; I764-L811 HydrophobicContact CD1-CD2 3.47Å; I764-L811 VanDerWaalsContact CD1-CD2 3.47Å; I764-L811 HydrophobicContact CD1-CG 3.74Å; I764-L811 HydrophobicContact CG2-CD1 4.38Å; L807-L811 VanDerWaalsContact O-CB 3.24Å; L807-L811 WeakPolarHBondContact O-CB 3.4Å; L807-L811 PolarHBondContact O-N 2.92Å; K808-L811 PolarHBondContact O-N 3.12Å; L811-P813 VanDerWaalsContact C-CD 3.47Å; L811-P813 VanDerWaalsContact C-N 3.32Å; L811-I814 PolarHBondContact O-N 3.46Å; L811-L815 HydrophobicContact CD1-CD1 4.43Å; L811-L815 HydrophobicContact CD2-CD1 4.5Å; L811-L815 PolarHBondContact O-N 3.31Å; L811-M819 HydrophobicContact CB-CE 3.81Å; L811-M819 HydrophobicContact CB-CG 3.98Å; L811-M819 HydrophobicContact CB-SD 3.98Å; L811-M819 HydrophobicContact CD1-CE 3.92Å
812A96.4Very high95.7Very high8 Ų83.6 Ų3.67%0.0662%0.018CC..THydrogen-bonded Turntrans-54.9-36.8-177.400000114.7K808 I814 P816 M819 L843K808-A812 WeakPolarHBondContact O-CB 3.37Å; K808-A812 PolarHBondContact O-N 2.81Å; A812-I814 VanDerWaalsContact C-N 3.33Å; A812-I814 PolarHBondContact O-N 3.25Å; A812-P816 VanDerWaalsContact O-CA 3.28Å; A812-P816 WeakPolarHBondContact O-CA 3.47Å; A812-P816 WeakPolarHBondContact O-CB 3.44Å; A812-M819 HydrophobicContact CB-CB 4.18Å; A812-M819 HydrophobicContact CB-CG 4.34Å; A812-L843 HydrophobicContact CB-CD2 3.89Å
813P97.3Very high95.5Very high0 Ų03.9 Ų3.90%02%0.019CC..THydrogen-bonded Turntrans-63.6-36.2172-26.337.5000113.9V92 R95 L96 L99 R649 L810 L811V92-P813 HydrophobicContact CG1-CB 4.05Å; V92-P813 WeakPolarHBondContact CG2-O 3.38Å; R95-P813 HydrophobicContact CB-CB 4.02Å; R95-P813 HydrophobicContact CB-CG 4.4Å; L96-P813 HydrophobicContact CD2-CB 4.24Å; L96-P813 HydrophobicContact CD2-CG 3.72Å; L96-P813 HydrophobicContact CG-CB 4.02Å; L96-P813 HydrophobicContact CG-CG 3.97Å; L99-P813 HydrophobicContact CD1-CG 3.5Å; L99-P813 VanDerWaalsContact CD1-CG 3.5Å; R649-P813 PolarHBondContact NH2-O 2.9Å; L810-P813 WeakPolarHBondContact O-CD 3.23Å; L811-P813 VanDerWaalsContact C-CD 3.47Å; L811-P813 VanDerWaalsContact C-N 3.32Å
814I98Very high95.1Very high0 Ų05.9 Ų5.90%03%0.033CC..THydrogen-bonded Turntrans-88.3-48.9-171.1-61173.2000110.9V92 R649 C653 Y752 L761 L811 A812 P816V92-I814 HydrophobicContact CG1-CG1 4.42Å; R649-I814 WeakPolarHBondContact CB-O 3.25Å; R649-I814 PolarHBondContact NE-O 2.89Å; C653-I814 HydrophobicContact CB-CG2 3.87Å; Y752-I814 HydrophobicContact CE1-CD1 4.33Å; L761-I814 HydrophobicContact CD1-CG2 4.49Å; L761-I814 HydrophobicContact CD2-CG2 4.25Å; L811-I814 PolarHBondContact O-N 3.46Å; A812-I814 VanDerWaalsContact C-N 3.33Å; A812-I814 PolarHBondContact O-N 3.25Å; I814-P816 VanDerWaalsContact O-CD 3.24Å; I814-P816 WeakPolarHBondContact O-CD 3.48Å
815L96.9Very high94.8Very high0 Ų06.3 Ų6.30%04%0.036CC..SBendtrans-12062.1-174.8-52.3178.4000110.6D646 R650 Y675 L678 L811 Y817 L818 M819D646-L815 HydrophobicContact CB-CD2 4.06Å; D646-L815 WeakPolarHBondContact O-CD2 3.41Å; R650-L815 HydrophobicContact CB-CD2 3.9Å; R650-L815 HydrophobicContact CG-CD2 4.36Å; Y675-L815 HydrophobicContact CD2-CD1 4.49Å; L678-L815 HydrophobicContact CD2-CD1 3.43Å; L678-L815 VanDerWaalsContact CD2-CD1 3.43Å; L811-L815 HydrophobicContact CD1-CD1 4.43Å; L811-L815 HydrophobicContact CD2-CD1 4.5Å; L811-L815 PolarHBondContact O-N 3.31Å; L815-Y817 VanDerWaalsContact C-N 3.3Å; L815-Y817 PolarHBondContact O-N 3.27Å; L815-L818 HydrophobicContact CB-CB 4.43Å; L815-L818 HydrophobicContact CD1-CD2 4.45Å; L815-L818 PolarHBondContact O-N 3.41Å; L815-M819 HydrophobicContact CB-CE 4.32Å; L815-M819 HydrophobicContact CD1-CE 4.44Å; L815-M819 WeakPolarHBondContact O-CG 3.4Å; L815-M819 PolarHBondContact O-N 3.02Å; L815-M819 VanDerWaalsContact O-N 3.11Å
816P95.4Very high94.5Very high3 Ų36.5 Ų6.52%0.0194%0.037CC..Hα-helixtrans-63.8-34.2-168.729.4-38000112.3W50 D646 A812 I814 E820W50-P816 HydrophobicContact CH2-CB 3.54Å; W50-P816 HydrophobicContact CH2-CG 3.91Å; W50-P816 HydrophobicContact CZ2-CB 3.62Å; W50-P816 HydrophobicContact CZ2-CG 4.48Å; W50-P816 HydrophobicContact CZ3-CB 4.38Å; W50-P816 HydrophobicContact CZ3-CG 4.46Å; D646-P816 WeakPolarHBondContact OD1-CD 3.33Å; A812-P816 VanDerWaalsContact O-CA 3.28Å; A812-P816 WeakPolarHBondContact O-CA 3.47Å; A812-P816 WeakPolarHBondContact O-CB 3.44Å; I814-P816 VanDerWaalsContact O-CD 3.24Å; I814-P816 WeakPolarHBondContact O-CD 3.48Å; P816-E820 VanDerWaalsContact O-CB 3.3Å; P816-E820 WeakPolarHBondContact O-CB 3.49Å; P816-E820 PolarHBondContact O-N 3.18Å
817Y93.9Very high93.9Very high23 Ų237.3 Ų7.39%0.094%0.04CC..Hα-helixtrans-69.4-48.6-179.4-66.2-73.2000112.3I46 N47 W50 D154 G156 V645 D646 L815 M819 E820 E821I46-Y817 HydrophobicContact CB-CD1 4.42Å; I46-Y817 HydrophobicContact CB-CE1 4.41Å; I46-Y817 HydrophobicContact CD1-CD1 4.18Å; I46-Y817 HydrophobicContact CG2-CD1 4.12Å; I46-Y817 HydrophobicContact CG2-CE1 4.21Å; N47-Y817 VanDerWaalsContact CG-OH 3.3Å; N47-Y817 PolarHBondContact ND2-OH 2.85Å; N47-Y817 WeakPolarHBondContact OD1-CE1 3.44Å; N47-Y817 PolarHBondContact OD1-OH 3.41Å; W50-Y817 AromaticContact CH2-CD1 3.56Å; W50-Y817 HydrophobicContact CH2-CD1 3.56Å; W50-Y817 HydrophobicContact CH2-CD2 4.33Å; W50-Y817 AromaticContact CH2-CE1 3.56Å; W50-Y817 HydrophobicContact CH2-CE1 3.56Å; W50-Y817 HydrophobicContact CH2-CE2 4.35Å; W50-Y817 AromaticContact CH2-CG 3.96Å; W50-Y817 HydrophobicContact CH2-CG 3.96Å; W50-Y817 AromaticContact CH2-CZ 4Å; W50-Y817 AromaticContact CZ3-CD1 4Å; W50-Y817 HydrophobicContact CZ3-CD1 4Å; W50-Y817 AromaticContact CZ3-CE1 3.48Å; W50-Y817 HydrophobicContact CZ3-CE1 3.48Å; W50-Y817 VanDerWaalsContact CZ3-CE1 3.48Å; W50-Y817 HydrophobicContact CZ3-CE2 4.26Å; W50-Y817 AromaticContact CZ3-CZ 3.65Å; D154-Y817 PolarHBondContact O-OH 2.82Å; G156-Y817 WeakPolarHBondContact CA-OH 3.39Å; G156-Y817 PolarHBondContact N-OH 3.26Å; V645-Y817 HydrophobicContact CB-CD2 4.18Å; V645-Y817 HydrophobicContact CB-CE2 3.89Å; V645-Y817 HydrophobicContact CG1-CD2 4.37Å; V645-Y817 HydrophobicContact CG1-CE2 3.82Å; V645-Y817 HydrophobicContact CG2-CE2 4.44Å; D646-Y817 WeakPolarHBondContact OD1-CD2 3.5Å; L815-Y817 VanDerWaalsContact C-N 3.3Å; L815-Y817 PolarHBondContact O-N 3.27Å; Y817-M819 VanDerWaalsContact C-N 3.3Å; Y817-M819 PolarHBondContact O-N 3.18Å; Y817-E820 PolarHBondContact O-N 3.32Å; Y817-E821 PolarHBondContact O-N 3.45Å
818L94.1Very high93.3Very high0 Ų011.5 Ų11.50%06%0.063CC..Hα-helixtrans-60.7-41.8177.9177.162.6000111D646 Y675 L678 R679 L682 L815 E821 V822D646-L818 VanDerWaalsContact OD2-CB 3.25Å; D646-L818 WeakPolarHBondContact OD2-CB 3.25Å; D646-L818 PolarHBondContact OD2-N 3.01Å; Y675-L818 HydrophobicContact CD2-CD2 4.28Å; Y675-L818 HydrophobicContact CE2-CB 4.04Å; Y675-L818 HydrophobicContact CE2-CD2 3.68Å; Y675-L818 HydrophobicContact CE2-CG 4.37Å; L678-L818 HydrophobicContact CD2-CD2 3.82Å; L678-L818 HydrophobicContact CG-CD2 4.14Å; R679-L818 HydrophobicContact CB-CD1 4.28Å; R679-L818 HydrophobicContact CB-CD2 4.46Å; R679-L818 HydrophobicContact CG-CD1 3.91Å; R679-L818 VanDerWaalsContact NH1-CD1 3.31Å; L682-L818 HydrophobicContact CD1-CD2 4.16Å; L682-L818 HydrophobicContact CD1-CG 4.38Å; L815-L818 HydrophobicContact CB-CB 4.43Å; L815-L818 HydrophobicContact CD1-CD2 4.45Å; L815-L818 PolarHBondContact O-N 3.41Å; L818-E821 PolarHBondContact O-N 2.99Å; L818-V822 HydrophobicContact CD1-CG2 4.32Å; L818-V822 VanDerWaalsContact O-CG2 3.29Å; L818-V822 WeakPolarHBondContact O-CG2 3.43Å; L818-V822 PolarHBondContact O-N 2.62Å
819M95.3Very high92.9Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-69.9-33-179.9-63.2-48.9124.700112.5L678 L682 K808 L811 A812 L815 Y817 V822 E823 L843L678-M819 HydrophobicContact CD2-CE 4.19Å; L682-M819 HydrophobicContact CD1-CE 3.92Å; K808-M819 HydrophobicContact CB-SD 4.46Å; K808-M819 HydrophobicContact CG-SD 4.07Å; L811-M819 HydrophobicContact CB-CE 3.81Å; L811-M819 HydrophobicContact CB-CG 3.98Å; L811-M819 HydrophobicContact CB-SD 3.98Å; L811-M819 HydrophobicContact CD1-CE 3.92Å; A812-M819 HydrophobicContact CB-CB 4.18Å; A812-M819 HydrophobicContact CB-CG 4.34Å; L815-M819 HydrophobicContact CB-CE 4.32Å; L815-M819 HydrophobicContact CD1-CE 4.44Å; L815-M819 WeakPolarHBondContact O-CG 3.4Å; L815-M819 PolarHBondContact O-N 3.02Å; L815-M819 VanDerWaalsContact O-N 3.11Å; Y817-M819 VanDerWaalsContact C-N 3.3Å; Y817-M819 PolarHBondContact O-N 3.18Å; M819-V822 PolarHBondContact O-N 3.34Å; M819-E823 WeakPolarHBondContact O-CB 3.29Å; M819-E823 PolarHBondContact O-N 3.43Å; M819-L843 HydrophobicContact CB-CD2 3.68Å
820E92.9Very high92.2Very high10 Ų1012.2 Ų12.25%0.0477%0.066CC..Hα-helixtrans-69-37.9174.1-159.173.2-132.500112.4I46 W50 P816 Y817 E823 S824 T842 L843I46-E820 HydrophobicContact CD1-CB 4.27Å; I46-E820 HydrophobicContact CD1-CG 4.21Å; I46-E820 HydrophobicContact CG1-CG 4.17Å; I46-E820 HydrophobicContact CG2-CB 4.38Å; I46-E820 HydrophobicContact CG2-CG 3.96Å; W50-E820 HydrophobicContact CZ2-CB 4.32Å; W50-E820 PolarHBondContact NE1-OE2 2.85Å; P816-E820 VanDerWaalsContact O-CB 3.3Å; P816-E820 WeakPolarHBondContact O-CB 3.49Å; P816-E820 PolarHBondContact O-N 3.18Å; Y817-E820 PolarHBondContact O-N 3.32Å; E820-E823 WeakPolarHBondContact O-CB 3.4Å; E820-E823 PolarHBondContact O-N 3.45Å; E820-S824 PolarHBondContact O-N 3.12Å; E820-S824 PolarHBondContact O-OG 2.64Å; E820-T842 WeakPolarHBondContact OE1-CA 3.43Å; E820-T842 WeakPolarHBondContact OE1-CB 3.4Å; E820-L843 PolarHBondContact OE1-N 2.71Å; E820-L843 PolarHBondContact OE2-N 2.84Å
821E91.5Very high91.4Very high26 Ų2614.5 Ų14.512%0.1218%0.082CC..Hα-helixtrans-64-44.6173.1-173.7-177.417800110.8F34 R679 Y817 L818 E823 S824 V825F34-E821 WeakPolarHBondContact CB-OE1 3.29Å; R679-E821 IonicContact CZ-OE1 3.46Å; R679-E821 IonicContact CZ-OE2 2.9Å; R679-E821 IonicContact NH1-OE1 3.26Å; R679-E821 IonicContact NH1-OE2 3.43Å; R679-E821 PolarHBondContact NH1-OE2 2.93Å; R679-E821 IonicContact NH2-OE1 2.75Å; R679-E821 PolarHBondContact NH2-OE1 2.79Å; R679-E821 IonicContact NH2-OE2 2.78Å; R679-E821 PolarHBondContact NH2-OE2 2.8Å; Y817-E821 PolarHBondContact O-N 3.45Å; L818-E821 PolarHBondContact O-N 2.99Å; E821-E823 VanDerWaalsContact C-N 3.34Å; E821-E823 PolarHBondContact O-N 3.07Å; E821-S824 WeakPolarHBondContact O-CB 3.46Å; E821-S824 PolarHBondContact O-N 3.15Å; E821-V825 WeakPolarHBondContact O-CG2 3.37Å; E821-V825 PolarHBondContact O-N 2.66Å
822V93Very high90.3Very high0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-66.3-37.6177.1176.40000111.4F34 L682 T686 V804 K808 L818 M819 S824 V825 T826F34-V822 HydrophobicContact CE1-CG2 4.48Å; F34-V822 HydrophobicContact CZ-CG2 4.07Å; L682-V822 HydrophobicContact CB-CG2 4.22Å; L682-V822 HydrophobicContact CD1-CG2 4.1Å; L682-V822 HydrophobicContact CD2-CG1 4.46Å; T686-V822 HydrophobicContact CG2-CG1 4.25Å; V804-V822 HydrophobicContact CG1-CG1 3.77Å; K808-V822 HydrophobicContact CD-CB 4.43Å; K808-V822 HydrophobicContact CD-CG1 4.01Å; K808-V822 HydrophobicContact CG-CG1 4.15Å; L818-V822 HydrophobicContact CD1-CG2 4.32Å; L818-V822 VanDerWaalsContact O-CG2 3.29Å; L818-V822 WeakPolarHBondContact O-CG2 3.43Å; L818-V822 PolarHBondContact O-N 2.62Å; M819-V822 PolarHBondContact O-N 3.34Å; V822-S824 VanDerWaalsContact C-N 3.34Å; V822-V825 WeakPolarHBondContact O-CB 3.3Å; V822-V825 PolarHBondContact O-N 3.32Å; V822-T826 PolarHBondContact O-N 3.02Å; V822-T826 PolarHBondContact O-OG1 3.3Å; V822-T826 VanDerWaalsContact O-OG1 3.12Å
823E91.5Very high89.1Confident6 Ų621.4 Ų21.43%0.02812%0.123CC..Hα-helixtrans-57.5-48.7172178.168177.100111.1K808 M819 E820 E821 V825 T826 W827 L843 R846K808-E823 HydrophobicContact CD-CB 4.31Å; K808-E823 IonicContact NZ-OE2 3.24Å; K808-E823 PolarHBondContact NZ-OE2 3.42Å; M819-E823 WeakPolarHBondContact O-CB 3.29Å; M819-E823 PolarHBondContact O-N 3.43Å; E820-E823 WeakPolarHBondContact O-CB 3.4Å; E820-E823 PolarHBondContact O-N 3.45Å; E821-E823 VanDerWaalsContact C-N 3.34Å; E821-E823 PolarHBondContact O-N 3.07Å; E823-V825 VanDerWaalsContact C-N 3.26Å; E823-V825 PolarHBondContact O-N 3.4Å; E823-T826 WeakPolarHBondContact CA-OG1 3.19Å; E823-T826 PolarHBondContact O-N 2.91Å; E823-T826 PolarHBondContact O-OG1 3.1Å; E823-W827 WeakPolarHBondContact O-CB 3.34Å; E823-W827 PolarHBondContact O-N 3.33Å; E823-L843 HydrophobicContact CB-CB 4.16Å; E823-L843 HydrophobicContact CB-CD1 4.29Å; E823-L843 HydrophobicContact CB-CD2 4.45Å; E823-L843 HydrophobicContact CG-CB 4.08Å; E823-L843 HydrophobicContact CG-CD1 4.08Å; E823-L843 WeakPolarHBondContact OE2-CD1 3.45Å; E823-R846 IonicContact OE1-CZ 3.42Å; E823-R846 IonicContact OE1-NE 3.06Å; E823-R846 PolarHBondContact OE1-NE 2.99Å; E823-R846 IonicContact OE1-NH2 3.15Å; E823-R846 PolarHBondContact OE1-NH2 2.51Å; E823-R846 VanDerWaalsContact OE1-NH2 3.15Å; E823-R846 IonicContact OE2-CZ 3.64Å; E823-R846 IonicContact OE2-NE 2.86Å; E823-R846 IonicContact OE2-NH2 2.72Å; E823-R846 PolarHBondContact OE2-NH2 3.23Å
824S89Confident87.8Confident42 Ų4222.8 Ų22.829%0.29413%0.13SC..Hα-helixtrans-59.9-38.2178.4-59.60000111.9E820 E821 V822 N828E820-S824 PolarHBondContact O-N 3.12Å; E820-S824 PolarHBondContact O-OG 2.64Å; E821-S824 WeakPolarHBondContact O-CB 3.46Å; E821-S824 PolarHBondContact O-N 3.15Å; V822-S824 VanDerWaalsContact C-N 3.34Å; S824-N828 WeakPolarHBondContact O-CB 3.25Å; S824-N828 PolarHBondContact O-N 2.9Å; S824-N828 PolarHBondContact O-ND2 3.29Å
825V89.9Confident85.9Confident10 Ų1030.1 Ų30.16%0.06117%0.169CC..Hα-helixtrans-65.4-50.4174.6169.60000111.3Q33 F34 T686 E821 V822 E823 W827 N828 L829Q33-V825 HydrophobicContact CB-CB 4.48Å; Q33-V825 HydrophobicContact CB-CG1 3.74Å; Q33-V825 HydrophobicContact CB-CG2 3.98Å; Q33-V825 HydrophobicContact CG-CG1 3.97Å; F34-V825 HydrophobicContact CD1-CG1 4.38Å; F34-V825 HydrophobicContact CD1-CG2 3.69Å; F34-V825 HydrophobicContact CE1-CG1 4.42Å; F34-V825 HydrophobicContact CE1-CG2 4.23Å; T686-V825 HydrophobicContact CG2-CG1 4.31Å; E821-V825 WeakPolarHBondContact O-CG2 3.37Å; E821-V825 PolarHBondContact O-N 2.66Å; V822-V825 WeakPolarHBondContact O-CB 3.3Å; V822-V825 PolarHBondContact O-N 3.32Å; E823-V825 VanDerWaalsContact C-N 3.26Å; E823-V825 PolarHBondContact O-N 3.4Å; V825-W827 PolarHBondContact O-N 2.73Å; V825-N828 PolarHBondContact O-N 2.81Å; V825-L829 HydrophobicContact CG1-CD1 4.46Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 3.49Å; V825-L829 VanDerWaalsContact O-N 3.12Å
826T88.8Confident84.1Confident3 Ų336.7 Ų36.72%0.01821%0.205CC..Hα-helixtrans-61.4-37.3178.846.60000111.8T686 V804 K808 V822 E823 L829 L830T686-T826 HydrophobicContact CG2-CG2 4.22Å; V804-T826 HydrophobicContact CG1-CG2 3.92Å; K808-T826 PolarHBondContact NZ-OG1 3.37Å; V822-T826 PolarHBondContact O-N 3.02Å; V822-T826 PolarHBondContact O-OG1 3.3Å; V822-T826 VanDerWaalsContact O-OG1 3.12Å; E823-T826 WeakPolarHBondContact CA-OG1 3.19Å; E823-T826 PolarHBondContact O-N 2.91Å; E823-T826 PolarHBondContact O-OG1 3.1Å; T826-L829 PolarHBondContact O-N 3.01Å; T826-L830 WeakPolarHBondContact O-CG 3.35Å; T826-L830 PolarHBondContact O-N 3.33Å
827W84.9Confident82.5Confident17 Ų1738.2 Ų38.26%0.06421%0.211CC..Hα-helixtrans-61.7-50.6175178.6-98.7000112.2E823 V825 L829 L830 S831 F837 K838 Q839E823-W827 WeakPolarHBondContact O-CB 3.34Å; E823-W827 PolarHBondContact O-N 3.33Å; V825-W827 PolarHBondContact O-N 2.73Å; W827-L829 VanDerWaalsContact C-N 3.25Å; W827-L829 PolarHBondContact O-N 3.28Å; W827-L830 PolarHBondContact O-N 2.98Å; W827-S831 PolarHBondContact O-N 2.69Å; W827-S831 PolarHBondContact O-OG 3.49Å; W827-F837 HydrophobicContact CE3-CD1 4.44Å; W827-F837 HydrophobicContact CH2-CB 3.52Å; W827-F837 AromaticContact CH2-CD1 3.33Å; W827-F837 HydrophobicContact CH2-CD1 3.33Å; W827-F837 HydrophobicContact CH2-CE1 4.37Å; W827-F837 AromaticContact CH2-CG 3.83Å; W827-F837 HydrophobicContact CH2-CG 3.83Å; W827-F837 WeakPolarHBondContact CH2-O 3.2Å; W827-F837 HydrophobicContact CZ2-CB 4.05Å; W827-F837 WeakPolarHBondContact CZ2-O 3.19Å; W827-F837 HydrophobicContact CZ3-CB 4.22Å; W827-F837 AromaticContact CZ3-CD1 3.26Å; W827-F837 HydrophobicContact CZ3-CD1 3.26Å; W827-F837 AromaticContact CZ3-CE1 3.9Å; W827-F837 HydrophobicContact CZ3-CE1 3.9Å; W827-F837 HydrophobicContact CZ3-CG 4.05Å; W827-K838 WeakPolarHBondContact CH2-O 3.13Å; W827-Q839 HydrophobicContact CD2-CB 4.22Å; W827-Q839 HydrophobicContact CD2-CG 3.67Å; W827-Q839 VanDerWaalsContact CE2-CG 3.46Å; W827-Q839 HydrophobicContact CE3-CG 4.17Å; W827-Q839 HydrophobicContact CG-CG 4.02Å; W827-Q839 HydrophobicContact CH2-CB 3.86Å; W827-Q839 HydrophobicContact CH2-CG 4.27Å; W827-Q839 VanDerWaalsContact CZ2-CA 3.43Å; W827-Q839 HydrophobicContact CZ2-CB 3.38Å; W827-Q839 HydrophobicContact CZ2-CG 3.83Å; W827-Q839 HydrophobicContact CZ3-CB 4.45Å; W827-Q839 HydrophobicContact CZ3-CG 4.43Å
828N85.3Confident80.9Confident90 Ų9046.5 Ų46.548%0.48125%0.247SC..Hα-helixtrans-62.1-33.9-178.9-71.6-18.7000112.7S824 V825 S831 S832S824-N828 WeakPolarHBondContact O-CB 3.25Å; S824-N828 PolarHBondContact O-N 2.9Å; S824-N828 PolarHBondContact O-ND2 3.29Å; V825-N828 PolarHBondContact O-N 2.81Å; N828-S831 WeakPolarHBondContact CA-OG 3.41Å; N828-S831 PolarHBondContact O-OG 3.19Å; N828-S832 WeakPolarHBondContact O-CB 3.43Å; N828-S832 PolarHBondContact O-N 2.91Å; N828-S832 PolarHBondContact O-OG 3.28Å
829L86.2Confident79.4Confident12 Ų1251 Ų516%0.06327%0.269CS..Hα-helixtrans-63.7-44.1173.4-68.5178.8000111.2Q33 L689 V825 T826 W827 S832 Q833Q33-L829 HydrophobicContact CG-CD2 4.43Å; L689-L829 HydrophobicContact CB-CD1 4.02Å; V825-L829 HydrophobicContact CG1-CD1 4.46Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 3.49Å; V825-L829 VanDerWaalsContact O-N 3.12Å; T826-L829 PolarHBondContact O-N 3.01Å; W827-L829 VanDerWaalsContact C-N 3.25Å; W827-L829 PolarHBondContact O-N 3.28Å; L829-S832 PolarHBondContact O-OG 2.74Å; L829-Q833 WeakPolarHBondContact O-CG 3.15Å
830L81.6Confident77.8Confident5 Ų552.4 Ų52.43%0.02628%0.279CS..Hα-helixtrans-73.4-43.7-179.1-66.7174.4000113.1P694 L708 T826 W827 S832 Q833 L834P694-L830 HydrophobicContact CG-CD2 3.53Å; L708-L830 HydrophobicContact CD1-CD1 3.59Å; T826-L830 WeakPolarHBondContact O-CG 3.35Å; T826-L830 PolarHBondContact O-N 3.33Å; W827-L830 PolarHBondContact O-N 2.98Å; L830-S832 PolarHBondContact O-N 3.36Å; L830-Q833 CarbonylContact O-C 3.57Å; L830-Q833 WeakPolarHBondContact O-CA 3.34Å; L830-Q833 PolarHBondContact O-N 3.37Å; L830-L834 HydrophobicContact CB-CD1 4.44Å; L830-L834 HydrophobicContact CD2-CD1 4.43Å; L830-L834 WeakPolarHBondContact O-CB 3.09Å; L830-L834 PolarHBondContact O-N 3.47Å
831S79.2Confident77Confident50 Ų5054.6 Ų54.635%0.3529%0.293SS..Hα-helixtrans-65.1-27.3-179.263.50000112.5W827 N828 Q833W827-S831 PolarHBondContact O-N 2.69Å; W827-S831 PolarHBondContact O-OG 3.49Å; N828-S831 WeakPolarHBondContact CA-OG 3.41Å; N828-S831 PolarHBondContact O-OG 3.19Å; S831-Q833 PolarHBondContact O-N 3.07Å
832S74.6Confident76.9Confident90 Ų9053.4 Ų53.463%0.62929%0.287SS*.THydrogen-bonded Turntrans-68.7-15171.4750000113.9N828 L829 L830N828-S832 WeakPolarHBondContact O-CB 3.43Å; N828-S832 PolarHBondContact O-N 2.91Å; N828-S832 PolarHBondContact O-OG 3.28Å; L829-S832 PolarHBondContact O-OG 2.74Å; L830-S832 PolarHBondContact O-N 3.36Å
833Q71.9Confident76.9Confident63 Ų6353.5 Ų53.529%0.29429%0.288SS..THydrogen-bonded Turntrans-117.8-16.9-174.4-63.5175.3-2.600113.3Y690 F692 L829 L830 S831Y690-Q833 PolarHBondContact O-NE2 3.48Å; F692-Q833 PolarHBondContact O-OE1 2.79Å; L829-Q833 WeakPolarHBondContact O-CG 3.15Å; L830-Q833 CarbonylContact O-C 3.57Å; L830-Q833 WeakPolarHBondContact O-CA 3.34Å; L830-Q833 PolarHBondContact O-N 3.37Å; S831-Q833 PolarHBondContact O-N 3.07Å
834L69.3Low77Confident28 Ų2853.6 Ų53.615%0.14729%0.288CS..  trans-128.5118.9-173.6-61.7174.7000110.3V695 L830 F837V695-L834 HydrophobicContact CB-CD2 3.97Å; V695-L834 HydrophobicContact CG1-CD2 4.41Å; V695-L834 HydrophobicContact CG2-CD1 3.7Å; V695-L834 HydrophobicContact CG2-CD2 3.66Å; V695-L834 HydrophobicContact CG2-CG 4.35Å; L830-L834 HydrophobicContact CB-CD1 4.44Å; L830-L834 HydrophobicContact CD2-CD1 4.43Å; L830-L834 WeakPolarHBondContact O-CB 3.09Å; L830-L834 PolarHBondContact O-N 3.47Å; L834-F837 HydrophobicContact CB-CD2 4.23Å; L834-F837 HydrophobicContact CD1-CD2 3.85Å; L834-F837 HydrophobicContact CD1-CE2 3.88Å
835N59.3Low77.1Confident154 Ų15453.5 Ų53.582%0.82428%0.283SS*.THydrogen-bonded Turntrans-69.7143.7169.8-71.1-28000109.8F837N835-F837 PolarHBondContact O-N 3.22Å
836D59.3Low77.1Confident139 Ų13953.7 Ų53.774%0.74328%0.283SS*.THydrogen-bonded Turntrans7217.7170.8-58.9-31.3000119.4K838D836-K838 PolarHBondContact O-N 2.52Å
837F60.8Low77.3Confident34 Ų3453.6 Ų53.615%0.14928%0.282CS..PPolyproline II helixtrans-73.4116.9172.1-126.1-77.6000111.4Y706 L708 L711 W827 L834 N835Y706-F837 WeakPolarHBondContact O-CE1 3.35Å; Y706-F837 WeakPolarHBondContact O-CE2 3.42Å; Y706-F837 WeakPolarHBondContact O-CZ 3.23Å; L708-F837 HydrophobicContact CB-CE1 3.78Å; L708-F837 HydrophobicContact CB-CZ 4.12Å; L708-F837 VanDerWaalsContact N-CE1 3.31Å; L711-F837 HydrophobicContact CD1-CE2 3.81Å; L711-F837 HydrophobicContact CD1-CZ 3.74Å; W827-F837 HydrophobicContact CE3-CD1 4.44Å; W827-F837 HydrophobicContact CH2-CB 3.52Å; W827-F837 AromaticContact CH2-CD1 3.33Å; W827-F837 HydrophobicContact CH2-CD1 3.33Å; W827-F837 HydrophobicContact CH2-CE1 4.37Å; W827-F837 AromaticContact CH2-CG 3.83Å; W827-F837 HydrophobicContact CH2-CG 3.83Å; W827-F837 WeakPolarHBondContact CH2-O 3.2Å; W827-F837 HydrophobicContact CZ2-CB 4.05Å; W827-F837 WeakPolarHBondContact CZ2-O 3.19Å; W827-F837 HydrophobicContact CZ3-CB 4.22Å; W827-F837 AromaticContact CZ3-CD1 3.26Å; W827-F837 HydrophobicContact CZ3-CD1 3.26Å; W827-F837 AromaticContact CZ3-CE1 3.9Å; W827-F837 HydrophobicContact CZ3-CE1 3.9Å; W827-F837 HydrophobicContact CZ3-CG 4.05Å; L834-F837 HydrophobicContact CB-CD2 4.23Å; L834-F837 HydrophobicContact CD1-CD2 3.85Å; L834-F837 HydrophobicContact CD1-CE2 3.88Å; N835-F837 PolarHBondContact O-N 3.22Å
838K60.5Low77.5Confident197 Ų19753.8 Ų53.886%0.85729%0.286SS*.PPolyproline II helixtrans-79.8120.1172.7-85.9-174.5178178.60111.2W827 D836 S840W827-K838 WeakPolarHBondContact CH2-O 3.13Å; D836-K838 PolarHBondContact O-N 2.52Å; K838-S840 PolarHBondContact O-N 2.96Å
839Q62.6Low77.4Confident95 Ų9551.5 Ų51.544%0.44428%0.277SS..PPolyproline II helixtrans-72.4125.4178.1-157.9179.53.300109.9W827W827-Q839 HydrophobicContact CD2-CB 4.22Å; W827-Q839 HydrophobicContact CD2-CG 3.67Å; W827-Q839 VanDerWaalsContact CE2-CG 3.46Å; W827-Q839 HydrophobicContact CE3-CG 4.17Å; W827-Q839 HydrophobicContact CG-CG 4.02Å; W827-Q839 HydrophobicContact CH2-CB 3.86Å; W827-Q839 HydrophobicContact CH2-CG 4.27Å; W827-Q839 VanDerWaalsContact CZ2-CA 3.43Å; W827-Q839 HydrophobicContact CZ2-CB 3.38Å; W827-Q839 HydrophobicContact CZ2-CG 3.83Å; W827-Q839 HydrophobicContact CZ3-CB 4.45Å; W827-Q839 HydrophobicContact CZ3-CG 4.43Å
840S61.3Low77.1Confident30 Ų3054.6 Ų54.621%0.2129%0.293CS..PPolyproline II helixtrans-61.1143159.848.80000109.4K838 T842 R846K838-S840 PolarHBondContact O-N 2.96Å; S840-T842 PolarHBondContact O-N 3.38Å; S840-R846 WeakPolarHBondContact OG-CB 3.48Å
841T76.6Confident77Confident56 Ų5657.5 Ų57.534%0.34431%0.314SS..SBendtrans-65.2-32.3-173.868.50000112K49 E845K49-T841 WeakPolarHBondContact CD-O 3.35Å; K49-T841 PolarHBondContact NZ-O 2.97Å; K49-T841 VanDerWaalsContact NZ-O 3.15Å; T841-E845 VanDerWaalsContact CB-OE2 3.3Å; T841-E845 WeakPolarHBondContact CB-OE2 3.3Å; T841-E845 PolarHBondContact N-OE2 3.27Å; T841-E845 PolarHBondContact OG1-OE2 3.46Å
842T89.7Confident77Confident1 Ų155.3 Ų55.31%0.00630%0.298CS..  trans-143.4160.9176.264.90000113.8K49 E820 S840 L844 E845 R846K49-T842 HydrophobicContact CB-CG2 3.29Å; K49-T842 HydrophobicContact CD-CG2 4.13Å; K49-T842 HydrophobicContact CG-CG2 4.33Å; E820-T842 WeakPolarHBondContact OE1-CA 3.43Å; E820-T842 WeakPolarHBondContact OE1-CB 3.4Å; S840-T842 PolarHBondContact O-N 3.38Å; T842-L844 VanDerWaalsContact C-N 3.31Å; T842-L844 PolarHBondContact O-N 3.08Å; T842-E845 PolarHBondContact O-N 3.15Å; T842-E845 WeakPolarHBondContact OG1-CB 3.2Å; T842-E845 PolarHBondContact OG1-N 3.15Å; T842-E845 VanDerWaalsContact OG1-N 3.14Å; T842-R846 PolarHBondContact O-N 2.95Å; T842-R846 VanDerWaalsContact O-N 3.07Å
843L92.4Very high77Confident2 Ų255.8 Ų55.81%0.0129%0.29CS..Hα-helixtrans-57.9-43171.3-179.260.6000111.9K808 A812 M819 E820 E823 E845 R846 Y847K808-L843 HydrophobicContact CB-CD2 4.21Å; K808-L843 HydrophobicContact CD-CD2 4.38Å; K808-L843 HydrophobicContact CG-CD2 4.46Å; A812-L843 HydrophobicContact CB-CD2 3.89Å; M819-L843 HydrophobicContact CB-CD2 3.68Å; E820-L843 PolarHBondContact OE1-N 2.71Å; E820-L843 PolarHBondContact OE2-N 2.84Å; E823-L843 HydrophobicContact CB-CB 4.16Å; E823-L843 HydrophobicContact CB-CD1 4.29Å; E823-L843 HydrophobicContact CB-CD2 4.45Å; E823-L843 HydrophobicContact CG-CB 4.08Å; E823-L843 HydrophobicContact CG-CD1 4.08Å; E823-L843 WeakPolarHBondContact OE2-CD1 3.45Å; L843-E845 PolarHBondContact O-N 3.43Å; L843-R846 VanDerWaalsContact CD1-NH2 3.28Å; L843-R846 PolarHBondContact O-N 2.88Å; L843-Y847 HydrophobicContact CD1-CD2 3.61Å; L843-Y847 HydrophobicContact CD1-CE2 3.28Å; L843-Y847 HydrophobicContact CD1-CG 4.43Å; L843-Y847 HydrophobicContact CD2-CE2 4.29Å; L843-Y847 HydrophobicContact CG-CD2 3.87Å; L843-Y847 HydrophobicContact CG-CE2 3.85Å; L843-Y847 WeakPolarHBondContact O-CB 3.49Å; L843-Y847 PolarHBondContact O-N 2.66Å; L843-Y847 VanDerWaalsContact O-N 3.1Å
844L93.7Very high77Confident7 Ų760.1 Ų60.14%0.03732%0.316CS..Hα-helixtrans-60.6-45178.9-179.562000111.2F53 R95 L98 L99 I158 T842 S848F53-L844 HydrophobicContact CD1-CD2 4Å; F53-L844 HydrophobicContact CD1-CG 4.01Å; F53-L844 HydrophobicContact CE1-CD2 4.12Å; F53-L844 HydrophobicContact CE1-CG 3.82Å; R95-L844 HydrophobicContact CB-CD1 4.44Å; R95-L844 HydrophobicContact CG-CD1 4.44Å; R95-L844 HydrophobicContact CG-CD2 4.38Å; L98-L844 HydrophobicContact CB-CD1 4.3Å; L98-L844 HydrophobicContact CD1-CD2 4.14Å; L99-L844 HydrophobicContact CD2-CD1 3.9Å; L99-L844 HydrophobicContact CG-CD1 3.98Å; I158-L844 HydrophobicContact CD1-CD2 4.33Å; T842-L844 VanDerWaalsContact C-N 3.31Å; T842-L844 PolarHBondContact O-N 3.08Å; L844-S848 VanDerWaalsContact O-CB 3.25Å; L844-S848 WeakPolarHBondContact O-CB 3.12Å; L844-S848 PolarHBondContact O-N 3.33Å; L844-S848 PolarHBondContact O-OG 2.91Å
845E91.7Very high77Confident40 Ų4063.2 Ų63.219%0.18733%0.326CS..Hα-helixtrans-62.5-47.6176.9176.7176.2-137.500111.8F53 T841 T842 L843 Y847 S848 S849F53-E845 HydrophobicContact CB-CB 4.38Å; F53-E845 HydrophobicContact CD1-CB 4.41Å; F53-E845 HydrophobicContact CD2-CB 3.47Å; F53-E845 VanDerWaalsContact CD2-CB 3.47Å; F53-E845 HydrophobicContact CD2-CG 3.48Å; F53-E845 VanDerWaalsContact CD2-CG 3.48Å; F53-E845 HydrophobicContact CE2-CB 3.83Å; F53-E845 HydrophobicContact CE2-CG 3.75Å; F53-E845 HydrophobicContact CG-CB 3.81Å; F53-E845 HydrophobicContact CG-CG 4.3Å; F53-E845 HydrophobicContact CZ-CB 4.44Å; T841-E845 VanDerWaalsContact CB-OE2 3.3Å; T841-E845 WeakPolarHBondContact CB-OE2 3.3Å; T841-E845 PolarHBondContact N-OE2 3.27Å; T841-E845 PolarHBondContact OG1-OE2 3.46Å; T842-E845 PolarHBondContact O-N 3.15Å; T842-E845 WeakPolarHBondContact OG1-CB 3.2Å; T842-E845 PolarHBondContact OG1-N 3.15Å; T842-E845 VanDerWaalsContact OG1-N 3.14Å; L843-E845 PolarHBondContact O-N 3.43Å; E845-Y847 VanDerWaalsContact C-N 3.33Å; E845-Y847 PolarHBondContact O-N 3.48Å; E845-S848 PolarHBondContact O-N 2.75Å; E845-S849 PolarHBondContact O-N 2.83Å; E845-S849 VanDerWaalsContact O-N 3.07Å
846R89.9Confident77.2Confident14 Ų1457.8 Ų57.85%0.05330%0.299CS..Hα-helixtrans-53.7-52.6179.9-176.6168.96587.2-13.2111.5E805 E823 S840 T842 L843 S849E805-R846 IonicContact OE2-NH2 2.76Å; E805-R846 PolarHBondContact OE2-NH2 3.45Å; E823-R846 IonicContact OE1-CZ 3.42Å; E823-R846 IonicContact OE1-NE 3.06Å; E823-R846 PolarHBondContact OE1-NE 2.99Å; E823-R846 IonicContact OE1-NH2 3.15Å; E823-R846 PolarHBondContact OE1-NH2 2.51Å; E823-R846 VanDerWaalsContact OE1-NH2 3.15Å; E823-R846 IonicContact OE2-CZ 3.64Å; E823-R846 IonicContact OE2-NE 2.86Å; E823-R846 IonicContact OE2-NH2 2.72Å; E823-R846 PolarHBondContact OE2-NH2 3.23Å; S840-R846 WeakPolarHBondContact OG-CB 3.48Å; T842-R846 PolarHBondContact O-N 2.95Å; T842-R846 VanDerWaalsContact O-N 3.07Å; L843-R846 VanDerWaalsContact CD1-NH2 3.28Å; L843-R846 PolarHBondContact O-N 2.88Å; R846-S849 WeakPolarHBondContact O-CB 3.4Å; R846-S849 PolarHBondContact O-N 3.12Å; R846-S849 PolarHBondContact O-OG 2.85Å
847Y91.7Very high76.8Confident2 Ų257 Ų571%0.00831%0.305CS..Hα-helixtrans-72.5-28.1-176-86-27.2000113.8L99 E805 A809 L843 E845 S849 S865 W867L99-Y847 HydrophobicContact CD2-CD2 4.15Å; L99-Y847 HydrophobicContact CD2-CG 4.21Å; E805-Y847 PolarHBondContact O-OH 3.19Å; E805-Y847 PolarHBondContact OE2-OH 2.77Å; A809-Y847 HydrophobicContact CB-CE2 4.08Å; L843-Y847 HydrophobicContact CD1-CD2 3.61Å; L843-Y847 HydrophobicContact CD1-CE2 3.28Å; L843-Y847 HydrophobicContact CD1-CG 4.43Å; L843-Y847 HydrophobicContact CD2-CE2 4.29Å; L843-Y847 HydrophobicContact CG-CD2 3.87Å; L843-Y847 HydrophobicContact CG-CE2 3.85Å; L843-Y847 WeakPolarHBondContact O-CB 3.49Å; L843-Y847 PolarHBondContact O-N 2.66Å; L843-Y847 VanDerWaalsContact O-N 3.1Å; E845-Y847 VanDerWaalsContact C-N 3.33Å; E845-Y847 PolarHBondContact O-N 3.48Å; Y847-S849 VanDerWaalsContact C-N 3.31Å; Y847-S865 WeakPolarHBondContact O-CB 3.41Å; Y847-W867 HydrophobicContact CD1-CB 4.24Å; Y847-W867 AromaticContact CD2-CD1 3.97Å; Y847-W867 HydrophobicContact CG-CB 4.14Å; Y847-W867 AromaticContact CG-CD1 3.95Å; Y847-W867 HydrophobicContact CG-CG 4.47Å; Y847-W867 WeakPolarHBondContact O-CB 3.47Å; Y847-W867 PolarHBondContact O-N 3.47Å
848S89.8Confident76.5Confident20 Ų2059.8 Ų59.814%0.1433%0.325CS..Hα-helixtrans-81.4-11.9176.9-52.30000112.9L98 L844 E845L98-S848 PolarHBondContact O-OG 3.17Å; L844-S848 VanDerWaalsContact O-CB 3.25Å; L844-S848 WeakPolarHBondContact O-CB 3.12Å; L844-S848 PolarHBondContact O-N 3.33Å; L844-S848 PolarHBondContact O-OG 2.91Å; E845-S848 PolarHBondContact O-N 2.75Å
849S82.5Confident76.3Confident42 Ų4254.8 Ų54.829%0.29431%0.307SS..SBendtrans-68.2160.6175.279.20000111.6E845 R846 Y847 S865 D866E845-S849 PolarHBondContact O-N 2.83Å; E845-S849 VanDerWaalsContact O-N 3.07Å; R846-S849 WeakPolarHBondContact O-CB 3.4Å; R846-S849 PolarHBondContact O-N 3.12Å; R846-S849 PolarHBondContact O-OG 2.85Å; Y847-S849 VanDerWaalsContact C-N 3.31Å; S849-S865 CarbonylContact O-C 3.55Å; S849-S865 WeakPolarHBondContact O-CA 3.43Å; S849-D866 PolarHBondContact O-N 2.99Å; S849-D866 PolarHBondContact OG-OD2 3.08Å; S849-D866 VanDerWaalsContact OG-OD2 3.09Å
850L81.2Confident76.3Confident77 Ų7758.3 Ų58.340%0.40332%0.321SS..  trans-115.350.3171.3-168.361.6000109.4L852 H853 C864L850-L852 PolarHBondContact O-N 2.9Å; L850-H853 HydrophobicContact CG-CB 4.3Å; L850-H853 PolarHBondContact O-N 3.21Å; L850-C864 HydrophobicContact CD1-CB 4.4Å
851S79.5Confident76.7Confident67 Ų6762.4 Ų62.447%0.46934%0.34SS..THydrogen-bonded Turntrans-71.6-22.1-179.481.60000112.3H853 D866S851-H853 VanDerWaalsContact C-N 3.28Å; S851-H853 PolarHBondContact O-N 2.97Å; S851-D866 PolarHBondContact N-OD1 3.23Å; S851-D866 PolarHBondContact OG-OD1 2.95Å; S851-D866 PolarHBondContact OG-OD2 3.15Å
852L79.4Confident76.7Confident3 Ų366.6 Ų66.62%0.01635%0.354CS..THydrogen-bonded Turntrans-90.124.1177.5-61.6174.3000113.3K710 L713 L850 D854 Y855 D866 L869K710-L852 HydrophobicContact CB-CD2 3.7Å; K710-L852 HydrophobicContact CG-CD2 4.42Å; L713-L852 HydrophobicContact CB-CD1 4.25Å; L713-L852 HydrophobicContact CD2-CD1 4.05Å; L713-L852 HydrophobicContact CD2-CD2 4.29Å; L850-L852 PolarHBondContact O-N 2.9Å; L852-D854 PolarHBondContact O-N 2.89Å; L852-D854 VanDerWaalsContact O-N 3.1Å; L852-Y855 HydrophobicContact CB-CD2 4.29Å; L852-Y855 HydrophobicContact CD2-CD2 4.1Å; L852-Y855 HydrophobicContact CD2-CE2 4.26Å; L852-Y855 WeakPolarHBondContact O-CB 3.48Å; L852-Y855 PolarHBondContact O-N 3.12Å; L852-D866 WeakPolarHBondContact CB-OD1 3.35Å; L852-D866 HydrophobicContact CD1-CB 4.15Å; L852-D866 WeakPolarHBondContact CG-OD1 3.35Å; L852-D866 PolarHBondContact N-OD1 3.23Å; L852-L869 HydrophobicContact CB-CD1 3.55Å; L852-L869 HydrophobicContact CD1-CB 4.36Å; L852-L869 HydrophobicContact CD1-CD1 4.45Å
853H73.4Confident76.3Confident101 Ų10168.4 Ų68.447%0.46837%0.365SS..G310 helixtrans-49.6-41-174.7-178.8-78.7000113.3L850 S851 Y855 C856L850-H853 HydrophobicContact CG-CB 4.3Å; L850-H853 PolarHBondContact O-N 3.21Å; S851-H853 VanDerWaalsContact C-N 3.28Å; S851-H853 PolarHBondContact O-N 2.97Å; H853-Y855 PolarHBondContact O-N 3.08Å; H853-C856 WeakPolarHBondContact O-CB 3.34Å; H853-C856 PolarHBondContact O-N 3.1Å; H853-C856 VanDerWaalsContact O-N 3.07Å
854D72.1Confident76.1Confident154 Ų15469.7 Ų69.782%0.82437%0.374SS*.G310 helixtrans-66-17.9-178.6-61.4-23000114.1L852L852-D854 PolarHBondContact O-N 2.89Å; L852-D854 VanDerWaalsContact O-N 3.1Å
855Y69.5Low75.8Confident93 Ų9369.4 Ų69.437%0.36537%0.372SS..G310 helixtrans-90-4.5177.7-66-94.2000112.8K710 L713 L852 H853K710-Y855 HydrophobicContact CD-CE2 4.38Å; K710-Y855 WeakPolarHBondContact CE-OH 3.04Å; K710-Y855 PolarHBondContact NZ-OH 3.04Å; L713-Y855 HydrophobicContact CD2-CD1 3.63Å; L713-Y855 HydrophobicContact CD2-CD2 4.17Å; L713-Y855 HydrophobicContact CD2-CE1 4.19Å; L713-Y855 HydrophobicContact CD2-CG 3.6Å; L852-Y855 HydrophobicContact CB-CD2 4.29Å; L852-Y855 HydrophobicContact CD2-CD2 4.1Å; L852-Y855 HydrophobicContact CD2-CE2 4.26Å; L852-Y855 WeakPolarHBondContact O-CB 3.48Å; L852-Y855 PolarHBondContact O-N 3.12Å; H853-Y855 PolarHBondContact O-N 3.08Å
856C63.1Low75.8Confident39 Ų3967.5 Ų67.526%0.26436%0.364SS..  trans-90.8111.3179.3-158.10000110.1H853 V858 L869H853-C856 WeakPolarHBondContact O-CB 3.34Å; H853-C856 PolarHBondContact O-N 3.1Å; H853-C856 VanDerWaalsContact O-N 3.07Å; C856-V858 VanDerWaalsContact C-N 3.3Å; C856-L869 HydrophobicContact CB-CD2 4.34Å
857S52.3Low76Confident124 Ų12467.4 Ų67.487%0.86736%0.363SS*.  trans-91.214.6171.557.30000113.3
858V53.9Low75.9Confident92 Ų9269.5 Ų69.556%0.55838%0.376SS*.SBendtrans-116.2137.7-160.3-169.60000112.1C856 K860C856-V858 VanDerWaalsContact C-N 3.3Å; V858-K860 PolarHBondContact O-N 3.33Å
859D56.9Low76Confident91 Ų9169.6 Ų69.649%0.48738%0.375SS..  trans-16.5110.2171.7-161.6-3.5000115.4L861 K862D859-L861 PolarHBondContact O-N 2.84Å; D859-L861 WeakPolarHBondContact OD1-CB 3.32Å; D859-L861 WeakPolarHBondContact OD1-CD1 3.43Å; D859-L861 VanDerWaalsContact OD1-CG 3.3Å; D859-L861 WeakPolarHBondContact OD1-CG 3.11Å; D859-L861 PolarHBondContact OD1-N 2.9Å; D859-K862 PolarHBondContact O-N 3.19Å; D859-K862 VanDerWaalsContact O-N 3.08Å
860K62.3Low76.5Confident169 Ų16967.7 Ų67.774%0.73536%0.362SS*.THydrogen-bonded Turntrans-56.4-9.9177.3-69-172.1177.4-176.70113.4V858 K862V858-K860 PolarHBondContact O-N 3.33Å; K860-K862 VanDerWaalsContact C-N 3.33Å
861L68.4Low77Confident117 Ų11764 Ų6461%0.61334%0.343SS*.THydrogen-bonded Turntrans-77.4-9.7176.8-64.5170.9000114.5H64 D859H64-L861 PolarHBondContact CE1-O 2.94Å; H64-L861 PolarHBondContact NE2-O 3.18Å; D859-L861 PolarHBondContact O-N 2.84Å; D859-L861 WeakPolarHBondContact OD1-CB 3.32Å; D859-L861 WeakPolarHBondContact OD1-CD1 3.43Å; D859-L861 VanDerWaalsContact OD1-CG 3.3Å; D859-L861 WeakPolarHBondContact OD1-CG 3.11Å; D859-L861 PolarHBondContact OD1-N 2.9Å
862K77.6Confident77.6Confident144 Ų14464.2 Ų64.263%0.62634%0.344SS*.SBendtrans-111.6136.3179.8-69.2-176.5-178176.70112.2D859 K860 C864D859-K862 PolarHBondContact O-N 3.19Å; D859-K862 VanDerWaalsContact O-N 3.08Å; K860-K862 VanDerWaalsContact C-N 3.33Å; K862-C864 PolarHBondContact O-N 3.01Å
863P81.9Confident78.1Confident38 Ų3864.2 Ų64.225%0.24734%0.344CS..  trans-63135.1173.424.7-30.2000110.3H64 S100 H102H64-P863 HydrophobicContact CB-CB 3.87Å; H64-P863 HydrophobicContact CB-CG 4.24Å; S100-P863 CarbonylContact O-C 3.57Å; H102-P863 WeakPolarHBondContact CE1-CG 3.38Å; H102-P863 WeakPolarHBondContact NE2-CG 3.23Å
864C86.2Confident79Confident30 Ų3059.5 Ų59.520%0.20332%0.323CS..  trans-146157.9-177.6-170.80000110G101 L850 K862G101-C864 WeakPolarHBondContact CA-O 3.33Å; L850-C864 HydrophobicContact CD1-CB 4.4Å; K862-C864 PolarHBondContact O-N 3.01Å
865S89.4Confident79.9Confident0 Ų054.3 Ų54.30%030%0.295CS..  trans-153.4169.7-177.163.50000110.2L99 Y847 S849 W867 T868 L869L99-S865 WeakPolarHBondContact O-CB 3.3Å; L99-S865 PolarHBondContact O-OG 3.18Å; Y847-S865 WeakPolarHBondContact O-CB 3.41Å; S849-S865 CarbonylContact O-C 3.55Å; S849-S865 WeakPolarHBondContact O-CA 3.43Å; S865-W867 PolarHBondContact O-N 3.12Å; S865-W867 PolarHBondContact OG-N 3.46Å; S865-T868 PolarHBondContact O-N 3.44Å; S865-T868 VanDerWaalsContact O-N 3.12Å; S865-T868 PolarHBondContact OG-N 3.2Å; S865-T868 VanDerWaalsContact OG-N 3.13Å; S865-T868 PolarHBondContact OG-OG1 3.43Å; S865-L869 WeakPolarHBondContact O-CG 2.86Å; S865-L869 PolarHBondContact O-N 2.93Å; S865-L869 VanDerWaalsContact O-N 3.08Å
866D90.6Very high81Confident0 Ų055.5 Ų55.50%030%0.299CS..Hα-helixtrans-56.4-38.1171.6-77.711000111.8S709 S849 S851 L852 L869 C870S709-D866 WeakPolarHBondContact CB-OD2 3.32Å; S709-D866 PolarHBondContact OG-OD2 3.27Å; S849-D866 PolarHBondContact O-N 2.99Å; S849-D866 PolarHBondContact OG-OD2 3.08Å; S849-D866 VanDerWaalsContact OG-OD2 3.09Å; S851-D866 PolarHBondContact N-OD1 3.23Å; S851-D866 PolarHBondContact OG-OD1 2.95Å; S851-D866 PolarHBondContact OG-OD2 3.15Å; L852-D866 WeakPolarHBondContact CB-OD1 3.35Å; L852-D866 HydrophobicContact CD1-CB 4.15Å; L852-D866 WeakPolarHBondContact CG-OD1 3.35Å; L852-D866 PolarHBondContact N-OD1 3.23Å; D866-L869 PolarHBondContact O-N 3.5Å; D866-C870 WeakPolarHBondContact O-CB 3.49Å; D866-C870 PolarHBondContact O-N 2.84Å; D866-C870 PolarHBondContact O-SG 2.96Å
867W93.5Very high82.4Confident13 Ų1353.6 Ų53.65%0.04929%0.286CS..Hα-helixtrans-59.5-46.3174.8-179.886.2000112.4L99 L748 A809 Y847 S865 L869 C870 L871L99-W867 HydrophobicContact CB-CB 4.46Å; L99-W867 HydrophobicContact CB-CD2 3.83Å; L99-W867 HydrophobicContact CB-CE3 4.14Å; L99-W867 HydrophobicContact CB-CG 4Å; L99-W867 HydrophobicContact CD2-CB 4.43Å; L99-W867 HydrophobicContact CD2-CG 4.2Å; L99-W867 WeakPolarHBondContact O-CB 3.46Å; L99-W867 VanDerWaalsContact O-CE3 3.26Å; L748-W867 HydrophobicContact CD2-CH2 3.22Å; L748-W867 HydrophobicContact CD2-CZ2 3.9Å; L748-W867 HydrophobicContact CD2-CZ3 3.9Å; A809-W867 PolarHBondContact O-NE1 2.89Å; Y847-W867 HydrophobicContact CD1-CB 4.24Å; Y847-W867 AromaticContact CD2-CD1 3.97Å; Y847-W867 HydrophobicContact CG-CB 4.14Å; Y847-W867 AromaticContact CG-CD1 3.95Å; Y847-W867 HydrophobicContact CG-CG 4.47Å; Y847-W867 WeakPolarHBondContact O-CB 3.47Å; Y847-W867 PolarHBondContact O-N 3.47Å; S865-W867 PolarHBondContact O-N 3.12Å; S865-W867 PolarHBondContact OG-N 3.46Å; W867-L869 VanDerWaalsContact C-N 3.34Å; W867-L869 PolarHBondContact O-N 2.83Å; W867-C870 PolarHBondContact O-N 2.72Å; W867-L871 HydrophobicContact CD2-CD1 3.74Å; W867-L871 HydrophobicContact CD2-CG 4.47Å; W867-L871 HydrophobicContact CE3-CD1 4.18Å; W867-L871 HydrophobicContact CG-CD1 4.38Å; W867-L871 HydrophobicContact CH2-CD1 3.83Å; W867-L871 HydrophobicContact CZ2-CD1 3.3Å; W867-L871 HydrophobicContact CZ3-CD1 4.22Å; W867-L871 WeakPolarHBondContact O-CB 3.48Å; W867-L871 WeakPolarHBondContact O-CG 3.22Å; W867-L871 PolarHBondContact O-N 3.48Å
868T90.8Very high84.2Confident45 Ų4552.3 Ų52.328%0.27627%0.269SS..Hα-helixtrans-64.2-42.5-179.2-50.90000110.5S865 S872S865-T868 PolarHBondContact O-N 3.44Å; S865-T868 VanDerWaalsContact O-N 3.12Å; S865-T868 PolarHBondContact OG-N 3.2Å; S865-T868 VanDerWaalsContact OG-N 3.13Å; S865-T868 PolarHBondContact OG-OG1 3.43Å; T868-S872 WeakPolarHBondContact O-CB 3.25Å; T868-S872 PolarHBondContact O-N 2.94Å
869L90.8Very high85.8Confident23 Ų2351.4 Ų51.412%0.1226%0.258CS..Hα-helixtrans-66.8-45.8178.5-66.9170000112L852 C856 S865 D866 W867 S872 A873L852-L869 HydrophobicContact CB-CD1 3.55Å; L852-L869 HydrophobicContact CD1-CB 4.36Å; L852-L869 HydrophobicContact CD1-CD1 4.45Å; C856-L869 HydrophobicContact CB-CD2 4.34Å; S865-L869 WeakPolarHBondContact O-CG 2.86Å; S865-L869 PolarHBondContact O-N 2.93Å; S865-L869 VanDerWaalsContact O-N 3.08Å; D866-L869 PolarHBondContact O-N 3.5Å; W867-L869 VanDerWaalsContact C-N 3.34Å; W867-L869 PolarHBondContact O-N 2.83Å; L869-S872 PolarHBondContact O-N 3.38Å; L869-A873 PolarHBondContact O-N 3.42Å
870C92.7Very high87.5Confident2 Ų247.3 Ų47.31%0.01424%0.236CC..Hα-helixtrans-63.3-47.3178-68.20000111.7I712 D866 W867 S872 A873 M874I712-C870 HydrophobicContact CG2-CB 4.13Å; D866-C870 WeakPolarHBondContact O-CB 3.49Å; D866-C870 PolarHBondContact O-N 2.84Å; D866-C870 PolarHBondContact O-SG 2.96Å; W867-C870 PolarHBondContact O-N 2.72Å; C870-S872 VanDerWaalsContact C-N 3.34Å; C870-S872 PolarHBondContact O-N 2.86Å; C870-A873 PolarHBondContact O-N 2.97Å; C870-M874 VanDerWaalsContact O-CG 3.24Å; C870-M874 WeakPolarHBondContact O-CG 3.46Å; C870-M874 PolarHBondContact O-N 3.46Å
871L93.4Very high89Confident0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-65.7-36.9178.3-75-175.1000112.3I744 L748 A809 W867 A873 M874 N875I744-L871 HydrophobicContact CD1-CD2 4.01Å; I744-L871 HydrophobicContact CG1-CD2 4.11Å; I744-L871 HydrophobicContact CG2-CB 4.21Å; I744-L871 HydrophobicContact CG2-CD2 4.13Å; L748-L871 HydrophobicContact CD1-CB 4.14Å; L748-L871 HydrophobicContact CD1-CD1 4.14Å; L748-L871 HydrophobicContact CD2-CD1 3.96Å; L748-L871 HydrophobicContact CG-CD1 4.45Å; A809-L871 HydrophobicContact CB-CD1 4.49Å; A809-L871 HydrophobicContact CB-CD2 3.78Å; A809-L871 HydrophobicContact CB-CG 4.21Å; W867-L871 HydrophobicContact CD2-CD1 3.74Å; W867-L871 HydrophobicContact CD2-CG 4.47Å; W867-L871 HydrophobicContact CE3-CD1 4.18Å; W867-L871 HydrophobicContact CG-CD1 4.38Å; W867-L871 HydrophobicContact CH2-CD1 3.83Å; W867-L871 HydrophobicContact CZ2-CD1 3.3Å; W867-L871 HydrophobicContact CZ3-CD1 4.22Å; W867-L871 WeakPolarHBondContact O-CB 3.48Å; W867-L871 WeakPolarHBondContact O-CG 3.22Å; W867-L871 PolarHBondContact O-N 3.48Å; L871-A873 VanDerWaalsContact C-N 3.33Å; L871-A873 PolarHBondContact O-N 3.28Å; L871-M874 HydrophobicContact CD2-SD 4.14Å; L871-M874 PolarHBondContact O-N 2.93Å; L871-N875 WeakPolarHBondContact O-CB 3.33Å; L871-N875 PolarHBondContact O-N 2.63Å
872S90.4Very high90.2Very high71 Ų7143.5 Ų43.550%0.49722%0.219SC..Hα-helixtrans-59.8-44.1173.9-177.60000111.4T868 L869 C870 N875T868-S872 WeakPolarHBondContact O-CB 3.25Å; T868-S872 PolarHBondContact O-N 2.94Å; L869-S872 PolarHBondContact O-N 3.38Å; C870-S872 VanDerWaalsContact C-N 3.34Å; C870-S872 PolarHBondContact O-N 2.86Å; S872-N875 WeakPolarHBondContact O-CB 3.38Å; S872-N875 PolarHBondContact O-N 2.71Å
873A90.5Very high90.9Very high3 Ų339.7 Ų39.73%0.02520%0.201CC..Hα-helixtrans-62.7-45175.200000112.6L713 A716 N717 L869 C870 L871 N875 R876L713-A873 HydrophobicContact CD1-CB 3.59Å; A716-A873 HydrophobicContact CB-CB 3.92Å; N717-A873 VanDerWaalsContact OD1-CB 3.24Å; N717-A873 WeakPolarHBondContact OD1-CB 3.26Å; L869-A873 PolarHBondContact O-N 3.42Å; C870-A873 PolarHBondContact O-N 2.97Å; L871-A873 VanDerWaalsContact C-N 3.33Å; L871-A873 PolarHBondContact O-N 3.28Å; A873-N875 VanDerWaalsContact C-N 3.26Å; A873-N875 PolarHBondContact O-N 2.71Å; A873-R876 WeakPolarHBondContact O-CB 3.48Å; A873-R876 PolarHBondContact O-N 3.4Å
874M93Very high91.4Very high2 Ų238.2 Ų38.21%0.0119%0.191CC..Hα-helixtrans-65.8-28.3177.2-65.5165.4169.500112.7I712 A716 I744 L802 E805 C806 C870 L871 R876 W877I712-M874 HydrophobicContact CG2-CE 3.27Å; A716-M874 HydrophobicContact CB-CG 4.02Å; I744-M874 HydrophobicContact CD1-CB 3.66Å; L802-M874 HydrophobicContact CD2-CE 4.39Å; E805-M874 HydrophobicContact CB-CE 4Å; C806-M874 PolarHBondContact SG-SD 3.26Å; C870-M874 VanDerWaalsContact O-CG 3.24Å; C870-M874 WeakPolarHBondContact O-CG 3.46Å; C870-M874 PolarHBondContact O-N 3.46Å; L871-M874 HydrophobicContact CD2-SD 4.14Å; L871-M874 PolarHBondContact O-N 2.93Å; M874-R876 PolarHBondContact O-N 2.87Å; M874-W877 HydrophobicContact CB-CE3 4.29Å; M874-W877 HydrophobicContact CB-CH2 3.84Å; M874-W877 HydrophobicContact CB-CZ2 4.19Å; M874-W877 HydrophobicContact CB-CZ3 3.89Å; M874-W877 HydrophobicContact CG-CH2 3.57Å; M874-W877 HydrophobicContact CG-CZ2 3.93Å; M874-W877 HydrophobicContact CG-CZ3 4.1Å; M874-W877 VanDerWaalsContact O-CE3 3.24Å; M874-W877 PolarHBondContact O-N 3.17Å
875N91.7Very high91.7Very high45 Ų4540.5 Ų40.524%0.24120%0.202CC..Hα-helixtrans-66.9-23.5177.8-164.736.2000112.7S741 I744 S745 L871 S872 A873 W877 D878S741-N875 PolarHBondContact O-OD1 3.38Å; S741-N875 PolarHBondContact OG-O 2.87Å; I744-N875 HydrophobicContact CG2-CB 4.26Å; S745-N875 VanDerWaalsContact CB-OD1 3.3Å; S745-N875 WeakPolarHBondContact CB-OD1 3.49Å; L871-N875 WeakPolarHBondContact O-CB 3.33Å; L871-N875 PolarHBondContact O-N 2.63Å; S872-N875 WeakPolarHBondContact O-CB 3.38Å; S872-N875 PolarHBondContact O-N 2.71Å; A873-N875 VanDerWaalsContact C-N 3.26Å; A873-N875 PolarHBondContact O-N 2.71Å; N875-W877 PolarHBondContact O-N 3.43Å; N875-W877 VanDerWaalsContact O-N 3.11Å; N875-D878 PolarHBondContact O-N 3.48Å
876R90.8Very high92Very high117 Ų11743 Ų4344%0.44221%0.211SC..G310 helixtrans-70.5-1179.3-62.7-168.7-74.7178.7-9.7114.8N717 A873 M874 D878 K879N717-R876 VanDerWaalsContact CG-NH2 3.27Å; N717-R876 PolarHBondContact OD1-NH2 3.44Å; A873-R876 WeakPolarHBondContact O-CB 3.48Å; A873-R876 PolarHBondContact O-N 3.4Å; M874-R876 PolarHBondContact O-N 2.87Å; R876-D878 VanDerWaalsContact C-OD1 3.31Å; R876-D878 PolarHBondContact O-N 3.27Å; R876-K879 WeakPolarHBondContact O-CG 3.27Å
877W92.4Very high92.1Very high0 Ų043 Ų430%021%0.211CC..G310 helixtrans-77.4-0.2172.5-54-28.5000113.3A716 S720 L737 L740 L802 M874 N875 K879 F880A716-W877 HydrophobicContact CB-CZ2 3.95Å; A716-W877 PolarHBondContact O-NE1 3.3Å; S720-W877 PolarHBondContact OG-NE1 3.27Å; S720-W877 VanDerWaalsContact OG-NE1 3.1Å; L737-W877 HydrophobicContact CB-CB 3.99Å; L737-W877 HydrophobicContact CB-CD2 3.77Å; L737-W877 HydrophobicContact CB-CE3 3.71Å; L737-W877 HydrophobicContact CB-CG 3.91Å; L737-W877 HydrophobicContact CB-CZ3 4.44Å; L737-W877 HydrophobicContact CD1-CD2 4.5Å; L737-W877 HydrophobicContact CD2-CD2 4.07Å; L737-W877 HydrophobicContact CD2-CE3 3.75Å; L737-W877 HydrophobicContact CD2-CH2 3.8Å; L737-W877 HydrophobicContact CD2-CZ2 4.12Å; L737-W877 HydrophobicContact CD2-CZ3 3.6Å; L737-W877 HydrophobicContact CG-CD2 4.32Å; L737-W877 HydrophobicContact CG-CE3 4.27Å; L740-W877 HydrophobicContact CB-CE3 4.39Å; L740-W877 HydrophobicContact CB-CZ3 4.28Å; L740-W877 HydrophobicContact CD1-CZ3 4.26Å; L802-W877 HydrophobicContact CB-CH2 3.92Å; L802-W877 HydrophobicContact CD1-CH2 4.04Å; L802-W877 HydrophobicContact CD1-CZ2 3.8Å; L802-W877 HydrophobicContact CD2-CH2 4.1Å; L802-W877 HydrophobicContact CD2-CZ2 4.13Å; L802-W877 HydrophobicContact CG-CH2 4.24Å; L802-W877 HydrophobicContact CG-CZ2 4.38Å; M874-W877 HydrophobicContact CB-CE3 4.29Å; M874-W877 HydrophobicContact CB-CH2 3.84Å; M874-W877 HydrophobicContact CB-CZ2 4.19Å; M874-W877 HydrophobicContact CB-CZ3 3.89Å; M874-W877 HydrophobicContact CG-CH2 3.57Å; M874-W877 HydrophobicContact CG-CZ2 3.93Å; M874-W877 HydrophobicContact CG-CZ3 4.1Å; M874-W877 VanDerWaalsContact O-CE3 3.24Å; M874-W877 PolarHBondContact O-N 3.17Å; N875-W877 PolarHBondContact O-N 3.43Å; N875-W877 VanDerWaalsContact O-N 3.11Å; W877-K879 PolarHBondContact O-N 2.84Å; W877-F880 HydrophobicContact CB-CD2 3.91Å; W877-F880 HydrophobicContact CB-CE2 4.29Å; W877-F880 HydrophobicContact CG-CD2 4.4Å; W877-F880 HydrophobicContact CG-CE2 4.33Å; W877-F880 WeakPolarHBondContact O-CB 3.04Å; W877-F880 PolarHBondContact O-N 3.1Å
878D90.3Very high92.1Very high96 Ų9645.3 Ų45.351%0.51323%0.225SC..G310 helixtrans-55.2-31.3171.969-39.1000112Y738 S741 N875 R876 F880 K881Y738-D878 WeakPolarHBondContact CD2-O 3.47Å; Y738-D878 WeakPolarHBondContact CE2-O 3.25Å; S741-D878 WeakPolarHBondContact OG-CA 3.24Å; S741-D878 WeakPolarHBondContact OG-CB 3.32Å; S741-D878 PolarHBondContact OG-N 3.47Å; S741-D878 VanDerWaalsContact OG-N 3.08Å; N875-D878 PolarHBondContact O-N 3.48Å; R876-D878 VanDerWaalsContact C-OD1 3.31Å; R876-D878 PolarHBondContact O-N 3.27Å; D878-F880 PolarHBondContact O-N 3.28Å; D878-K881 WeakPolarHBondContact O-CB 3.15Å; D878-K881 PolarHBondContact O-N 3.04Å; D878-K881 VanDerWaalsContact O-N 3.1Å
879K89.2Confident92.1Very high74 Ų7445.5 Ų45.532%0.32223%0.226SC..G310 helixtrans-55.3-21.6172.676.2177.3-164.6151.80114.1S720 D722 R876 W877 K881S720-K879 VanDerWaalsContact C-NZ 3.34Å; S720-K879 WeakPolarHBondContact O-CE 3.44Å; S720-K879 PolarHBondContact O-NZ 3.48Å; D722-K879 VanDerWaalsContact CG-NZ 3.33Å; D722-K879 IonicContact OD1-NZ 3.38Å; D722-K879 PolarHBondContact OD1-NZ 2.94Å; D722-K879 IonicContact OD2-NZ 3.97Å; D722-K879 PolarHBondContact OD2-NZ 3.17Å; R876-K879 WeakPolarHBondContact O-CG 3.27Å; W877-K879 PolarHBondContact O-N 2.84Å; K879-K881 VanDerWaalsContact C-N 3.26Å; K879-K881 PolarHBondContact O-N 3.35Å
880F91.9Very high92.2Very high4 Ų444.4 Ų44.42%0.01822%0.22CC..G310 helixtrans-849.7179.4-62.4-39.2000114.8V719 K734 L737 W877 D878 N882 Y883 S884V719-F880 HydrophobicContact CG1-CE2 4.29Å; V719-F880 WeakPolarHBondContact O-CZ 3.42Å; K734-F880 HydrophobicContact CB-CB 4.03Å; K734-F880 HydrophobicContact CB-CD1 4.07Å; K734-F880 HydrophobicContact CB-CD2 4.09Å; K734-F880 HydrophobicContact CB-CG 3.81Å; K734-F880 HydrophobicContact CD-CD1 3.89Å; K734-F880 HydrophobicContact CD-CE1 3.85Å; K734-F880 HydrophobicContact CD-CG 4.48Å; K734-F880 HydrophobicContact CD-CZ 4.42Å; K734-F880 HydrophobicContact CG-CD1 3.93Å; K734-F880 HydrophobicContact CG-CD2 4.19Å; K734-F880 HydrophobicContact CG-CE1 3.95Å; K734-F880 HydrophobicContact CG-CE2 4.22Å; K734-F880 HydrophobicContact CG-CG 4.06Å; K734-F880 HydrophobicContact CG-CZ 4.1Å; K734-F880 WeakPolarHBondContact O-CB 3.47Å; L737-F880 HydrophobicContact CB-CD2 4.19Å; L737-F880 HydrophobicContact CD1-CE2 4.22Å; W877-F880 HydrophobicContact CB-CD2 3.91Å; W877-F880 HydrophobicContact CB-CE2 4.29Å; W877-F880 HydrophobicContact CG-CD2 4.4Å; W877-F880 HydrophobicContact CG-CE2 4.33Å; W877-F880 WeakPolarHBondContact O-CB 3.04Å; W877-F880 PolarHBondContact O-N 3.1Å; D878-F880 PolarHBondContact O-N 3.28Å; F880-N882 VanDerWaalsContact C-N 3.26Å; F880-N882 PolarHBondContact O-N 2.83Å; F880-N882 VanDerWaalsContact O-N 3.11Å; F880-Y883 HydrophobicContact CB-CD2 4.12Å; F880-Y883 AromaticContact CD1-CD2 3.96Å; F880-Y883 HydrophobicContact CD1-CD2 3.96Å; F880-Y883 AromaticContact CD1-CE2 3.98Å; F880-Y883 HydrophobicContact CD1-CE2 3.98Å; F880-Y883 HydrophobicContact CG-CD2 4.43Å; F880-Y883 WeakPolarHBondContact O-CB 3.44Å; F880-Y883 PolarHBondContact O-N 3.41Å; F880-S884 PolarHBondContact O-N 3.26Å
881K93.5Very high92.2Very high113 Ų11345.1 Ų45.149%0.49123%0.225SC..Hα-helixtrans-43.7-46.8179-176.5168.4-177.6178.80114.6Y738 D878 K879 Y883 S884 N885Y738-K881 HydrophobicContact CD2-CB 3.88Å; Y738-K881 VanDerWaalsContact CD2-N 3.31Å; Y738-K881 HydrophobicContact CE1-CG 4.46Å; Y738-K881 VanDerWaalsContact CE2-CA 3.41Å; Y738-K881 HydrophobicContact CE2-CB 3.41Å; Y738-K881 VanDerWaalsContact CE2-CB 3.41Å; Y738-K881 HydrophobicContact CE2-CD 4.33Å; Y738-K881 HydrophobicContact CE2-CG 3.8Å; D878-K881 WeakPolarHBondContact O-CB 3.15Å; D878-K881 PolarHBondContact O-N 3.04Å; D878-K881 VanDerWaalsContact O-N 3.1Å; K879-K881 VanDerWaalsContact C-N 3.26Å; K879-K881 PolarHBondContact O-N 3.35Å; K881-Y883 VanDerWaalsContact C-N 3.32Å; K881-Y883 PolarHBondContact O-N 3.12Å; K881-S884 WeakPolarHBondContact O-CB 3.24Å; K881-S884 PolarHBondContact O-N 3.15Å; K881-N885 PolarHBondContact O-N 2.93Å
882N92.9Very high92Very high93 Ų9348 Ų4850%0.49725%0.246SC..Hα-helixtrans-62.7-37.9-177.3-68.2-20.6000112.3F880 S884 N885 Y886F880-N882 VanDerWaalsContact C-N 3.26Å; F880-N882 PolarHBondContact O-N 2.83Å; F880-N882 VanDerWaalsContact O-N 3.11Å; N882-S884 VanDerWaalsContact C-N 3.34Å; N882-S884 PolarHBondContact O-N 3.5Å; N882-N885 WeakPolarHBondContact O-CB 3.28Å; N882-N885 PolarHBondContact O-N 3.12Å; N882-Y886 HydrophobicContact CB-CE2 4.16Å; N882-Y886 VanDerWaalsContact O-CD1 3.31Å; N882-Y886 WeakPolarHBondContact O-CD1 3.27Å; N882-Y886 WeakPolarHBondContact O-CD2 3.36Å; N882-Y886 PolarHBondContact O-N 3.01Å
883Y92.7Very high92.1Very high65 Ų6544.7 Ų44.726%0.25522%0.222SC..Hα-helixtrans-66.8-35.6179-62.2-79.8000112.3A731 K734 F880 K881 Y886 V887 A935A731-Y883 HydrophobicContact CB-CD1 3.67Å; A731-Y883 HydrophobicContact CB-CE1 4.38Å; K734-Y883 HydrophobicContact CB-CD2 3.98Å; K734-Y883 HydrophobicContact CB-CG 3.92Å; K734-Y883 HydrophobicContact CD-CD1 4.16Å; K734-Y883 HydrophobicContact CD-CD2 3.76Å; K734-Y883 HydrophobicContact CD-CE1 4.02Å; K734-Y883 HydrophobicContact CD-CE2 3.64Å; K734-Y883 HydrophobicContact CD-CG 4.01Å; K734-Y883 HydrophobicContact CG-CD2 4.47Å; F880-Y883 HydrophobicContact CB-CD2 4.12Å; F880-Y883 AromaticContact CD1-CD2 3.96Å; F880-Y883 HydrophobicContact CD1-CD2 3.96Å; F880-Y883 AromaticContact CD1-CE2 3.98Å; F880-Y883 HydrophobicContact CD1-CE2 3.98Å; F880-Y883 HydrophobicContact CG-CD2 4.43Å; F880-Y883 WeakPolarHBondContact O-CB 3.44Å; F880-Y883 PolarHBondContact O-N 3.41Å; K881-Y883 VanDerWaalsContact C-N 3.32Å; K881-Y883 PolarHBondContact O-N 3.12Å; Y883-Y886 HydrophobicContact CD1-CD2 4.24Å; Y883-Y886 PolarHBondContact O-N 2.91Å; Y883-V887 WeakPolarHBondContact O-CG2 3.46Å; Y883-V887 PolarHBondContact O-N 3.35Å; Y883-A935 HydrophobicContact CD1-CB 4.44Å; Y883-A935 HydrophobicContact CE1-CB 4.29Å
884S92.9Very high92.1Very high7 Ų745 Ų455%0.04922%0.223CC..Hα-helixtrans-61.2-45.4173.3-175.90000111.6F880 K881 N882 Y886 V887 N888F880-S884 PolarHBondContact O-N 3.26Å; K881-S884 WeakPolarHBondContact O-CB 3.24Å; K881-S884 PolarHBondContact O-N 3.15Å; N882-S884 VanDerWaalsContact C-N 3.34Å; N882-S884 PolarHBondContact O-N 3.5Å; S884-Y886 VanDerWaalsContact C-N 3.32Å; S884-Y886 PolarHBondContact O-N 2.97Å; S884-V887 PolarHBondContact O-N 2.87Å; S884-N888 WeakPolarHBondContact O-CB 3.38Å; S884-N888 VanDerWaalsContact O-CG 3.25Å; S884-N888 PolarHBondContact O-N 3.48Å; S884-N888 PolarHBondContact O-ND2 2.83Å
885N93.1Very high91.9Very high78 Ų7849.7 Ų49.742%0.41724%0.244SC..Hα-helixtrans-59.6-43.4175-66.9-19.8000111.6K881 N882 V887 N888 T889K881-N885 PolarHBondContact O-N 2.93Å; N882-N885 WeakPolarHBondContact O-CB 3.28Å; N882-N885 PolarHBondContact O-N 3.12Å; N885-V887 PolarHBondContact O-N 3.42Å; N885-N888 PolarHBondContact O-N 3.26Å; N885-T889 PolarHBondContact O-N 3.2Å; N885-T889 PolarHBondContact O-OG1 2.92Å; N885-T889 VanDerWaalsContact O-OG1 3.06Å
886Y94.5Very high91.8Very high52 Ų5249.6 Ų49.620%0.20425%0.247CC..Hα-helixtrans-60.4-47.3178.6-60.6-19.8000112.5N882 Y883 S884 N888 T889 A890 M932 A935N882-Y886 HydrophobicContact CB-CE2 4.16Å; N882-Y886 VanDerWaalsContact O-CD1 3.31Å; N882-Y886 WeakPolarHBondContact O-CD1 3.27Å; N882-Y886 WeakPolarHBondContact O-CD2 3.36Å; N882-Y886 PolarHBondContact O-N 3.01Å; Y883-Y886 HydrophobicContact CD1-CD2 4.24Å; Y883-Y886 PolarHBondContact O-N 2.91Å; S884-Y886 VanDerWaalsContact C-N 3.32Å; S884-Y886 PolarHBondContact O-N 2.97Å; Y886-N888 PolarHBondContact O-N 3.49Å; Y886-T889 PolarHBondContact O-N 3.5Å; Y886-A890 PolarHBondContact O-N 2.97Å; Y886-M932 HydrophobicContact CD1-CB 3.63Å; Y886-M932 HydrophobicContact CD1-CG 4.12Å; Y886-M932 HydrophobicContact CE1-CB 4.25Å; Y886-M932 HydrophobicContact CG-CB 3.93Å; Y886-M932 HydrophobicContact CG-CG 4.1Å; Y886-A935 HydrophobicContact CD2-CB 3.66Å; Y886-A935 HydrophobicContact CE2-CB 3.91Å
887V94.1Very high91.7Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-63.9-41.4178.7171.50000111.3L732 A735 Y770 V774 Y883 S884 N885 A890 S891 L936 I952L732-V887 HydrophobicContact CD2-CG1 3.76Å; L732-V887 HydrophobicContact CD2-CG2 4.03Å; A735-V887 HydrophobicContact CB-CB 4.04Å; A735-V887 HydrophobicContact CB-CG1 4.48Å; A735-V887 HydrophobicContact CB-CG2 3.75Å; Y770-V887 WeakPolarHBondContact OH-CG1 3.34Å; V774-V887 HydrophobicContact CG1-CG1 3.9Å; Y883-V887 WeakPolarHBondContact O-CG2 3.46Å; Y883-V887 PolarHBondContact O-N 3.35Å; S884-V887 PolarHBondContact O-N 2.87Å; N885-V887 PolarHBondContact O-N 3.42Å; V887-A890 PolarHBondContact O-N 3.4Å; V887-S891 WeakPolarHBondContact O-CB 3.42Å; V887-S891 PolarHBondContact O-N 3.24Å; V887-L936 HydrophobicContact CG2-CD2 4Å; V887-I952 HydrophobicContact CG1-CD1 4.28Å; V887-I952 HydrophobicContact CG2-CD1 4.4Å
888N92.2Very high91.4Very high62 Ų6246.1 Ų46.133%0.33224%0.237SC..Hα-helixtrans-64.5-40.8178.3-71.4-27.3000112.2Y770 S884 N885 Y886 S891 S892Y770-N888 WeakPolarHBondContact CE2-OD1 3.41Å; S884-N888 WeakPolarHBondContact O-CB 3.38Å; S884-N888 VanDerWaalsContact O-CG 3.25Å; S884-N888 PolarHBondContact O-N 3.48Å; S884-N888 PolarHBondContact O-ND2 2.83Å; N885-N888 PolarHBondContact O-N 3.26Å; Y886-N888 PolarHBondContact O-N 3.49Å; N888-S891 PolarHBondContact O-N 2.82Å; N888-S892 WeakPolarHBondContact O-CB 3.43Å; N888-S892 PolarHBondContact O-N 3.3Å; N888-S892 PolarHBondContact O-OG 3.33Å
889T92.2Very high91.2Very high49 Ų4947.2 Ų47.230%0.30124%0.243SC..Hα-helixtrans-64.3-43.2174.8-58.30000111.2N885 Y886 S891 S892 L893 M932N885-T889 PolarHBondContact O-N 3.2Å; N885-T889 PolarHBondContact O-OG1 2.92Å; N885-T889 VanDerWaalsContact O-OG1 3.06Å; Y886-T889 PolarHBondContact O-N 3.5Å; T889-S891 PolarHBondContact O-N 3.3Å; T889-S892 WeakPolarHBondContact O-CB 3.46Å; T889-S892 PolarHBondContact O-N 3.15Å; T889-L893 PolarHBondContact O-N 3.26Å; T889-M932 VanDerWaalsContact CB-SD 3.5Å; T889-M932 HydrophobicContact CG2-CE 4.43Å; T889-M932 HydrophobicContact CG2-SD 3.42Å; T889-M932 WeakPolarHBondContact CG2-SD 3.46Å
890A92.5Very high91.1Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-65.4-37.8176.300000113.1Y886 V887 S892 L893 F894 L936 L949 I952Y886-A890 PolarHBondContact O-N 2.97Å; V887-A890 PolarHBondContact O-N 3.4Å; A890-S892 VanDerWaalsContact C-N 3.35Å; A890-L893 WeakPolarHBondContact O-CB 3.4Å; A890-L893 PolarHBondContact O-N 3.45Å; A890-F894 PolarHBondContact O-N 3.04Å; A890-L936 HydrophobicContact CB-CD1 3.53Å; A890-L949 HydrophobicContact CB-CD1 3.72Å; A890-I952 HydrophobicContact CB-CD1 3.97Å; A890-I952 HydrophobicContact CB-CG2 3.97Å
891S91.1Very high90.7Very high16 Ų1647.2 Ų47.211%0.11225%0.252CS..Hα-helixtrans-65.6-39.2173.5-178.80000111.5V887 N888 T889 F894 H895V887-S891 WeakPolarHBondContact O-CB 3.42Å; V887-S891 PolarHBondContact O-N 3.24Å; N888-S891 PolarHBondContact O-N 2.82Å; T889-S891 PolarHBondContact O-N 3.3Å; S891-F894 WeakPolarHBondContact O-CB 3.47Å; S891-F894 PolarHBondContact O-N 3.19Å; S891-H895 PolarHBondContact O-CD2 3.16Å; S891-H895 PolarHBondContact O-N 3.04Å; S891-H895 VanDerWaalsContact O-N 3.08Å
892S90.7Very high90.1Very high62 Ų6244 Ų4443%0.43424%0.243SC..Hα-helixtrans-65.4-38.9174.7-58.50000112N888 T889 A890 H895 S896N888-S892 WeakPolarHBondContact O-CB 3.43Å; N888-S892 PolarHBondContact O-N 3.3Å; N888-S892 PolarHBondContact O-OG 3.33Å; T889-S892 WeakPolarHBondContact O-CB 3.46Å; T889-S892 PolarHBondContact O-N 3.15Å; A890-S892 VanDerWaalsContact C-N 3.35Å; S892-H895 PolarHBondContact O-N 2.92Å; S892-S896 WeakPolarHBondContact O-CB 3.39Å; S892-S896 PolarHBondContact O-N 2.81Å; S892-S896 PolarHBondContact O-OG 3.24Å
893L91.9Very high89.3Confident0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-59.5-47.8172.1173.462.2000110.9T889 A890 H895 S896 L897 I921 L953 I980 M983 V985T889-L893 PolarHBondContact O-N 3.26Å; A890-L893 WeakPolarHBondContact O-CB 3.4Å; A890-L893 PolarHBondContact O-N 3.45Å; L893-H895 VanDerWaalsContact C-N 3.34Å; L893-H895 PolarHBondContact O-N 2.62Å; L893-S896 PolarHBondContact O-N 2.64Å; L893-L897 HydrophobicContact CD1-CD1 3.98Å; L893-L897 HydrophobicContact CD1-CG 4Å; L893-L897 HydrophobicContact CG-CD1 3.97Å; L893-L897 HydrophobicContact CG-CG 4.42Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 3.06Å; L893-I921 HydrophobicContact CD2-CD1 3.96Å; L893-L953 HydrophobicContact CD2-CD2 4.48Å; L893-L953 HydrophobicContact CG-CD2 4.43Å; L893-I980 HydrophobicContact CD1-CB 4.15Å; L893-I980 HydrophobicContact CD1-CD1 4.09Å; L893-I980 HydrophobicContact CD1-CG2 3.93Å; L893-M983 HydrophobicContact CD1-CE 4.16Å; L893-M983 HydrophobicContact CD2-CE 4.18Å; L893-M983 HydrophobicContact CD2-SD 4.11Å; L893-V985 HydrophobicContact CD1-CG2 4.16Å
894F90.7Very high88.1Confident9 Ų949.2 Ų49.24%0.03928%0.284CS..Hα-helixtrans-54.2-49.8176.5173.2-103.8000112.2A890 S891 S896 L897 I898 G912 L914 L953A890-F894 PolarHBondContact O-N 3.04Å; S891-F894 WeakPolarHBondContact O-CB 3.47Å; S891-F894 PolarHBondContact O-N 3.19Å; F894-S896 VanDerWaalsContact C-N 3.34Å; F894-S896 PolarHBondContact O-N 2.96Å; F894-L897 PolarHBondContact O-N 2.66Å; F894-I898 HydrophobicContact CD2-CG1 4.12Å; F894-I898 HydrophobicContact CE1-CG1 3.95Å; F894-I898 HydrophobicContact CE2-CD1 3.83Å; F894-I898 HydrophobicContact CE2-CG1 3.5Å; F894-I898 VanDerWaalsContact CE2-CG1 3.5Å; F894-I898 HydrophobicContact CZ-CD1 3.91Å; F894-I898 HydrophobicContact CZ-CG1 3.36Å; F894-I898 WeakPolarHBondContact O-CG1 3.33Å; F894-I898 PolarHBondContact O-N 3.26Å; F894-G912 WeakPolarHBondContact CZ-O 3.39Å; F894-L914 HydrophobicContact CD2-CD1 4.28Å; F894-L914 HydrophobicContact CE2-CD1 4.39Å; F894-L914 HydrophobicContact CE2-CG 4.34Å; F894-L953 HydrophobicContact CB-CD2 3.59Å; F894-L953 HydrophobicContact CD2-CB 4.42Å; F894-L953 HydrophobicContact CD2-CD2 4.33Å; F894-L953 VanDerWaalsContact CD2-O 3.26Å; F894-L953 WeakPolarHBondContact CD2-O 3.34Å; F894-L953 WeakPolarHBondContact CE2-O 3.3Å; F894-L953 HydrophobicContact CG-CD2 4.45Å
895H88.2Confident87Confident101 Ų10151.7 Ų51.747%0.46830%0.295SS..Hα-helixtrans-64-39.7179.7-73.9-60.9000112.5S891 S892 L893 I898 N899S891-H895 PolarHBondContact O-CD2 3.16Å; S891-H895 PolarHBondContact O-N 3.04Å; S891-H895 VanDerWaalsContact O-N 3.08Å; S892-H895 PolarHBondContact O-N 2.92Å; L893-H895 VanDerWaalsContact C-N 3.34Å; L893-H895 PolarHBondContact O-N 2.62Å; H895-I898 PolarHBondContact O-N 3.42Å; H895-N899 WeakPolarHBondContact O-CB 3.45Å; H895-N899 VanDerWaalsContact O-CG 3.24Å; H895-N899 PolarHBondContact O-N 2.82Å; H895-N899 PolarHBondContact O-ND2 3.24Å
896S90.1Very high85.7Confident43 Ų4357.7 Ų57.730%0.30132%0.321SS..Hα-helixtrans-63.5-42.9177.4-570000111.6S892 L893 F894 N899 S900S892-S896 WeakPolarHBondContact O-CB 3.39Å; S892-S896 PolarHBondContact O-N 2.81Å; S892-S896 PolarHBondContact O-OG 3.24Å; L893-S896 PolarHBondContact O-N 2.64Å; F894-S896 VanDerWaalsContact C-N 3.34Å; F894-S896 PolarHBondContact O-N 2.96Å; S896-N899 PolarHBondContact O-N 2.76Å; S896-S900 WeakPolarHBondContact O-CB 3.36Å; S896-S900 PolarHBondContact O-N 2.68Å; S896-S900 PolarHBondContact O-OG 3.03Å
897L89.2Confident84.4Confident0 Ų058.1 Ų58.10%032%0.322CS..Hα-helixtrans-62.9-50.4176.4-71.2170000111.8L893 F894 N899 S900 L901 L914 L953 F978 I980 V985 V987L893-L897 HydrophobicContact CD1-CD1 3.98Å; L893-L897 HydrophobicContact CD1-CG 4Å; L893-L897 HydrophobicContact CG-CD1 3.97Å; L893-L897 HydrophobicContact CG-CG 4.42Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 3.06Å; F894-L897 PolarHBondContact O-N 2.66Å; L897-N899 VanDerWaalsContact C-N 3.26Å; L897-N899 PolarHBondContact O-N 2.65Å; L897-S900 PolarHBondContact O-N 3.18Å; L897-S900 VanDerWaalsContact O-N 3.1Å; L897-L901 WeakPolarHBondContact O-CG 3.49Å; L897-L901 PolarHBondContact O-N 3.14Å; L897-L914 HydrophobicContact CD1-CD1 4.33Å; L897-L953 HydrophobicContact CD1-CD1 4.43Å; L897-F978 HydrophobicContact CD2-CB 4.43Å; L897-F978 HydrophobicContact CD2-CD2 3.62Å; L897-F978 HydrophobicContact CD2-CE2 4.19Å; L897-F978 HydrophobicContact CD2-CG 4.21Å; L897-I980 HydrophobicContact CD2-CD1 3.58Å; L897-I980 HydrophobicContact CG-CD1 3.98Å; L897-V985 HydrophobicContact CD1-CG1 4.09Å; L897-V985 HydrophobicContact CD2-CB 4.14Å; L897-V985 HydrophobicContact CD2-CG1 3.77Å; L897-V987 HydrophobicContact CD2-CG2 4.02Å
898I85.9Confident83Confident45 Ų4559 Ų5923%0.23133%0.327CS..Hα-helixtrans-60.5-37.3-179.9-68.8-62.7000112F894 H895 S900 L901 L914F894-I898 HydrophobicContact CD2-CG1 4.12Å; F894-I898 HydrophobicContact CE1-CG1 3.95Å; F894-I898 HydrophobicContact CE2-CD1 3.83Å; F894-I898 HydrophobicContact CE2-CG1 3.5Å; F894-I898 VanDerWaalsContact CE2-CG1 3.5Å; F894-I898 HydrophobicContact CZ-CD1 3.91Å; F894-I898 HydrophobicContact CZ-CG1 3.36Å; F894-I898 WeakPolarHBondContact O-CG1 3.33Å; F894-I898 PolarHBondContact O-N 3.26Å; H895-I898 PolarHBondContact O-N 3.42Å; I898-S900 VanDerWaalsContact C-N 3.34Å; I898-L901 HydrophobicContact CD1-CD1 4.46Å; I898-L914 HydrophobicContact CD1-CD2 4.06Å; I898-L914 HydrophobicContact CD1-CG 4.07Å
899N85.6Confident81.5Confident119 Ų11958.3 Ų58.364%0.63633%0.326SS*.Hα-helixtrans-73.6-27178.5-72.4-22.5000113.1H895 S896 L897H895-N899 WeakPolarHBondContact O-CB 3.45Å; H895-N899 VanDerWaalsContact O-CG 3.24Å; H895-N899 PolarHBondContact O-N 2.82Å; H895-N899 PolarHBondContact O-ND2 3.24Å; S896-N899 PolarHBondContact O-N 2.76Å; L897-N899 VanDerWaalsContact C-N 3.26Å; L897-N899 PolarHBondContact O-N 2.65Å
900S86.4Confident79.8Confident65 Ų6561.7 Ų61.746%0.45535%0.352SS..Hα-helixtrans-89.2-18-177.7-53.90000113.4S896 L897 I898S896-S900 WeakPolarHBondContact O-CB 3.36Å; S896-S900 PolarHBondContact O-N 2.68Å; S896-S900 PolarHBondContact O-OG 3.03Å; L897-S900 PolarHBondContact O-N 3.18Å; L897-S900 VanDerWaalsContact O-N 3.1Å; I898-S900 VanDerWaalsContact C-N 3.34Å
901L85.3Confident77.8Confident13 Ų1367.2 Ų67.27%0.06839%0.385CS..SBendtrans-68.8143.7178.7-80.5165.9000112.2L897 I898 K903 L914 Y976 F978 V987 F989L897-L901 WeakPolarHBondContact O-CG 3.49Å; L897-L901 PolarHBondContact O-N 3.14Å; I898-L901 HydrophobicContact CD1-CD1 4.46Å; L901-K903 PolarHBondContact O-N 2.91Å; L901-L914 HydrophobicContact CD1-CD2 3.64Å; L901-Y976 HydrophobicContact CD2-CD2 3.81Å; L901-Y976 HydrophobicContact CD2-CG 4.04Å; L901-F978 HydrophobicContact CD2-CE2 4.06Å; L901-F978 HydrophobicContact CD2-CZ 3.81Å; L901-F978 HydrophobicContact CG-CE2 4.44Å; L901-F978 HydrophobicContact CG-CZ 4.12Å; L901-V987 HydrophobicContact CD2-CG1 4.43Å; L901-F989 HydrophobicContact CD1-CE2 4.46Å; L901-F989 HydrophobicContact CD1-CZ 4.19Å; L901-F989 HydrophobicContact CD2-CE2 3.89Å; L901-F989 HydrophobicContact CD2-CZ 4.41Å
902P80.4Confident76.2Confident46 Ų4667.9 Ų67.930%0.29940%0.395SS..PPolyproline II helixtrans-58.3134.8175.4-19.630.1000111.5E905 I908 Y976P902-E905 HydrophobicContact CB-CG 4.41Å; P902-I908 HydrophobicContact CB-CD1 4.42Å; P902-I908 HydrophobicContact CG-CD1 4.44Å; P902-Y976 HydrophobicContact CG-CD1 4.01Å; P902-Y976 HydrophobicContact CG-CE1 3.51Å
903K75.8Confident75Confident187 Ų18766.7 Ų66.781%0.81339%0.386SS*.SBendtrans-94.4131.8175.8-64.9-178.2-178.11750109.6L901L901-K903 PolarHBondContact O-N 2.91Å
904G67.7Low74.4Confident79 Ų7966.8 Ų66.881%0.81439%0.386SS*.SBendtrans103.72.2170.200000116
905E70Confident73.7Confident60 Ų6067.7 Ų67.728%0.2839%0.394SS..  trans-79.8137.8172.9-64.8-170.4162.500111.7P902 Y907 I908 Y976P902-E905 HydrophobicContact CB-CG 4.41Å; E905-Y907 VanDerWaalsContact C-N 3.29Å; E905-Y907 HydrophobicContact CB-CE1 4.32Å; E905-Y907 HydrophobicContact CB-CE2 4.3Å; E905-Y907 PolarHBondContact O-N 3.41Å; E905-Y907 PolarHBondContact OE1-OH 2.91Å; E905-Y907 WeakPolarHBondContact OE2-CE2 3.39Å; E905-Y907 PolarHBondContact OE2-OH 3.28Å; E905-I908 HydrophobicContact CB-CB 4.35Å; E905-I908 HydrophobicContact CB-CD1 4.1Å; E905-I908 HydrophobicContact CB-CG1 4.08Å; E905-I908 PolarHBondContact O-N 2.97Å; E905-I908 VanDerWaalsContact OE2-CD1 3.32Å; E905-I908 WeakPolarHBondContact OE2-CD1 3.3Å; E905-Y976 VanDerWaalsContact CD-OH 3.23Å; E905-Y976 PolarHBondContact OE1-OH 3.42Å; E905-Y976 PolarHBondContact OE2-OH 3.18Å
906E66.1Low73.3Confident203 Ų20363.2 Ų63.295%0.94937%0.374SS*.THydrogen-bonded Turntrans-63.8-31.4-168.8-152.8173.4-159.500113.5
907Y66.2Low73Confident61 Ų6161.1 Ų61.124%0.23936%0.359CS..THydrogen-bonded Turntrans-86.9-9.9177.452-96.9000114E905 L973 Y976 F989 L991E905-Y907 VanDerWaalsContact C-N 3.29Å; E905-Y907 HydrophobicContact CB-CE1 4.32Å; E905-Y907 HydrophobicContact CB-CE2 4.3Å; E905-Y907 PolarHBondContact O-N 3.41Å; E905-Y907 PolarHBondContact OE1-OH 2.91Å; E905-Y907 WeakPolarHBondContact OE2-CE2 3.39Å; E905-Y907 PolarHBondContact OE2-OH 3.28Å; Y907-L973 HydrophobicContact CE1-CD1 4.35Å; Y907-L973 WeakPolarHBondContact OH-CD1 3.45Å; Y907-Y976 HydrophobicContact CE2-CE2 4.28Å; Y907-Y976 PolarHBondContact OH-OH 3.22Å; Y907-F989 HydrophobicContact CD2-CB 4.04Å; Y907-F989 HydrophobicContact CD2-CG 4.4Å; Y907-L991 HydrophobicContact CD1-CD2 4.33Å; Y907-L991 HydrophobicContact CE1-CD2 4.31Å
908I65Low73Confident18 Ų1863.8 Ų63.89%0.09237%0.373CS..SBendtrans-97116.6173.8-57.3-177.5000107.7P902 E905 S910 Y976 F989P902-I908 HydrophobicContact CB-CD1 4.42Å; P902-I908 HydrophobicContact CG-CD1 4.44Å; E905-I908 HydrophobicContact CB-CB 4.35Å; E905-I908 HydrophobicContact CB-CD1 4.1Å; E905-I908 HydrophobicContact CB-CG1 4.08Å; E905-I908 PolarHBondContact O-N 2.97Å; E905-I908 VanDerWaalsContact OE2-CD1 3.32Å; E905-I908 WeakPolarHBondContact OE2-CD1 3.3Å; I908-S910 PolarHBondContact O-N 3.06Å; I908-S910 VanDerWaalsContact O-N 3.16Å; I908-Y976 HydrophobicContact CD1-CE2 3.73Å; I908-F989 HydrophobicContact CD1-CE2 4.24Å; I908-F989 HydrophobicContact CG1-CD2 4.19Å; I908-F989 HydrophobicContact CG1-CE1 4.46Å; I908-F989 HydrophobicContact CG1-CE2 4.06Å; I908-F989 HydrophobicContact CG1-CG 4.46Å; I908-F989 HydrophobicContact CG1-CZ 4.2Å; I908-F989 HydrophobicContact CG2-CE1 4.48Å; I908-F989 HydrophobicContact CG2-CZ 4.17Å
909P60.9Low73.2Confident48 Ų4861.7 Ų61.731%0.31236%0.363SS..  trans-55126.8-179.4-23.231.7000111.4T911P909-T911 PolarHBondContact O-N 2.55Å
910S56.3Low73.5Confident121 Ų12158.7 Ų58.785%0.84635%0.345SS*.SBendtrans-57.4-17.4-176.660.90000114.4I908I908-S910 PolarHBondContact O-N 3.06Å; I908-S910 VanDerWaalsContact O-N 3.16Å
911T50.5Low73.8Confident115 Ų11555.6 Ų55.671%0.70632%0.323SS*.SBendtrans-143.887.2178.7570000112P909 P913P909-T911 PolarHBondContact O-N 2.55Å; T911-P913 WeakPolarHBondContact O-CD 3.39Å
912G56.3Low74.1Confident30 Ų3056 Ų5631%0.30933%0.326SS..SBend95.2-3.8129.100000122.6F894 R954F894-G912 WeakPolarHBondContact CZ-O 3.39Å; G912-R954 PolarHBondContact O-NH2 2.79Å
913P66.5Low74.6Confident37 Ų3753.8 Ų53.824%0.2431%0.312CS..  trans-120.3140.5165.536.1-32.1000113.2T911 S915 R954T911-P913 WeakPolarHBondContact O-CD 3.39Å; P913-S915 WeakPolarHBondContact CG-OG 3.35Å; P913-S915 PolarHBondContact O-N 3.38Å; P913-R954 HydrophobicContact CB-CB 4.33Å
914L79.2Confident75.2Confident2 Ų246.6 Ų46.61%0.0128%0.284CS..  trans-69.623.8166.6-63.1176.2000111.8F894 L897 I898 L901 S916 A917 V919 L953 R954 A955 S956 V987 F989F894-L914 HydrophobicContact CD2-CD1 4.28Å; F894-L914 HydrophobicContact CE2-CD1 4.39Å; F894-L914 HydrophobicContact CE2-CG 4.34Å; L897-L914 HydrophobicContact CD1-CD1 4.33Å; I898-L914 HydrophobicContact CD1-CD2 4.06Å; I898-L914 HydrophobicContact CD1-CG 4.07Å; L901-L914 HydrophobicContact CD1-CD2 3.64Å; L914-S916 PolarHBondContact O-N 2.77Å; L914-S916 VanDerWaalsContact O-N 3.1Å; L914-A917 HydrophobicContact CB-CB 4.09Å; L914-A917 HydrophobicContact CD2-CB 4.2Å; L914-A917 WeakPolarHBondContact O-CA 3.45Å; L914-A917 WeakPolarHBondContact O-CB 3.41Å; L914-A917 PolarHBondContact O-N 3.24Å; L914-V919 HydrophobicContact CD1-CG2 4.08Å; L914-L953 HydrophobicContact CD1-CB 4.29Å; L914-R954 CarbonylContact C-O 3.55Å; L914-A955 HydrophobicContact CB-CB 4.34Å; L914-A955 CarbonylContact O-C 3.5Å; L914-A955 VanDerWaalsContact O-CA 3.25Å; L914-A955 WeakPolarHBondContact O-CA 3.37Å; L914-S956 PolarHBondContact O-N 3.33Å; L914-S956 VanDerWaalsContact O-N 3.12Å; L914-V987 HydrophobicContact CD2-CG1 4.02Å; L914-F989 HydrophobicContact CD2-CZ 4.29Å
915S76.2Confident75.7Confident28 Ų2848.4 Ų48.420%0.19628%0.279CS..THydrogen-bonded Turntrans-66.5-19.3-166.853.80000114.3P913 R954 S956 Y1004P913-S915 WeakPolarHBondContact CG-OG 3.35Å; P913-S915 PolarHBondContact O-N 3.38Å; S915-R954 VanDerWaalsContact CA-O 3.26Å; S915-R954 WeakPolarHBondContact CA-O 3.25Å; S915-R954 PolarHBondContact N-O 3.33Å; S915-S956 WeakPolarHBondContact O-CB 3.46Å; S915-Y1004 WeakPolarHBondContact O-CD2 3.34Å
916S78.8Confident76.1Confident7 Ų755.3 Ų55.35%0.04931%0.309CS..THydrogen-bonded Turntrans-99.7-12.6170.647.80000112.8L914 P990L914-S916 PolarHBondContact O-N 2.77Å; L914-S916 VanDerWaalsContact O-N 3.1Å; S916-P990 WeakPolarHBondContact O-CD 3.45Å
917A85.2Confident76.9Confident0 Ų046 Ų460%027%0.266CS..  trans-89.5141.3-173.400000112.1L914 S956 V987 T988 F989L914-A917 HydrophobicContact CB-CB 4.09Å; L914-A917 HydrophobicContact CD2-CB 4.2Å; L914-A917 WeakPolarHBondContact O-CA 3.45Å; L914-A917 WeakPolarHBondContact O-CB 3.41Å; L914-A917 PolarHBondContact O-N 3.24Å; A917-S956 VanDerWaalsContact O-CB 3.22Å; A917-S956 WeakPolarHBondContact O-CB 3.47Å; A917-S956 PolarHBondContact O-N 3.11Å; A917-V987 HydrophobicContact CB-CG1 3.73Å; A917-T988 CarbonylContact C-O 3.48Å; A917-T988 VanDerWaalsContact CA-O 3.32Å; A917-T988 WeakPolarHBondContact CA-O 3.48Å; A917-F989 HydrophobicContact CB-CD1 3.94Å; A917-F989 HydrophobicContact CB-CE1 3.66Å; A917-F989 HydrophobicContact CB-CE2 4.36Å; A917-F989 HydrophobicContact CB-CG 4.42Å; A917-F989 HydrophobicContact CB-CZ 3.88Å
918N87.7Confident77.7Confident55 Ų5551.3 Ų51.329%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-93.8129.5164.6-59.8-46.1000108.2S957 T988N918-S957 PolarHBondContact OD1-OG 3.28Å; N918-T988 PolarHBondContact N-O 2.86Å; N918-T988 PolarHBondContact O-N 3.32Å
919V91.2Very high78.8Confident2 Ų251.3 Ų51.31%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-113.3125.8-177.5-176.70000109.4L914 I921 L953 A955 S957 I958 S959 V985 S986L914-V919 HydrophobicContact CD1-CG2 4.08Å; V919-I921 HydrophobicContact CG1-CG1 4.12Å; V919-L953 HydrophobicContact CG1-CD1 4.04Å; V919-A955 HydrophobicContact CG2-CB 3.89Å; V919-S957 PolarHBondContact N-O 2.79Å; V919-I958 HydrophobicContact CB-CD1 4.19Å; V919-I958 HydrophobicContact CB-CG1 4.32Å; V919-I958 HydrophobicContact CG1-CD1 4.22Å; V919-I958 CarbonylContact O-C 3.55Å; V919-I958 VanDerWaalsContact O-CA 3.27Å; V919-I958 WeakPolarHBondContact O-CA 3.45Å; V919-S959 PolarHBondContact O-N 3.41Å; V919-V985 HydrophobicContact CG1-CG1 3.78Å; V919-S986 CarbonylContact C-O 3.6Å; V919-S986 WeakPolarHBondContact CA-O 3.35Å
920H92.4Very high80.2Confident56 Ų5652 Ų5226%0.25929%0.291SS..EExtended strand (participates in β ladder)trans-113.9133.3170-170.175.8000109.9S959 S961 V985 S986H920-S959 WeakPolarHBondContact CA-O 3.39Å; H920-S959 PolarHBondContact ND1-OG 2.95Å; H920-S961 PolarHBondContact NE2-OG 3.36Å; H920-S961 VanDerWaalsContact NE2-OG 3.11Å; H920-V985 CarbonylContact O-C 3.56Å; H920-V985 WeakPolarHBondContact O-CA 3.42Å; H920-S986 PolarHBondContact N-O 2.76Å; H920-S986 PolarHBondContact O-N 2.78Å
921I92.8Very high81.8Confident0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-120.3120.3-178.9-59.3174000109.3L893 V919 I923 L933 L949 I958 S959 W960 S961 M983 V985L893-I921 HydrophobicContact CD2-CD1 3.96Å; V919-I921 HydrophobicContact CG1-CG1 4.12Å; I921-I923 HydrophobicContact CG2-CG2 4.25Å; I921-L933 HydrophobicContact CD1-CD2 4.14Å; I921-L933 HydrophobicContact CG2-CD1 3.95Å; I921-L933 HydrophobicContact CG2-CD2 4.42Å; I921-L949 HydrophobicContact CD1-CD2 3.88Å; I921-I958 HydrophobicContact CD1-CD1 4.1Å; I921-S959 PolarHBondContact N-O 3.02Å; I921-W960 HydrophobicContact CB-CB 3.99Å; I921-W960 CarbonylContact O-C 3.52Å; I921-W960 WeakPolarHBondContact O-CA 3.3Å; I921-W960 VanDerWaalsContact O-CB 3.3Å; I921-W960 WeakPolarHBondContact O-CB 3.49Å; I921-S961 PolarHBondContact O-N 3.32Å; I921-M983 HydrophobicContact CG2-CB 4Å; I921-M983 HydrophobicContact CG2-CG 4Å; I921-M983 HydrophobicContact CG2-SD 3.99Å; I921-V985 HydrophobicContact CG1-CG1 4.15Å; I921-V985 HydrophobicContact CG1-CG2 4.26Å; I921-V985 HydrophobicContact CG2-CG2 4.42Å
922T91.4Very high83.8Confident20 Ų2046.5 Ų46.512%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-106.6130.2174.6-48.40000109.6S961 Q984T922-S961 WeakPolarHBondContact CA-O 3.45Å; T922-Q984 PolarHBondContact N-O 3.43Å; T922-Q984 PolarHBondContact O-N 2.78Å
923I90.9Very high85.5Confident0 Ų045.1 Ų45.10%023%0.229CC..EExtended strand (participates in β ladder)trans-124.5150.4177.853.5156.9000112.5I921 V929 Y930 L933 W960 S961 V962 G963 M983I921-I923 HydrophobicContact CG2-CG2 4.25Å; I923-V929 HydrophobicContact CB-CG2 4.45Å; I923-V929 HydrophobicContact CG2-CG2 3.6Å; I923-Y930 HydrophobicContact CD1-CD2 3.91Å; I923-Y930 HydrophobicContact CD1-CG 4.39Å; I923-L933 HydrophobicContact CD1-CD1 3.88Å; I923-L933 HydrophobicContact CG1-CD1 4.04Å; I923-L933 HydrophobicContact CG2-CD1 3.67Å; I923-W960 HydrophobicContact CD1-CE3 4.25Å; I923-W960 HydrophobicContact CD1-CZ3 4Å; I923-W960 HydrophobicContact CG1-CE3 4.25Å; I923-W960 HydrophobicContact CG1-CZ3 4.37Å; I923-S961 PolarHBondContact N-O 3.28Å; I923-V962 HydrophobicContact CD1-CG2 4.3Å; I923-V962 HydrophobicContact CG1-CG2 4.23Å; I923-V962 WeakPolarHBondContact O-CA 3.38Å; I923-G963 PolarHBondContact O-N 3.26Å; I923-M983 HydrophobicContact CG2-CB 4.35Å; I923-M983 HydrophobicContact CG2-CG 3.6Å
924P87.3Confident86.6Confident37 Ų3748.1 Ų48.124%0.2424%0.238CC..  trans-75.4153.517528.3-29.5000110.9K926 S927 Y965 E982P924-K926 PolarHBondContact O-N 3.36Å; P924-S927 WeakPolarHBondContact O-CB 3.14Å; P924-S927 PolarHBondContact O-N 3.04Å; P924-Y965 VanDerWaalsContact CD-OH 3.3Å; P924-Y965 WeakPolarHBondContact CD-OH 3.33Å; P924-E982 WeakPolarHBondContact CD-O 3.46Å
925T78.7Confident87Confident116 Ų11649.6 Ų49.671%0.71225%0.25SS*.THydrogen-bonded Turntrans-57.7-21.2-171.2-37.80000115.2V962T925-V962 HydrophobicContact CG2-CG1 4.15Å
926K78.4Confident87.7Confident206 Ų20648.3 Ų48.390%0.89624%0.241SC*.THydrogen-bonded Turntrans-113.619.8-179.5-65.5-175.3179.1178.70113.6P924P924-K926 PolarHBondContact O-N 3.36Å
927S83.2Confident88.3Confident7 Ų748.1 Ų48.15%0.04924%0.24CC..  trans-73.9141.4-176.9-1700000113P924 V929 Y930 E982P924-S927 WeakPolarHBondContact O-CB 3.14Å; P924-S927 PolarHBondContact O-N 3.04Å; S927-V929 PolarHBondContact O-N 2.92Å; S927-V929 VanDerWaalsContact OG-CG2 3.22Å; S927-V929 WeakPolarHBondContact OG-CG2 3.37Å; S927-V929 PolarHBondContact OG-N 2.79Å; S927-Y930 WeakPolarHBondContact O-CB 2.99Å; S927-Y930 PolarHBondContact O-N 3.07Å; S927-E982 PolarHBondContact OG-OE2 2.86Å
928Q82.7Confident88.3Confident172 Ų17252.3 Ų52.380%0.80427%0.267SS*.THydrogen-bonded Turntrans-63.4-24.1173.7-62.6-174.10.800112.4Y930Q928-Y930 VanDerWaalsContact C-N 3.27Å; Q928-Y930 PolarHBondContact O-N 2.79Å
929V88.7Confident88.1Confident19 Ų1954.9 Ų54.912%0.11528%0.28CS..THydrogen-bonded Turntrans-78.7-5.8178.8-61.90000113.8I923 S927 H931 M932 L933 M983I923-V929 HydrophobicContact CB-CG2 4.45Å; I923-V929 HydrophobicContact CG2-CG2 3.6Å; S927-V929 PolarHBondContact O-N 2.92Å; S927-V929 VanDerWaalsContact OG-CG2 3.22Å; S927-V929 WeakPolarHBondContact OG-CG2 3.37Å; S927-V929 PolarHBondContact OG-N 2.79Å; V929-H931 VanDerWaalsContact C-N 3.33Å; V929-H931 PolarHBondContact O-N 2.9Å; V929-M932 HydrophobicContact CB-CE 3.96Å; V929-M932 HydrophobicContact CG1-CE 4.27Å; V929-M932 WeakPolarHBondContact O-CB 3.35Å; V929-M932 PolarHBondContact O-N 3.05Å; V929-M932 VanDerWaalsContact O-N 3.13Å; V929-L933 PolarHBondContact O-N 3.08Å; V929-M983 HydrophobicContact CG2-CG 3.9Å; V929-M983 HydrophobicContact CG2-SD 4.17Å
930Y90.5Very high87.5Confident63 Ų6359 Ų5925%0.24730%0.299CS..Hα-helixtrans-55-48.3177.1176.4-92.7000111.9I923 S927 Q928 M932 L933 K934 W960 V962I923-Y930 HydrophobicContact CD1-CD2 3.91Å; I923-Y930 HydrophobicContact CD1-CG 4.39Å; S927-Y930 WeakPolarHBondContact O-CB 2.99Å; S927-Y930 PolarHBondContact O-N 3.07Å; Q928-Y930 VanDerWaalsContact C-N 3.27Å; Q928-Y930 PolarHBondContact O-N 2.79Å; Y930-M932 VanDerWaalsContact C-N 3.3Å; Y930-M932 PolarHBondContact O-N 3.06Å; Y930-L933 PolarHBondContact O-N 2.98Å; Y930-K934 HydrophobicContact CE1-CD 3.8Å; Y930-K934 WeakPolarHBondContact O-CB 3.11Å; Y930-K934 PolarHBondContact O-N 3.33Å; Y930-K934 PolarHBondContact OH-NZ 2.82Å; Y930-W960 HydrophobicContact CD2-CH2 4.04Å; Y930-W960 HydrophobicContact CD2-CZ3 4Å; Y930-W960 AromaticContact CE2-CH2 3.7Å; Y930-W960 HydrophobicContact CE2-CH2 3.7Å; Y930-W960 AromaticContact CE2-CZ3 3.99Å; Y930-W960 HydrophobicContact CE2-CZ3 3.99Å; Y930-V962 HydrophobicContact CD2-CG2 4.06Å; Y930-V962 HydrophobicContact CE2-CG2 4.02Å
931H89.4Confident86.8Confident116 Ų11660 Ų6054%0.53731%0.313SS..Hα-helixtrans-66.2-34.1179.5-65.2-64.1000112.5V929 A935V929-H931 VanDerWaalsContact C-N 3.33Å; V929-H931 PolarHBondContact O-N 2.9Å; H931-A935 VanDerWaalsContact O-CB 3.24Å; H931-A935 WeakPolarHBondContact O-CB 3.47Å; H931-A935 PolarHBondContact O-N 3.21Å
932M92.4Very high86.1Confident4 Ų462.7 Ų62.72%0.0233%0.33CS..Hα-helixtrans-63.4-53.2173.7174.1-161.881.800110.8Y886 T889 V929 Y930 K934 A935 L936 M983Y886-M932 HydrophobicContact CD1-CB 3.63Å; Y886-M932 HydrophobicContact CD1-CG 4.12Å; Y886-M932 HydrophobicContact CE1-CB 4.25Å; Y886-M932 HydrophobicContact CG-CB 3.93Å; Y886-M932 HydrophobicContact CG-CG 4.1Å; T889-M932 VanDerWaalsContact CB-SD 3.5Å; T889-M932 HydrophobicContact CG2-CE 4.43Å; T889-M932 HydrophobicContact CG2-SD 3.42Å; T889-M932 WeakPolarHBondContact CG2-SD 3.46Å; V929-M932 HydrophobicContact CB-CE 3.96Å; V929-M932 HydrophobicContact CG1-CE 4.27Å; V929-M932 WeakPolarHBondContact O-CB 3.35Å; V929-M932 PolarHBondContact O-N 3.05Å; V929-M932 VanDerWaalsContact O-N 3.13Å; Y930-M932 VanDerWaalsContact C-N 3.3Å; Y930-M932 PolarHBondContact O-N 3.06Å; M932-K934 VanDerWaalsContact C-N 3.33Å; M932-K934 PolarHBondContact O-N 3.25Å; M932-A935 PolarHBondContact O-N 3.47Å; M932-L936 HydrophobicContact CG-CD1 3.72Å; M932-L936 WeakPolarHBondContact O-CG 3.44Å; M932-L936 PolarHBondContact O-N 3.3Å; M932-M983 HydrophobicContact CE-SD 4.27Å
933L91.6Very high85.5Confident0 Ų067.3 Ų67.30%035%0.353CS..Hα-helixtrans-60.7-44.9-179.4-70.5178.7000110.7I921 I923 V929 Y930 A935 L936 H937 L949 W960I921-L933 HydrophobicContact CD1-CD2 4.14Å; I921-L933 HydrophobicContact CG2-CD1 3.95Å; I921-L933 HydrophobicContact CG2-CD2 4.42Å; I923-L933 HydrophobicContact CD1-CD1 3.88Å; I923-L933 HydrophobicContact CG1-CD1 4.04Å; I923-L933 HydrophobicContact CG2-CD1 3.67Å; V929-L933 PolarHBondContact O-N 3.08Å; Y930-L933 PolarHBondContact O-N 2.98Å; L933-A935 VanDerWaalsContact C-N 3.3Å; L933-A935 PolarHBondContact O-N 3.12Å; L933-L936 PolarHBondContact O-N 3.27Å; L933-H937 CarbonylContact O-C 3.47Å; L933-H937 WeakPolarHBondContact O-CA 3.33Å; L933-H937 PolarHBondContact O-N 3.01Å; L933-L949 HydrophobicContact CD2-CD2 3.58Å; L933-W960 HydrophobicContact CB-CD2 3.94Å; L933-W960 HydrophobicContact CB-CE3 4.18Å; L933-W960 HydrophobicContact CB-CG 4.32Å; L933-W960 HydrophobicContact CB-CZ2 4.4Å; L933-W960 HydrophobicContact CD1-CB 4.22Å; L933-W960 HydrophobicContact CD1-CD2 4.1Å; L933-W960 HydrophobicContact CD1-CE3 3.88Å; L933-W960 HydrophobicContact CD1-CG 4.27Å
934K89.9Confident85Confident101 Ų10168.3 Ų68.344%0.43936%0.361SS..Hα-helixtrans-62.6-34.3176.5-167.8170.9-171.3168.10113.2Y930 M932 P938 W960Y930-K934 HydrophobicContact CE1-CD 3.8Å; Y930-K934 WeakPolarHBondContact O-CB 3.11Å; Y930-K934 PolarHBondContact O-N 3.33Å; Y930-K934 PolarHBondContact OH-NZ 2.82Å; M932-K934 VanDerWaalsContact C-N 3.33Å; M932-K934 PolarHBondContact O-N 3.25Å; K934-P938 VanDerWaalsContact O-CA 3.22Å; K934-P938 WeakPolarHBondContact O-CA 3.06Å; K934-W960 HydrophobicContact CB-CZ2 4.35Å
935A88.5Confident84.6Confident32 Ų3269.9 Ų69.926%0.26437%0.369SS..Hα-helixtrans-73.9-38.3176.500000112.6Y883 Y886 H931 M932 L933Y883-A935 HydrophobicContact CD1-CB 4.44Å; Y883-A935 HydrophobicContact CE1-CB 4.29Å; Y886-A935 HydrophobicContact CD2-CB 3.66Å; Y886-A935 HydrophobicContact CE2-CB 3.91Å; H931-A935 VanDerWaalsContact O-CB 3.24Å; H931-A935 WeakPolarHBondContact O-CB 3.47Å; H931-A935 PolarHBondContact O-N 3.21Å; M932-A935 PolarHBondContact O-N 3.47Å; L933-A935 VanDerWaalsContact C-N 3.3Å; L933-A935 PolarHBondContact O-N 3.12Å
936L90.8Very high84.7Confident2 Ų267.4 Ų67.41%0.0136%0.356CS..Hα-helixtrans-88.4-21.3-177.1-63.2172.6000113.5A731 V887 A890 M932 L933 S947 D948 L949 I952A731-L936 HydrophobicContact CB-CD2 3.65Å; V887-L936 HydrophobicContact CG2-CD2 4Å; A890-L936 HydrophobicContact CB-CD1 3.53Å; M932-L936 HydrophobicContact CG-CD1 3.72Å; M932-L936 WeakPolarHBondContact O-CG 3.44Å; M932-L936 PolarHBondContact O-N 3.3Å; L933-L936 PolarHBondContact O-N 3.27Å; L936-S947 WeakPolarHBondContact O-CB 3.35Å; L936-D948 HydrophobicContact CB-CB 4.35Å; L936-D948 HydrophobicContact CD2-CB 3.9Å; L936-D948 PolarHBondContact O-N 3.36Å; L936-L949 HydrophobicContact CB-CB 3.94Å; L936-L949 HydrophobicContact CB-CD1 4.46Å; L936-L949 HydrophobicContact CD1-CD1 4.01Å; L936-L949 PolarHBondContact O-N 3.28Å; L936-I952 HydrophobicContact CD1-CD1 4.37Å; L936-I952 HydrophobicContact CD2-CD1 3.98Å
937H91.2Very high85.2Confident3 Ų358.1 Ų58.11%0.01432%0.317CS..SBendtrans-150.389.7177.5-169.9-12.7000109.9L933 L939 C942 S944 L949 I958 W960L933-H937 CarbonylContact O-C 3.47Å; L933-H937 WeakPolarHBondContact O-CA 3.33Å; L933-H937 PolarHBondContact O-N 3.01Å; H937-L939 VanDerWaalsContact C-N 3.27Å; H937-L939 PolarHBondContact CE1-O 3.11Å; H937-L939 VanDerWaalsContact CE1-O 3.28Å; H937-L939 PolarHBondContact O-N 3.1Å; H937-L939 VanDerWaalsContact O-N 3.16Å; H937-C942 PolarHBondContact CE1-O 3.37Å; H937-C942 VanDerWaalsContact CE1-O 3.27Å; H937-C942 PolarHBondContact NE2-O 2.74Å; H937-S944 WeakPolarHBondContact NE2-CB 3.11Å; H937-L949 HydrophobicContact CB-CB 4.31Å; H937-L949 HydrophobicContact CB-CD2 4.48Å; H937-I958 PolarHBondContact NE2-O 3.34Å; H937-W960 AromaticContact CD2-CD1 3.81Å; H937-W960 AromaticContact CG-CD1 3.87Å; H937-W960 AromaticContact CG-NE1 3.97Å; H937-W960 PolarHBondContact O-NE1 3.16Å
938P84.3Confident85.4Confident88 Ų8858.3 Ų58.357%0.57132%0.318SS*.  trans-63.5-23.2-168.9-25.735000116.6K934K934-P938 VanDerWaalsContact O-CA 3.22Å; K934-P938 WeakPolarHBondContact O-CA 3.06Å
939L83.4Confident85.9Confident109 Ų10950.1 Ų50.157%0.57128%0.28SS*.SBendtrans-101.6111.2-172.9-62.6177000110.6H937 C942H937-L939 VanDerWaalsContact C-N 3.27Å; H937-L939 PolarHBondContact CE1-O 3.11Å; H937-L939 VanDerWaalsContact CE1-O 3.28Å; H937-L939 PolarHBondContact O-N 3.1Å; H937-L939 VanDerWaalsContact O-N 3.16Å; L939-C942 HydrophobicContact CB-CB 3.61Å; L939-C942 HydrophobicContact CD1-CB 4.41Å
940E79.7Confident86Confident88 Ų8849.2 Ų49.241%0.41127%0.274SS..THydrogen-bonded Turntrans-65.3140.5174.5-171.2174.9174.400111.2C942 W960 V962E940-C942 PolarHBondContact O-N 3.3Å; E940-W960 HydrophobicContact CB-CH2 4.21Å; E940-W960 HydrophobicContact CB-CZ2 4.06Å; E940-W960 HydrophobicContact CG-CE3 4.36Å; E940-W960 HydrophobicContact CG-CH2 4.23Å; E940-W960 HydrophobicContact CG-CZ2 4.43Å; E940-W960 HydrophobicContact CG-CZ3 4.19Å; E940-V962 WeakPolarHBondContact OE1-CG2 3.21Å; E940-V962 PolarHBondContact OE1-N 3.01Å
941S76.4Confident85.9Confident78 Ų7846.7 Ų46.755%0.54526%0.264SS..THydrogen-bonded Turntrans56.29.6-179.7-58.80000115.4W960S941-W960 VanDerWaalsContact CA-O 3.31Å; S941-W960 WeakPolarHBondContact CA-O 3.47Å; S941-W960 PolarHBondContact N-O 3.44Å
942C78Confident86Confident55 Ų5541.5 Ų41.537%0.37224%0.241SC..  trans-94.4127178.1-169.70000110.4H937 L939 E940 S944H937-C942 PolarHBondContact CE1-O 3.37Å; H937-C942 VanDerWaalsContact CE1-O 3.27Å; H937-C942 PolarHBondContact NE2-O 2.74Å; L939-C942 HydrophobicContact CB-CB 3.61Å; L939-C942 HydrophobicContact CD1-CB 4.41Å; E940-C942 PolarHBondContact O-N 3.3Å; C942-S944 PolarHBondContact O-N 3.32Å
943I80.3Confident85.9Confident117 Ų11741.3 Ų41.360%0.624%0.24SC*.  trans-70.1117.6172.2-61.1175000107.9I958I943-I958 WeakPolarHBondContact CA-O 3.39Å
944S79.7Confident85.6Confident22 Ų2245.6 Ų45.615%0.15426%0.256CS..BIsolated β-bridgetrans-114.6139.1174.1-177.20000110.8H937 C942 S946 S947 S957 I958H937-S944 WeakPolarHBondContact NE2-CB 3.11Å; C942-S944 PolarHBondContact O-N 3.32Å; S944-S946 PolarHBondContact OG-N 3.5Å; S944-S946 VanDerWaalsContact OG-N 3.15Å; S944-S947 PolarHBondContact OG-N 3.28Å; S944-S947 VanDerWaalsContact OG-N 3.08Å; S944-S957 WeakPolarHBondContact O-CA 3.49Å; S944-I958 PolarHBondContact N-O 2.98Å; S944-I958 PolarHBondContact O-N 2.9Å
945V78.2Confident85.5Confident69 Ų6940.9 Ų40.942%0.41824%0.236SC..SBendtrans-104.64.4170.9-61.10000111.7R1003V945-R1003 PolarHBondContact O-NH1 3.42Å
946S81.1Confident85.2Confident64 Ų6439.9 Ų39.945%0.44823%0.227SC..SBendtrans-146.315-169.455.30000114.5S944 Y951S944-S946 PolarHBondContact OG-N 3.5Å; S944-S946 VanDerWaalsContact OG-N 3.15Å; S946-Y951 WeakPolarHBondContact CA-OH 3.36Å; S946-Y951 WeakPolarHBondContact CB-OH 3.45Å; S946-Y951 WeakPolarHBondContact O-CE2 3.22Å; S946-Y951 PolarHBondContact O-OH 3.08Å
947S88.6Confident85Confident11 Ų1140.4 Ų40.48%0.07723%0.23CC..SBendtrans-76.8158.3171.865.90000112L936 S944 L949 C950 Y951 I958L936-S947 WeakPolarHBondContact O-CB 3.35Å; S944-S947 PolarHBondContact OG-N 3.28Å; S944-S947 VanDerWaalsContact OG-N 3.08Å; S947-L949 PolarHBondContact O-N 3.21Å; S947-C950 WeakPolarHBondContact O-CA 3.42Å; S947-C950 VanDerWaalsContact O-CB 3.24Å; S947-C950 WeakPolarHBondContact O-CB 3.49Å; S947-C950 PolarHBondContact O-N 3.41Å; S947-C950 WeakPolarHBondContact OG-CB 3.48Å; S947-C950 PolarHBondContact OG-N 2.81Å; S947-Y951 WeakPolarHBondContact O-CD2 3.41Å; S947-Y951 PolarHBondContact O-N 3.41Å; S947-I958 WeakPolarHBondContact OG-CG2 3.35Å
948D88.9Confident85Confident12 Ų1240.2 Ų40.26%0.06423%0.23CC..Hα-helixtrans-56.1-40.8174.9-81.8-1.4000111.4T730 A731 L732 R782 L936 C950 Y951 I952T730-D948 WeakPolarHBondContact CB-OD1 3.28Å; T730-D948 VanDerWaalsContact CB-OD2 3.23Å; T730-D948 WeakPolarHBondContact CB-OD2 3.27Å; A731-D948 WeakPolarHBondContact CA-OD2 3.44Å; A731-D948 WeakPolarHBondContact CB-OD2 3.46Å; A731-D948 PolarHBondContact N-OD2 3.5Å; L732-D948 HydrophobicContact CD1-CB 4.13Å; L732-D948 HydrophobicContact CG-CB 4.1Å; L732-D948 PolarHBondContact N-OD2 3.32Å; R782-D948 IonicContact NH1-OD1 3.06Å; L936-D948 HydrophobicContact CB-CB 4.35Å; L936-D948 HydrophobicContact CD2-CB 3.9Å; L936-D948 PolarHBondContact O-N 3.36Å; D948-C950 VanDerWaalsContact C-N 3.31Å; D948-C950 PolarHBondContact O-N 3.12Å; D948-Y951 PolarHBondContact O-N 2.91Å; D948-I952 WeakPolarHBondContact O-CB 3.34Å; D948-I952 VanDerWaalsContact O-CG1 3.22Å; D948-I952 WeakPolarHBondContact O-CG1 3.15Å; D948-I952 PolarHBondContact O-N 3.18Å
949L92.1Very high85.4Confident0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-61.9-40.8176.3-164.761.5000111.6A890 I921 L933 L936 H937 S947 Y951 I952 L953 I958A890-L949 HydrophobicContact CB-CD1 3.72Å; I921-L949 HydrophobicContact CD1-CD2 3.88Å; L933-L949 HydrophobicContact CD2-CD2 3.58Å; L936-L949 HydrophobicContact CB-CB 3.94Å; L936-L949 HydrophobicContact CB-CD1 4.46Å; L936-L949 HydrophobicContact CD1-CD1 4.01Å; L936-L949 PolarHBondContact O-N 3.28Å; H937-L949 HydrophobicContact CB-CB 4.31Å; H937-L949 HydrophobicContact CB-CD2 4.48Å; S947-L949 PolarHBondContact O-N 3.21Å; L949-Y951 VanDerWaalsContact C-N 3.32Å; L949-Y951 PolarHBondContact O-N 2.84Å; L949-I952 PolarHBondContact O-N 3.29Å; L949-L953 HydrophobicContact CD1-CG 4.39Å; L949-L953 HydrophobicContact CG-CG 4.47Å; L949-L953 WeakPolarHBondContact O-CB 3.05Å; L949-L953 WeakPolarHBondContact O-CG 3.44Å; L949-L953 PolarHBondContact O-N 3.35Å; L949-I958 HydrophobicContact CB-CD1 4.24Å; L949-I958 HydrophobicContact CD2-CD1 3.54Å; L949-I958 HydrophobicContact CD2-CG1 4.17Å; L949-I958 HydrophobicContact CG-CD1 3.52Å
950C90.3Very high85.9Confident0 Ų031.8 Ų31.80%018%0.181CC..Hα-helixtrans-60.9-42.8175.2-163.70000111.5S947 D948 R954 A955 I958S947-C950 WeakPolarHBondContact O-CA 3.42Å; S947-C950 VanDerWaalsContact O-CB 3.24Å; S947-C950 WeakPolarHBondContact O-CB 3.49Å; S947-C950 PolarHBondContact O-N 3.41Å; S947-C950 WeakPolarHBondContact OG-CB 3.48Å; S947-C950 PolarHBondContact OG-N 2.81Å; D948-C950 VanDerWaalsContact C-N 3.31Å; D948-C950 PolarHBondContact O-N 3.12Å; C950-R954 WeakPolarHBondContact O-CA 3.31Å; C950-R954 PolarHBondContact O-N 2.94Å; C950-A955 PolarHBondContact O-N 3.39Å; C950-A955 VanDerWaalsContact O-N 3.08Å; C950-A955 PolarHBondContact SG-O 2.89Å; C950-A955 VanDerWaalsContact SG-O 3.33Å; C950-I958 HydrophobicContact CB-CG2 3.58Å
951Y89.6Confident86.4Confident9 Ų928.7 Ų28.74%0.03517%0.169CC..Hα-helixtrans-68.3-43178.8-64.1-53.2000112.2D781 S946 S947 D948 L949 R954D781-Y951 HydrophobicContact CB-CD1 4.19Å; D781-Y951 HydrophobicContact CB-CE1 4.11Å; D781-Y951 WeakPolarHBondContact OD2-CE1 3.28Å; S946-Y951 WeakPolarHBondContact CA-OH 3.36Å; S946-Y951 WeakPolarHBondContact CB-OH 3.45Å; S946-Y951 WeakPolarHBondContact O-CE2 3.22Å; S946-Y951 PolarHBondContact O-OH 3.08Å; S947-Y951 WeakPolarHBondContact O-CD2 3.41Å; S947-Y951 PolarHBondContact O-N 3.41Å; D948-Y951 PolarHBondContact O-N 2.91Å; L949-Y951 VanDerWaalsContact C-N 3.32Å; L949-Y951 PolarHBondContact O-N 2.84Å; Y951-R954 VanDerWaalsContact O-CG 3.27Å; Y951-R954 WeakPolarHBondContact O-CG 3.47Å; Y951-R954 PolarHBondContact O-N 2.94Å
952I90.7Very high87Confident8 Ų827 Ų274%0.04116%0.156CC..Hα-helixtrans-62.5-49.2177.8-68.4163.8000110.5L732 V887 A890 L936 D948 L949 R954L732-I952 HydrophobicContact CD1-CG1 4.16Å; L732-I952 HydrophobicContact CD2-CD1 3.74Å; L732-I952 HydrophobicContact CD2-CG1 3.68Å; L732-I952 HydrophobicContact CG-CD1 4.11Å; L732-I952 HydrophobicContact CG-CG1 4.17Å; V887-I952 HydrophobicContact CG1-CD1 4.28Å; V887-I952 HydrophobicContact CG2-CD1 4.4Å; A890-I952 HydrophobicContact CB-CD1 3.97Å; A890-I952 HydrophobicContact CB-CG2 3.97Å; L936-I952 HydrophobicContact CD1-CD1 4.37Å; L936-I952 HydrophobicContact CD2-CD1 3.98Å; D948-I952 WeakPolarHBondContact O-CB 3.34Å; D948-I952 VanDerWaalsContact O-CG1 3.22Å; D948-I952 WeakPolarHBondContact O-CG1 3.15Å; D948-I952 PolarHBondContact O-N 3.18Å; L949-I952 PolarHBondContact O-N 3.29Å; I952-R954 PolarHBondContact O-N 3.36Å
953L90.2Very high87.3Confident0 Ų025.5 Ų25.50%015%0.149CC..Hα-helixtrans-73.1-14.1178.6-61.9-163000112.6L893 F894 L897 L914 V919 L949 A955 I958L893-L953 HydrophobicContact CD2-CD2 4.48Å; L893-L953 HydrophobicContact CG-CD2 4.43Å; F894-L953 HydrophobicContact CB-CD2 3.59Å; F894-L953 HydrophobicContact CD2-CB 4.42Å; F894-L953 HydrophobicContact CD2-CD2 4.33Å; F894-L953 VanDerWaalsContact CD2-O 3.26Å; F894-L953 WeakPolarHBondContact CD2-O 3.34Å; F894-L953 WeakPolarHBondContact CE2-O 3.3Å; F894-L953 HydrophobicContact CG-CD2 4.45Å; L897-L953 HydrophobicContact CD1-CD1 4.43Å; L914-L953 HydrophobicContact CD1-CB 4.29Å; V919-L953 HydrophobicContact CG1-CD1 4.04Å; L949-L953 HydrophobicContact CD1-CG 4.39Å; L949-L953 HydrophobicContact CG-CG 4.47Å; L949-L953 WeakPolarHBondContact O-CB 3.05Å; L949-L953 WeakPolarHBondContact O-CG 3.44Å; L949-L953 PolarHBondContact O-N 3.35Å; L953-A955 HydrophobicContact CB-CB 4.25Å; L953-A955 PolarHBondContact O-N 3.5Å; L953-I958 HydrophobicContact CD1-CD1 3.44Å; L953-I958 VanDerWaalsContact CD1-CD1 3.44Å; L953-I958 HydrophobicContact CG-CD1 4.26Å
954R85.9Confident86.8Confident90 Ų9025.4 Ų25.434%0.3416%0.16SC..THydrogen-bonded Turntrans52.138.5-171.8-58.9179.2-77.6176.2-6.7111.5G912 P913 L914 S915 C950 Y951 I952G912-R954 PolarHBondContact O-NH2 2.79Å; P913-R954 HydrophobicContact CB-CB 4.33Å; L914-R954 CarbonylContact C-O 3.55Å; S915-R954 VanDerWaalsContact CA-O 3.26Å; S915-R954 WeakPolarHBondContact CA-O 3.25Å; S915-R954 PolarHBondContact N-O 3.33Å; C950-R954 WeakPolarHBondContact O-CA 3.31Å; C950-R954 PolarHBondContact O-N 2.94Å; Y951-R954 VanDerWaalsContact O-CG 3.27Å; Y951-R954 WeakPolarHBondContact O-CG 3.47Å; Y951-R954 PolarHBondContact O-N 2.94Å; I952-R954 PolarHBondContact O-N 3.36Å
955A86.8Confident86.3Confident2 Ų228.8 Ų28.82%0.01717%0.169CC..  trans-78.5155.8-179.200000111.1L914 V919 C950 L953L914-A955 HydrophobicContact CB-CB 4.34Å; L914-A955 CarbonylContact O-C 3.5Å; L914-A955 VanDerWaalsContact O-CA 3.25Å; L914-A955 WeakPolarHBondContact O-CA 3.37Å; V919-A955 HydrophobicContact CG2-CB 3.89Å; C950-A955 PolarHBondContact O-N 3.39Å; C950-A955 VanDerWaalsContact O-N 3.08Å; C950-A955 PolarHBondContact SG-O 2.89Å; C950-A955 VanDerWaalsContact SG-O 3.33Å; L953-A955 HydrophobicContact CB-CB 4.25Å; L953-A955 PolarHBondContact O-N 3.5Å
956S83.7Confident85.4Confident10 Ų1027.7 Ų27.77%0.0717%0.173CC..SBendtrans-63.4-50168.3-170.50000110L914 S915 A917 Y1004L914-S956 PolarHBondContact O-N 3.33Å; L914-S956 VanDerWaalsContact O-N 3.12Å; S915-S956 WeakPolarHBondContact O-CB 3.46Å; A917-S956 VanDerWaalsContact O-CB 3.22Å; A917-S956 WeakPolarHBondContact O-CB 3.47Å; A917-S956 PolarHBondContact O-N 3.11Å; S956-Y1004 PolarHBondContact OG-O 3.37Å
957S86.9Confident83.7Confident13 Ų1332.5 Ų32.59%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-148.4159173.777.70000111.3N918 V919 S944N918-S957 PolarHBondContact OD1-OG 3.28Å; V919-S957 PolarHBondContact N-O 2.79Å; S944-S957 WeakPolarHBondContact O-CA 3.49Å
958I90.9Very high82Confident0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-140.1143.3178.7-170.1147.6000112.8V919 I921 H937 I943 S944 S947 L949 C950 L953V919-I958 HydrophobicContact CB-CD1 4.19Å; V919-I958 HydrophobicContact CB-CG1 4.32Å; V919-I958 HydrophobicContact CG1-CD1 4.22Å; V919-I958 CarbonylContact O-C 3.55Å; V919-I958 VanDerWaalsContact O-CA 3.27Å; V919-I958 WeakPolarHBondContact O-CA 3.45Å; I921-I958 HydrophobicContact CD1-CD1 4.1Å; H937-I958 PolarHBondContact NE2-O 3.34Å; I943-I958 WeakPolarHBondContact CA-O 3.39Å; S944-I958 PolarHBondContact N-O 2.98Å; S944-I958 PolarHBondContact O-N 2.9Å; S947-I958 WeakPolarHBondContact OG-CG2 3.35Å; L949-I958 HydrophobicContact CB-CD1 4.24Å; L949-I958 HydrophobicContact CD2-CD1 3.54Å; L949-I958 HydrophobicContact CD2-CG1 4.17Å; L949-I958 HydrophobicContact CG-CD1 3.52Å; C950-I958 HydrophobicContact CB-CG2 3.58Å; L953-I958 HydrophobicContact CD1-CD1 3.44Å; L953-I958 VanDerWaalsContact CD1-CD1 3.44Å; L953-I958 HydrophobicContact CG-CD1 4.26Å
959S92.5Very high80.4Confident17 Ų1742.9 Ų42.912%0.11924%0.244CC..EExtended strand (participates in β ladder)trans-141.4159.8170.953.90000110V919 H920 I921V919-S959 PolarHBondContact O-N 3.41Å; H920-S959 WeakPolarHBondContact CA-O 3.39Å; H920-S959 PolarHBondContact ND1-OG 2.95Å; I921-S959 PolarHBondContact N-O 3.02Å
960W92.9Very high78.9Confident2 Ų247.8 Ų47.81%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-146.5153175.270.3-83.6000111.6I921 I923 Y930 L933 K934 H937 E940 S941 V962I921-W960 HydrophobicContact CB-CB 3.99Å; I921-W960 CarbonylContact O-C 3.52Å; I921-W960 WeakPolarHBondContact O-CA 3.3Å; I921-W960 VanDerWaalsContact O-CB 3.3Å; I921-W960 WeakPolarHBondContact O-CB 3.49Å; I923-W960 HydrophobicContact CD1-CE3 4.25Å; I923-W960 HydrophobicContact CD1-CZ3 4Å; I923-W960 HydrophobicContact CG1-CE3 4.25Å; I923-W960 HydrophobicContact CG1-CZ3 4.37Å; Y930-W960 HydrophobicContact CD2-CH2 4.04Å; Y930-W960 HydrophobicContact CD2-CZ3 4Å; Y930-W960 AromaticContact CE2-CH2 3.7Å; Y930-W960 HydrophobicContact CE2-CH2 3.7Å; Y930-W960 AromaticContact CE2-CZ3 3.99Å; Y930-W960 HydrophobicContact CE2-CZ3 3.99Å; L933-W960 HydrophobicContact CB-CD2 3.94Å; L933-W960 HydrophobicContact CB-CE3 4.18Å; L933-W960 HydrophobicContact CB-CG 4.32Å; L933-W960 HydrophobicContact CB-CZ2 4.4Å; L933-W960 HydrophobicContact CD1-CB 4.22Å; L933-W960 HydrophobicContact CD1-CD2 4.1Å; L933-W960 HydrophobicContact CD1-CE3 3.88Å; L933-W960 HydrophobicContact CD1-CG 4.27Å; K934-W960 HydrophobicContact CB-CZ2 4.35Å; H937-W960 AromaticContact CD2-CD1 3.81Å; H937-W960 AromaticContact CG-CD1 3.87Å; H937-W960 AromaticContact CG-NE1 3.97Å; H937-W960 PolarHBondContact O-NE1 3.16Å; E940-W960 HydrophobicContact CB-CH2 4.21Å; E940-W960 HydrophobicContact CB-CZ2 4.06Å; E940-W960 HydrophobicContact CG-CE3 4.36Å; E940-W960 HydrophobicContact CG-CH2 4.23Å; E940-W960 HydrophobicContact CG-CZ2 4.43Å; E940-W960 HydrophobicContact CG-CZ3 4.19Å; S941-W960 VanDerWaalsContact CA-O 3.31Å; S941-W960 WeakPolarHBondContact CA-O 3.47Å; S941-W960 PolarHBondContact N-O 3.44Å; W960-V962 HydrophobicContact CZ3-CG2 3.86Å
961S91.4Very high78.1Confident23 Ų2352.1 Ų52.116%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-143.2156.2-179.165.20000112.1H920 I921 T922 I923H920-S961 PolarHBondContact NE2-OG 3.36Å; H920-S961 VanDerWaalsContact NE2-OG 3.11Å; I921-S961 PolarHBondContact O-N 3.32Å; T922-S961 WeakPolarHBondContact CA-O 3.45Å; I923-S961 PolarHBondContact N-O 3.28Å
962V88.3Confident77.5Confident43 Ų4355.6 Ų55.626%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-94.2123.4169.5-178.10000109.9I923 T925 Y930 E940 W960I923-V962 HydrophobicContact CD1-CG2 4.3Å; I923-V962 HydrophobicContact CG1-CG2 4.23Å; I923-V962 WeakPolarHBondContact O-CA 3.38Å; T925-V962 HydrophobicContact CG2-CG1 4.15Å; Y930-V962 HydrophobicContact CD2-CG2 4.06Å; Y930-V962 HydrophobicContact CE2-CG2 4.02Å; E940-V962 WeakPolarHBondContact OE1-CG2 3.21Å; E940-V962 PolarHBondContact OE1-N 3.01Å; W960-V962 HydrophobicContact CZ3-CG2 3.86Å
963G84.2Confident76.8Confident23 Ų2360.9 Ų60.924%0.23735%0.347CS..  trans-168.5166.1-178.600000114.3I923I923-G963 PolarHBondContact O-N 3.26Å
964S69.8Low76.3Confident116 Ų11661 Ų6181%0.81135%0.348SS*.PPolyproline II helixtrans-75.7136.7167.548.10000109.8G966S964-G966 PolarHBondContact O-N 2.8Å
965Y69.1Low76.3Confident92 Ų9257.9 Ų57.936%0.36134%0.34SS..PPolyproline II helixtrans-58.8133.3176.3-51.8-58.9000109.9P924 D967 E982 Q984P924-Y965 VanDerWaalsContact CD-OH 3.3Å; P924-Y965 WeakPolarHBondContact CD-OH 3.33Å; Y965-D967 PolarHBondContact O-N 3.14Å; Y965-E982 PolarHBondContact OH-O 2.97Å; Y965-Q984 HydrophobicContact CD1-CB 3.55Å; Y965-Q984 HydrophobicContact CD1-CG 4.47Å; Y965-Q984 HydrophobicContact CE1-CB 3.75Å
966G59.2Low76.4Confident47 Ų4758.6 Ų58.649%0.48534%0.342SS..PPolyproline II helixtrans-68.1130.1170.900000109.8S964 E968S964-G966 PolarHBondContact O-N 2.8Å; G966-E968 PolarHBondContact O-N 3.43Å
967D46.2Very low76.7Confident165 Ų16559.6 Ų59.688%0.88235%0.347SS*.SBendtrans-64.8127.6169.8-71.3-37.7000108.6Y965Y965-D967 PolarHBondContact O-N 3.14Å
968E51.4Low76.8Confident182 Ų18260.3 Ų60.385%0.8535%0.348SS*.  trans73.3102.9-174.7-60.8-170160.100116.9G966G966-E968 PolarHBondContact O-N 3.43Å
969V55.9Low76.7Confident59 Ų5966 Ų6636%0.35838%0.379SS..  trans-107.387.7178.5-157.30000109.4N977V969-N977 HydrophobicContact CB-CB 4.3Å; V969-N977 HydrophobicContact CG1-CB 3.06Å; V969-N977 WeakPolarHBondContact CG1-ND2 3.34Å
970T61.9Low76.4Confident103 Ų10366 Ų6663%0.63238%0.378SS*.  trans-81122.4176.850.70000110.6T972T970-T972 PolarHBondContact O-N 3.47Å
971N72.5Confident75.7Confident91 Ų9170.6 Ų70.649%0.48740%0.402SS..  trans-65.9128.9166.8-70.5-23.9000109C975 Y976 N977N971-C975 WeakPolarHBondContact CA-O 3.06Å; N971-Y976 HydrophobicContact CB-CD1 4.45Å; N971-N977 PolarHBondContact OD1-N 3.47Å
972T76.1Confident75.3Confident81 Ų8174.8 Ų74.850%0.49742%0.419SS..BIsolated β-bridgetrans-111.8162.417254.90000109.2T970 G974 C975T970-T972 PolarHBondContact O-N 3.47Å; T972-G974 PolarHBondContact O-N 2.83Å; T972-G974 VanDerWaalsContact O-N 3.12Å; T972-C975 PolarHBondContact N-O 3.17Å; T972-C975 VanDerWaalsContact N-O 3.08Å; T972-C975 CarbonylContact O-C 3.59Å; T972-C975 PolarHBondContact O-N 3.18Å; T972-C975 WeakPolarHBondContact OG1-CB 3.37Å
973L77.6Confident75.4Confident120 Ų12072.8 Ų72.863%0.62841%0.407SS*.THydrogen-bonded Turntrans-53.1124.6177.9-166.678.4000109.2Y907 C975 L991Y907-L973 HydrophobicContact CE1-CD1 4.35Å; Y907-L973 WeakPolarHBondContact OH-CD1 3.45Å; L973-C975 VanDerWaalsContact C-N 3.28Å; L973-C975 PolarHBondContact O-N 2.91Å; L973-L991 HydrophobicContact CD2-CD1 4.29Å; L973-L991 HydrophobicContact CD2-CD2 4.21Å; L973-L991 HydrophobicContact CG-CD1 4.47Å; L973-L991 HydrophobicContact CG-CD2 4.19Å; L973-L991 WeakPolarHBondContact O-CD1 3.39Å
974G79Confident75.7Confident1 Ų172.6 Ų72.61%0.0140%0.4CS..THydrogen-bonded Turntrans75.7-2.1-177.100000116.3T972 T988 F989T972-G974 PolarHBondContact O-N 2.83Å; T972-G974 VanDerWaalsContact O-N 3.12Å; G974-T988 CarbonylContact O-C 3.58Å; G974-T988 WeakPolarHBondContact O-CA 3.32Å; G974-F989 PolarHBondContact O-N 2.84Å
975C86.7Confident76.8Confident26 Ų2667 Ų6718%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-129.6112.7175.7-167.40000111.5N971 T972 L973 T988N971-C975 WeakPolarHBondContact CA-O 3.06Å; T972-C975 PolarHBondContact N-O 3.17Å; T972-C975 VanDerWaalsContact N-O 3.08Å; T972-C975 CarbonylContact O-C 3.59Å; T972-C975 PolarHBondContact O-N 3.18Å; T972-C975 WeakPolarHBondContact OG1-CB 3.37Å; L973-C975 VanDerWaalsContact C-N 3.28Å; L973-C975 PolarHBondContact O-N 2.91Å; C975-T988 HydrophobicContact CB-CG2 4.4Å; C975-T988 PolarHBondContact SG-OG1 3.26Å
976Y89.1Confident77.9Confident16 Ų1663.8 Ų63.86%0.06335%0.352CS..EExtended strand (participates in β ladder)trans-113.3129.7-177.3-59.4-75.9000110.9L901 P902 E905 Y907 I908 N971 F978 S986 V987 F989L901-Y976 HydrophobicContact CD2-CD2 3.81Å; L901-Y976 HydrophobicContact CD2-CG 4.04Å; P902-Y976 HydrophobicContact CG-CD1 4.01Å; P902-Y976 HydrophobicContact CG-CE1 3.51Å; E905-Y976 VanDerWaalsContact CD-OH 3.23Å; E905-Y976 PolarHBondContact OE1-OH 3.42Å; E905-Y976 PolarHBondContact OE2-OH 3.18Å; Y907-Y976 HydrophobicContact CE2-CE2 4.28Å; Y907-Y976 PolarHBondContact OH-OH 3.22Å; I908-Y976 HydrophobicContact CD1-CE2 3.73Å; N971-Y976 HydrophobicContact CB-CD1 4.45Å; Y976-F978 HydrophobicContact CG-CZ 4.4Å; Y976-S986 CarbonylContact O-C 3.5Å; Y976-S986 WeakPolarHBondContact O-CA 3.48Å; Y976-V987 PolarHBondContact N-O 3.42Å; Y976-V987 PolarHBondContact O-N 3.36Å; Y976-F989 HydrophobicContact CD2-CD2 4.13Å; Y976-F989 HydrophobicContact CD2-CE2 4.13Å; Y976-F989 HydrophobicContact CE2-CD2 4.15Å; Y976-F989 HydrophobicContact CE2-CE2 4.38Å
977N89.1Confident79.4Confident31 Ų3161.5 Ų61.517%0.16633%0.328CS..EExtended strand (participates in β ladder)trans-115.4140.1179-57.3-75.5000111.3V969 N971 V985 S986V969-N977 HydrophobicContact CB-CB 4.3Å; V969-N977 HydrophobicContact CG1-CB 3.06Å; V969-N977 WeakPolarHBondContact CG1-ND2 3.34Å; N971-N977 PolarHBondContact OD1-N 3.47Å; N977-V985 CarbonylContact C-O 3.5Å; N977-V985 VanDerWaalsContact CA-O 3.31Å; N977-V985 WeakPolarHBondContact CA-O 3.34Å; N977-S986 WeakPolarHBondContact OD1-CB 2.98Å; N977-S986 PolarHBondContact OD1-OG 3.45Å
978F89.5Confident81.4Confident28 Ų2856.3 Ų56.312%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-136143.8-176.1-51.5-80.6000110.6L897 L901 Y976 I980 Q984 V985 V987L897-F978 HydrophobicContact CD2-CB 4.43Å; L897-F978 HydrophobicContact CD2-CD2 3.62Å; L897-F978 HydrophobicContact CD2-CE2 4.19Å; L897-F978 HydrophobicContact CD2-CG 4.21Å; L901-F978 HydrophobicContact CD2-CE2 4.06Å; L901-F978 HydrophobicContact CD2-CZ 3.81Å; L901-F978 HydrophobicContact CG-CE2 4.44Å; L901-F978 HydrophobicContact CG-CZ 4.12Å; Y976-F978 HydrophobicContact CG-CZ 4.4Å; F978-I980 HydrophobicContact CB-CD1 3.87Å; F978-I980 HydrophobicContact CB-CG1 3.93Å; F978-Q984 CarbonylContact O-C 3.38Å; F978-Q984 WeakPolarHBondContact O-CA 3.43Å; F978-V985 PolarHBondContact N-O 2.73Å; F978-V985 PolarHBondContact O-N 3.26Å; F978-V987 HydrophobicContact CD2-CG2 4.21Å; F978-V987 HydrophobicContact CE2-CB 4.34Å; F978-V987 HydrophobicContact CE2-CG2 3.96Å
979N88.9Confident83Confident120 Ų12047.8 Ų47.864%0.64226%0.263SS*.EExtended strand (participates in β ladder)trans-102.6109.7167.2-70.3-28000108.4M983N979-M983 CarbonylContact C-O 3.58Å; N979-M983 WeakPolarHBondContact CA-O 3.25Å
980I86.2Confident83.9Confident18 Ų1846.3 Ų46.39%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-133.8120.3-175.5-56.4175.1000108.4L893 L897 F978 E982 M983L893-I980 HydrophobicContact CD1-CB 4.15Å; L893-I980 HydrophobicContact CD1-CD1 4.09Å; L893-I980 HydrophobicContact CD1-CG2 3.93Å; L897-I980 HydrophobicContact CD2-CD1 3.58Å; L897-I980 HydrophobicContact CG-CD1 3.98Å; F978-I980 HydrophobicContact CB-CD1 3.87Å; F978-I980 HydrophobicContact CB-CG1 3.93Å; I980-E982 PolarHBondContact O-N 2.79Å; I980-M983 PolarHBondContact N-O 3.33Å; I980-M983 WeakPolarHBondContact O-CA 3.1Å; I980-M983 VanDerWaalsContact O-CB 3.24Å; I980-M983 WeakPolarHBondContact O-CB 3.06Å; I980-M983 WeakPolarHBondContact O-CE 3.43Å; I980-M983 PolarHBondContact O-N 2.9Å
981N78.2Confident84.2Confident97 Ų9745 Ų4552%0.51924%0.243SC..THydrogen-bonded Turntrans48.155.6174.1-60.2-16000114.2M983N981-M983 HydrophobicContact CB-CE 3.85Å; N981-M983 PolarHBondContact O-N 3.07Å; N981-M983 VanDerWaalsContact O-N 3.14Å
982E83.1Confident83.9Confident111 Ų11143.7 Ų43.752%0.51925%0.251SS..THydrogen-bonded Turntrans61.215.4-176.2-47.8178.117400114.7P924 S927 Y965 I980P924-E982 WeakPolarHBondContact CD-O 3.46Å; S927-E982 PolarHBondContact OG-OE2 2.86Å; Y965-E982 PolarHBondContact OH-O 2.97Å; I980-E982 PolarHBondContact O-N 2.79Å
983M89.8Confident83.1Confident1 Ų146.8 Ų46.81%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-112134173.2-61.8171.2-79.900109.6L893 I921 I923 V929 M932 N979 I980 N981 V985L893-M983 HydrophobicContact CD1-CE 4.16Å; L893-M983 HydrophobicContact CD2-CE 4.18Å; L893-M983 HydrophobicContact CD2-SD 4.11Å; I921-M983 HydrophobicContact CG2-CB 4Å; I921-M983 HydrophobicContact CG2-CG 4Å; I921-M983 HydrophobicContact CG2-SD 3.99Å; I923-M983 HydrophobicContact CG2-CB 4.35Å; I923-M983 HydrophobicContact CG2-CG 3.6Å; V929-M983 HydrophobicContact CG2-CG 3.9Å; V929-M983 HydrophobicContact CG2-SD 4.17Å; M932-M983 HydrophobicContact CE-SD 4.27Å; N979-M983 CarbonylContact C-O 3.58Å; N979-M983 WeakPolarHBondContact CA-O 3.25Å; I980-M983 PolarHBondContact N-O 3.33Å; I980-M983 WeakPolarHBondContact O-CA 3.1Å; I980-M983 VanDerWaalsContact O-CB 3.24Å; I980-M983 WeakPolarHBondContact O-CB 3.06Å; I980-M983 WeakPolarHBondContact O-CE 3.43Å; I980-M983 PolarHBondContact O-N 2.9Å; N981-M983 HydrophobicContact CB-CE 3.85Å; N981-M983 PolarHBondContact O-N 3.07Å; N981-M983 VanDerWaalsContact O-N 3.14Å; M983-V985 HydrophobicContact CB-CG2 3.83Å
984Q91Very high82.3Confident19 Ų1948.2 Ų48.29%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-93.2114.1163-177.1-179.4900107.5T922 Y965 F978T922-Q984 PolarHBondContact N-O 3.43Å; T922-Q984 PolarHBondContact O-N 2.78Å; Y965-Q984 HydrophobicContact CD1-CB 3.55Å; Y965-Q984 HydrophobicContact CD1-CG 4.47Å; Y965-Q984 HydrophobicContact CE1-CB 3.75Å; F978-Q984 CarbonylContact O-C 3.38Å; F978-Q984 WeakPolarHBondContact O-CA 3.43Å
985V92.5Very high81.8Confident0 Ų049.1 Ų49.10%027%0.273CS..EExtended strand (participates in β ladder)trans-114.5118-172.4-173.50000109.8L893 L897 V919 H920 I921 N977 F978 M983 V987L893-V985 HydrophobicContact CD1-CG2 4.16Å; L897-V985 HydrophobicContact CD1-CG1 4.09Å; L897-V985 HydrophobicContact CD2-CB 4.14Å; L897-V985 HydrophobicContact CD2-CG1 3.77Å; V919-V985 HydrophobicContact CG1-CG1 3.78Å; H920-V985 CarbonylContact O-C 3.56Å; H920-V985 WeakPolarHBondContact O-CA 3.42Å; I921-V985 HydrophobicContact CG1-CG1 4.15Å; I921-V985 HydrophobicContact CG1-CG2 4.26Å; I921-V985 HydrophobicContact CG2-CG2 4.42Å; N977-V985 CarbonylContact C-O 3.5Å; N977-V985 VanDerWaalsContact CA-O 3.31Å; N977-V985 WeakPolarHBondContact CA-O 3.34Å; F978-V985 PolarHBondContact N-O 2.73Å; F978-V985 PolarHBondContact O-N 3.26Å; M983-V985 HydrophobicContact CB-CG2 3.83Å; V985-V987 HydrophobicContact CG1-CG2 4.24Å
986S91.7Very high81.3Confident23 Ų2350.4 Ų50.416%0.16128%0.278CS..EExtended strand (participates in β ladder)trans-99.7123.7173.8-540000109.6V919 H920 Y976 N977V919-S986 CarbonylContact C-O 3.6Å; V919-S986 WeakPolarHBondContact CA-O 3.35Å; H920-S986 PolarHBondContact N-O 2.76Å; H920-S986 PolarHBondContact O-N 2.78Å; Y976-S986 CarbonylContact O-C 3.5Å; Y976-S986 WeakPolarHBondContact O-CA 3.48Å; N977-S986 WeakPolarHBondContact OD1-CB 2.98Å; N977-S986 PolarHBondContact OD1-OG 3.45Å
987V90.8Very high80.9Confident0 Ų054 Ų540%029%0.294CS..EExtended strand (participates in β ladder)trans-114.1110.3176.9-175.70000108.2L897 L901 L914 A917 Y976 F978 V985 F989L897-V987 HydrophobicContact CD2-CG2 4.02Å; L901-V987 HydrophobicContact CD2-CG1 4.43Å; L914-V987 HydrophobicContact CD2-CG1 4.02Å; A917-V987 HydrophobicContact CB-CG1 3.73Å; Y976-V987 PolarHBondContact N-O 3.42Å; Y976-V987 PolarHBondContact O-N 3.36Å; F978-V987 HydrophobicContact CD2-CG2 4.21Å; F978-V987 HydrophobicContact CE2-CB 4.34Å; F978-V987 HydrophobicContact CE2-CG2 3.96Å; V985-V987 HydrophobicContact CG1-CG2 4.24Å; V987-F989 HydrophobicContact CG1-CD2 4.37Å; V987-F989 HydrophobicContact CG1-CE2 3.68Å; V987-F989 HydrophobicContact CG1-CZ 4.07Å
988T88.5Confident80.5Confident55 Ų5552.6 Ų52.634%0.33729%0.286SS..EExtended strand (participates in β ladder)trans-109.4121.5-177.8-47.10000110.6A917 N918 G974 C975A917-T988 CarbonylContact C-O 3.48Å; A917-T988 VanDerWaalsContact CA-O 3.32Å; A917-T988 WeakPolarHBondContact CA-O 3.48Å; N918-T988 PolarHBondContact N-O 2.86Å; N918-T988 PolarHBondContact O-N 3.32Å; G974-T988 CarbonylContact O-C 3.58Å; G974-T988 WeakPolarHBondContact O-CA 3.32Å; C975-T988 HydrophobicContact CB-CG2 4.4Å; C975-T988 PolarHBondContact SG-OG1 3.26Å
989F84.7Confident80.3Confident4 Ų455.5 Ų55.52%0.01830%0.3CS..PPolyproline II helixtrans-95.4137.3169.9-65.6-89.7000109.8L901 Y907 I908 L914 A917 G974 Y976 V987 L991L901-F989 HydrophobicContact CD1-CE2 4.46Å; L901-F989 HydrophobicContact CD1-CZ 4.19Å; L901-F989 HydrophobicContact CD2-CE2 3.89Å; L901-F989 HydrophobicContact CD2-CZ 4.41Å; Y907-F989 HydrophobicContact CD2-CB 4.04Å; Y907-F989 HydrophobicContact CD2-CG 4.4Å; I908-F989 HydrophobicContact CD1-CE2 4.24Å; I908-F989 HydrophobicContact CG1-CD2 4.19Å; I908-F989 HydrophobicContact CG1-CE1 4.46Å; I908-F989 HydrophobicContact CG1-CE2 4.06Å; I908-F989 HydrophobicContact CG1-CG 4.46Å; I908-F989 HydrophobicContact CG1-CZ 4.2Å; I908-F989 HydrophobicContact CG2-CE1 4.48Å; I908-F989 HydrophobicContact CG2-CZ 4.17Å; L914-F989 HydrophobicContact CD2-CZ 4.29Å; A917-F989 HydrophobicContact CB-CD1 3.94Å; A917-F989 HydrophobicContact CB-CE1 3.66Å; A917-F989 HydrophobicContact CB-CE2 4.36Å; A917-F989 HydrophobicContact CB-CG 4.42Å; A917-F989 HydrophobicContact CB-CZ 3.88Å; G974-F989 PolarHBondContact O-N 2.84Å; Y976-F989 HydrophobicContact CD2-CD2 4.13Å; Y976-F989 HydrophobicContact CD2-CE2 4.13Å; Y976-F989 HydrophobicContact CE2-CD2 4.15Å; Y976-F989 HydrophobicContact CE2-CE2 4.38Å; V987-F989 HydrophobicContact CG1-CD2 4.37Å; V987-F989 HydrophobicContact CG1-CE2 3.68Å; V987-F989 HydrophobicContact CG1-CZ 4.07Å; F989-L991 PolarHBondContact O-N 2.9Å
990P74.7Confident80.2Confident28 Ų2850 Ų5018%0.18227%0.271CS..PPolyproline II helixtrans-63.8130.8173.827.2-34.7000110.4S916 T995S916-P990 WeakPolarHBondContact O-CD 3.45Å; P990-T995 HydrophobicContact CB-CG2 3.51Å; P990-T995 WeakPolarHBondContact CB-OG1 3.47Å; P990-T995 HydrophobicContact CG-CG2 3.73Å; P990-T995 WeakPolarHBondContact CG-OG1 3.45Å
991L69.8Low80Confident75 Ų7549.5 Ų49.539%0.39327%0.268SS..PPolyproline II helixtrans-95123.1174.3-65.3174.1000109.5Y907 L973 F989Y907-L991 HydrophobicContact CD1-CD2 4.33Å; Y907-L991 HydrophobicContact CE1-CD2 4.31Å; L973-L991 HydrophobicContact CD2-CD1 4.29Å; L973-L991 HydrophobicContact CD2-CD2 4.21Å; L973-L991 HydrophobicContact CG-CD1 4.47Å; L973-L991 HydrophobicContact CG-CD2 4.19Å; L973-L991 WeakPolarHBondContact O-CD1 3.39Å; F989-L991 PolarHBondContact O-N 2.9Å
992G64.2Low80.2Confident63 Ų6348.7 Ų48.765%0.64926%0.262SS*.SBendtrans78.7-166.917900000115.1Q994G992-Q994 PolarHBondContact O-N 3.31Å
993D59.8Low79.9Confident147 Ų14744.7 Ų44.779%0.78624%0.242SC*.THydrogen-bonded Turntrans-7214.9-172.2-65.7-29.1000115.1T995D993-T995 VanDerWaalsContact C-N 3.27Å; D993-T995 PolarHBondContact O-N 3.29Å
994Q61.4Low79.4Confident149 Ų14948 Ų4870%0.69625%0.254SS*.THydrogen-bonded Turntrans-73.5-15.5-173.3-65.4-171.1-5.700114.3G992G992-Q994 PolarHBondContact O-N 3.31Å
995T68.7Low78.5Confident21 Ų2148.5 Ų48.513%0.12926%0.259CS..  trans-123.6130177.549.80000111.4P990 D993 N1006P990-T995 HydrophobicContact CB-CG2 3.51Å; P990-T995 WeakPolarHBondContact CB-OG1 3.47Å; P990-T995 HydrophobicContact CG-CG2 3.73Å; P990-T995 WeakPolarHBondContact CG-OG1 3.45Å; D993-T995 VanDerWaalsContact C-N 3.27Å; D993-T995 PolarHBondContact O-N 3.29Å; T995-N1006 WeakPolarHBondContact CG2-OD1 3.26Å
996I75.7Confident77.3Confident53 Ų5354 Ų5427%0.27229%0.288SS..EExtended strand (participates in β ladder)trans-100.2135.3175.3-59.8171.5000108.9C998 Y1004 T1005I996-C998 PolarHBondContact O-N 3.37Å; I996-Y1004 WeakPolarHBondContact O-CA 3.41Å; I996-T1005 PolarHBondContact N-O 3.16Å; I996-T1005 PolarHBondContact O-N 3.44Å
997K79.8Confident75.8Confident92 Ų9255.6 Ų55.640%0.430%0.295SS..EExtended strand (participates in β ladder)trans-75.3118.9171.5-172.9178.7-177.1176.10110.1Q999 H1002 Y1004K997-Q999 PolarHBondContact O-N 2.59Å; K997-H1002 WeakPolarHBondContact CE-O 3.36Å; K997-Y1004 HydrophobicContact CB-CD1 4.18Å; K997-Y1004 HydrophobicContact CB-CE1 3.84Å; K997-Y1004 HydrophobicContact CB-CE2 4.39Å; K997-Y1004 HydrophobicContact CD-CE2 4.3Å; K997-Y1004 HydrophobicContact CG-CE2 4.21Å
998C82.4Confident74Confident0 Ų062.3 Ų62.30%033%0.331CS..PPolyproline II helixtrans-57.9123.6175177.80000110.8I996 R1000 C1001 H1002 R1003 T1012 C1014I996-C998 PolarHBondContact O-N 3.37Å; C998-R1000 PolarHBondContact O-N 2.77Å; C998-C1001 PolarHBondContact SG-N 2.87Å; C998-C1001 PolarHBondContact SG-SG 3.4Å; C998-H1002 WeakPolarHBondContact O-CA 3.35Å; C998-H1002 PolarHBondContact O-N 2.9Å; C998-H1002 PolarHBondContact O-ND1 2.9Å; C998-R1003 VanDerWaalsContact CB-O 3.25Å; C998-R1003 WeakPolarHBondContact CB-O 3.33Å; C998-R1003 PolarHBondContact N-O 2.99Å; C998-T1012 CarbonylContact C-O 3.6Å; C998-T1012 WeakPolarHBondContact CA-O 3.05Å; C998-C1014 HydrophobicContact CB-CB 4.12Å; C998-C1014 PolarHBondContact SG-N 3.23Å; C998-C1014 VanDerWaalsContact SG-N 3.4Å
999Q83.9Confident72.2Confident90 Ų9067.6 Ų67.642%0.42135%0.35SS..THydrogen-bonded Turntrans-71.6-14.1-177.1-69.6-66.5-20.300113.6S21 Y23 K997 T1012S21-Q999 PolarHBondContact OG-O 3.01Å; Y23-Q999 HydrophobicContact CD2-CB 3.8Å; Y23-Q999 HydrophobicContact CE2-CB 3.56Å; K997-Q999 PolarHBondContact O-N 2.59Å; Q999-T1012 HydrophobicContact CG-CG2 4.49Å; Q999-T1012 PolarHBondContact N-O 3.46Å
1000R86.5Confident70.6Confident4 Ų476.9 Ų76.92%0.01539%0.39CS..THydrogen-bonded Turntrans-94.1-60.6176.1-174.9170.4177.5-88.7-2.4113.1Y23 T26 L27 F785 C998 L1013 C1017Y23-R1000 HydrophobicContact CD2-CB 4.37Å; Y23-R1000 HydrophobicContact CG-CB 4.15Å; T26-R1000 PolarHBondContact O-NH2 2.91Å; T26-R1000 VanDerWaalsContact O-NH2 3.12Å; T26-R1000 PolarHBondContact OG1-NE 3.44Å; T26-R1000 VanDerWaalsContact OG1-NE 3.16Å; L27-R1000 HydrophobicContact CD2-CG 3.92Å; F785-R1000 HydrophobicContact CD1-CG 4.43Å; F785-R1000 WeakPolarHBondContact CE1-O 3.37Å; F785-R1000 PolarHBondContact O-NH1 3.26Å; F785-R1000 PolarHBondContact O-NH2 3.24Å; F785-R1000 VanDerWaalsContact O-NH2 3.11Å; C998-R1000 PolarHBondContact O-N 2.77Å; R1000-L1013 HydrophobicContact CB-CD2 3.6Å; R1000-C1017 HydrophobicContact CB-CB 4.27Å; R1000-C1017 PolarHBondContact NH1-SG 3.23Å; R1000-C1017 VanDerWaalsContact NH1-SG 3.44Å
1001C84Confident70Confident7 Ų779.9 Ų79.95%0.04741%0.405CS..THydrogen-bonded Turntrans-96.2-6.3-176.570.90000114.7F785 C998 R1003F785-C1001 HydrophobicContact CB-CB 4.13Å; F785-C1001 HydrophobicContact CD1-CB 3.96Å; F785-C1001 HydrophobicContact CD2-CB 3.68Å; F785-C1001 HydrophobicContact CE1-CB 4.33Å; F785-C1001 HydrophobicContact CE2-CB 4.07Å; F785-C1001 HydrophobicContact CG-CB 3.66Å; F785-C1001 HydrophobicContact CZ-CB 4.39Å; C998-C1001 PolarHBondContact SG-N 2.87Å; C998-C1001 PolarHBondContact SG-SG 3.4Å; C1001-R1003 PolarHBondContact O-N 2.68Å; C1001-R1003 VanDerWaalsContact O-N 3.14Å
1002H81.5Confident70.5Confident81 Ų8179.5 Ų79.538%0.37541%0.406SS..  trans64.69.9178.7-56.2-45.2000116.7K997 C998K997-H1002 WeakPolarHBondContact CE-O 3.36Å; C998-H1002 WeakPolarHBondContact O-CA 3.35Å; C998-H1002 PolarHBondContact O-N 2.9Å; C998-H1002 PolarHBondContact O-ND1 2.9Å
1003R77.6Confident71.3Confident27 Ų2777.3 Ų77.310%0.10238%0.379CS..  trans-80152.2168.5-64.1-172.5179.2-145.111.1111.9D781 V945 C998 C1001D781-R1003 IonicContact OD1-CZ 3.7Å; D781-R1003 IonicContact OD1-NE 2.65Å; D781-R1003 PolarHBondContact OD1-NE 3.31Å; D781-R1003 IonicContact OD1-NH2 2.64Å; D781-R1003 PolarHBondContact OD1-NH2 3.03Å; D781-R1003 IonicContact OD2-CZ 2.82Å; D781-R1003 IonicContact OD2-NE 3.45Å; D781-R1003 IonicContact OD2-NH2 3.95Å; D781-R1003 PolarHBondContact OD2-NH2 2.91Å; V945-R1003 PolarHBondContact O-NH1 3.42Å; C998-R1003 VanDerWaalsContact CB-O 3.25Å; C998-R1003 WeakPolarHBondContact CB-O 3.33Å; C998-R1003 PolarHBondContact N-O 2.99Å; C1001-R1003 PolarHBondContact O-N 2.68Å; C1001-R1003 VanDerWaalsContact O-N 3.14Å
1004Y77.3Confident72.4Confident69 Ų6970.9 Ų70.927%0.27135%0.345SS..EExtended strand (participates in β ladder)trans-85.6142.3176.2-72.4-100.1000110.5S915 S956 I996 K997S915-Y1004 WeakPolarHBondContact O-CD2 3.34Å; S956-Y1004 PolarHBondContact OG-O 3.37Å; I996-Y1004 WeakPolarHBondContact O-CA 3.41Å; K997-Y1004 HydrophobicContact CB-CD1 4.18Å; K997-Y1004 HydrophobicContact CB-CE1 3.84Å; K997-Y1004 HydrophobicContact CB-CE2 4.39Å; K997-Y1004 HydrophobicContact CD-CE2 4.3Å; K997-Y1004 HydrophobicContact CG-CE2 4.21Å
1005T72.9Confident73.3Confident30 Ų3067.2 Ų67.218%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-144.1148.2-178.4-174.30000110.5I996 N1007 C1014I996-T1005 PolarHBondContact N-O 3.16Å; I996-T1005 PolarHBondContact O-N 3.44Å; T1005-N1007 HydrophobicContact CG2-CB 4.16Å; T1005-N1007 PolarHBondContact O-N 3.11Å; T1005-C1014 HydrophobicContact CG2-CB 3.83Å
1006N67.9Low74.1Confident116 Ų11668.1 Ų68.162%0.6234%0.335SS*.  trans-86.627.5178.6-68.84.1000112.7T995 N1008T995-N1006 WeakPolarHBondContact CG2-OD1 3.26Å; N1006-N1008 PolarHBondContact O-N 2.72Å
1007N59.5Low74.6Confident57 Ų5765.6 Ų65.631%0.30532%0.322SS..  trans-75.2131.3-172-129.613000110.4T1005 F1009T1005-N1007 HydrophobicContact CG2-CB 4.16Å; T1005-N1007 PolarHBondContact O-N 3.11Å; N1007-F1009 PolarHBondContact O-N 3.12Å
1008N54.3Low74.9Confident141 Ų14163.2 Ų63.275%0.75431%0.313SS*.  trans-57.6105.2-174.2-80.7-26.1000112.6N1006 K1010N1006-N1008 PolarHBondContact O-N 2.72Å; N1008-K1010 VanDerWaalsContact C-N 3.27Å; N1008-K1010 PolarHBondContact O-N 3.16Å
1009F49.5Very low75Confident166 Ų16670.1 Ų70.173%0.72835%0.346SS*.SBendtrans37.36.7150.4-69.7-79.8000123N1007N1007-F1009 PolarHBondContact O-N 3.12Å
1010K52.3Low75.1Confident198 Ų19867 Ų6786%0.86133%0.333SS*.SBendtrans-123.4-28.7173.9-78.8-172.8176.8-179.30115.8N1008N1008-K1010 VanDerWaalsContact C-N 3.27Å; N1008-K1010 PolarHBondContact O-N 3.16Å
1011D61.1Low75Confident92 Ų9268.3 Ų68.349%0.49234%0.34SS..  trans-106.6126.4-178-69.6-41.5000112.5L1013 I1018D1011-L1013 PolarHBondContact O-N 3.48Å; D1011-L1013 VanDerWaalsContact O-N 3.16Å; D1011-I1018 HydrophobicContact CB-CD1 4.22Å
1012T79.3Confident74.9Confident67 Ų6772.5 Ų72.541%0.41136%0.362SS..SBendtrans-75.36.8174.163.60000113.2Y23 C998 Q999Y23-T1012 PolarHBondContact OH-OG1 2.66Å; C998-T1012 CarbonylContact C-O 3.6Å; C998-T1012 WeakPolarHBondContact CA-O 3.05Å; Q999-T1012 HydrophobicContact CG-CG2 4.49Å; Q999-T1012 PolarHBondContact N-O 3.46Å
1013L81.9Confident74.1Confident17 Ų1770.5 Ų70.59%0.08936%0.363CS..SBendtrans-120.5144.2-174.9-63.8178.5000111Y23 R1000 D1011 C1017 I1018 L1021Y23-L1013 HydrophobicContact CD1-CD2 4.42Å; Y23-L1013 HydrophobicContact CD2-CD2 4.19Å; Y23-L1013 HydrophobicContact CE1-CD1 3.89Å; Y23-L1013 HydrophobicContact CE1-CD2 4.09Å; Y23-L1013 HydrophobicContact CE1-CG 4.37Å; Y23-L1013 HydrophobicContact CE2-CD2 3.85Å; Y23-L1013 HydrophobicContact CG-CD2 4.46Å; R1000-L1013 HydrophobicContact CB-CD2 3.6Å; D1011-L1013 PolarHBondContact O-N 3.48Å; D1011-L1013 VanDerWaalsContact O-N 3.16Å; L1013-C1017 HydrophobicContact CB-CB 4.4Å; L1013-C1017 HydrophobicContact CD2-CB 4.41Å; L1013-I1018 HydrophobicContact CB-CD1 4.36Å; L1013-I1018 HydrophobicContact CB-CG1 3.75Å; L1013-I1018 HydrophobicContact CD1-CG1 4.45Å; L1013-L1021 HydrophobicContact CD1-CD1 3.59Å
1014C82.4Confident73.1Confident12 Ų1271.8 Ų71.88%0.08138%0.376CS..  trans-77.9158.617270.90000111.7C998 T1005 R1016 C1017 I1018C998-C1014 HydrophobicContact CB-CB 4.12Å; C998-C1014 PolarHBondContact SG-N 3.23Å; C998-C1014 VanDerWaalsContact SG-N 3.4Å; T1005-C1014 HydrophobicContact CG2-CB 3.83Å; C1014-R1016 VanDerWaalsContact C-N 3.28Å; C1014-R1016 PolarHBondContact O-N 3.22Å; C1014-R1016 VanDerWaalsContact O-N 3.17Å; C1014-C1017 PolarHBondContact O-N 2.89Å; C1014-C1017 VanDerWaalsContact SG-SG 3.7Å; C1014-I1018 PolarHBondContact O-N 3.13Å
1015P81.9Confident71.5Confident71 Ų7174.2 Ų74.246%0.46139%0.393SS..Hα-helixtrans-51.5-42.3-177.6-29.535.5000114.2C1017 I1018 Q1019P1015-C1017 PolarHBondContact O-N 3.04Å; P1015-I1018 PolarHBondContact O-N 3.34Å; P1015-Q1019 PolarHBondContact O-N 3.14Å
1016R83.9Confident69.9Low40 Ų4076.9 Ų76.915%0.15141%0.413CS..Hα-helixtrans-59.2-43.3175.5172.1176.2159.7-147.9-7.7112.6D781 N786 C1014 V1020D781-R1016 PolarHBondContact O-NH2 2.86Å; D781-R1016 IonicContact OD2-CZ 2.73Å; D781-R1016 IonicContact OD2-NH1 3.87Å; D781-R1016 PolarHBondContact OD2-NH1 3.03Å; D781-R1016 IonicContact OD2-NH2 3.76Å; D781-R1016 PolarHBondContact OD2-NH2 2.71Å; N786-R1016 PolarHBondContact OD1-NE 2.99Å; N786-R1016 PolarHBondContact OD1-NH2 2.89Å; C1014-R1016 VanDerWaalsContact C-N 3.28Å; C1014-R1016 PolarHBondContact O-N 3.22Å; C1014-R1016 VanDerWaalsContact O-N 3.17Å; R1016-V1020 VanDerWaalsContact O-CG2 3.31Å; R1016-V1020 WeakPolarHBondContact O-CG2 3.31Å; R1016-V1020 PolarHBondContact O-N 3.43Å; R1016-V1020 VanDerWaalsContact O-N 3.14Å
1017C86.2Confident68.5Low0 Ų075.7 Ų75.70%041%0.414CS..Hα-helixtrans-72.2-34.1-179.5-79.10000112.3R1000 L1013 C1014 P1015 L1021R1000-C1017 HydrophobicContact CB-CB 4.27Å; R1000-C1017 PolarHBondContact NH1-SG 3.23Å; R1000-C1017 VanDerWaalsContact NH1-SG 3.44Å; L1013-C1017 HydrophobicContact CB-CB 4.4Å; L1013-C1017 HydrophobicContact CD2-CB 4.41Å; C1014-C1017 PolarHBondContact O-N 2.89Å; C1014-C1017 VanDerWaalsContact SG-SG 3.7Å; P1015-C1017 PolarHBondContact O-N 3.04Å; C1017-L1021 WeakPolarHBondContact O-CG 3.31Å; C1017-L1021 PolarHBondContact O-N 3.4Å; C1017-L1021 VanDerWaalsContact O-N 3.16Å
1018I86.4Confident67.3Low42 Ų4282 Ų8222%0.21544%0.439CS..Hα-helixtrans-60.6-52.8173-65.5169.8000109D1011 L1013 C1014 P1015 V1020 L1021 D1022D1011-I1018 HydrophobicContact CB-CD1 4.22Å; L1013-I1018 HydrophobicContact CB-CD1 4.36Å; L1013-I1018 HydrophobicContact CB-CG1 3.75Å; L1013-I1018 HydrophobicContact CD1-CG1 4.45Å; C1014-I1018 PolarHBondContact O-N 3.13Å; P1015-I1018 PolarHBondContact O-N 3.34Å; I1018-V1020 VanDerWaalsContact C-N 3.3Å; I1018-V1020 PolarHBondContact O-N 3.34Å; I1018-L1021 PolarHBondContact O-N 2.88Å; I1018-D1022 VanDerWaalsContact CG2-OD2 3.31Å; I1018-D1022 WeakPolarHBondContact CG2-OD2 3.4Å; I1018-D1022 PolarHBondContact O-N 2.67Å
1019Q85Confident66Low146 Ų14686.3 Ų86.368%0.68245%0.454SS*.Hα-helixtrans-56-41179.5-172.1-178.77.300113.3P1015 G1023P1015-Q1019 PolarHBondContact O-N 3.14Å; Q1019-G1023 PolarHBondContact O-N 3.16Å
1020V85.6Confident66.8Low24 Ų2482.4 Ų82.415%0.14544%0.44CS..Hα-helixtrans-66.8-39.2178.3171.40000111.9R1016 I1018 S1024R1016-V1020 VanDerWaalsContact O-CG2 3.31Å; R1016-V1020 WeakPolarHBondContact O-CG2 3.31Å; R1016-V1020 PolarHBondContact O-N 3.43Å; R1016-V1020 VanDerWaalsContact O-N 3.14Å; I1018-V1020 VanDerWaalsContact C-N 3.3Å; I1018-V1020 PolarHBondContact O-N 3.34Å; V1020-S1024 PolarHBondContact O-N 2.91Å
1021L85.5Confident67.6Low32 Ų3276.3 Ų76.317%0.16842%0.418CS..Hα-helixtrans-72.3-41.7179-67.7176.3000111.4Y23 T26 L1013 C1017 I1018 S1024 L1025Y23-L1021 HydrophobicContact CD1-CD1 4.2Å; Y23-L1021 HydrophobicContact CE1-CD1 4.26Å; T26-L1021 HydrophobicContact CG2-CD2 3.78Å; L1013-L1021 HydrophobicContact CD1-CD1 3.59Å; C1017-L1021 WeakPolarHBondContact O-CG 3.31Å; C1017-L1021 PolarHBondContact O-N 3.4Å; C1017-L1021 VanDerWaalsContact O-N 3.16Å; I1018-L1021 PolarHBondContact O-N 2.88Å; L1021-S1024 PolarHBondContact O-N 2.9Å; L1021-S1024 PolarHBondContact O-OG 3.42Å; L1021-L1025 PolarHBondContact O-N 3.24Å
1022D81Confident67.9Low95 Ų9575.4 Ų75.451%0.50841%0.414SS..Hα-helixtrans-66.6-42.4179.2-67.9-15.9000111.7I1018 S1024 L1025 S1026I1018-D1022 VanDerWaalsContact CG2-OD2 3.31Å; I1018-D1022 WeakPolarHBondContact CG2-OD2 3.4Å; I1018-D1022 PolarHBondContact O-N 2.67Å; D1022-S1024 PolarHBondContact O-N 2.93Å; D1022-L1025 WeakPolarHBondContact O-CB 3.5Å; D1022-L1025 PolarHBondContact O-N 3.11Å; D1022-L1025 VanDerWaalsContact O-N 3.11Å; D1022-S1026 PolarHBondContact O-N 3.4Å
1023G65.5Low67.3Low39 Ų3975.9 Ų75.940%0.40241%0.414SS..Hα-helixtrans-64.7-24.3175.900000113.9Q1019 S1026Q1019-G1023 PolarHBondContact O-N 3.16Å; G1023-S1026 PolarHBondContact O-OG 3.46Å
1024S55.6Low66.3Low54 Ų5479.6 Ų79.638%0.37844%0.435SS..Hα-helixtrans-79.4-18.1175.773.90000113.8V1020 L1021 D1022 S1027V1020-S1024 PolarHBondContact O-N 2.91Å; L1021-S1024 PolarHBondContact O-N 2.9Å; L1021-S1024 PolarHBondContact O-OG 3.42Å; D1022-S1024 PolarHBondContact O-N 2.93Å; S1024-S1027 PolarHBondContact O-OG 3.42Å
1025L44.2Very low65.3Low119 Ų11984.1 Ų84.162%0.62346%0.458SS*.Hα-helixtrans-81.4-32.3173.7-78.3158000111.6L1021 D1022 S1027L1021-L1025 PolarHBondContact O-N 3.24Å; D1022-L1025 WeakPolarHBondContact O-CB 3.5Å; D1022-L1025 PolarHBondContact O-N 3.11Å; D1022-L1025 VanDerWaalsContact O-N 3.11Å; L1025-S1027 VanDerWaalsContact C-N 3.32Å; L1025-S1027 PolarHBondContact O-N 3.26Å
1026S39.6Very low64.1Low87 Ų8785 Ų8561%0.60846%0.458SS*.Hα-helixtrans-73.2-19176.154.30000114.4D1022 G1023D1022-S1026 PolarHBondContact O-N 3.4Å; G1023-S1026 PolarHBondContact O-OG 3.46Å
1027S38.2Very low62.6Low91 Ų9188.5 Ų88.564%0.63648%0.482SS*.THydrogen-bonded Turntrans-93.63178.871.40000114.1S1024 L1025S1024-S1027 PolarHBondContact O-OG 3.42Å; L1025-S1027 VanDerWaalsContact C-N 3.32Å; L1025-S1027 PolarHBondContact O-N 3.26Å
1028K34.2Very low60.6Low188 Ų18895.8 Ų95.882%0.81752%0.522SS*.  trans-110.20.6175.9-82.7-172.4176-1790113.6
1029H26.2Very low58.3Low233 Ų233100.7 Ų100.7100%1.07955%0.55SS*.  trans-102.40162-80.7-52.4000108.6

Retrieved 1,029 of 1,029 residues in 1068 ms (Link to these results)

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