A0A3Q0KBG5_SCHMA Loading...

Fibrillin-2-like

AlphaFold DB , UniProt , Accession A0A3Q0KBG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 690 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low54.3Low218 Ų218121.5 Ų121.5100%1.07461%0.613SS**  0-31.70-74.1179.5173.500113.8Q3M1-Q3 PolarHBondContact O-N 2.96Å
2N54.3Low54.4Low124 Ų124117.9 Ų117.966%0.66360%0.602SS**Hα-helixtrans-71.7-20.7-174.5-67.31.9000116.8I6N2-I6 PolarHBondContact O-N 3.4Å
3Q49.6Very low54.6Low160 Ų160115.8 Ų115.875%0.74859%0.592SS**Hα-helixtrans-71.2-35.3-177-79172.6-40.400114.1M1 I5 I6 L7M1-Q3 PolarHBondContact O-N 2.96Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 3.43Å; Q3-I6 PolarHBondContact O-N 2.81Å; Q3-L7 PolarHBondContact O-N 2.82Å; Q3-L7 VanDerWaalsContact O-N 3.17Å
4N52.7Low54Low117 Ų117119.4 Ų119.463%0.62660%0.596SS**Hα-helixtrans-70.3-28.8178.8-68.72.4000112.4L8N4-L8 WeakPolarHBondContact O-CG 3.32Å; N4-L8 PolarHBondContact O-N 2.84Å; N4-L8 VanDerWaalsContact O-N 3.12Å
5I56.9Low53.5Low92 Ų92122.3 Ų122.347%0.47260%0.599SS.*Hα-helixtrans-68.7-45175.8-63175.1000109.5Q3 L7 L8 Y9Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 3.43Å; I5-L7 PolarHBondContact O-N 3.2Å; I5-L8 PolarHBondContact O-N 2.76Å; I5-Y9 HydrophobicContact CG2-CD2 3.69Å; I5-Y9 HydrophobicContact CG2-CE2 3.72Å; I5-Y9 WeakPolarHBondContact O-CD2 3.3Å; I5-Y9 PolarHBondContact O-N 3.32Å
6I56.3Low52.9Low109 Ų109122.1 Ų122.156%0.55960%0.6SS**Hα-helixtrans-60.9-44.1177.9-63.5167000110.8N2 Q3 L8 Y9 S10N2-I6 PolarHBondContact O-N 3.4Å; Q3-I6 PolarHBondContact O-N 2.81Å; I6-L8 PolarHBondContact O-N 3.33Å; I6-Y9 PolarHBondContact O-N 2.85Å; I6-S10 WeakPolarHBondContact O-CB 3.24Å; I6-S10 PolarHBondContact O-N 3.18Å; I6-S10 PolarHBondContact O-OG 3.09Å
7L52.4Low52.4Low102 Ų102125.4 Ų125.453%0.53461%0.606SS.*Hα-helixtrans-59.6-43.1174.9-90157.9000113Q3 I5 S10 I11Q3-L7 PolarHBondContact O-N 2.82Å; Q3-L7 VanDerWaalsContact O-N 3.17Å; I5-L7 PolarHBondContact O-N 3.2Å; L7-S10 PolarHBondContact O-N 3.34Å; L7-I11 WeakPolarHBondContact O-CB 3.39Å; L7-I11 WeakPolarHBondContact O-CD1 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.22Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 2.71Å
8L55.5Low51.6Low113 Ų113122.3 Ų122.359%0.59260%0.596SS**Hα-helixtrans-64.6-42.4176.3-75.1165.7000112.1N4 I5 I6 I11 V12N4-L8 WeakPolarHBondContact O-CG 3.32Å; N4-L8 PolarHBondContact O-N 2.84Å; N4-L8 VanDerWaalsContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 2.76Å; I6-L8 PolarHBondContact O-N 3.33Å; L8-I11 PolarHBondContact O-N 3.44Å; L8-V12 WeakPolarHBondContact O-CB 3.26Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.91Å
9Y55.7Low50.8Low154 Ų154123.3 Ų123.360%0.60460%0.604SS**Hα-helixtrans-65.7-38.2173.7-85.5-81.2000112.3I5 I6 V12 I13I5-Y9 HydrophobicContact CG2-CD2 3.69Å; I5-Y9 HydrophobicContact CG2-CE2 3.72Å; I5-Y9 WeakPolarHBondContact O-CD2 3.3Å; I5-Y9 PolarHBondContact O-N 3.32Å; I6-Y9 PolarHBondContact O-N 2.85Å; Y9-V12 PolarHBondContact O-N 2.02Å; Y9-I13 VanDerWaalsContact O-CB 3.31Å; Y9-I13 WeakPolarHBondContact O-CB 3.15Å; Y9-I13 WeakPolarHBondContact O-CD1 3.03Å; Y9-I13 WeakPolarHBondContact O-CG1 3.38Å; Y9-I13 PolarHBondContact O-N 3.22Å
10S56.6Low49.9Very low66 Ų66127.5 Ų127.546%0.46262%0.615SS.*Hα-helixtrans-62.4-42.9174.1-61.60000112I6 L7 Y14I6-S10 WeakPolarHBondContact O-CB 3.24Å; I6-S10 PolarHBondContact O-N 3.18Å; I6-S10 PolarHBondContact O-OG 3.09Å; L7-S10 PolarHBondContact O-N 3.34Å; S10-Y14 VanDerWaalsContact O-CB 3.28Å; S10-Y14 WeakPolarHBondContact O-CB 3Å; S10-Y14 PolarHBondContact O-N 3.2Å
11I57.7Low49.1Very low81 Ų81126.2 Ų126.242%0.41562%0.619SS.*Hα-helixtrans-67.3-43.9178.5-70164.6000110.7L7 L8 Y14 Y15L7-I11 WeakPolarHBondContact O-CB 3.39Å; L7-I11 WeakPolarHBondContact O-CD1 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.22Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 2.71Å; L8-I11 PolarHBondContact O-N 3.44Å; I11-Y14 PolarHBondContact O-N 3.5Å; I11-Y15 HydrophobicContact CG2-CD2 3.68Å; I11-Y15 HydrophobicContact CG2-CE2 3.46Å; I11-Y15 VanDerWaalsContact CG2-CE2 3.46Å; I11-Y15 WeakPolarHBondContact O-CD2 3.35Å; I11-Y15 PolarHBondContact O-N 2.97Å
12V55.9Low48.6Very low79 Ų79125 Ų12548%0.47960%0.604SS.*Hα-helixtrans-65.8-40.4176.7171.50000111.6L8 Y9 Y15 L16L8-V12 WeakPolarHBondContact O-CB 3.26Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.91Å; Y9-V12 PolarHBondContact O-N 2.02Å; V12-Y15 PolarHBondContact O-N 3.49Å; V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.41Å; V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.09Å; V12-L16 PolarHBondContact O-N 3.15Å
13I56.5Low47.6Very low91 Ų91122.8 Ų122.847%0.46761%0.61SS.*Hα-helixtrans-67-36.8174.5-68.8166.2000110.9Y9 L16 Y17Y9-I13 VanDerWaalsContact O-CB 3.31Å; Y9-I13 WeakPolarHBondContact O-CB 3.15Å; Y9-I13 WeakPolarHBondContact O-CD1 3.03Å; Y9-I13 WeakPolarHBondContact O-CG1 3.38Å; Y9-I13 PolarHBondContact O-N 3.22Å; I13-L16 PolarHBondContact O-N 2.8Å; I13-Y17 HydrophobicContact CG2-CD2 3.9Å; I13-Y17 HydrophobicContact CG2-CE2 4.29Å; I13-Y17 WeakPolarHBondContact O-CB 3.01Å; I13-Y17 PolarHBondContact O-N 3.15Å
14Y47.3Very low47.7Very low166 Ų166120.9 Ų120.965%0.65160%0.604SS**Hα-helixtrans-64.5-46.7175.6-163.1-99000111.3S10 I11 L16 Y17 V18S10-Y14 VanDerWaalsContact O-CB 3.28Å; S10-Y14 WeakPolarHBondContact O-CB 3Å; S10-Y14 PolarHBondContact O-N 3.2Å; I11-Y14 PolarHBondContact O-N 3.5Å; Y14-L16 PolarHBondContact O-N 3.3Å; Y14-Y17 PolarHBondContact O-N 2.04Å; Y14-V18 HydrophobicContact CD1-CG2 3.97Å; Y14-V18 HydrophobicContact CE1-CG2 3.85Å; Y14-V18 HydrophobicContact CG-CG2 4.49Å; Y14-V18 WeakPolarHBondContact O-CB 3.35Å; Y14-V18 VanDerWaalsContact O-CG2 3.23Å; Y14-V18 WeakPolarHBondContact O-CG2 3.02Å; Y14-V18 PolarHBondContact O-N 3.01Å
15Y45.5Very low47.9Very low162 Ų162125.3 Ų125.364%0.63561%0.612SS**Hα-helixtrans-62.3-39.8173.8-75.8-62.1000112.5I11 V12 Y17I11-Y15 HydrophobicContact CG2-CD2 3.68Å; I11-Y15 HydrophobicContact CG2-CE2 3.46Å; I11-Y15 VanDerWaalsContact CG2-CE2 3.46Å; I11-Y15 WeakPolarHBondContact O-CD2 3.35Å; I11-Y15 PolarHBondContact O-N 2.97Å; V12-Y15 PolarHBondContact O-N 3.49Å; Y15-Y17 VanDerWaalsContact C-N 3.32Å; Y15-Y17 PolarHBondContact O-N 2.88Å
16L44.5Very low48.4Very low120 Ų120123.2 Ų123.263%0.62861%0.605SS**Hα-helixtrans-73.1-17.3176.8-69.3171.2000114.5V12 I13 Y14V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.41Å; V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.09Å; V12-L16 PolarHBondContact O-N 3.15Å; I13-L16 PolarHBondContact O-N 2.8Å; Y14-L16 PolarHBondContact O-N 3.3Å
17Y44.1Very low49.4Very low178 Ų178121.2 Ų121.270%0.69859%0.594SS**Hα-helixtrans-93.9-28.2173.1-100.9-97.6000113.3I13 Y14 Y15 D19 Y20I13-Y17 HydrophobicContact CG2-CD2 3.9Å; I13-Y17 HydrophobicContact CG2-CE2 4.29Å; I13-Y17 WeakPolarHBondContact O-CB 3.01Å; I13-Y17 PolarHBondContact O-N 3.15Å; Y14-Y17 PolarHBondContact O-N 2.04Å; Y15-Y17 VanDerWaalsContact C-N 3.32Å; Y15-Y17 PolarHBondContact O-N 2.88Å; Y17-D19 VanDerWaalsContact C-N 3.35Å; Y17-Y20 PolarHBondContact O-N 3.48Å
18V37.7Very low50.9Low70 Ų70119.3 Ų119.342%0.42458%0.583SS.*Hα-helixtrans-71-30.6179.3168.40000111.8Y14 Y20Y14-V18 HydrophobicContact CD1-CG2 3.97Å; Y14-V18 HydrophobicContact CE1-CG2 3.85Å; Y14-V18 HydrophobicContact CG-CG2 4.49Å; Y14-V18 WeakPolarHBondContact O-CB 3.35Å; Y14-V18 VanDerWaalsContact O-CG2 3.23Å; Y14-V18 WeakPolarHBondContact O-CG2 3.02Å; Y14-V18 PolarHBondContact O-N 3.01Å; V18-Y20 PolarHBondContact O-N 3.16Å
19D36Very low52.1Low140 Ų140117.8 Ų117.875%0.74958%0.581SS**THydrogen-bonded Turntrans-66.3-1.5172.2-82.5-29.5000114.5Y17Y17-D19 VanDerWaalsContact C-N 3.35Å
20Y33Very low53.2Low208 Ų208114.8 Ų114.882%0.81658%0.576SS**THydrogen-bonded Turntrans-110.62.6-177.4-140.2-95.8000115.5Y17 V18Y17-Y20 PolarHBondContact O-N 3.48Å; V18-Y20 PolarHBondContact O-N 3.16Å
21S34.7Very low54.2Low100 Ų100118.3 Ų118.370%0.69958%0.583SS**THydrogen-bonded Turntrans-135.5-5.6-175.6-71.90000117.2
22Y38.7Very low54.5Low193 Ų193117.9 Ų117.976%0.75758%0.576SS**SBendtrans-116.6105.9164.4-82.9-88.3000109.6I24Y22-I24 PolarHBondContact O-N 2.9Å
23G33.5Very low55.2Low78 Ų78120.6 Ų120.680%0.80459%0.588SS**  trans-72.469.5-175.600000113.5R25G23-R25 VanDerWaalsContact C-N 3.28Å; G23-R25 PolarHBondContact O-N 2.95Å
24I50.5Low56Low119 Ų119119.6 Ų119.661%0.6160%0.6SS**  trans-64.990.8169.7-55.5177.8000107.6Y22 S26 I51Y22-I24 PolarHBondContact O-N 2.9Å; I24-S26 PolarHBondContact O-N 2.95Å; I24-I51 HydrophobicContact CG2-CB 4.03Å; I24-I51 HydrophobicContact CG2-CG2 3.79Å
25R56.8Low57.2Low211 Ų211118.6 Ų118.680%0.79660%0.601SS**  trans-63.6107174.1-76.2-175.2172.1-173.2-0.7108.3G23 H27G23-R25 VanDerWaalsContact C-N 3.28Å; G23-R25 PolarHBondContact O-N 2.95Å; R25-H27 PolarHBondContact O-CD2 2.81Å; R25-H27 PolarHBondContact O-N 3.17Å; R25-H27 VanDerWaalsContact O-N 3.13Å; R25-H27 PolarHBondContact O-NE2 3.34Å
26S67.7Low58.7Low48 Ų48112.9 Ų112.934%0.33658%0.584SS.*  trans-54.6118.1173.3-179.60000110.3I24 I28 P49I24-S26 PolarHBondContact O-N 2.95Å; S26-I28 PolarHBondContact O-N 2.99Å; S26-I28 WeakPolarHBondContact OG-CD1 3.49Å; S26-I28 VanDerWaalsContact OG-CG1 3.29Å; S26-I28 WeakPolarHBondContact OG-CG1 3.31Å; S26-P49 PolarHBondContact OG-O 2.72Å
27H78.2Confident60.5Low67 Ų67110 Ų11031%0.3157%0.571SS.*  trans-81.858.4-172.7-70.3-87.8000111.8R25 C38 C39 W42 C50R25-H27 PolarHBondContact O-CD2 2.81Å; R25-H27 PolarHBondContact O-N 3.17Å; R25-H27 VanDerWaalsContact O-N 3.13Å; R25-H27 PolarHBondContact O-NE2 3.34Å; H27-C38 WeakPolarHBondContact O-CA 3.16Å; H27-C39 HydrophobicContact CB-CB 4.42Å; H27-C39 PolarHBondContact O-N 3.26Å; H27-C39 PolarHBondContact O-SG 3.15Å; H27-C39 VanDerWaalsContact O-SG 3.34Å; H27-W42 HydrophobicContact CB-CB 4.1Å; H27-W42 HydrophobicContact CB-CD2 3.71Å; H27-W42 HydrophobicContact CB-CE3 4.27Å; H27-W42 HydrophobicContact CB-CG 3.58Å; H27-W42 AromaticContact CD2-CD2 3.53Å; H27-W42 AromaticContact CD2-CE2 3.47Å; H27-W42 VanDerWaalsContact CD2-CE2 3.47Å; H27-W42 AromaticContact CD2-CE3 3.53Å; H27-W42 AromaticContact CD2-CH2 3.48Å; H27-W42 VanDerWaalsContact CD2-CH2 3.48Å; H27-W42 WeakPolarHBondContact CD2-CH2 3.29Å; H27-W42 AromaticContact CD2-CZ2 3.47Å; H27-W42 VanDerWaalsContact CD2-CZ2 3.47Å; H27-W42 WeakPolarHBondContact CD2-CZ2 3.23Å; H27-W42 AromaticContact CD2-CZ3 3.51Å; H27-W42 AromaticContact CE1-CE2 3.89Å; H27-W42 AromaticContact CE1-CZ2 3.62Å; H27-W42 AromaticContact CG-CD2 3.58Å; H27-W42 AromaticContact CG-CE2 3.48Å; H27-W42 VanDerWaalsContact CG-CE2 3.48Å; H27-W42 AromaticContact CG-CG 3.96Å; H27-W42 AromaticContact CG-CZ2 3.9Å; H27-W42 AromaticContact CG-NE1 3.75Å; H27-W42 AromaticContact ND1-CE2 3.75Å; H27-W42 AromaticContact ND1-CZ2 3.97Å; H27-W42 AromaticContact ND1-NE1 3.78Å; H27-W42 AromaticContact NE2-CE2 3.76Å; H27-W42 AromaticContact NE2-CH2 3.38Å; H27-W42 WeakPolarHBondContact NE2-CH2 3.43Å; H27-W42 AromaticContact NE2-CZ2 3.3Å; H27-W42 VanDerWaalsContact NE2-CZ2 3.3Å; H27-W42 WeakPolarHBondContact NE2-CZ2 3.49Å; H27-W42 AromaticContact NE2-CZ3 3.9Å; H27-C50 VanDerWaalsContact C-CB 3.49Å; H27-C50 HydrophobicContact CB-CB 4.3Å; H27-C50 WeakPolarHBondContact CB-O 3.2Å; H27-C50 PolarHBondContact N-O 3.09Å; H27-C50 WeakPolarHBondContact O-CB 3.33Å
28I83.2Confident62.3Low61 Ų61102.9 Ų102.931%0.31355%0.547SS..EExtended strand (participates in β ladder)trans-85.4111.2178.6-58.6167.3000108.9S26 N30 K31 P36 V37 P49 C50S26-I28 PolarHBondContact O-N 2.99Å; S26-I28 WeakPolarHBondContact OG-CD1 3.49Å; S26-I28 VanDerWaalsContact OG-CG1 3.29Å; S26-I28 WeakPolarHBondContact OG-CG1 3.31Å; I28-N30 WeakPolarHBondContact CG2-O 3.07Å; I28-K31 HydrophobicContact CG2-CG 4.22Å; I28-P36 HydrophobicContact CD1-CB 3.74Å; I28-P36 HydrophobicContact CG1-CB 3.86Å; I28-P36 HydrophobicContact CG2-CB 4.15Å; I28-V37 CarbonylContact C-O 2.93Å; I28-V37 WeakPolarHBondContact CA-O 3.24Å; I28-P49 HydrophobicContact CD1-CG 4.06Å; I28-C50 HydrophobicContact CG1-CB 4.19Å
29C79.8Confident64.5Low82 Ų82100.8 Ų100.855%0.55454%0.535SS*.EExtended strand (participates in β ladder)trans-89.9-22.2175.9-91.20000113.1V37 C39C29-V37 PolarHBondContact N-O 3.35Å; C29-C39 VanDerWaalsContact CA-SG 3.58Å; C29-C39 HydrophobicContact CB-CB 3.93Å; C29-C39 WeakPolarHBondContact CB-SG 3.44Å; C29-C39 PolarHBondContact N-SG 2.74Å; C29-C39 VanDerWaalsContact N-SG 3.45Å; C29-C39 WeakPolarHBondContact SG-CA 3.5Å; C29-C39 WeakPolarHBondContact SG-CB 3.1Å; C29-C39 CovalentContact SG-SG 2.04Å; C29-C39 PolarHBondContact SG-SG 3Å
30N79.2Confident66.7Low91 Ų9199.9 Ų99.949%0.48754%0.537SS..EExtended strand (participates in β ladder)trans-153.7170.6178.2-160.11.4000111.2I28 V37I28-N30 WeakPolarHBondContact CG2-O 3.07Å; N30-V37 HydrophobicContact CB-CB 4.02Å; N30-V37 HydrophobicContact CB-CG1 4.47Å; N30-V37 HydrophobicContact CB-CG2 4.48Å; N30-V37 PolarHBondContact N-O 2.91Å; N30-V37 WeakPolarHBondContact O-CA 3.49Å; N30-V37 WeakPolarHBondContact O-CB 3.34Å; N30-V37 PolarHBondContact O-N 3.01Å
31K78Confident69Low140 Ų14091.2 Ų91.261%0.60951%0.511SS*.EExtended strand (participates in β ladder)trans-130131.4168.2-66.7-174.1178.8-175.60109.7I28 Q35I28-K31 HydrophobicContact CG2-CG 4.22Å; K31-Q35 CarbonylContact C-O 3.56Å; K31-Q35 VanDerWaalsContact CA-O 3.25Å; K31-Q35 WeakPolarHBondContact CA-O 3.32Å
32Y64.9Low71.5Confident71 Ų7188.8 Ų88.828%0.27849%0.486SS..EExtended strand (participates in β ladder)trans-122.5123.1178.4-159.4-86000108.6G34 Q35 Y511 E512Y32-G34 PolarHBondContact O-N 2.04Å; Y32-G34 VanDerWaalsContact O-N 3.13Å; Y32-Q35 PolarHBondContact N-O 3Å; Y32-Q35 WeakPolarHBondContact O-CB 3.42Å; Y32-Q35 PolarHBondContact O-N 3.49Å; Y32-Y511 HydrophobicContact CE2-CD1 4.02Å; Y32-Y511 HydrophobicContact CE2-CE1 4.15Å; Y32-E512 WeakPolarHBondContact OH-CB 3.32Å; Y32-E512 PolarHBondContact OH-N 3.24Å; Y32-E512 PolarHBondContact OH-OE2 2.85Å
33N68.9Low73.7Confident137 Ų13786.7 Ų86.773%0.73348%0.477SS*.THydrogen-bonded Turntrans45.642.2-173.4-66.1-8.2000114.2Q35N33-Q35 PolarHBondContact O-N 3.42Å
34G73.1Confident76Confident69 Ų6987.3 Ų87.371%0.71146%0.462SS*.THydrogen-bonded Turntrans79-16.8-177.800000115.1Y32Y32-G34 PolarHBondContact O-N 2.04Å; Y32-G34 VanDerWaalsContact O-N 3.13Å
35Q74.4Confident77.4Confident145 Ų14582.5 Ų82.568%0.67844%0.442SS*.EExtended strand (participates in β ladder)trans-78.1141.7176.9-64.4-171.7-7.800111.8K31 Y32 N33K31-Q35 CarbonylContact C-O 3.56Å; K31-Q35 VanDerWaalsContact CA-O 3.25Å; K31-Q35 WeakPolarHBondContact CA-O 3.32Å; Y32-Q35 PolarHBondContact N-O 3Å; Y32-Q35 WeakPolarHBondContact O-CB 3.42Å; Y32-Q35 PolarHBondContact O-N 3.49Å; N33-Q35 PolarHBondContact O-N 3.42Å
36P76.8Confident78.2Confident42 Ų4281.4 Ų81.427%0.27345%0.45SS..EExtended strand (participates in β ladder)trans-75.4129.8179.429.8-33.6000112I28 P49I28-P36 HydrophobicContact CD1-CB 3.74Å; I28-P36 HydrophobicContact CG1-CB 3.86Å; I28-P36 HydrophobicContact CG2-CB 4.15Å; P36-P49 HydrophobicContact CB-CB 3.69Å; P36-P49 HydrophobicContact CB-CG 3.98Å; P36-P49 HydrophobicContact CG-CB 3.23Å; P36-P49 HydrophobicContact CG-CG 3.67Å
37V81.4Confident78.4Confident60 Ų6083 Ų8336%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-105.4123.3174.7-177.40000109I28 C29 N30I28-V37 CarbonylContact C-O 2.93Å; I28-V37 WeakPolarHBondContact CA-O 3.24Å; C29-V37 PolarHBondContact N-O 3.35Å; N30-V37 HydrophobicContact CB-CB 4.02Å; N30-V37 HydrophobicContact CB-CG1 4.47Å; N30-V37 HydrophobicContact CB-CG2 4.48Å; N30-V37 PolarHBondContact N-O 2.91Å; N30-V37 WeakPolarHBondContact O-CA 3.49Å; N30-V37 WeakPolarHBondContact O-CB 3.34Å; N30-V37 PolarHBondContact O-N 3.01Å
38C82.4Confident78.4Confident29 Ų2981.5 Ų81.520%0.19647%0.473CS..EExtended strand (participates in β ladder)trans-75.8148.7-175.8-530000112.8H27 W42 N44 C50H27-C38 WeakPolarHBondContact O-CA 3.16Å; C38-W42 HydrophobicContact CB-CB 4.09Å; C38-W42 WeakPolarHBondContact CB-O 3.11Å; C38-N44 PolarHBondContact SG-OD1 2.61Å; C38-C50 WeakPolarHBondContact CA-SG 3.04Å; C38-C50 HydrophobicContact CB-CB 3.64Å; C38-C50 WeakPolarHBondContact CB-SG 3.1Å; C38-C50 PolarHBondContact N-SG 3Å; C38-C50 VanDerWaalsContact N-SG 3.39Å; C38-C50 WeakPolarHBondContact SG-CA 3.25Å; C38-C50 WeakPolarHBondContact SG-CB 3.36Å; C38-C50 CovalentContact SG-SG 2.04Å; C38-C50 PolarHBondContact SG-SG 2.85Å
39C84.1Confident78.3Confident25 Ų2580.5 Ų80.517%0.16947%0.47CS..PPolyproline II helixtrans-60151.9167.9-64.50000110.9H27 C29 G41 W42H27-C39 HydrophobicContact CB-CB 4.42Å; H27-C39 PolarHBondContact O-N 3.26Å; H27-C39 PolarHBondContact O-SG 3.15Å; H27-C39 VanDerWaalsContact O-SG 3.34Å; C29-C39 VanDerWaalsContact CA-SG 3.58Å; C29-C39 HydrophobicContact CB-CB 3.93Å; C29-C39 WeakPolarHBondContact CB-SG 3.44Å; C29-C39 PolarHBondContact N-SG 2.74Å; C29-C39 VanDerWaalsContact N-SG 3.45Å; C29-C39 WeakPolarHBondContact SG-CA 3.5Å; C29-C39 WeakPolarHBondContact SG-CB 3.1Å; C29-C39 CovalentContact SG-SG 2.04Å; C29-C39 PolarHBondContact SG-SG 3Å; C39-G41 PolarHBondContact O-N 3.16Å; C39-W42 PolarHBondContact O-N 3.36Å
40P81Confident78.6Confident122 Ų12276.6 Ų76.679%0.79244%0.444SS*.THydrogen-bonded Turntrans-48.5133.1171.4-27.635.6000111.3
41G82Confident78.8Confident25 Ų2574.7 Ų74.726%0.25843%0.433SS..THydrogen-bonded Turntrans843.7-175.700000115.9C39 P53 V54C39-G41 PolarHBondContact O-N 3.16Å; G41-P53 CarbonylContact O-C 3.51Å; G41-P53 WeakPolarHBondContact O-CA 3.4Å; G41-V54 PolarHBondContact O-N 3.43Å
42W87Confident79.1Confident50 Ų5070.7 Ų70.719%0.18942%0.418CS..EExtended strand (participates in β ladder)trans-124.7148.3176.9-64.285.7000112.1H27 C38 C39 I51 I52 P53 P68H27-W42 HydrophobicContact CB-CB 4.1Å; H27-W42 HydrophobicContact CB-CD2 3.71Å; H27-W42 HydrophobicContact CB-CE3 4.27Å; H27-W42 HydrophobicContact CB-CG 3.58Å; H27-W42 AromaticContact CD2-CD2 3.53Å; H27-W42 AromaticContact CD2-CE2 3.47Å; H27-W42 VanDerWaalsContact CD2-CE2 3.47Å; H27-W42 AromaticContact CD2-CE3 3.53Å; H27-W42 AromaticContact CD2-CH2 3.48Å; H27-W42 VanDerWaalsContact CD2-CH2 3.48Å; H27-W42 WeakPolarHBondContact CD2-CH2 3.29Å; H27-W42 AromaticContact CD2-CZ2 3.47Å; H27-W42 VanDerWaalsContact CD2-CZ2 3.47Å; H27-W42 WeakPolarHBondContact CD2-CZ2 3.23Å; H27-W42 AromaticContact CD2-CZ3 3.51Å; H27-W42 AromaticContact CE1-CE2 3.89Å; H27-W42 AromaticContact CE1-CZ2 3.62Å; H27-W42 AromaticContact CG-CD2 3.58Å; H27-W42 AromaticContact CG-CE2 3.48Å; H27-W42 VanDerWaalsContact CG-CE2 3.48Å; H27-W42 AromaticContact CG-CG 3.96Å; H27-W42 AromaticContact CG-CZ2 3.9Å; H27-W42 AromaticContact CG-NE1 3.75Å; H27-W42 AromaticContact ND1-CE2 3.75Å; H27-W42 AromaticContact ND1-CZ2 3.97Å; H27-W42 AromaticContact ND1-NE1 3.78Å; H27-W42 AromaticContact NE2-CE2 3.76Å; H27-W42 AromaticContact NE2-CH2 3.38Å; H27-W42 WeakPolarHBondContact NE2-CH2 3.43Å; H27-W42 AromaticContact NE2-CZ2 3.3Å; H27-W42 VanDerWaalsContact NE2-CZ2 3.3Å; H27-W42 WeakPolarHBondContact NE2-CZ2 3.49Å; H27-W42 AromaticContact NE2-CZ3 3.9Å; C38-W42 HydrophobicContact CB-CB 4.09Å; C38-W42 WeakPolarHBondContact CB-O 3.11Å; C39-W42 PolarHBondContact O-N 3.36Å; W42-I51 WeakPolarHBondContact CZ3-O 3.42Å; W42-I52 CarbonylContact C-O 3.52Å; W42-I52 WeakPolarHBondContact CA-O 3.43Å; W42-P53 HydrophobicContact CE3-CB 4.43Å; W42-P53 HydrophobicContact CH2-CB 4.43Å; W42-P53 HydrophobicContact CZ3-CB 4.23Å; W42-P68 HydrophobicContact CZ2-CG 4.26Å
43R85.1Confident80Confident148 Ų14868 Ų6856%0.55841%0.409SS*.EExtended strand (participates in β ladder)trans-134.5163.9175.568.5-178.3172.1163.81.5111.7C50 I51 I52 V54R43-C50 CarbonylContact O-C 3.48Å; R43-C50 WeakPolarHBondContact O-CA 3.45Å; R43-I51 PolarHBondContact O-N 3.28Å; R43-I52 HydrophobicContact CG-CB 3.77Å; R43-I52 HydrophobicContact CG-CG2 4.11Å; R43-I52 PolarHBondContact N-O 3.38Å; R43-I52 PolarHBondContact O-N 3.17Å; R43-I52 VanDerWaalsContact O-N 3.1Å; R43-V54 HydrophobicContact CB-CG2 4.03Å; R43-V54 HydrophobicContact CG-CG2 3.99Å
44N82.4Confident80.7Confident91 Ų9164.4 Ų64.449%0.48739%0.392SS..  trans-65.5141.8177.4-68.1-26.2000111.9C38 P49 C50C38-N44 PolarHBondContact SG-OD1 2.61Å; N44-P49 WeakPolarHBondContact OD1-CA 3.2Å; N44-P49 WeakPolarHBondContact OD1-CB 3.44Å; N44-C50 PolarHBondContact OD1-N 2.93Å
45G78.2Confident81Confident18 Ų1862.1 Ų62.119%0.18637%0.365CS..  trans-106176.5169.300000112G47 A48G45-G47 VanDerWaalsContact C-N 3.31Å; G45-G47 PolarHBondContact O-N 3.35Å; G45-A48 PolarHBondContact N-O 3.45Å
46I74.6Confident80.5Confident189 Ų18958.4 Ų58.497%0.96936%0.359SS*.SBendtrans-72.8-22.9-171-64.4170.7000112.6
47G71.3Confident80.1Confident80 Ų8057.8 Ų57.883%0.82536%0.36SS*.SBendtrans-112.4-20.4177.400000115.8G45G45-G47 VanDerWaalsContact C-N 3.31Å; G45-G47 PolarHBondContact O-N 3.35Å
48A77.9Confident79.9Confident36 Ų3661.7 Ų61.730%0.29838%0.379SS..SBendtrans-151150.9-179.700000112.1G45 I51G45-A48 PolarHBondContact N-O 3.45Å; A48-I51 HydrophobicContact CB-CD1 4.2Å; A48-I51 HydrophobicContact CB-CG2 3.79Å
49P82.3Confident79.7Confident41 Ų4160.6 Ų60.627%0.26637%0.372SS..THydrogen-bonded Turntrans-70.2148.7176.131.4-37.2000111.6S26 I28 P36 N44 I51S26-P49 PolarHBondContact OG-O 2.72Å; I28-P49 HydrophobicContact CD1-CG 4.06Å; P36-P49 HydrophobicContact CB-CB 3.69Å; P36-P49 HydrophobicContact CB-CG 3.98Å; P36-P49 HydrophobicContact CG-CB 3.23Å; P36-P49 HydrophobicContact CG-CG 3.67Å; N44-P49 WeakPolarHBondContact OD1-CA 3.2Å; N44-P49 WeakPolarHBondContact OD1-CB 3.44Å; P49-I51 VanDerWaalsContact C-N 3.34Å; P49-I51 WeakPolarHBondContact O-CG2 3.17Å; P49-I51 PolarHBondContact O-N 3.1Å
50C85.5Confident79.5Confident0 Ų060.6 Ų60.60%038%0.375CS..THydrogen-bonded Turntrans53.843.2168.5-44.60000115.3H27 I28 C38 R43 N44H27-C50 VanDerWaalsContact C-CB 3.49Å; H27-C50 HydrophobicContact CB-CB 4.3Å; H27-C50 WeakPolarHBondContact CB-O 3.2Å; H27-C50 PolarHBondContact N-O 3.09Å; H27-C50 WeakPolarHBondContact O-CB 3.33Å; I28-C50 HydrophobicContact CG1-CB 4.19Å; C38-C50 WeakPolarHBondContact CA-SG 3.04Å; C38-C50 HydrophobicContact CB-CB 3.64Å; C38-C50 WeakPolarHBondContact CB-SG 3.1Å; C38-C50 PolarHBondContact N-SG 3Å; C38-C50 VanDerWaalsContact N-SG 3.39Å; C38-C50 WeakPolarHBondContact SG-CA 3.25Å; C38-C50 WeakPolarHBondContact SG-CB 3.36Å; C38-C50 CovalentContact SG-SG 2.04Å; C38-C50 PolarHBondContact SG-SG 2.85Å; R43-C50 CarbonylContact O-C 3.48Å; R43-C50 WeakPolarHBondContact O-CA 3.45Å; N44-C50 PolarHBondContact OD1-N 2.93Å
51I84.5Confident79.5Confident50 Ų5064.2 Ų64.226%0.25638%0.382SS..  trans-111.3-14.3178.465.8169.9000114.2I24 W42 R43 A48 P49I24-I51 HydrophobicContact CG2-CB 4.03Å; I24-I51 HydrophobicContact CG2-CG2 3.79Å; W42-I51 WeakPolarHBondContact CZ3-O 3.42Å; R43-I51 PolarHBondContact O-N 3.28Å; A48-I51 HydrophobicContact CB-CD1 4.2Å; A48-I51 HydrophobicContact CB-CG2 3.79Å; P49-I51 VanDerWaalsContact C-N 3.34Å; P49-I51 WeakPolarHBondContact O-CG2 3.17Å; P49-I51 PolarHBondContact O-N 3.1Å
52I82.3Confident79.3Confident57 Ų5769.4 Ų69.429%0.29239%0.393SS..EExtended strand (participates in β ladder)trans-101.4125.1-178-53.3-175000108.8W42 R43W42-I52 CarbonylContact C-O 3.52Å; W42-I52 WeakPolarHBondContact CA-O 3.43Å; R43-I52 HydrophobicContact CG-CB 3.77Å; R43-I52 HydrophobicContact CG-CG2 4.11Å; R43-I52 PolarHBondContact N-O 3.38Å; R43-I52 PolarHBondContact O-N 3.17Å; R43-I52 VanDerWaalsContact O-N 3.1Å
53P85.2Confident79.2Confident14 Ų1468.1 Ų68.19%0.09140%0.396CS..EExtended strand (participates in β ladder)trans-70.9158173.830.5-36000112G41 W42 C65 K67G41-P53 CarbonylContact O-C 3.51Å; G41-P53 WeakPolarHBondContact O-CA 3.4Å; W42-P53 HydrophobicContact CE3-CB 4.43Å; W42-P53 HydrophobicContact CH2-CB 4.43Å; W42-P53 HydrophobicContact CZ3-CB 4.23Å; P53-C65 HydrophobicContact CG-CB 4.42Å; P53-C65 WeakPolarHBondContact CG-O 3.38Å; P53-K67 VanDerWaalsContact CB-C 3.43Å
54V82.8Confident79.3Confident61 Ų6167.5 Ų67.537%0.3740%0.4SS..  trans-117.8116.7177.1-177.50000108.2G41 R43 P68 N69G41-V54 PolarHBondContact O-N 3.43Å; R43-V54 HydrophobicContact CB-CG2 4.03Å; R43-V54 HydrophobicContact CG-CG2 3.99Å; V54-P68 WeakPolarHBondContact O-CA 3.33Å; V54-N69 PolarHBondContact O-N 3.23Å; V54-N69 VanDerWaalsContact O-N 3.07Å
55C79Confident79.5Confident22 Ų2264.8 Ų64.815%0.14939%0.387CS..  trans-92.6138.4174.3-72.30000110G57 C65 T70C55-G57 WeakPolarHBondContact CB-O 3.47Å; C55-G57 PolarHBondContact O-N 2.92Å; C55-C65 HydrophobicContact CB-CB 4.02Å; C55-C65 WeakPolarHBondContact CB-SG 3.22Å; C55-C65 PolarHBondContact N-SG 3.22Å; C55-C65 VanDerWaalsContact SG-CA 3.58Å; C55-C65 WeakPolarHBondContact SG-CB 3.44Å; C55-C65 CovalentContact SG-SG 2.04Å; C55-C65 PolarHBondContact SG-SG 3.07Å; C55-T70 PolarHBondContact SG-O 3.41Å
56A65.5Low79.9Confident67 Ų6767 Ų6755%0.55439%0.394SS*.SBendtrans-69-7.1177.900000114.2N69 F80A56-N69 WeakPolarHBondContact CB-OD1 3.46Å; A56-N69 PolarHBondContact N-OD1 2.97Å; A56-F80 HydrophobicContact CB-CE2 3.74Å; A56-F80 HydrophobicContact CB-CZ 3.48Å; A56-F80 VanDerWaalsContact CB-CZ 3.48Å
57G68.6Low80.1Confident28 Ų2861.7 Ų61.729%0.28936%0.364SS..SBendtrans-134.2168.316600000111.3C55C55-G57 WeakPolarHBondContact CB-O 3.47Å; C55-G57 PolarHBondContact O-N 2.92Å
58N75.5Confident80.4Confident142 Ų14259.8 Ų59.876%0.75934%0.337SS*.  trans-68.7132.8163.1-173.62.8000108.2G60N58-G60 PolarHBondContact O-N 3.36Å; N58-G60 PolarHBondContact OD1-N 2.99Å
59C79.3Confident80.5Confident7 Ų762 Ų625%0.04734%0.344CS..  trans-68.5-10.9179.5-66.30000113.5G63 C65 C71 C82C59-G63 VanDerWaalsContact CB-O 3.31Å; C59-G63 WeakPolarHBondContact CB-O 3.31Å; C59-C65 PolarHBondContact SG-N 3.18Å; C59-C71 WeakPolarHBondContact CA-SG 3.36Å; C59-C71 HydrophobicContact CB-CB 3.63Å; C59-C71 WeakPolarHBondContact CB-SG 3.26Å; C59-C71 WeakPolarHBondContact SG-CB 3.47Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 3.39Å; C59-C82 WeakPolarHBondContact O-CA 2.96Å; C59-C82 WeakPolarHBondContact O-CB 3.42Å; C59-C82 PolarHBondContact O-N 2.81Å; C59-C82 PolarHBondContact O-SG 2.9Å
60G79.3Confident80.4Confident24 Ų2461.7 Ų61.725%0.24734%0.341CS..  trans84.8165.7-173.800000111.1N58 R62 G63N58-G60 PolarHBondContact O-N 3.36Å; N58-G60 PolarHBondContact OD1-N 2.99Å; G60-R62 PolarHBondContact O-N 2.75Å; G60-R62 VanDerWaalsContact O-N 3.09Å; G60-G63 PolarHBondContact O-N 2.81Å; G60-G63 VanDerWaalsContact O-N 3.15Å
61E81Confident80.2Confident198 Ų19861.7 Ų61.793%0.92534%0.341SS*.THydrogen-bonded Turntrans-61.7-21-179-57.9-168.9167.400112.9
62R78.5Confident80.2Confident134 Ų13462 Ų6251%0.50634%0.343SS..THydrogen-bonded Turntrans-98.714.4-178.7-71.1-171.3-172.4-173.24.7114.2G60 C73 S74G60-R62 PolarHBondContact O-N 2.75Å; G60-R62 VanDerWaalsContact O-N 3.09Å; R62-C73 CarbonylContact O-C 3.55Å; R62-C73 WeakPolarHBondContact O-CA 3.49Å; R62-S74 WeakPolarHBondContact CA-OG 3.35Å; R62-S74 VanDerWaalsContact CB-OG 3.3Å; R62-S74 WeakPolarHBondContact CB-OG 3.31Å; R62-S74 PolarHBondContact O-N 2.95Å; R62-S74 PolarHBondContact O-OG 3.32Å
63G83.4Confident80.3Confident24 Ų2459.8 Ų59.825%0.24733%0.333CS..EExtended strand (participates in β ladder)trans-148.1153.7-179.500000116.5C59 G60 I72 C82C59-G63 VanDerWaalsContact CB-O 3.31Å; C59-G63 WeakPolarHBondContact CB-O 3.31Å; G60-G63 PolarHBondContact O-N 2.81Å; G60-G63 VanDerWaalsContact O-N 3.15Å; G63-I72 CarbonylContact C-O 3.48Å; G63-I72 WeakPolarHBondContact CA-O 3.39Å; G63-C82 VanDerWaalsContact CA-SG 3.57Å
64E88.1Confident80.1Confident135 Ų13563.4 Ų63.463%0.63136%0.358SS*.EExtended strand (participates in β ladder)trans-119.8139.8179.7-177.8173-164.600111.2I66 C71 I72E64-I66 PolarHBondContact O-N 3.1Å; E64-C71 CarbonylContact O-C 3.56Å; E64-C71 VanDerWaalsContact O-CA 3.25Å; E64-C71 WeakPolarHBondContact O-CA 3.43Å; E64-I72 HydrophobicContact CB-CG2 3.99Å; E64-I72 PolarHBondContact N-O 3.33Å; E64-I72 PolarHBondContact O-N 2.92Å
65C85.6Confident80Confident34 Ų3464.1 Ų64.123%0.2336%0.36CS..EExtended strand (participates in β ladder)trans-80110.3176.6-170.50000109.7P53 C55 C59P53-C65 HydrophobicContact CG-CB 4.42Å; P53-C65 WeakPolarHBondContact CG-O 3.38Å; C55-C65 HydrophobicContact CB-CB 4.02Å; C55-C65 WeakPolarHBondContact CB-SG 3.22Å; C55-C65 PolarHBondContact N-SG 3.22Å; C55-C65 VanDerWaalsContact SG-CA 3.58Å; C55-C65 WeakPolarHBondContact SG-CB 3.44Å; C55-C65 CovalentContact SG-SG 2.04Å; C55-C65 PolarHBondContact SG-SG 3.07Å; C59-C65 PolarHBondContact SG-N 3.18Å
66I87.1Confident79.9Confident63 Ų6372 Ų7232%0.32339%0.386SS..EExtended strand (participates in β ladder)trans-106.6-20.3-174.555148.6000114E64 T70 I72 L78E64-I66 PolarHBondContact O-N 3.1Å; I66-T70 HydrophobicContact CD1-CG2 4.33Å; I66-T70 HydrophobicContact CG1-CG2 4.24Å; I66-T70 WeakPolarHBondContact CG1-O 3.43Å; I66-T70 PolarHBondContact N-O 2.93Å; I66-I72 HydrophobicContact CD1-CB 4.23Å; I66-I72 HydrophobicContact CG1-CB 4.26Å; I66-I72 HydrophobicContact CG2-CB 4.17Å; I66-I72 HydrophobicContact CG2-CG2 3.55Å; I66-L78 HydrophobicContact CD1-CD2 3.62Å
67K80Confident80.5Confident79 Ų7976.6 Ų76.634%0.34339%0.389SS..EExtended strand (participates in β ladder)trans-147.6163.9175.6-34.3177.3-171.6176.70108.3P53 N69 T70P53-K67 VanDerWaalsContact CB-C 3.43Å; K67-N69 PolarHBondContact O-N 3Å; K67-T70 HydrophobicContact CD-CG2 4.28Å; K67-T70 HydrophobicContact CG-CG2 4.35Å; K67-T70 PolarHBondContact N-O 2.94Å; K67-T70 PolarHBondContact O-N 3.4Å
68P78Confident81Confident39 Ų3979.7 Ų79.725%0.25340%0.399SS..THydrogen-bonded Turntrans-43.9126167.9-29.535.4000111.6W42 V54 T70W42-P68 HydrophobicContact CZ2-CG 4.26Å; V54-P68 WeakPolarHBondContact O-CA 3.33Å; P68-T70 PolarHBondContact O-N 3.47Å; P68-T70 PolarHBondContact O-OG1 3.28Å; P68-T70 VanDerWaalsContact O-OG1 3.1Å
69N80Confident81Confident84 Ų8475.7 Ų75.745%0.44937%0.373SS..THydrogen-bonded Turntrans54.318.7-179.9-54.3-29.3000116.5V54 A56 K67 F80V54-N69 PolarHBondContact O-N 3.23Å; V54-N69 VanDerWaalsContact O-N 3.07Å; A56-N69 WeakPolarHBondContact CB-OD1 3.46Å; A56-N69 PolarHBondContact N-OD1 2.97Å; K67-N69 PolarHBondContact O-N 3Å; N69-F80 HydrophobicContact CB-CE2 4.38Å
70T78.4Confident80.9Confident34 Ų3481.2 Ų81.221%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-126.5113.4-176.1-50.80000111.3C55 I66 K67 P68 L78C55-T70 PolarHBondContact SG-O 3.41Å; I66-T70 HydrophobicContact CD1-CG2 4.33Å; I66-T70 HydrophobicContact CG1-CG2 4.24Å; I66-T70 WeakPolarHBondContact CG1-O 3.43Å; I66-T70 PolarHBondContact N-O 2.93Å; K67-T70 HydrophobicContact CD-CG2 4.28Å; K67-T70 HydrophobicContact CG-CG2 4.35Å; K67-T70 PolarHBondContact N-O 2.94Å; K67-T70 PolarHBondContact O-N 3.4Å; P68-T70 PolarHBondContact O-N 3.47Å; P68-T70 PolarHBondContact O-OG1 3.28Å; P68-T70 VanDerWaalsContact O-OG1 3.1Å; T70-L78 HydrophobicContact CG2-CB 4.21Å; T70-L78 HydrophobicContact CG2-CD1 4.19Å; T70-L78 HydrophobicContact CG2-CD2 4.23Å; T70-L78 HydrophobicContact CG2-CG 4.45Å
71C82.3Confident80.9Confident0 Ų081.5 Ų81.50%040%0.395CS..EExtended strand (participates in β ladder)trans-95.8138.3171.3-57.30000110.5C59 E64 L78 R79 F80C59-C71 WeakPolarHBondContact CA-SG 3.36Å; C59-C71 HydrophobicContact CB-CB 3.63Å; C59-C71 WeakPolarHBondContact CB-SG 3.26Å; C59-C71 WeakPolarHBondContact SG-CB 3.47Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 3.39Å; E64-C71 CarbonylContact O-C 3.56Å; E64-C71 VanDerWaalsContact O-CA 3.25Å; E64-C71 WeakPolarHBondContact O-CA 3.43Å; C71-L78 WeakPolarHBondContact O-CA 3.24Å; C71-R79 WeakPolarHBondContact CA-O 3.1Å; C71-R79 WeakPolarHBondContact CB-O 3Å; C71-R79 PolarHBondContact N-O 3.4Å; C71-R79 PolarHBondContact O-N 3.43Å; C71-F80 PolarHBondContact SG-O 2.87Å
72I84.1Confident80.8Confident56 Ų5672.8 Ų72.829%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-90.4130.4159-168.6170.5000108.1G63 E64 I66 L78G63-I72 CarbonylContact C-O 3.48Å; G63-I72 WeakPolarHBondContact CA-O 3.39Å; E64-I72 HydrophobicContact CB-CG2 3.99Å; E64-I72 PolarHBondContact N-O 3.33Å; E64-I72 PolarHBondContact O-N 2.92Å; I66-I72 HydrophobicContact CD1-CB 4.23Å; I66-I72 HydrophobicContact CG1-CB 4.26Å; I66-I72 HydrophobicContact CG2-CB 4.17Å; I66-I72 HydrophobicContact CG2-CG2 3.55Å; I72-L78 HydrophobicContact CB-CD2 4.11Å; I72-L78 HydrophobicContact CG1-CD2 4.25Å
73C84.2Confident80.6Confident11 Ų1174.7 Ų74.77%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-100.2170.2-179.3-60.30000111.8R62 D75 R76 R77 C82R62-C73 CarbonylContact O-C 3.55Å; R62-C73 WeakPolarHBondContact O-CA 3.49Å; C73-D75 WeakPolarHBondContact CB-OD1 3.27Å; C73-D75 PolarHBondContact O-N 3.29Å; C73-R76 VanDerWaalsContact O-CA 3.24Å; C73-R76 WeakPolarHBondContact O-CA 3.25Å; C73-R76 PolarHBondContact O-N 3.12Å; C73-R77 PolarHBondContact N-O 3.17Å; C73-C82 WeakPolarHBondContact CA-SG 2.96Å; C73-C82 HydrophobicContact CB-CB 3.81Å; C73-C82 WeakPolarHBondContact CB-SG 3.03Å; C73-C82 VanDerWaalsContact SG-CA 3.52Å; C73-C82 WeakPolarHBondContact SG-CB 3.36Å; C73-C82 CovalentContact SG-SG 2.02Å; C73-C82 PolarHBondContact SG-SG 2.83Å
74S82.3Confident79.6Confident90 Ų9080.2 Ų80.263%0.62938%0.382SS*.THydrogen-bonded Turntrans-62.8-23.7-178.7-62.30000113.8R62 R76R62-S74 WeakPolarHBondContact CA-OG 3.35Å; R62-S74 VanDerWaalsContact CB-OG 3.3Å; R62-S74 WeakPolarHBondContact CB-OG 3.31Å; R62-S74 PolarHBondContact O-N 2.95Å; R62-S74 PolarHBondContact O-OG 3.32Å; S74-R76 PolarHBondContact O-N 3.45Å
75D80.7Confident78.1Confident75 Ų7582.1 Ų82.140%0.40139%0.391SS..THydrogen-bonded Turntrans-77.75.9169.667.8-9.4000113.3C73 R77 R79C73-D75 WeakPolarHBondContact CB-OD1 3.27Å; C73-D75 PolarHBondContact O-N 3.29Å; D75-R77 PolarHBondContact O-N 2.98Å; D75-R77 WeakPolarHBondContact OD1-CB 3.31Å; D75-R77 PolarHBondContact OD1-N 3.22Å; D75-R77 VanDerWaalsContact OD2-CD 3.32Å; D75-R77 WeakPolarHBondContact OD2-CD 3Å; D75-R77 WeakPolarHBondContact OD2-CG 3.5Å; D75-R79 IonicContact OD2-CZ 3.77Å; D75-R79 IonicContact OD2-NE 3.41Å; D75-R79 PolarHBondContact OD2-NE 2.78Å; D75-R79 IonicContact OD2-NH2 2.82Å; D75-R79 PolarHBondContact OD2-NH2 3.34Å
76R76.7Confident76.3Confident187 Ų18784.4 Ų84.471%0.70640%0.401SS*.SBendtrans59.210.7-171.5-56.9-172.8178.8-153.91.5115.2C73 S74C73-R76 VanDerWaalsContact O-CA 3.24Å; C73-R76 WeakPolarHBondContact O-CA 3.25Å; C73-R76 PolarHBondContact O-N 3.12Å; S74-R76 PolarHBondContact O-N 3.45Å
77R77.2Confident74.3Confident164 Ų16486.8 Ų86.862%0.61941%0.413SS*.  trans-81.1152.3175.3-62.9-173.7175.4165.4-2.1111.1C73 D75C73-R77 PolarHBondContact N-O 3.17Å; D75-R77 PolarHBondContact O-N 2.98Å; D75-R77 WeakPolarHBondContact OD1-CB 3.31Å; D75-R77 PolarHBondContact OD1-N 3.22Å; D75-R77 VanDerWaalsContact OD2-CD 3.32Å; D75-R77 WeakPolarHBondContact OD2-CD 3Å; D75-R77 WeakPolarHBondContact OD2-CG 3.5Å
78L78.5Confident72.6Confident94 Ų9490.5 Ų90.549%0.49244%0.437SS..EExtended strand (participates in β ladder)trans-89122.4173-57.7-172.6000109.6I66 T70 C71 I72I66-L78 HydrophobicContact CD1-CD2 3.62Å; T70-L78 HydrophobicContact CG2-CB 4.21Å; T70-L78 HydrophobicContact CG2-CD1 4.19Å; T70-L78 HydrophobicContact CG2-CD2 4.23Å; T70-L78 HydrophobicContact CG2-CG 4.45Å; C71-L78 WeakPolarHBondContact O-CA 3.24Å; I72-L78 HydrophobicContact CB-CD2 4.11Å; I72-L78 HydrophobicContact CG1-CD2 4.25Å
79R75.8Confident71Confident57 Ų5798.2 Ų98.222%0.21547%0.47CS..EExtended strand (participates in β ladder)trans-137164.3179.4-52.8-173.1-170.9-1295110C71 D75 S81 D86C71-R79 WeakPolarHBondContact CA-O 3.1Å; C71-R79 WeakPolarHBondContact CB-O 3Å; C71-R79 PolarHBondContact N-O 3.4Å; C71-R79 PolarHBondContact O-N 3.43Å; D75-R79 IonicContact OD2-CZ 3.77Å; D75-R79 IonicContact OD2-NE 3.41Å; D75-R79 PolarHBondContact OD2-NE 2.78Å; D75-R79 IonicContact OD2-NH2 2.82Å; D75-R79 PolarHBondContact OD2-NH2 3.34Å; R79-S81 VanDerWaalsContact C-N 3.34Å; R79-D86 IonicContact CZ-OD2 2.78Å; R79-D86 VanDerWaalsContact NH1-CB 3.27Å; R79-D86 IonicContact NH1-OD1 3.81Å; R79-D86 PolarHBondContact NH1-OD1 2.9Å; R79-D86 IonicContact NH1-OD2 2.8Å; R79-D86 PolarHBondContact NH1-OD2 3.19Å
80F77.2Confident69.5Low123 Ų123103 Ų10354%0.53949%0.49SS..SBendtrans-74.3-27.2173.4-175.7-92.9000112.6A56 N69 C71A56-F80 HydrophobicContact CB-CE2 3.74Å; A56-F80 HydrophobicContact CB-CZ 3.48Å; A56-F80 VanDerWaalsContact CB-CZ 3.48Å; N69-F80 HydrophobicContact CB-CE2 4.38Å; C71-F80 PolarHBondContact SG-O 2.87Å
81S79.4Confident67.6Low30 Ų30106.6 Ų106.621%0.2152%0.516CS..SBendtrans-157.7140.2173.859.20000108.1R79 R83R79-S81 VanDerWaalsContact C-N 3.34Å; S81-R83 PolarHBondContact O-N 3.48Å
82C80Confident65.6Low16 Ų16114 Ų11411%0.10856%0.556CS.*  trans-85.6102.7173.7-46.40000108.6C59 G63 C73C59-C82 WeakPolarHBondContact O-CA 2.96Å; C59-C82 WeakPolarHBondContact O-CB 3.42Å; C59-C82 PolarHBondContact O-N 2.81Å; C59-C82 PolarHBondContact O-SG 2.9Å; G63-C82 VanDerWaalsContact CA-SG 3.57Å; C73-C82 WeakPolarHBondContact CA-SG 2.96Å; C73-C82 HydrophobicContact CB-CB 3.81Å; C73-C82 WeakPolarHBondContact CB-SG 3.03Å; C73-C82 VanDerWaalsContact SG-CA 3.52Å; C73-C82 WeakPolarHBondContact SG-CB 3.36Å; C73-C82 CovalentContact SG-SG 2.02Å; C73-C82 PolarHBondContact SG-SG 2.83Å
83R72.8Confident63.4Low173 Ų173117.2 Ų117.265%0.65358%0.578SS**  trans-85150.7174-64.8-175.7-178.9-176.60.2109.5S81 E85S81-R83 PolarHBondContact O-N 3.48Å; R83-E85 PolarHBondContact O-N 2.8Å
84E62.4Low61.3Low141 Ų141125.5 Ų125.566%0.65962%0.617SS**THydrogen-bonded Turntrans-77.7-9.9-178.5-59.4-172.5127.700113
85E58.2Low59.4Low175 Ų175128.5 Ų128.582%0.81862%0.621SS**THydrogen-bonded Turntrans-94.85.8-170.7-60.3173.9163.900114R83R83-E85 PolarHBondContact O-N 2.8Å
86D46.3Very low57.3Low82 Ų82133.6 Ų133.644%0.43965%0.648SS.*  trans-98.826.4-178.7-70.2-58.8000113.3R79R79-D86 IonicContact CZ-OD2 2.78Å; R79-D86 VanDerWaalsContact NH1-CB 3.27Å; R79-D86 IonicContact NH1-OD1 3.81Å; R79-D86 PolarHBondContact NH1-OD1 2.9Å; R79-D86 IonicContact NH1-OD2 2.8Å; R79-D86 PolarHBondContact NH1-OD2 3.19Å
87I45.9Very low55.6Low112 Ų112130.6 Ų130.657%0.57465%0.646SS**  trans-112.198.9174.7-59.2171.2000107.9E89I87-E89 PolarHBondContact O-N 3.34Å
88D44.9Very low54.1Low158 Ų158131.2 Ų131.285%0.84566%0.656SS**  trans-64.5127163-64.4-54.6000108.6E90D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.37Å
89E44.4Very low52.2Low200 Ų200131 Ų13194%0.93567%0.667SS**SBendtrans-72.568.2-174.8-64.9-174.6144.100112.5I87I87-E89 PolarHBondContact O-N 3.34Å
90E47.2Very low51Low186 Ų186135.8 Ų135.887%0.86969%0.692SS**  trans-148.454.7177.2-140172.6-140.500115.3D88D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.37Å
91S40.1Very low50Low108 Ų108136 Ų13676%0.75570%0.699SS**  trans-156.968.9150.473.70000112.8
92D40.4Very low49.7Very low157 Ų157141.8 Ų141.884%0.8472%0.723SS**  trans-63.1145.8161.4-109.5-34.4000110.4
93T36.1Very low49.9Very low122 Ų122141.7 Ų141.775%0.74872%0.722SS**  trans64.287.5177.966.50000117.3
94M40.7Very low50.4Low185 Ų185135 Ų13591%0.91170%0.701SS**  trans-106.2110.2142.6-76.5-160.771.700109.5
95Q42.6Very low51.4Low153 Ų153133 Ų13372%0.71570%0.695SS**  trans-68.3158.1173.9-69.4170.6-20.100110.4D97Q95-D97 PolarHBondContact O-N 3.09Å
96L36.3Very low52.8Low183 Ų183129.8 Ų129.896%0.95868%0.683SS**  trans-73.463.6176.4-86.2150.7000111.4
97D42.3Very low54.7Low123 Ų123126 Ų12666%0.65866%0.663SS**  trans-94.9107.2175.8-76.3-30000111.5Q95Q95-D97 PolarHBondContact O-N 3.09Å
98Q45.7Very low56.7Low177 Ų177123.5 Ų123.583%0.82765%0.651SS**  trans24.8117.7145.1-56.6-17811.400117.7E100Q98-E100 PolarHBondContact O-N 3.04Å
99A37.5Very low58.6Low89 Ų89121.6 Ų121.674%0.73664%0.637SS**  trans-57.2102.9179.700000114.3N101A99-N101 PolarHBondContact O-N 3.09Å
100E50.7Low60.5Low158 Ų158113.1 Ų113.174%0.73860%0.597SS**  trans-75.6105.9151-69.6-165.2143.100108.6Q98 Q102Q98-E100 PolarHBondContact O-N 3.04Å; E100-Q102 PolarHBondContact O-N 3.23Å
101N57.1Low62.4Low127 Ų127105 Ų10568%0.67956%0.563SS**  trans-70.629.1175.5-74.5-41.5000113.2A99A99-N101 PolarHBondContact O-N 3.09Å
102Q72.9Confident64.8Low152 Ų152103.8 Ų103.871%0.7155%0.552SS**  trans-106.1122.3-179.1-63.5-172.442.600109.3E100E100-Q102 PolarHBondContact O-N 3.23Å
103C83.7Confident67.1Low14 Ų1498.8 Ų98.810%0.09553%0.528CS..  trans-76.5142.9172-71.60000111D105 N106 C107 C113 A117C103-D105 PolarHBondContact O-N 2.97Å; C103-N106 PolarHBondContact O-N 2.94Å; C103-C107 VanDerWaalsContact CB-SG 3.59Å; C103-C113 HydrophobicContact CB-CB 3.65Å; C103-C113 WeakPolarHBondContact CB-SG 3.3Å; C103-C113 WeakPolarHBondContact SG-CA 2.99Å; C103-C113 WeakPolarHBondContact SG-CB 3.31Å; C103-C113 CovalentContact SG-SG 2.02Å; C103-C113 PolarHBondContact SG-SG 2.91Å; C103-A117 VanDerWaalsContact SG-C 3.58Å; C103-A117 PolarHBondContact SG-O 3.33Å
104P82.2Confident69.6Low33 Ų3398 Ų9821%0.21452%0.516CS..G310 helixtrans-61.8129.9-178.427.8-36.3000110.8N106 C107 R127 K128P104-N106 PolarHBondContact O-N 2.04Å; P104-N106 VanDerWaalsContact O-N 3.09Å; P104-C107 PolarHBondContact O-N 2.85Å; P104-R127 HydrophobicContact CG-CG 4.42Å; P104-K128 HydrophobicContact CB-CD 3.84Å; P104-K128 HydrophobicContact CB-CG 3.84Å; P104-K128 HydrophobicContact CG-CD 4.44Å; P104-K128 HydrophobicContact CG-CG 3.88Å
105D84.5Confident71.6Confident98 Ų9895.1 Ų95.152%0.52451%0.514SS..G310 helixtrans47.132.7-177-50.7-3000114.1C103 C107 N108 K128C103-D105 PolarHBondContact O-N 2.97Å; D105-C107 PolarHBondContact O-N 2.84Å; D105-C107 VanDerWaalsContact O-N 3.09Å; D105-N108 PolarHBondContact O-N 2.84Å; D105-K128 HydrophobicContact CB-CD 3.95Å; D105-K128 IonicContact OD1-NZ 3.47Å; D105-K128 PolarHBondContact OD1-NZ 3.23Å; D105-K128 WeakPolarHBondContact OD2-CD 3.31Å; D105-K128 WeakPolarHBondContact OD2-CE 3.42Å; D105-K128 IonicContact OD2-NZ 3.68Å; D105-K128 PolarHBondContact OD2-NZ 3.45Å
106N87.2Confident73.4Confident109 Ų10989 Ų8958%0.58349%0.491SS*.G310 helixtrans49.136.3-175.4-165.542.6000113.3C103 P104 N108 E109C103-N106 PolarHBondContact O-N 2.94Å; P104-N106 PolarHBondContact O-N 2.04Å; P104-N106 VanDerWaalsContact O-N 3.09Å; N106-N108 PolarHBondContact O-N 2.02Å; N106-E109 PolarHBondContact O-N 2.89Å
107C87.3Confident75.6Confident1 Ų181.5 Ų81.51%0.00746%0.456CS..G310 helixtrans57.427.7-176.8-49.70000114.5C103 P104 D105 E109 H110 C118 K128 C129C103-C107 VanDerWaalsContact CB-SG 3.59Å; P104-C107 PolarHBondContact O-N 2.85Å; D105-C107 PolarHBondContact O-N 2.84Å; D105-C107 VanDerWaalsContact O-N 3.09Å; C107-E109 PolarHBondContact O-N 2.03Å; C107-H110 PolarHBondContact O-N 3.28Å; C107-C118 WeakPolarHBondContact CA-SG 3.39Å; C107-C118 HydrophobicContact CB-CB 3.69Å; C107-C118 WeakPolarHBondContact CB-SG 3.47Å; C107-C118 WeakPolarHBondContact SG-CA 3.48Å; C107-C118 WeakPolarHBondContact SG-CB 3.3Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.99Å; C107-K128 CarbonylContact C-O 3.59Å; C107-K128 VanDerWaalsContact CA-O 3.27Å; C107-K128 WeakPolarHBondContact CA-O 3.49Å; C107-K128 VanDerWaalsContact O-O 3.13Å; C107-C129 WeakPolarHBondContact O-CB 3.23Å
108N86.6Confident77.8Confident60 Ų6076.7 Ų76.732%0.32143%0.432SS..G310 helixtrans47.828.7-174-68-76.1000113.3D105 N106 H110 K128D105-N108 PolarHBondContact O-N 2.84Å; N106-N108 PolarHBondContact O-N 2.02Å; N108-H110 PolarHBondContact O-CD2 3.22Å; N108-H110 PolarHBondContact O-N 3.39Å; N108-K128 PolarHBondContact N-O 3.43Å; N108-K128 VanDerWaalsContact ND2-CB 3.33Å; N108-K128 WeakPolarHBondContact ND2-CB 3.03Å; N108-K128 PolarHBondContact ND2-O 3.43Å
109E84.7Confident79.9Confident119 Ų11972.2 Ų72.256%0.55641%0.413SS*.G310 helixtrans62.2-2-173.1-51-178.3169.900115.2N106 C107 Q121 Q195N106-E109 PolarHBondContact O-N 2.89Å; C107-E109 PolarHBondContact O-N 2.03Å; E109-Q121 PolarHBondContact O-NE2 2.04Å; E109-Q121 VanDerWaalsContact O-NE2 3.1Å; E109-Q195 PolarHBondContact OE2-NE2 3.35Å
110H85.8Confident82.2Confident22 Ų2269.8 Ų69.810%0.10239%0.39CS..SBendtrans-95.320.1179.7-58.3-49.1000113.3C107 N108 Q121 Y124 C129 Q195C107-H110 PolarHBondContact O-N 3.28Å; N108-H110 PolarHBondContact O-CD2 3.22Å; N108-H110 PolarHBondContact O-N 3.39Å; H110-Q121 WeakPolarHBondContact O-CB 3.01Å; H110-Q121 WeakPolarHBondContact O-CG 3.01Å; H110-Q121 PolarHBondContact O-N 2.83Å; H110-Y124 HydrophobicContact CB-CD1 3.64Å; H110-Y124 HydrophobicContact CB-CD2 3.91Å; H110-Y124 HydrophobicContact CB-CE1 3.91Å; H110-Y124 HydrophobicContact CB-CE2 4.18Å; H110-Y124 HydrophobicContact CB-CG 3.64Å; H110-Y124 AromaticContact CD2-CD1 3.66Å; H110-Y124 AromaticContact CD2-CE1 3.19Å; H110-Y124 WeakPolarHBondContact CD2-CE1 3.14Å; H110-Y124 AromaticContact CD2-CZ 3.72Å; H110-Y124 AromaticContact CE1-CE1 3.73Å; H110-Y124 AromaticContact CE1-CZ 3.45Å; H110-Y124 VanDerWaalsContact CE1-CZ 3.45Å; H110-Y124 PolarHBondContact CE1-OH 2.88Å; H110-Y124 AromaticContact CG-CD1 3.64Å; H110-Y124 AromaticContact CG-CE1 3.35Å; H110-Y124 AromaticContact CG-CE2 3.93Å; H110-Y124 AromaticContact CG-CZ 3.53Å; H110-Y124 AromaticContact ND1-CE1 3.69Å; H110-Y124 AromaticContact ND1-CE2 3.72Å; H110-Y124 AromaticContact ND1-CZ 3.36Å; H110-Y124 AromaticContact NE2-CE1 3.44Å; H110-Y124 WeakPolarHBondContact NE2-CE1 3.4Å; H110-Y124 AromaticContact NE2-CZ 3.66Å; H110-C129 HydrophobicContact CB-CB 3.94Å; H110-Q195 PolarHBondContact CE1-OE1 3.03Å
111G86.3Confident84Confident14 Ų1466.6 Ų66.614%0.14438%0.375CS..EExtended strand (participates in β ladder)trans-165.9167-179.200000114.2I119G111-I119 CarbonylContact C-O 3.25Å; G111-I119 WeakPolarHBondContact CA-O 3.38Å
112T90.4Very high85.3Confident84 Ų8463.3 Ų63.352%0.51536%0.359SS..EExtended strand (participates in β ladder)trans-97135.2173.4-56.10000109.7E114 I119T112-E114 HydrophobicContact CG2-CG 4.33Å; T112-I119 PolarHBondContact N-O 3.43Å; T112-I119 PolarHBondContact O-N 3.13Å
113C89.2Confident85.8Confident51 Ų5156.3 Ų56.335%0.34533%0.328SS..EExtended strand (participates in β ladder)trans-83.6115.4174.7-177.10000111.5C103C103-C113 HydrophobicContact CB-CB 3.65Å; C103-C113 WeakPolarHBondContact CB-SG 3.3Å; C103-C113 WeakPolarHBondContact SG-CA 2.99Å; C103-C113 WeakPolarHBondContact SG-CB 3.31Å; C103-C113 CovalentContact SG-SG 2.02Å; C103-C113 PolarHBondContact SG-SG 2.91Å
114E88.1Confident86.1Confident107 Ų10756.4 Ų56.450%0.533%0.327SS..EExtended strand (participates in β ladder)trans-124.6117.1173.5-69.3-168.1-167.500110.6T112 G116 A117 I119T112-E114 HydrophobicContact CG2-CG 4.33Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.92Å; E114-A117 PolarHBondContact N-O 2.89Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-A117 VanDerWaalsContact O-O 3.13Å; E114-I119 HydrophobicContact CB-CD1 3.99Å; E114-I119 HydrophobicContact CB-CG1 4.42Å; E114-I119 HydrophobicContact CG-CD1 3.83Å; E114-I119 HydrophobicContact CG-CG1 4.5Å; E114-I119 VanDerWaalsContact OE2-CD1 3.31Å; E114-I119 WeakPolarHBondContact OE2-CD1 3.48Å
115S82.3Confident86.3Confident123 Ų12357.4 Ų57.486%0.8634%0.335SS*.THydrogen-bonded Turntrans49.841.3178-61.10000114.6A117S115-A117 VanDerWaalsContact C-N 3.27Å; S115-A117 PolarHBondContact O-N 3.26Å
116G80.8Confident86.2Confident24 Ų2454.3 Ų54.325%0.24733%0.325CS..THydrogen-bonded Turntrans79.11.5-179.200000115E114E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.92Å
117A83.4Confident86.2Confident26 Ų2658.8 Ų58.822%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-110.7141.2174.200000111.6C103 E114 S115C103-A117 VanDerWaalsContact SG-C 3.58Å; C103-A117 PolarHBondContact SG-O 3.33Å; E114-A117 PolarHBondContact N-O 2.89Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-A117 VanDerWaalsContact O-O 3.13Å; S115-A117 VanDerWaalsContact C-N 3.27Å; S115-A117 PolarHBondContact O-N 3.26Å
118C87.9Confident86.3Confident22 Ų2261.9 Ų61.915%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-84.2128.8175.2-67.80000111.9C107 R127C107-C118 WeakPolarHBondContact CA-SG 3.39Å; C107-C118 HydrophobicContact CB-CB 3.69Å; C107-C118 WeakPolarHBondContact CB-SG 3.47Å; C107-C118 WeakPolarHBondContact SG-CA 3.48Å; C107-C118 WeakPolarHBondContact SG-CB 3.3Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.99Å; C118-R127 WeakPolarHBondContact CB-O 3.41Å
119I88.4Confident86.4Confident84 Ų8459 Ų5943%0.43133%0.332SS..EExtended strand (participates in β ladder)trans-101.8103168.2-58.1-173.5000107.6G111 T112 E114G111-I119 CarbonylContact C-O 3.25Å; G111-I119 WeakPolarHBondContact CA-O 3.38Å; T112-I119 PolarHBondContact N-O 3.43Å; T112-I119 PolarHBondContact O-N 3.13Å; E114-I119 HydrophobicContact CB-CD1 3.99Å; E114-I119 HydrophobicContact CB-CG1 4.42Å; E114-I119 HydrophobicContact CG-CD1 3.83Å; E114-I119 HydrophobicContact CG-CG1 4.5Å; E114-I119 VanDerWaalsContact OE2-CD1 3.31Å; E114-I119 WeakPolarHBondContact OE2-CD1 3.48Å
120C87.2Confident86.5Confident37 Ų3758 Ų5825%0.2533%0.327CS..EExtended strand (participates in β ladder)trans-73144.8-173.1-52.50000113.2Y124 C129C120-Y124 WeakPolarHBondContact CB-O 3.43Å; C120-C129 WeakPolarHBondContact CA-SG 3.48Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.33Å; C120-C129 WeakPolarHBondContact SG-CA 3.45Å; C120-C129 WeakPolarHBondContact SG-CB 3.45Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.95Å
121Q87.3Confident86.5Confident92 Ų9260.3 Ų60.343%0.4334%0.343SS..PPolyproline II helixtrans-67.2161.8172.4-64.8167.523.200110.8E109 H110 G123 Y124E109-Q121 PolarHBondContact O-NE2 2.04Å; E109-Q121 VanDerWaalsContact O-NE2 3.1Å; H110-Q121 WeakPolarHBondContact O-CB 3.01Å; H110-Q121 WeakPolarHBondContact O-CG 3.01Å; H110-Q121 PolarHBondContact O-N 2.83Å; Q121-G123 PolarHBondContact O-N 3.06Å; Q121-Y124 PolarHBondContact O-N 3.13Å
122T84.4Confident86.5Confident57 Ų5763 Ų6335%0.3535%0.351SS..THydrogen-bonded Turntrans-55.2127.5175.5-62.80000110.3H166 W177 Q182T122-H166 PolarHBondContact O-ND1 2.83Å; T122-W177 HydrophobicContact CG2-CE3 3.99Å; T122-W177 HydrophobicContact CG2-CZ3 3.9Å; T122-Q182 PolarHBondContact OG1-OE1 2.64Å; T122-Q182 VanDerWaalsContact OG1-OE1 3.14Å
123G85Confident86.3Confident5 Ų562.3 Ų62.35%0.05234%0.344CS..THydrogen-bonded Turntrans97.3-2-176.400000115.1Q121 L133Q121-G123 PolarHBondContact O-N 3.06Å; G123-L133 WeakPolarHBondContact O-CB 3.27Å; G123-L133 PolarHBondContact O-N 3.43Å
124Y89.2Confident86.1Confident16 Ų1664.1 Ų64.16%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-125.9152.4-178.1-71.5-88000113.2H110 C120 Q121 C129 T131 K132 E167H110-Y124 HydrophobicContact CB-CD1 3.64Å; H110-Y124 HydrophobicContact CB-CD2 3.91Å; H110-Y124 HydrophobicContact CB-CE1 3.91Å; H110-Y124 HydrophobicContact CB-CE2 4.18Å; H110-Y124 HydrophobicContact CB-CG 3.64Å; H110-Y124 AromaticContact CD2-CD1 3.66Å; H110-Y124 AromaticContact CD2-CE1 3.19Å; H110-Y124 WeakPolarHBondContact CD2-CE1 3.14Å; H110-Y124 AromaticContact CD2-CZ 3.72Å; H110-Y124 AromaticContact CE1-CE1 3.73Å; H110-Y124 AromaticContact CE1-CZ 3.45Å; H110-Y124 VanDerWaalsContact CE1-CZ 3.45Å; H110-Y124 PolarHBondContact CE1-OH 2.88Å; H110-Y124 AromaticContact CG-CD1 3.64Å; H110-Y124 AromaticContact CG-CE1 3.35Å; H110-Y124 AromaticContact CG-CE2 3.93Å; H110-Y124 AromaticContact CG-CZ 3.53Å; H110-Y124 AromaticContact ND1-CE1 3.69Å; H110-Y124 AromaticContact ND1-CE2 3.72Å; H110-Y124 AromaticContact ND1-CZ 3.36Å; H110-Y124 AromaticContact NE2-CE1 3.44Å; H110-Y124 WeakPolarHBondContact NE2-CE1 3.4Å; H110-Y124 AromaticContact NE2-CZ 3.66Å; C120-Y124 WeakPolarHBondContact CB-O 3.43Å; Q121-Y124 PolarHBondContact O-N 3.13Å; Y124-C129 WeakPolarHBondContact CD1-O 3.28Å; Y124-T131 CarbonylContact C-O 3.5Å; Y124-T131 WeakPolarHBondContact CA-O 3.46Å; Y124-K132 HydrophobicContact CD1-CG 4.21Å; Y124-K132 HydrophobicContact CE1-CD 4.26Å; Y124-K132 HydrophobicContact CE1-CG 3.51Å; Y124-K132 VanDerWaalsContact OH-CE 3.24Å; Y124-K132 WeakPolarHBondContact OH-CE 3.19Å; Y124-E167 PolarHBondContact OH-OE1 3.28Å; Y124-E167 PolarHBondContact OH-OE2 3.24Å
125S86.2Confident85.8Confident55 Ų5559.8 Ų59.839%0.38534%0.337SS..EExtended strand (participates in β ladder)trans-154.5-179.1177.5-158.10000111.6C129 E130 T131S125-C129 CarbonylContact O-C 3.57Å; S125-C129 VanDerWaalsContact O-C 3.25Å; S125-C129 VanDerWaalsContact O-CA 3.26Å; S125-C129 WeakPolarHBondContact O-CA 3.47Å; S125-E130 PolarHBondContact O-N 3.19Å; S125-T131 PolarHBondContact N-O 2.77Å; S125-T131 WeakPolarHBondContact O-CB 3.31Å; S125-T131 PolarHBondContact O-N 2.86Å
126G83.4Confident86Confident32 Ų3255.3 Ų55.333%0.3331%0.307SS..SBendtrans96.7173.2-171.200000112.7K128 E130G126-K128 VanDerWaalsContact C-N 3.27Å; G126-K128 PolarHBondContact O-N 2.93Å; G126-E130 VanDerWaalsContact CA-OE2 3.29Å; G126-E130 WeakPolarHBondContact CA-OE2 3.42Å
127R87.3Confident86.4Confident203 Ų20354.1 Ų54.177%0.76630%0.296SS*.THydrogen-bonded Turntrans-73.2-24.5-175-177.8176.9175.1-173-0.9112P104 C118 E130P104-R127 HydrophobicContact CG-CG 4.42Å; C118-R127 WeakPolarHBondContact CB-O 3.41Å; R127-E130 PolarHBondContact N-OE1 2.93Å; R127-E130 PolarHBondContact N-OE2 3.48Å; R127-E130 VanDerWaalsContact N-OE2 3.09Å
128K89.2Confident86.7Confident66 Ų6654.8 Ų54.829%0.28729%0.293SS..THydrogen-bonded Turntrans-116.811.3-179.7-39.4-164.9-175.9-172.60111.9P104 D105 C107 N108 G126 E130P104-K128 HydrophobicContact CB-CD 3.84Å; P104-K128 HydrophobicContact CB-CG 3.84Å; P104-K128 HydrophobicContact CG-CD 4.44Å; P104-K128 HydrophobicContact CG-CG 3.88Å; D105-K128 HydrophobicContact CB-CD 3.95Å; D105-K128 IonicContact OD1-NZ 3.47Å; D105-K128 PolarHBondContact OD1-NZ 3.23Å; D105-K128 WeakPolarHBondContact OD2-CD 3.31Å; D105-K128 WeakPolarHBondContact OD2-CE 3.42Å; D105-K128 IonicContact OD2-NZ 3.68Å; D105-K128 PolarHBondContact OD2-NZ 3.45Å; C107-K128 CarbonylContact C-O 3.59Å; C107-K128 VanDerWaalsContact CA-O 3.27Å; C107-K128 WeakPolarHBondContact CA-O 3.49Å; C107-K128 VanDerWaalsContact O-O 3.13Å; N108-K128 PolarHBondContact N-O 3.43Å; N108-K128 VanDerWaalsContact ND2-CB 3.33Å; N108-K128 WeakPolarHBondContact ND2-CB 3.03Å; N108-K128 PolarHBondContact ND2-O 3.43Å; G126-K128 VanDerWaalsContact C-N 3.27Å; G126-K128 PolarHBondContact O-N 2.93Å; K128-E130 VanDerWaalsContact CA-OE2 3.23Å; K128-E130 WeakPolarHBondContact CA-OE2 3.23Å; K128-E130 WeakPolarHBondContact CB-OE2 3.35Å; K128-E130 PolarHBondContact N-OE2 2.87Å; K128-E130 PolarHBondContact O-N 3.37Å
129C88.3Confident86.8Confident0 Ų054.6 Ų54.60%029%0.291CS..SBendtrans59.730.6-171.6-48.30000114.4C107 H110 C120 Y124 S125C107-C129 WeakPolarHBondContact O-CB 3.23Å; H110-C129 HydrophobicContact CB-CB 3.94Å; C120-C129 WeakPolarHBondContact CA-SG 3.48Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.33Å; C120-C129 WeakPolarHBondContact SG-CA 3.45Å; C120-C129 WeakPolarHBondContact SG-CB 3.45Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.95Å; Y124-C129 WeakPolarHBondContact CD1-O 3.28Å; S125-C129 CarbonylContact O-C 3.57Å; S125-C129 VanDerWaalsContact O-C 3.25Å; S125-C129 VanDerWaalsContact O-CA 3.26Å; S125-C129 WeakPolarHBondContact O-CA 3.47Å
130E86.9Confident86.6Confident98 Ų9852.3 Ų52.346%0.45828%0.282SS..  trans-75.6-21.1-177.366.8-84.7-150.900114.4S125 G126 R127 K128S125-E130 PolarHBondContact O-N 3.19Å; G126-E130 VanDerWaalsContact CA-OE2 3.29Å; G126-E130 WeakPolarHBondContact CA-OE2 3.42Å; R127-E130 PolarHBondContact N-OE1 2.93Å; R127-E130 PolarHBondContact N-OE2 3.48Å; R127-E130 VanDerWaalsContact N-OE2 3.09Å; K128-E130 VanDerWaalsContact CA-OE2 3.23Å; K128-E130 WeakPolarHBondContact CA-OE2 3.23Å; K128-E130 WeakPolarHBondContact CB-OE2 3.35Å; K128-E130 PolarHBondContact N-OE2 2.87Å; K128-E130 PolarHBondContact O-N 3.37Å
131T86.1Confident85.9Confident70 Ų7053.2 Ų53.243%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-98.9109-173.7-56.10000110.9Y124 S125 L133Y124-T131 CarbonylContact C-O 3.5Å; Y124-T131 WeakPolarHBondContact CA-O 3.46Å; S125-T131 PolarHBondContact N-O 2.77Å; S125-T131 WeakPolarHBondContact O-CB 3.31Å; S125-T131 PolarHBondContact O-N 2.86Å; T131-L133 PolarHBondContact O-N 3.49Å
132K86.4Confident84.6Confident72 Ų7255.9 Ų55.931%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-65.1120.5166.7-66.9-162.8-177-1610109.7Y124 T165 E167 E194 Q195Y124-K132 HydrophobicContact CD1-CG 4.21Å; Y124-K132 HydrophobicContact CE1-CD 4.26Å; Y124-K132 HydrophobicContact CE1-CG 3.51Å; Y124-K132 VanDerWaalsContact OH-CE 3.24Å; Y124-K132 WeakPolarHBondContact OH-CE 3.19Å; K132-T165 HydrophobicContact CB-CG2 4.23Å; K132-T165 HydrophobicContact CD-CG2 4.48Å; K132-E167 IonicContact NZ-OE2 3.33Å; K132-E167 PolarHBondContact NZ-OE2 3.34Å; K132-E194 IonicContact NZ-OE2 3.33Å; K132-Q195 PolarHBondContact NZ-O 3.05Å
133L85.1Confident83.3Confident69 Ų6965.2 Ų65.236%0.36132%0.323SS..  trans-83.3145.2174.4-63.2177000110.5G123 T131 T165 W177G123-L133 WeakPolarHBondContact O-CB 3.27Å; G123-L133 PolarHBondContact O-N 3.43Å; T131-L133 PolarHBondContact O-N 3.49Å; L133-T165 WeakPolarHBondContact O-CA 3.03Å; L133-W177 HydrophobicContact CB-CH2 4.08Å; L133-W177 HydrophobicContact CB-CZ2 4.49Å; L133-W177 WeakPolarHBondContact O-CZ2 3.2Å
134T84.4Confident82.2Confident89 Ų8968 Ų6855%0.54635%0.352SS..EExtended strand (participates in β ladder)trans-107.9155.8170.1590000111.5L164 T165T134-L164 CarbonylContact C-O 3.59Å; T134-L164 VanDerWaalsContact CA-O 3.25Å; T134-L164 WeakPolarHBondContact CA-O 3.36Å; T134-T165 HydrophobicContact CG2-CG2 4.11Å
135G82.8Confident80.5Confident16 Ų1673.1 Ų73.117%0.16538%0.38CS..EExtended strand (participates in β ladder)trans-170.5173.7-176.300000112.5C137 L164G135-C137 PolarHBondContact O-N 2.98Å; G135-L164 PolarHBondContact N-O 3.14Å; G135-L164 PolarHBondContact O-N 2.92Å
136A86.2Confident80Confident28 Ų2872.1 Ų72.123%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-64.4129.2179.400000111.2Y138 W177 G178A136-Y138 HydrophobicContact CB-CE2 3.81Å; A136-W177 CarbonylContact O-C 3.49Å; A136-W177 WeakPolarHBondContact O-CA 3.36Å; A136-G178 PolarHBondContact O-N 2.71Å
137C90.2Very high80Confident0 Ų072.4 Ų72.40%037%0.368CS..EExtended strand (participates in β ladder)trans-99.9136172.5-171.60000110.4G135 P149 M150 L164 C169G135-C137 PolarHBondContact O-N 2.98Å; C137-P149 CarbonylContact O-C 3.58Å; C137-P149 VanDerWaalsContact O-CA 3.3Å; C137-P149 WeakPolarHBondContact O-CA 3.49Å; C137-M150 HydrophobicContact CB-CB 4.34Å; C137-M150 HydrophobicContact CB-CG 4.13Å; C137-M150 HydrophobicContact CB-SD 4.15Å; C137-M150 PolarHBondContact O-N 2.86Å; C137-L164 HydrophobicContact CB-CB 4.32Å; C137-L164 HydrophobicContact CB-CD1 3.85Å; C137-L164 HydrophobicContact CB-CG 4.35Å; C137-C169 WeakPolarHBondContact CA-SG 3.41Å; C137-C169 HydrophobicContact CB-CB 3.7Å; C137-C169 WeakPolarHBondContact CB-SG 3.39Å; C137-C169 WeakPolarHBondContact SG-CA 3.39Å; C137-C169 WeakPolarHBondContact SG-CB 3.32Å; C137-C169 CovalentContact SG-SG 2.03Å; C137-C169 PolarHBondContact SG-SG 2.04Å
138Y89.8Confident79.5Confident40 Ų4066.2 Ų66.216%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-120.5128-176.4-59.2-93.3000111.2A136 C146 P149 G174 I175 A176 C181A136-Y138 HydrophobicContact CB-CE2 3.81Å; Y138-C146 HydrophobicContact CD1-CB 3.6Å; Y138-C146 HydrophobicContact CD2-CB 3.91Å; Y138-C146 HydrophobicContact CE1-CB 3.89Å; Y138-C146 HydrophobicContact CE2-CB 4.19Å; Y138-C146 HydrophobicContact CG-CB 3.6Å; Y138-P149 HydrophobicContact CD1-CB 3.96Å; Y138-P149 HydrophobicContact CE1-CB 3.9Å; Y138-G174 CarbonylContact O-C 3.21Å; Y138-G174 WeakPolarHBondContact O-CA 3.07Å; Y138-I175 PolarHBondContact O-N 2.54Å; Y138-A176 PolarHBondContact N-O 2.93Å; Y138-A176 PolarHBondContact O-N 2.56Å; Y138-C181 HydrophobicContact CD2-CB 4.39Å; Y138-C181 WeakPolarHBondContact CD2-SG 3.39Å; Y138-C181 HydrophobicContact CE2-CB 3.91Å; Y138-C181 VanDerWaalsContact CE2-SG 3.52Å
139T88.9Confident79.3Confident17 Ų1765.3 Ų65.310%0.10435%0.351CS..EExtended strand (participates in β ladder)trans-86.9-13.2-176.465.90000113.4N148 M150 T237 L239T139-N148 PolarHBondContact N-O 3.29Å; T139-N148 VanDerWaalsContact N-O 3.11Å; T139-N148 VanDerWaalsContact OG1-CB 3.25Å; T139-N148 WeakPolarHBondContact OG1-CB 3.32Å; T139-N148 PolarHBondContact OG1-O 2.95Å; T139-M150 HydrophobicContact CG2-CG 4.02Å; T139-T237 PolarHBondContact OG1-O 2.94Å; T139-L239 HydrophobicContact CG2-CD1 3.68Å; T139-L239 HydrophobicContact CG2-CG 3.96Å
140S83.5Confident79.2Confident36 Ų3665.8 Ų65.825%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-149.6158.4-175-160.90000114.2V147S140-V147 PolarHBondContact N-O 2.96Å; S140-V147 PolarHBondContact O-N 3.12Å
141L74.5Confident78.7Confident56 Ų5665 Ų6529%0.29335%0.349SS..EExtended strand (participates in β ladder)trans-124122.6178.6-76.5166.8000108.9L145 C146 I175 I183L141-L145 CarbonylContact C-O 3.54Å; L141-L145 WeakPolarHBondContact CA-O 3.44Å; L141-C146 HydrophobicContact CD2-CB 4.49Å; L141-I175 HydrophobicContact CB-CD1 4.12Å; L141-I175 HydrophobicContact CD1-CD1 3.87Å; L141-I175 HydrophobicContact CD1-CG1 4.35Å; L141-I175 HydrophobicContact CG-CD1 3.74Å; L141-I175 HydrophobicContact CG-CG1 4.21Å; L141-I183 HydrophobicContact CD1-CD1 3.97Å; L141-I183 HydrophobicContact CD1-CG1 4.07Å; L141-I183 HydrophobicContact CD1-CG2 4.49Å
142K59.3Low78.1Confident148 Ų14865.5 Ų65.564%0.64334%0.344SS*.EExtended strand (participates in β ladder)trans-117.1106.1178.8-169.5173.6-175.6177.10109.4G144 L145 V147K142-G144 VanDerWaalsContact C-N 3.25Å; K142-G144 PolarHBondContact O-N 3.07Å; K142-L145 PolarHBondContact N-O 2.58Å; K142-L145 WeakPolarHBondContact O-CB 3.39Å; K142-L145 PolarHBondContact O-N 3.13Å; K142-L145 VanDerWaalsContact O-N 3.15Å; K142-V147 HydrophobicContact CB-CB 4.5Å; K142-V147 HydrophobicContact CB-CG1 3.88Å; K142-V147 HydrophobicContact CB-CG2 3.77Å
143R56.9Low77.2Confident253 Ų25367.3 Ų67.396%0.95535%0.349SS*.THydrogen-bonded Turntrans55.537.4-174.1-56.6178.7175.8167.4-2.1113.1L145R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 2.98Å
144G62.2Low76.5Confident63 Ų6368.9 Ų68.965%0.64936%0.356SS*.THydrogen-bonded Turntrans82.5-5.6-178.700000115.3K142K142-G144 VanDerWaalsContact C-N 3.25Å; K142-G144 PolarHBondContact O-N 3.07Å
145L53.7Low75.5Confident124 Ų12466.5 Ų66.565%0.64934%0.343SS*.EExtended strand (participates in β ladder)trans-86.8135.2172-61.5169.5000110.1L141 K142 R143 V147L141-L145 CarbonylContact C-O 3.54Å; L141-L145 WeakPolarHBondContact CA-O 3.44Å; K142-L145 PolarHBondContact N-O 2.58Å; K142-L145 WeakPolarHBondContact O-CB 3.39Å; K142-L145 PolarHBondContact O-N 3.13Å; K142-L145 VanDerWaalsContact O-N 3.15Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 2.98Å; L145-V147 PolarHBondContact O-N 3.02Å
146C75.9Confident74.4Confident34 Ų3472.5 Ų72.523%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-66.9125.9170.8-55.90000109.9Y138 L141 C181Y138-C146 HydrophobicContact CD1-CB 3.6Å; Y138-C146 HydrophobicContact CD2-CB 3.91Å; Y138-C146 HydrophobicContact CE1-CB 3.89Å; Y138-C146 HydrophobicContact CE2-CB 4.19Å; Y138-C146 HydrophobicContact CG-CB 3.6Å; L141-C146 HydrophobicContact CD2-CB 4.49Å; C146-C181 HydrophobicContact CB-CB 3.84Å; C146-C181 WeakPolarHBondContact CB-SG 3.16Å; C146-C181 WeakPolarHBondContact SG-CB 3.22Å; C146-C181 CovalentContact SG-SG 2.03Å; C146-C181 PolarHBondContact SG-SG 2.92Å
147V82.5Confident72.8Confident38 Ų3879.8 Ų79.823%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-136.6169.5-179.5-60.90000109.6S140 K142 L145S140-V147 PolarHBondContact N-O 2.96Å; S140-V147 PolarHBondContact O-N 3.12Å; K142-V147 HydrophobicContact CB-CB 4.5Å; K142-V147 HydrophobicContact CB-CG1 3.88Å; K142-V147 HydrophobicContact CB-CG2 3.77Å; L145-V147 PolarHBondContact O-N 3.02Å
148N77Confident71Confident73 Ų7384.4 Ų84.439%0.3942%0.415SS..EExtended strand (participates in β ladder)trans51.563.1-173.6-585.9000111.1T139 T237T139-N148 PolarHBondContact N-O 3.29Å; T139-N148 VanDerWaalsContact N-O 3.11Å; T139-N148 VanDerWaalsContact OG1-CB 3.25Å; T139-N148 WeakPolarHBondContact OG1-CB 3.32Å; T139-N148 PolarHBondContact OG1-O 2.95Å; N148-T237 PolarHBondContact ND2-O 2.81Å
149P85.1Confident69.8Low47 Ų4787.6 Ų87.631%0.30543%0.427SS..EExtended strand (participates in β ladder)trans-58.6142.7168.328.4-34.2000109.3C137 Y138 Q151C137-P149 CarbonylContact O-C 3.58Å; C137-P149 VanDerWaalsContact O-CA 3.3Å; C137-P149 WeakPolarHBondContact O-CA 3.49Å; Y138-P149 HydrophobicContact CD1-CB 3.96Å; Y138-P149 HydrophobicContact CE1-CB 3.9Å; P149-Q151 HydrophobicContact CG-CG 4.43Å; P149-Q151 PolarHBondContact O-N 3.4Å
150M85.6Confident68.6Low10 Ų1091.6 Ų91.65%0.04945%0.445CS..  trans-61.3124.2172.9-76.3-163.260.900109.6C137 T139 A161 I162 L164 L173 V211 L239C137-M150 HydrophobicContact CB-CB 4.34Å; C137-M150 HydrophobicContact CB-CG 4.13Å; C137-M150 HydrophobicContact CB-SD 4.15Å; C137-M150 PolarHBondContact O-N 2.86Å; T139-M150 HydrophobicContact CG2-CG 4.02Å; M150-A161 WeakPolarHBondContact O-CA 3.48Å; M150-I162 HydrophobicContact CB-CB 4.4Å; M150-I162 HydrophobicContact CE-CD1 4.4Å; M150-I162 PolarHBondContact O-N 3.27Å; M150-L164 HydrophobicContact CE-CD1 4.07Å; M150-L164 HydrophobicContact SD-CD1 3.52Å; M150-L164 VanDerWaalsContact SD-CD1 3.52Å; M150-L173 HydrophobicContact CE-CD1 4.03Å; M150-L173 HydrophobicContact SD-CB 3.85Å; M150-L173 HydrophobicContact SD-CD1 3.98Å; M150-L173 HydrophobicContact SD-CG 4.48Å; M150-V211 HydrophobicContact CE-CG2 4.16Å; M150-L239 HydrophobicContact CE-CD1 3.56Å; M150-L239 HydrophobicContact CG-CD1 3.88Å; M150-L239 HydrophobicContact SD-CD1 3.48Å; M150-L239 WeakPolarHBondContact SD-CD1 3.46Å
151Q77.4Confident68.1Low81 Ų8192.3 Ų92.338%0.37945%0.453SS..EExtended strand (participates in β ladder)trans-139.6137.9-176.2-74.5178.4-25.800109.7P149 Y159 E160 Q213P149-Q151 HydrophobicContact CG-CG 4.43Å; P149-Q151 PolarHBondContact O-N 3.4Å; Q151-Y159 HydrophobicContact CB-CD1 4.36Å; Q151-E160 CarbonylContact C-O 3.45Å; Q151-E160 WeakPolarHBondContact CA-O 3.44Å; Q151-Q213 PolarHBondContact O-NE2 3.06Å
152Y71.9Confident68.5Low82 Ų8290.1 Ų90.132%0.32244%0.441SS..EExtended strand (participates in β ladder)trans-98.2151168.279.1-74.8000109.5I154 Y159 E160 I162Y152-I154 HydrophobicContact CD2-CG1 4.36Å; Y152-I154 HydrophobicContact CE2-CG1 3.72Å; Y152-Y159 WeakPolarHBondContact O-CA 3.44Å; Y152-E160 HydrophobicContact CD1-CB 4.18Å; Y152-E160 WeakPolarHBondContact CD1-O 3.19Å; Y152-E160 HydrophobicContact CE1-CB 3.59Å; Y152-E160 HydrophobicContact CE1-CG 3.85Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.43Å; Y152-E160 PolarHBondContact N-O 2.86Å; Y152-E160 PolarHBondContact O-N 2.04Å; Y152-E160 VanDerWaalsContact O-N 3.12Å; Y152-E160 PolarHBondContact OH-OE2 3.19Å; Y152-I162 HydrophobicContact CD1-CD1 4.5Å; Y152-I162 HydrophobicContact CD1-CG1 3.92Å
153R68.4Low69.7Low110 Ų11087 Ų8742%0.41544%0.437SS..EExtended strand (participates in β ladder)trans-84.7119.7-179.9-176.5-173.1-63.5-147.5-4.9110S155 Y159R153-S155 VanDerWaalsContact CD-O 3.31Å; R153-S155 WeakPolarHBondContact CD-O 3.48Å; R153-S155 WeakPolarHBondContact CG-O 3.25Å; R153-Y159 HydrophobicContact CB-CD1 4.27Å; R153-Y159 HydrophobicContact CB-CE1 4.01Å; R153-Y159 HydrophobicContact CG-CE1 4.24Å; R153-Y159 PolarHBondContact NH2-OH 2.91Å
154I69.9Low71.2Confident101 Ų10175.7 Ų75.752%0.51840%0.395SS..SBendtrans-88.5-42.5170.3-61.1172.7000110.3Y152 D158 E160Y152-I154 HydrophobicContact CD2-CG1 4.36Å; Y152-I154 HydrophobicContact CE2-CG1 3.72Å; I154-D158 HydrophobicContact CB-CB 4.41Å; I154-D158 PolarHBondContact N-O 2.95Å; I154-E160 HydrophobicContact CD1-CB 3.49Å; I154-E160 VanDerWaalsContact CD1-CB 3.49Å; I154-E160 HydrophobicContact CD1-CG 4.46Å; I154-E160 HydrophobicContact CG1-CB 4.25Å
155S63.4Low72.6Confident39 Ų3973.7 Ų73.727%0.27337%0.37SS..SBendtrans-139-174.1-174.997.50000112.3R153 Y157 D158R153-S155 VanDerWaalsContact CD-O 3.31Å; R153-S155 WeakPolarHBondContact CD-O 3.48Å; R153-S155 WeakPolarHBondContact CG-O 3.25Å; S155-Y157 PolarHBondContact O-N 3.01Å; S155-Y157 PolarHBondContact OG-N 3.19Å; S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-O 2.94Å; S155-D158 VanDerWaalsContact N-O 3.13Å; S155-D158 WeakPolarHBondContact OG-CB 3.24Å; S155-D158 VanDerWaalsContact OG-CG 3.24Å; S155-D158 PolarHBondContact OG-N 3.19Å; S155-D158 PolarHBondContact OG-OD2 3.12Å
156Q59.2Low74.3Confident143 Ų14368.5 Ų68.567%0.66834%0.342SS*.SBendtrans-62.9-21.9173.1-174.3172-7.400113.1
157Y53.2Low75Confident180 Ų18067.2 Ų67.271%0.70633%0.333SS*.SBendtrans-129.2-17.5-176.6-60.7-76000114S155S155-Y157 PolarHBondContact O-N 3.01Å; S155-Y157 PolarHBondContact OG-N 3.19Å
158D51.9Low75.5Confident98 Ų9866.8 Ų66.852%0.52433%0.329SS..  trans-101.6134.4-175.3-51.2-60.9000112.2I154 S155I154-D158 HydrophobicContact CB-CB 4.41Å; I154-D158 PolarHBondContact N-O 2.95Å; S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-O 2.94Å; S155-D158 VanDerWaalsContact N-O 3.13Å; S155-D158 WeakPolarHBondContact OG-CB 3.24Å; S155-D158 VanDerWaalsContact OG-CG 3.24Å; S155-D158 PolarHBondContact OG-N 3.19Å; S155-D158 PolarHBondContact OG-OD2 3.12Å
159Y65.2Low76.2Confident106 Ų10663.3 Ų63.342%0.41631%0.311SS..EExtended strand (participates in β ladder)trans-133.8139-179.7-69-95.6000108.8Q151 Y152 R153Q151-Y159 HydrophobicContact CB-CD1 4.36Å; Y152-Y159 WeakPolarHBondContact O-CA 3.44Å; R153-Y159 HydrophobicContact CB-CD1 4.27Å; R153-Y159 HydrophobicContact CB-CE1 4.01Å; R153-Y159 HydrophobicContact CG-CE1 4.24Å; R153-Y159 PolarHBondContact NH2-OH 2.91Å
160E64.9Low76.6Confident101 Ų10161.6 Ų61.647%0.47230%0.3SS..EExtended strand (participates in β ladder)trans-120.4143.2176.2177.6169.6-123.600110.3Q151 Y152 I154Q151-E160 CarbonylContact C-O 3.45Å; Q151-E160 WeakPolarHBondContact CA-O 3.44Å; Y152-E160 HydrophobicContact CD1-CB 4.18Å; Y152-E160 WeakPolarHBondContact CD1-O 3.19Å; Y152-E160 HydrophobicContact CE1-CB 3.59Å; Y152-E160 HydrophobicContact CE1-CG 3.85Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.43Å; Y152-E160 PolarHBondContact N-O 2.86Å; Y152-E160 PolarHBondContact O-N 2.04Å; Y152-E160 VanDerWaalsContact O-N 3.12Å; Y152-E160 PolarHBondContact OH-OE2 3.19Å; I154-E160 HydrophobicContact CD1-CB 3.49Å; I154-E160 VanDerWaalsContact CD1-CB 3.49Å; I154-E160 HydrophobicContact CD1-CG 4.46Å; I154-E160 HydrophobicContact CG1-CB 4.25Å
161A72.2Confident76.9Confident51 Ų5161.1 Ų61.142%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-72.3138.1-177.600000110.7M150 P163M150-A161 WeakPolarHBondContact O-CA 3.48Å; A161-P163 WeakPolarHBondContact O-CD 3.48Å
162I81.8Confident77.7Confident10 Ų1057.8 Ų57.85%0.05128%0.284CS..  trans-94111.6-179.5-51177.9000108.1M150 Y152 L164 D209M150-I162 HydrophobicContact CB-CB 4.4Å; M150-I162 HydrophobicContact CE-CD1 4.4Å; M150-I162 PolarHBondContact O-N 3.27Å; Y152-I162 HydrophobicContact CD1-CD1 4.5Å; Y152-I162 HydrophobicContact CD1-CG1 3.92Å; I162-L164 HydrophobicContact CG2-CD2 3.68Å; I162-L164 HydrophobicContact CG2-CG 4.14Å; I162-L164 PolarHBondContact O-N 3.24Å; I162-D209 VanDerWaalsContact CD1-C 3.46Å; I162-D209 HydrophobicContact CD1-CB 4.05Å; I162-D209 WeakPolarHBondContact CD1-O 3.07Å; I162-D209 HydrophobicContact CG2-CB 4.12Å
163P84.8Confident78.6Confident84 Ų8454.6 Ų54.655%0.54527%0.272SS..EExtended strand (participates in β ladder)trans-78.7108.4178.831.9-33000109.7A161A161-P163 WeakPolarHBondContact O-CD 3.48Å
164L89Confident79.7Confident14 Ų1450 Ų507%0.07326%0.258CS..EExtended strand (participates in β ladder)trans-106156.7179.7-60.9-176.7000111.2T134 G135 C137 M150 I162 I168 C169 L173 W177 V208T134-L164 CarbonylContact C-O 3.59Å; T134-L164 VanDerWaalsContact CA-O 3.25Å; T134-L164 WeakPolarHBondContact CA-O 3.36Å; G135-L164 PolarHBondContact N-O 3.14Å; G135-L164 PolarHBondContact O-N 2.92Å; C137-L164 HydrophobicContact CB-CB 4.32Å; C137-L164 HydrophobicContact CB-CD1 3.85Å; C137-L164 HydrophobicContact CB-CG 4.35Å; M150-L164 HydrophobicContact CE-CD1 4.07Å; M150-L164 HydrophobicContact SD-CD1 3.52Å; M150-L164 VanDerWaalsContact SD-CD1 3.52Å; I162-L164 HydrophobicContact CG2-CD2 3.68Å; I162-L164 HydrophobicContact CG2-CG 4.14Å; I162-L164 PolarHBondContact O-N 3.24Å; L164-I168 HydrophobicContact CD1-CG2 4.28Å; L164-I168 HydrophobicContact CD2-CG2 4.46Å; L164-C169 HydrophobicContact CB-CB 4.46Å; L164-L173 HydrophobicContact CD1-CD1 3.89Å; L164-W177 PolarHBondContact O-NE1 2.84Å; L164-V208 HydrophobicContact CD1-CG1 4.03Å; L164-V208 HydrophobicContact CD2-CG1 3.51Å; L164-V208 HydrophobicContact CG-CG1 4.45Å
165T91.4Very high80.7Confident21 Ų2148.5 Ų48.513%0.12925%0.251CS..EExtended strand (participates in β ladder)trans-67.2158.5168.463.90000110.6K132 L133 T134 E167 I168 C169 W177K132-T165 HydrophobicContact CB-CG2 4.23Å; K132-T165 HydrophobicContact CD-CG2 4.48Å; L133-T165 WeakPolarHBondContact O-CA 3.03Å; T134-T165 HydrophobicContact CG2-CG2 4.11Å; T165-E167 VanDerWaalsContact C-N 3.25Å; T165-E167 PolarHBondContact O-N 3.09Å; T165-I168 WeakPolarHBondContact OG1-CB 3.39Å; T165-I168 WeakPolarHBondContact OG1-CD1 3.18Å; T165-I168 VanDerWaalsContact OG1-CG1 3.28Å; T165-I168 WeakPolarHBondContact OG1-CG1 3.35Å; T165-I168 PolarHBondContact OG1-N 3.13Å; T165-C169 WeakPolarHBondContact O-CB 3.18Å; T165-C169 PolarHBondContact O-N 3.39Å; T165-W177 PolarHBondContact O-NE1 3.1Å
166H89.7Confident82Confident16 Ų1646.6 Ų46.67%0.07424%0.238CC..Hα-helixtrans-58.2-39.8175.5179.3-100.2000111.7T122 C170 W177T122-H166 PolarHBondContact O-ND1 2.83Å; H166-C170 VanDerWaalsContact CD2-SG 3.6Å; H166-C170 PolarHBondContact NE2-SG 3.34Å; H166-C170 VanDerWaalsContact NE2-SG 3.44Å; H166-C170 WeakPolarHBondContact O-CB 3.41Å; H166-C170 PolarHBondContact O-N 3.43Å; H166-W177 HydrophobicContact CB-CD2 3.86Å; H166-W177 HydrophobicContact CB-CE3 4.02Å; H166-W177 HydrophobicContact CB-CG 4.39Å; H166-W177 HydrophobicContact CB-CH2 4.31Å; H166-W177 HydrophobicContact CB-CZ2 4.16Å; H166-W177 HydrophobicContact CB-CZ3 4.24Å; H166-W177 AromaticContact CD2-CD2 3.8Å; H166-W177 AromaticContact CD2-CE3 3.6Å
167E90.2Very high83.6Confident6 Ų640.8 Ų40.83%0.02821%0.21CC..Hα-helixtrans-65.7-53.4179.4-69.7178.9170.700112.4Y124 K132 T165 C169 C170 N171 T187 E194 Q195Y124-E167 PolarHBondContact OH-OE1 3.28Å; Y124-E167 PolarHBondContact OH-OE2 3.24Å; K132-E167 IonicContact NZ-OE2 3.33Å; K132-E167 PolarHBondContact NZ-OE2 3.34Å; T165-E167 VanDerWaalsContact C-N 3.25Å; T165-E167 PolarHBondContact O-N 3.09Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 3.05Å; E167-C170 PolarHBondContact O-N 2.79Å; E167-N171 WeakPolarHBondContact O-CB 3.44Å; E167-N171 PolarHBondContact O-N 3.45Å; E167-T187 HydrophobicContact CG-CG2 4.13Å; E167-E194 HydrophobicContact CB-CB 4.09Å; E167-Q195 PolarHBondContact OE2-N 3.09Å
168I92.9Very high84.9Confident30 Ų3032.4 Ų32.415%0.15418%0.178CC..Iπ-helixtrans-58.8-41.8178.6-65.8170.2000110.5L164 T165 A172 L173 I203 V208L164-I168 HydrophobicContact CD1-CG2 4.28Å; L164-I168 HydrophobicContact CD2-CG2 4.46Å; T165-I168 WeakPolarHBondContact OG1-CB 3.39Å; T165-I168 WeakPolarHBondContact OG1-CD1 3.18Å; T165-I168 VanDerWaalsContact OG1-CG1 3.28Å; T165-I168 WeakPolarHBondContact OG1-CG1 3.35Å; T165-I168 PolarHBondContact OG1-N 3.13Å; I168-A172 WeakPolarHBondContact O-CB 3.25Å; I168-A172 PolarHBondContact O-N 2.94Å; I168-L173 HydrophobicContact CG2-CD1 4.05Å; I168-L173 PolarHBondContact O-N 3.27Å; I168-I203 HydrophobicContact CG1-CG2 4.27Å; I168-I203 HydrophobicContact CG2-CG2 4.35Å; I168-V208 HydrophobicContact CG2-CG1 4.44Å; I168-V208 HydrophobicContact CG2-CG2 3.78Å
169C92.7Very high85.7Confident0 Ų036.6 Ų36.60%019%0.194CC..Iπ-helixtrans-65.1-55.6175.8-175.80000112.4C137 L164 T165 E167 L173 G174 A176 W177C137-C169 WeakPolarHBondContact CA-SG 3.41Å; C137-C169 HydrophobicContact CB-CB 3.7Å; C137-C169 WeakPolarHBondContact CB-SG 3.39Å; C137-C169 WeakPolarHBondContact SG-CA 3.39Å; C137-C169 WeakPolarHBondContact SG-CB 3.32Å; C137-C169 CovalentContact SG-SG 2.03Å; C137-C169 PolarHBondContact SG-SG 2.04Å; L164-C169 HydrophobicContact CB-CB 4.46Å; T165-C169 WeakPolarHBondContact O-CB 3.18Å; T165-C169 PolarHBondContact O-N 3.39Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 3.05Å; C169-L173 PolarHBondContact O-N 2.9Å; C169-L173 VanDerWaalsContact O-N 3.17Å; C169-G174 WeakPolarHBondContact O-CA 3.32Å; C169-G174 PolarHBondContact O-N 3.01Å; C169-A176 PolarHBondContact SG-O 3.45Å; C169-A176 VanDerWaalsContact SG-O 3.4Å; C169-W177 HydrophobicContact CB-CB 4.31Å; C169-W177 VanDerWaalsContact CB-CD1 3.47Å; C169-W177 HydrophobicContact CB-CG 4.18Å
170C92.6Very high86Confident11 Ų1135.4 Ų35.47%0.07420%0.199CC..Iπ-helixtrans-83.9-25.5-166.8-69.20000114.8H166 E167 C184H166-C170 VanDerWaalsContact CD2-SG 3.6Å; H166-C170 PolarHBondContact NE2-SG 3.34Å; H166-C170 VanDerWaalsContact NE2-SG 3.44Å; H166-C170 WeakPolarHBondContact O-CB 3.41Å; H166-C170 PolarHBondContact O-N 3.43Å; E167-C170 PolarHBondContact O-N 2.79Å; C170-C184 WeakPolarHBondContact CA-SG 3.5Å; C170-C184 HydrophobicContact CB-CB 3.41Å; C170-C184 VanDerWaalsContact CB-CB 3.41Å; C170-C184 WeakPolarHBondContact CB-SG 3.49Å; C170-C184 WeakPolarHBondContact SG-CA 3.42Å; C170-C184 WeakPolarHBondContact SG-CB 3.08Å; C170-C184 CovalentContact SG-SG 2.03Å; C170-C184 PolarHBondContact SG-SG 2.9Å
171N92.7Very high86.6Confident0 Ų032.6 Ų32.60%019%0.191CC..Iπ-helixtrans-88.5-23.7177-57.8-17000111.9E167 T187 K191 G192 Y193 I203E167-N171 WeakPolarHBondContact O-CB 3.44Å; E167-N171 PolarHBondContact O-N 3.45Å; N171-T187 VanDerWaalsContact CG-OG1 3.3Å; N171-T187 PolarHBondContact ND2-OG1 3.01Å; N171-T187 PolarHBondContact OD1-N 2.83Å; N171-T187 PolarHBondContact OD1-OG1 2.79Å; N171-K191 CarbonylContact O-C 3.59Å; N171-K191 WeakPolarHBondContact O-CA 2.98Å; N171-K191 WeakPolarHBondContact O-CG 3.39Å; N171-G192 PolarHBondContact O-N 2.88Å; N171-Y193 PolarHBondContact ND2-O 2.99Å; N171-I203 HydrophobicContact CB-CD1 3.84Å
172A92.6Very high87.1Confident11 Ų1134.6 Ų34.69%0.09119%0.191CC..Iπ-helixtrans-121.5-60-174.900000114.8I168 I203 E205I168-A172 WeakPolarHBondContact O-CB 3.25Å; I168-A172 PolarHBondContact O-N 2.94Å; A172-I203 HydrophobicContact CB-CD1 3.98Å; A172-I203 HydrophobicContact CB-CG2 4.26Å; A172-E205 HydrophobicContact CB-CG 3.69Å; A172-E205 VanDerWaalsContact CB-OE1 3.22Å; A172-E205 WeakPolarHBondContact CB-OE1 3.25Å
173L92.6Very high87.3Confident14 Ų1439.3 Ų39.37%0.07322%0.215CC..Iπ-helixtrans-104-39.5-156.6-65170.9000116.1M150 L164 I168 C169 E205 V208 V211 Y224 L239M150-L173 HydrophobicContact CE-CD1 4.03Å; M150-L173 HydrophobicContact SD-CB 3.85Å; M150-L173 HydrophobicContact SD-CD1 3.98Å; M150-L173 HydrophobicContact SD-CG 4.48Å; L164-L173 HydrophobicContact CD1-CD1 3.89Å; I168-L173 HydrophobicContact CG2-CD1 4.05Å; I168-L173 PolarHBondContact O-N 3.27Å; C169-L173 PolarHBondContact O-N 2.9Å; C169-L173 VanDerWaalsContact O-N 3.17Å; L173-E205 HydrophobicContact CD2-CB 4.14Å; L173-E205 HydrophobicContact CD2-CG 4.01Å; L173-E205 HydrophobicContact CG-CG 4.34Å; L173-V208 HydrophobicContact CD1-CB 4.04Å; L173-V208 HydrophobicContact CD1-CG1 3.61Å; L173-V208 HydrophobicContact CD1-CG2 4.21Å; L173-V211 HydrophobicContact CD1-CG2 4.09Å; L173-V211 HydrophobicContact CD2-CG2 3.81Å; L173-Y224 HydrophobicContact CD2-CE1 3.81Å; L173-L239 HydrophobicContact CB-CD1 4.32Å; L173-L239 HydrophobicContact CD2-CD1 4.34Å
174G91.1Very high87.6Confident13 Ų1336.7 Ų36.713%0.13420%0.199CC..  trans-112-177.4-171.700000114.4Y138 C169Y138-G174 CarbonylContact O-C 3.21Å; Y138-G174 WeakPolarHBondContact O-CA 3.07Å; C169-G174 WeakPolarHBondContact O-CA 3.32Å; C169-G174 PolarHBondContact O-N 3.01Å
175I91Very high87.2Confident70 Ų7043.4 Ų43.436%0.35923%0.23SC..SBendtrans-126.4-5.617470.4173.6000112.9Y138 L141 C184Y138-I175 PolarHBondContact O-N 2.54Å; L141-I175 HydrophobicContact CB-CD1 4.12Å; L141-I175 HydrophobicContact CD1-CD1 3.87Å; L141-I175 HydrophobicContact CD1-CG1 4.35Å; L141-I175 HydrophobicContact CG-CD1 3.74Å; L141-I175 HydrophobicContact CG-CG1 4.21Å; I175-C184 WeakPolarHBondContact O-CB 3.29Å; I175-C184 PolarHBondContact O-N 3.23Å
176A90.6Very high86.1Confident0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-154153.3171.800000110.8Y138 C169 C181 Q182 C184Y138-A176 PolarHBondContact N-O 2.93Å; Y138-A176 PolarHBondContact O-N 2.56Å; C169-A176 PolarHBondContact SG-O 3.45Å; C169-A176 VanDerWaalsContact SG-O 3.4Å; A176-C181 WeakPolarHBondContact CB-SG 3.31Å; A176-Q182 CarbonylContact C-O 3.53Å; A176-Q182 WeakPolarHBondContact CA-O 3.39Å; A176-Q182 VanDerWaalsContact CB-O 3.28Å; A176-Q182 WeakPolarHBondContact CB-O 3.5Å; A176-C184 VanDerWaalsContact CA-SG 3.55Å; A176-C184 PolarHBondContact N-SG 3.1Å; A176-C184 VanDerWaalsContact N-SG 3.37Å
177W92.1Very high85.4Confident21 Ų2148.9 Ų48.98%0.0826%0.259CS..EExtended strand (participates in β ladder)trans-141.2149.5-172.6-178.484.2000113.4T122 L133 A136 L164 T165 H166 C169 Q182T122-W177 HydrophobicContact CG2-CE3 3.99Å; T122-W177 HydrophobicContact CG2-CZ3 3.9Å; L133-W177 HydrophobicContact CB-CH2 4.08Å; L133-W177 HydrophobicContact CB-CZ2 4.49Å; L133-W177 WeakPolarHBondContact O-CZ2 3.2Å; A136-W177 CarbonylContact O-C 3.49Å; A136-W177 WeakPolarHBondContact O-CA 3.36Å; L164-W177 PolarHBondContact O-NE1 2.84Å; T165-W177 PolarHBondContact O-NE1 3.1Å; H166-W177 HydrophobicContact CB-CD2 3.86Å; H166-W177 HydrophobicContact CB-CE3 4.02Å; H166-W177 HydrophobicContact CB-CG 4.39Å; H166-W177 HydrophobicContact CB-CH2 4.31Å; H166-W177 HydrophobicContact CB-CZ2 4.16Å; H166-W177 HydrophobicContact CB-CZ3 4.24Å; H166-W177 AromaticContact CD2-CD2 3.8Å; H166-W177 AromaticContact CD2-CE3 3.6Å; C169-W177 HydrophobicContact CB-CB 4.31Å; C169-W177 VanDerWaalsContact CB-CD1 3.47Å; C169-W177 HydrophobicContact CB-CG 4.18Å; W177-Q182 PolarHBondContact N-O 3.34Å; W177-Q182 PolarHBondContact O-N 3.47Å
178G80.7Confident84.8Confident3 Ų355.9 Ų55.93%0.03129%0.291CS..THydrogen-bonded Turntrans82.9-174.6164.900000115.7A136 P180 C181A136-G178 PolarHBondContact O-N 2.71Å; G178-P180 CarbonylContact O-C 3.44Å; G178-C181 WeakPolarHBondContact O-CA 3.35Å; G178-C181 PolarHBondContact O-N 3.13Å
179E69.4Low84.4Confident186 Ų18654.5 Ų54.587%0.86928%0.284SS*.THydrogen-bonded Turntrans-133.1118.3172.1-169.4171.5-177.600109.6
180P71.3Confident84.1Confident81 Ų8158.6 Ų58.653%0.52631%0.313SS..THydrogen-bonded Turncis-62.9141.9-3.629.7-36.3000111.6G178 Q182G178-P180 CarbonylContact O-C 3.44Å; P180-Q182 PolarHBondContact O-N 3.27Å
181C78.2Confident84Confident43 Ų4365 Ų6529%0.29134%0.34SS..THydrogen-bonded Turntrans-63120.8-178-177.90000111.7Y138 C146 A176 G178Y138-C181 HydrophobicContact CD2-CB 4.39Å; Y138-C181 WeakPolarHBondContact CD2-SG 3.39Å; Y138-C181 HydrophobicContact CE2-CB 3.91Å; Y138-C181 VanDerWaalsContact CE2-SG 3.52Å; C146-C181 HydrophobicContact CB-CB 3.84Å; C146-C181 WeakPolarHBondContact CB-SG 3.16Å; C146-C181 WeakPolarHBondContact SG-CB 3.22Å; C146-C181 CovalentContact SG-SG 2.03Å; C146-C181 PolarHBondContact SG-SG 2.92Å; A176-C181 WeakPolarHBondContact CB-SG 3.31Å; G178-C181 WeakPolarHBondContact O-CA 3.35Å; G178-C181 PolarHBondContact O-N 3.13Å
182Q81.7Confident84Confident92 Ų9265.1 Ų65.143%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-107.3134.3177.1-62.2-177.210.200109.6T122 A176 W177 P180 C184T122-Q182 PolarHBondContact OG1-OE1 2.64Å; T122-Q182 VanDerWaalsContact OG1-OE1 3.14Å; A176-Q182 CarbonylContact C-O 3.53Å; A176-Q182 WeakPolarHBondContact CA-O 3.39Å; A176-Q182 VanDerWaalsContact CB-O 3.28Å; A176-Q182 WeakPolarHBondContact CB-O 3.5Å; W177-Q182 PolarHBondContact N-O 3.34Å; W177-Q182 PolarHBondContact O-N 3.47Å; P180-Q182 PolarHBondContact O-N 3.27Å; Q182-C184 PolarHBondContact O-N 3.01Å
183I86.2Confident84.1Confident110 Ų11067.4 Ų67.456%0.56435%0.347SS*.EExtended strand (participates in β ladder)trans-63129.4172.7-57.6179.5000108L141 Q185L141-I183 HydrophobicContact CD1-CD1 3.97Å; L141-I183 HydrophobicContact CD1-CG1 4.07Å; L141-I183 HydrophobicContact CD1-CG2 4.49Å; I183-Q185 PolarHBondContact O-N 3.36Å
184C89.8Confident84Confident28 Ų2868.2 Ų68.219%0.18935%0.35CS..  trans-58128.7-176.3-77.40000111.6C170 I175 A176 Q182C170-C184 WeakPolarHBondContact CA-SG 3.5Å; C170-C184 HydrophobicContact CB-CB 3.41Å; C170-C184 VanDerWaalsContact CB-CB 3.41Å; C170-C184 WeakPolarHBondContact CB-SG 3.49Å; C170-C184 WeakPolarHBondContact SG-CA 3.42Å; C170-C184 WeakPolarHBondContact SG-CB 3.08Å; C170-C184 CovalentContact SG-SG 2.03Å; C170-C184 PolarHBondContact SG-SG 2.9Å; I175-C184 WeakPolarHBondContact O-CB 3.29Å; I175-C184 PolarHBondContact O-N 3.23Å; A176-C184 VanDerWaalsContact CA-SG 3.55Å; A176-C184 PolarHBondContact N-SG 3.1Å; A176-C184 VanDerWaalsContact N-SG 3.37Å; Q182-C184 PolarHBondContact O-N 3.01Å
185Q81.7Confident83.7Confident155 Ų15568.2 Ų68.272%0.72435%0.347SS*.  trans-106.5135.4164.4-61.1-177.410.500106.6I183 T187I183-Q185 PolarHBondContact O-N 3.36Å; Q185-T187 PolarHBondContact O-N 3.41Å
186I68.9Low83.5Confident119 Ų11967.5 Ų67.561%0.6134%0.343SS*.  trans-62.3132.6178.6-56.8175000107.6C189I186-C189 WeakPolarHBondContact CG2-O 3.45Å
187T73.9Confident83.1Confident34 Ų3474.1 Ų74.121%0.20938%0.379CS..  trans-78.5-165.8-177.262.30000111.5E167 N171 Q185 C189E167-T187 HydrophobicContact CG-CG2 4.13Å; N171-T187 VanDerWaalsContact CG-OG1 3.3Å; N171-T187 PolarHBondContact ND2-OG1 3.01Å; N171-T187 PolarHBondContact OD1-N 2.83Å; N171-T187 PolarHBondContact OD1-OG1 2.79Å; Q185-T187 PolarHBondContact O-N 3.41Å; T187-C189 PolarHBondContact O-N 3.18Å
188H78.9Confident82.5Confident152 Ų15275.4 Ų75.470%0.70440%0.399SS*.SBendtrans-59.1-34.7177.3-174.475.7000112.6
189C83.8Confident82.8Confident2 Ų280.3 Ų80.31%0.01442%0.423CS..SBendtrans-85.4146.6175.8-64.30000112.2I186 T187 C200I186-C189 WeakPolarHBondContact CG2-O 3.45Å; T187-C189 PolarHBondContact O-N 3.18Å; C189-C200 WeakPolarHBondContact CA-SG 3.43Å; C189-C200 HydrophobicContact CB-CB 3.87Å; C189-C200 WeakPolarHBondContact CB-SG 3.31Å; C189-C200 WeakPolarHBondContact SG-CA 2.99Å; C189-C200 WeakPolarHBondContact SG-CB 3.28Å; C189-C200 CovalentContact SG-SG 2.04Å; C189-C200 PolarHBondContact SG-SG 3.36Å
190S86.5Confident83.8Confident86 Ų8674 Ų7460%0.60140%0.399SS*.PPolyproline II helixtrans-58.7161.3173.4-69.30000112.4G192 Y193S190-G192 PolarHBondContact O-N 2.03Å; S190-Y193 PolarHBondContact O-N 3.37Å; S190-Y193 VanDerWaalsContact O-N 3.09Å
191K90.8Very high84.9Confident146 Ų14673.6 Ų73.664%0.63539%0.389SS*.THydrogen-bonded Turntrans-51.3131.6172.2-162.8-175.2176.9170.40110.9N171 Y193N171-K191 CarbonylContact O-C 3.59Å; N171-K191 WeakPolarHBondContact O-CA 2.98Å; N171-K191 WeakPolarHBondContact O-CG 3.39Å; K191-Y193 WeakPolarHBondContact O-CD2 3.41Å
192G92.4Very high85.7Confident1 Ų174 Ų741%0.0139%0.388CS..THydrogen-bonded Turntrans91.5-3.1-17600000115.5N171 S190 I203 G222N171-G192 PolarHBondContact O-N 2.88Å; S190-G192 PolarHBondContact O-N 2.03Å; G192-I203 PolarHBondContact O-N 3.04Å; G192-G222 WeakPolarHBondContact CA-O 3.45Å
193Y93.8Very high86.3Confident59 Ų5969.8 Ų69.823%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-127.2147.4-175.2-60.6-100.8000111.9N171 S190 K191 K201 I203N171-Y193 PolarHBondContact ND2-O 2.99Å; S190-Y193 PolarHBondContact O-N 3.37Å; S190-Y193 VanDerWaalsContact O-N 3.09Å; K191-Y193 WeakPolarHBondContact O-CD2 3.41Å; Y193-K201 CarbonylContact C-O 3.44Å; Y193-K201 WeakPolarHBondContact CA-O 2.96Å; Y193-K201 WeakPolarHBondContact CB-O 3.47Å; Y193-I203 VanDerWaalsContact C-CD1 3.48Å
194E90.2Very high86.8Confident32 Ų3266.9 Ų66.915%0.1535%0.354CS..EExtended strand (participates in β ladder)trans-121.1157.6171.767.5167.7173.100111.7K132 E167 I196 C200 K201 I203K132-E194 IonicContact NZ-OE2 3.33Å; E167-E194 HydrophobicContact CB-CB 4.09Å; E194-I196 HydrophobicContact CG-CD1 4.02Å; E194-I196 HydrophobicContact CG-CG1 3.89Å; E194-I196 WeakPolarHBondContact OE1-CD1 3.42Å; E194-C200 WeakPolarHBondContact O-CA 3.47Å; E194-K201 PolarHBondContact N-O 3.33Å; E194-K201 PolarHBondContact O-N 2.79Å; E194-I203 HydrophobicContact CB-CD1 4.05Å; E194-I203 HydrophobicContact CB-CG1 3.76Å; E194-I203 HydrophobicContact CG-CG1 3.83Å
195Q85.8Confident87Confident12 Ų1265.8 Ų65.86%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-87.3117.5-179.3-162.1175.512.700109.6E109 H110 K132 E167E109-Q195 PolarHBondContact OE2-NE2 3.35Å; H110-Q195 PolarHBondContact CE1-OE1 3.03Å; K132-Q195 PolarHBondContact NZ-O 3.05Å; E167-Q195 PolarHBondContact OE2-N 3.09Å
196I86Confident87.6Confident55 Ų5560.5 Ų60.528%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-130.4118.9175.8-44.1-173.3000107.9E194 G198 I199 K201E194-I196 HydrophobicContact CG-CD1 4.02Å; E194-I196 HydrophobicContact CG-CG1 3.89Å; E194-I196 WeakPolarHBondContact OE1-CD1 3.42Å; I196-G198 VanDerWaalsContact C-N 3.27Å; I196-G198 PolarHBondContact O-N 3.44Å; I196-I199 PolarHBondContact N-O 3.13Å; I196-I199 PolarHBondContact O-N 3.36Å; I196-I199 VanDerWaalsContact O-O 3.1Å; I196-K201 HydrophobicContact CB-CD 3.93Å; I196-K201 HydrophobicContact CB-CG 4.46Å; I196-K201 HydrophobicContact CD1-CB 4.31Å; I196-K201 HydrophobicContact CD1-CD 4.19Å; I196-K201 HydrophobicContact CG1-CB 4.48Å; I196-K201 HydrophobicContact CG1-CD 4.36Å; I196-K201 WeakPolarHBondContact O-CE 3.2Å
197D82.7Confident88.7Confident139 Ų13962.3 Ų62.374%0.74333%0.332SS*.THydrogen-bonded Turntrans57.136.8-177-39.1-55.7000113.4I199 K201D197-I199 PolarHBondContact O-N 2.78Å; D197-K201 IonicContact OD2-NZ 3.49Å; D197-K201 PolarHBondContact OD2-NZ 2.92Å
198G79.4Confident89.6Confident49 Ų4961.7 Ų61.751%0.50533%0.328SS..THydrogen-bonded Turntrans76.5-3.5-175.800000114.9I196I196-G198 VanDerWaalsContact C-N 3.27Å; I196-G198 PolarHBondContact O-N 3.44Å
199I87.6Confident90Very high105 Ų10559.9 Ų59.954%0.53832%0.323SS..EExtended strand (participates in β ladder)trans-106.4131.1-178-58.9169.8000109.2I196 D197 K201I196-I199 PolarHBondContact N-O 3.13Å; I196-I199 PolarHBondContact O-N 3.36Å; I196-I199 VanDerWaalsContact O-O 3.1Å; D197-I199 PolarHBondContact O-N 2.78Å; I199-K201 HydrophobicContact CG2-CG 4.17Å; I199-K201 PolarHBondContact O-N 3.26Å
200C90.8Very high90Very high53 Ų5360.4 Ų60.436%0.35833%0.329SS..EExtended strand (participates in β ladder)trans-70.3112.6168.9-63.80000109.6C189 E194C189-C200 WeakPolarHBondContact CA-SG 3.43Å; C189-C200 HydrophobicContact CB-CB 3.87Å; C189-C200 WeakPolarHBondContact CB-SG 3.31Å; C189-C200 WeakPolarHBondContact SG-CA 2.99Å; C189-C200 WeakPolarHBondContact SG-CB 3.28Å; C189-C200 CovalentContact SG-SG 2.04Å; C189-C200 PolarHBondContact SG-SG 3.36Å; E194-C200 WeakPolarHBondContact O-CA 3.47Å
201K94Very high90.2Very high74 Ų7457.1 Ų57.132%0.32231%0.305SS..EExtended strand (participates in β ladder)trans-111.3152176-60.6-179.1-159.8156.50109.3Y193 E194 I196 D197 I199Y193-K201 CarbonylContact C-O 3.44Å; Y193-K201 WeakPolarHBondContact CA-O 2.96Å; Y193-K201 WeakPolarHBondContact CB-O 3.47Å; E194-K201 PolarHBondContact N-O 3.33Å; E194-K201 PolarHBondContact O-N 2.79Å; I196-K201 HydrophobicContact CB-CD 3.93Å; I196-K201 HydrophobicContact CB-CG 4.46Å; I196-K201 HydrophobicContact CD1-CB 4.31Å; I196-K201 HydrophobicContact CD1-CD 4.19Å; I196-K201 HydrophobicContact CG1-CB 4.48Å; I196-K201 HydrophobicContact CG1-CD 4.36Å; I196-K201 WeakPolarHBondContact O-CE 3.2Å; D197-K201 IonicContact OD2-NZ 3.49Å; D197-K201 PolarHBondContact OD2-NZ 2.92Å; I199-K201 HydrophobicContact CG2-CG 4.17Å; I199-K201 PolarHBondContact O-N 3.26Å
202D95.4Very high90.2Very high51 Ų5150.4 Ų50.427%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-57.4133177.1-176.857.4000111.2N204 N219 G222D202-N204 PolarHBondContact O-N 3.24Å; D202-N219 PolarHBondContact OD2-ND2 2.71Å; D202-G222 WeakPolarHBondContact OD1-CA 3.49Å; D202-G222 PolarHBondContact OD1-N 2.81Å
203I94.5Very high89.9Confident4 Ų453.5 Ų53.52%0.02129%0.291CS..  trans-84.2109.2173.3-61.8164.5000107.1I168 N171 A172 G192 Y193 E194 E205I168-I203 HydrophobicContact CG1-CG2 4.27Å; I168-I203 HydrophobicContact CG2-CG2 4.35Å; N171-I203 HydrophobicContact CB-CD1 3.84Å; A172-I203 HydrophobicContact CB-CD1 3.98Å; A172-I203 HydrophobicContact CB-CG2 4.26Å; G192-I203 PolarHBondContact O-N 3.04Å; Y193-I203 VanDerWaalsContact C-CD1 3.48Å; E194-I203 HydrophobicContact CB-CD1 4.05Å; E194-I203 HydrophobicContact CB-CG1 3.76Å; E194-I203 HydrophobicContact CG-CG1 3.83Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 HydrophobicContact CG2-CG 4.08Å; I203-E205 PolarHBondContact O-N 2.97Å
204N95.1Very high89.5Confident48 Ų4855.2 Ų55.226%0.25730%0.297SS..  trans-71.888.8173-172.9-5.5000110.5D202 C206 E207 N219D202-N204 PolarHBondContact O-N 3.24Å; N204-C206 PolarHBondContact O-N 2.86Å; N204-C206 VanDerWaalsContact O-N 3.1Å; N204-C206 WeakPolarHBondContact OD1-CB 3.09Å; N204-C206 PolarHBondContact OD1-N 3.05Å; N204-C206 VanDerWaalsContact OD1-N 3.17Å; N204-E207 HydrophobicContact CB-CB 4.45Å; N204-E207 HydrophobicContact CB-CG 4.36Å; N204-E207 VanDerWaalsContact ND2-CD 3.3Å; N204-E207 WeakPolarHBondContact ND2-CG 3.4Å; N204-E207 PolarHBondContact ND2-OE1 3.48Å; N204-E207 PolarHBondContact O-N 3.19Å; N204-N219 WeakPolarHBondContact CA-OD1 3.48Å; N204-N219 WeakPolarHBondContact OD1-CB 3.01Å; N204-N219 VanDerWaalsContact OD1-CG 3.3Å; N204-N219 PolarHBondContact OD1-OD1 3.42Å
205E94.3Very high89.5Confident5 Ų555.2 Ų55.22%0.02331%0.305CS..G310 helixtrans-66.3-14.3-177.7-60.9110.5145.500113A172 L173 I203 E207 V208 S223 Y224A172-E205 HydrophobicContact CB-CG 3.69Å; A172-E205 VanDerWaalsContact CB-OE1 3.22Å; A172-E205 WeakPolarHBondContact CB-OE1 3.25Å; L173-E205 HydrophobicContact CD2-CB 4.14Å; L173-E205 HydrophobicContact CD2-CG 4.01Å; L173-E205 HydrophobicContact CG-CG 4.34Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 HydrophobicContact CG2-CG 4.08Å; I203-E205 PolarHBondContact O-N 2.97Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-V208 PolarHBondContact O-N 3.19Å; E205-S223 VanDerWaalsContact OE2-C 3.23Å; E205-Y224 HydrophobicContact CB-CD1 3.51Å; E205-Y224 HydrophobicContact CB-CD2 4.49Å; E205-Y224 HydrophobicContact CB-CE1 4.14Å; E205-Y224 HydrophobicContact CB-CG 3.71Å; E205-Y224 HydrophobicContact CG-CD1 3.61Å; E205-Y224 HydrophobicContact CG-CE1 4.09Å; E205-Y224 HydrophobicContact CG-CG 4.31Å; E205-Y224 WeakPolarHBondContact OE1-CD1 3.46Å; E205-Y224 WeakPolarHBondContact OE2-CB 3.42Å; E205-Y224 VanDerWaalsContact OE2-CD1 3.28Å; E205-Y224 WeakPolarHBondContact OE2-CD1 3.01Å; E205-Y224 PolarHBondContact OE2-N 3.23Å
206C94.5Very high89.9Confident44 Ų4460.9 Ų60.930%0.29733%0.332SS..G310 helixtrans-77.1-13.4172.6-57.50000114N204 C217 I218 N219N204-C206 PolarHBondContact O-N 2.86Å; N204-C206 VanDerWaalsContact O-N 3.1Å; N204-C206 WeakPolarHBondContact OD1-CB 3.09Å; N204-C206 PolarHBondContact OD1-N 3.05Å; N204-C206 VanDerWaalsContact OD1-N 3.17Å; C206-C217 WeakPolarHBondContact CA-SG 3.47Å; C206-C217 HydrophobicContact CB-CB 3.61Å; C206-C217 WeakPolarHBondContact CB-SG 2.99Å; C206-C217 WeakPolarHBondContact SG-CB 3.3Å; C206-C217 CovalentContact SG-SG 2.03Å; C206-C217 PolarHBondContact SG-SG 3.23Å; C206-I218 PolarHBondContact SG-N 3.37Å; C206-I218 VanDerWaalsContact SG-N 3.38Å; C206-N219 PolarHBondContact SG-N 3.26Å; C206-N219 VanDerWaalsContact SG-N 3.37Å
207E93.4Very high90.4Very high158 Ų15859.8 Ų59.874%0.73833%0.329SS*.G310 helixtrans-89.1-6.2168.3-74173.1-149.900112.2N204 E205N204-E207 HydrophobicContact CB-CB 4.45Å; N204-E207 HydrophobicContact CB-CG 4.36Å; N204-E207 VanDerWaalsContact ND2-CD 3.3Å; N204-E207 WeakPolarHBondContact ND2-CG 3.4Å; N204-E207 PolarHBondContact ND2-OE1 3.48Å; N204-E207 PolarHBondContact O-N 3.19Å; E205-E207 VanDerWaalsContact C-N 3.3Å
208V90.9Very high91Very high20 Ų2056.1 Ų56.112%0.12131%0.308CS..SBendtrans-87.8124.2176.8-175.10000110.4L164 I168 L173 E205 V211L164-V208 HydrophobicContact CD1-CG1 4.03Å; L164-V208 HydrophobicContact CD2-CG1 3.51Å; L164-V208 HydrophobicContact CG-CG1 4.45Å; I168-V208 HydrophobicContact CG2-CG1 4.44Å; I168-V208 HydrophobicContact CG2-CG2 3.78Å; L173-V208 HydrophobicContact CD1-CB 4.04Å; L173-V208 HydrophobicContact CD1-CG1 3.61Å; L173-V208 HydrophobicContact CD1-CG2 4.21Å; E205-V208 PolarHBondContact O-N 3.19Å; V208-V211 HydrophobicContact CB-CG2 4.12Å; V208-V211 HydrophobicContact CG1-CG2 4.33Å; V208-V211 WeakPolarHBondContact O-CG2 3.46Å; V208-V211 PolarHBondContact O-N 3.46Å
209D87.4Confident91.8Very high115 Ų11556.3 Ų56.362%0.61530%0.298SS*.THydrogen-bonded Turntrans-53.7148.4177.3-80.2-49000112.6I162 V211I162-D209 VanDerWaalsContact CD1-C 3.46Å; I162-D209 HydrophobicContact CD1-CB 4.05Å; I162-D209 WeakPolarHBondContact CD1-O 3.07Å; I162-D209 HydrophobicContact CG2-CB 4.12Å; D209-V211 PolarHBondContact O-N 3.25Å
210G84.2Confident92.1Very high13 Ų1355.4 Ų55.413%0.13429%0.292CS..THydrogen-bonded Turntrans76.1-3.2175.500000115.7Q213G210-Q213 WeakPolarHBondContact O-CG 3.45Å; G210-Q213 PolarHBondContact O-NE2 3.02Å
211V91.1Very high92.2Very high17 Ų1760.8 Ų60.810%0.10331%0.311CS..THydrogen-bonded Turntrans-80.9135.7172.9-179.10000110.4M150 L173 V208 D209 Q213 Y224M150-V211 HydrophobicContact CE-CG2 4.16Å; L173-V211 HydrophobicContact CD1-CG2 4.09Å; L173-V211 HydrophobicContact CD2-CG2 3.81Å; V208-V211 HydrophobicContact CB-CG2 4.12Å; V208-V211 HydrophobicContact CG1-CG2 4.33Å; V208-V211 WeakPolarHBondContact O-CG2 3.46Å; V208-V211 PolarHBondContact O-N 3.46Å; D209-V211 PolarHBondContact O-N 3.25Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.4Å; V211-Y224 HydrophobicContact CG1-CD2 3.7Å; V211-Y224 HydrophobicContact CG1-CE2 3.56Å
212C91.5Very high92.1Very high4 Ų458.1 Ų58.13%0.02731%0.305CS..THydrogen-bonded Turntrans54.731179.3-510000116R214 G215 C217 C226 L239C212-R214 VanDerWaalsContact C-N 3.26Å; C212-R214 PolarHBondContact O-N 2.94Å; C212-G215 CarbonylContact O-C 3.57Å; C212-G215 PolarHBondContact O-N 3.37Å; C212-C217 HydrophobicContact CB-CB 3.96Å; C212-C217 VanDerWaalsContact SG-CB 3.5Å; C212-C226 VanDerWaalsContact CA-SG 3.55Å; C212-C226 HydrophobicContact CB-CB 3.79Å; C212-C226 WeakPolarHBondContact CB-SG 3.47Å; C212-C226 WeakPolarHBondContact SG-CA 3.24Å; C212-C226 WeakPolarHBondContact SG-CB 3.43Å; C212-C226 CovalentContact SG-SG 2.02Å; C212-C226 PolarHBondContact SG-SG 3.44Å; C212-L239 PolarHBondContact N-O 3.47Å
213Q84.8Confident92Very high66 Ų6658.2 Ų58.231%0.30831%0.31SS..THydrogen-bonded Turntrans-47.1-36.1-166.8-54.1-178.820.100116.5Q151 G210 V211Q151-Q213 PolarHBondContact O-NE2 3.06Å; G210-Q213 WeakPolarHBondContact O-CG 3.45Å; G210-Q213 PolarHBondContact O-NE2 3.02Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.4Å
214R87Confident92Very high96 Ų9660 Ų6036%0.36232%0.316SS..THydrogen-bonded Turntrans-106.527.1175.2-67.8-170.2-61.7-72.8-12.4115C212 P229 D240 C241C212-R214 VanDerWaalsContact C-N 3.26Å; C212-R214 PolarHBondContact O-N 2.94Å; R214-P229 WeakPolarHBondContact O-CD 3.28Å; R214-P229 WeakPolarHBondContact O-CG 3.38Å; R214-D240 IonicContact CZ-OD1 3.74Å; R214-D240 IonicContact CZ-OD2 2.86Å; R214-D240 PolarHBondContact N-OD1 3.14Å; R214-D240 IonicContact NH1-OD1 2.71Å; R214-D240 IonicContact NH1-OD2 3.25Å; R214-D240 PolarHBondContact NH1-OD2 2.77Å; R214-D240 IonicContact NH2-OD1 3.14Å; R214-D240 PolarHBondContact NH2-OD1 3.04Å; R214-D240 IonicContact NH2-OD2 2.71Å; R214-D240 PolarHBondContact NH2-OD2 3.3Å; R214-C241 HydrophobicContact CB-CB 4.08Å; R214-C241 VanDerWaalsContact CZ-O 3.31Å; R214-C241 PolarHBondContact NE-O 3.26Å; R214-C241 PolarHBondContact NH2-O 3.5Å
215G90.1Very high91.9Very high32 Ų3262.6 Ų62.633%0.3333%0.325SS..SBendtrans-147.1-173.3177.200000112.7C212 N227C212-G215 CarbonylContact O-C 3.57Å; C212-G215 PolarHBondContact O-N 3.37Å; G215-N227 WeakPolarHBondContact CA-O 3.42Å
216Q94.2Very high91.9Very high130 Ų13063 Ų6361%0.60733%0.329SS*.EExtended strand (participates in β ladder)trans-101.1118.4174-180-179.310.700109.2N227Q216-N227 HydrophobicContact CB-CB 4.26Å; Q216-N227 PolarHBondContact N-O 3.42Å; Q216-N227 PolarHBondContact O-N 3.27Å
217C95.1Very high91.9Very high32 Ų3264.1 Ų64.122%0.21633%0.332CS..EExtended strand (participates in β ladder)trans-75.9142.2172.6-164.40000110.9C206 C212C206-C217 WeakPolarHBondContact CA-SG 3.47Å; C206-C217 HydrophobicContact CB-CB 3.61Å; C206-C217 WeakPolarHBondContact CB-SG 2.99Å; C206-C217 WeakPolarHBondContact SG-CB 3.3Å; C206-C217 CovalentContact SG-SG 2.03Å; C206-C217 PolarHBondContact SG-SG 3.23Å; C212-C217 HydrophobicContact CB-CB 3.96Å; C212-C217 VanDerWaalsContact SG-CB 3.5Å
218I96.1Very high91.9Very high62 Ų6258.4 Ų58.432%0.31831%0.308SS..EExtended strand (participates in β ladder)trans-129.8125.1170.4-61.3179.5000107.1C206 E220 Y224 K225 N227C206-I218 PolarHBondContact SG-N 3.37Å; C206-I218 VanDerWaalsContact SG-N 3.38Å; I218-E220 HydrophobicContact CG2-CG 4.47Å; I218-Y224 WeakPolarHBondContact O-CA 3.38Å; I218-K225 PolarHBondContact N-O 3.49Å; I218-K225 PolarHBondContact O-N 2.85Å; I218-N227 WeakPolarHBondContact CD1-ND2 3.45Å
219N95.3Very high91.8Very high54 Ų5460.7 Ų60.729%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-80.8134.1173.6-160.557.5000110D202 N204 C206D202-N219 PolarHBondContact OD2-ND2 2.71Å; N204-N219 WeakPolarHBondContact CA-OD1 3.48Å; N204-N219 WeakPolarHBondContact OD1-CB 3.01Å; N204-N219 VanDerWaalsContact OD1-CG 3.3Å; N204-N219 PolarHBondContact OD1-OD1 3.42Å; C206-N219 PolarHBondContact SG-N 3.26Å; C206-N219 VanDerWaalsContact SG-N 3.37Å
220E94.9Very high91.6Very high86 Ų8663.8 Ų63.840%0.40234%0.335SS..EExtended strand (participates in β ladder)trans-124.7156.4174.5-58.6-177.616500107.3I218 G222 S223 K225I218-E220 HydrophobicContact CG2-CG 4.47Å; E220-G222 PolarHBondContact O-N 2.92Å; E220-S223 CarbonylContact C-O 3.39Å; E220-S223 WeakPolarHBondContact CA-O 3.37Å; E220-S223 VanDerWaalsContact CB-O 3.31Å; E220-S223 WeakPolarHBondContact CB-O 3.19Å; E220-S223 PolarHBondContact N-O 3.23Å; E220-S223 CarbonylContact O-C 3.34Å; E220-S223 PolarHBondContact O-N 3.32Å; E220-S223 VanDerWaalsContact O-N 3.11Å; E220-K225 WeakPolarHBondContact OE1-CD 3.01Å
221E93.4Very high91.2Very high165 Ų16566.8 Ų66.877%0.77135%0.348SS*.THydrogen-bonded Turntrans-69.2115-175.1-164.4179.8166.900111
222G91.5Very high90.9Very high19 Ų1967.2 Ų67.220%0.19635%0.351CS..THydrogen-bonded Turntrans79.610.9-174.700000115.5G192 D202 E220G192-G222 WeakPolarHBondContact CA-O 3.45Å; D202-G222 WeakPolarHBondContact OD1-CA 3.49Å; D202-G222 PolarHBondContact OD1-N 2.81Å; E220-G222 PolarHBondContact O-N 2.92Å
223S92.9Very high90.7Very high52 Ų5271.5 Ų71.536%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-171.8171176.461.40000114E205 E220E205-S223 VanDerWaalsContact OE2-C 3.23Å; E220-S223 CarbonylContact C-O 3.39Å; E220-S223 WeakPolarHBondContact CA-O 3.37Å; E220-S223 VanDerWaalsContact CB-O 3.31Å; E220-S223 WeakPolarHBondContact CB-O 3.19Å; E220-S223 PolarHBondContact N-O 3.23Å; E220-S223 CarbonylContact O-C 3.34Å; E220-S223 PolarHBondContact O-N 3.32Å; E220-S223 VanDerWaalsContact O-N 3.11Å
224Y94.4Very high90.9Very high42 Ų4271 Ų7117%0.16537%0.367CS..EExtended strand (participates in β ladder)trans-126.1163.1175.866.6-71.2000112.9L173 E205 V211 I218 F234 L239L173-Y224 HydrophobicContact CD2-CE1 3.81Å; E205-Y224 HydrophobicContact CB-CD1 3.51Å; E205-Y224 HydrophobicContact CB-CD2 4.49Å; E205-Y224 HydrophobicContact CB-CE1 4.14Å; E205-Y224 HydrophobicContact CB-CG 3.71Å; E205-Y224 HydrophobicContact CG-CD1 3.61Å; E205-Y224 HydrophobicContact CG-CE1 4.09Å; E205-Y224 HydrophobicContact CG-CG 4.31Å; E205-Y224 WeakPolarHBondContact OE1-CD1 3.46Å; E205-Y224 WeakPolarHBondContact OE2-CB 3.42Å; E205-Y224 VanDerWaalsContact OE2-CD1 3.28Å; E205-Y224 WeakPolarHBondContact OE2-CD1 3.01Å; E205-Y224 PolarHBondContact OE2-N 3.23Å; V211-Y224 HydrophobicContact CG1-CD2 3.7Å; V211-Y224 HydrophobicContact CG1-CE2 3.56Å; I218-Y224 WeakPolarHBondContact O-CA 3.38Å; Y224-F234 HydrophobicContact CE2-CE1 4.16Å; Y224-F234 HydrophobicContact CE2-CE2 4.43Å; Y224-F234 AromaticContact CE2-CZ 3.66Å; Y224-F234 HydrophobicContact CE2-CZ 3.66Å; Y224-L239 WeakPolarHBondContact OH-CD2 3.42Å
225K94Very high90.9Very high103 Ų10368.8 Ų68.845%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-134.8122.7179.1-179178.3174.8-177.70111.6I218 E220I218-K225 PolarHBondContact N-O 3.49Å; I218-K225 PolarHBondContact O-N 2.85Å; E220-K225 WeakPolarHBondContact OE1-CD 3.01Å
226C94.3Very high90.6Very high13 Ų1374.8 Ų74.89%0.08838%0.379CS..EExtended strand (participates in β ladder)trans-86.6112.6169.3-52.80000111.1C212 C228 F234C212-C226 VanDerWaalsContact CA-SG 3.55Å; C212-C226 HydrophobicContact CB-CB 3.79Å; C212-C226 WeakPolarHBondContact CB-SG 3.47Å; C212-C226 WeakPolarHBondContact SG-CA 3.24Å; C212-C226 WeakPolarHBondContact SG-CB 3.43Å; C212-C226 CovalentContact SG-SG 2.02Å; C212-C226 PolarHBondContact SG-SG 3.44Å; C226-C228 PolarHBondContact O-N 3.4Å; C226-F234 HydrophobicContact CB-CB 4.2Å; C226-F234 HydrophobicContact CB-CD2 3.68Å; C226-F234 HydrophobicContact CB-CE2 4.18Å; C226-F234 HydrophobicContact CB-CG 3.94Å; C226-F234 WeakPolarHBondContact SG-CD2 3.36Å; C226-F234 WeakPolarHBondContact SG-CE2 3.46Å
227N94.7Very high89.9Confident68 Ų6871.4 Ų71.436%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-77.599.9163.7-80.1-5.9000109G215 Q216 I218G215-N227 WeakPolarHBondContact CA-O 3.42Å; Q216-N227 HydrophobicContact CB-CB 4.26Å; Q216-N227 PolarHBondContact N-O 3.42Å; Q216-N227 PolarHBondContact O-N 3.27Å; I218-N227 WeakPolarHBondContact CD1-ND2 3.45Å
228C92.5Very high89.3Confident37 Ų3772.9 Ų72.925%0.2538%0.376CS..PPolyproline II helixtrans-85.8143.9-179.3-63.60000112.5C226 T232 F234 C241C226-C228 PolarHBondContact O-N 3.4Å; C228-T232 WeakPolarHBondContact CB-OG1 3.11Å; C228-F234 PolarHBondContact SG-N 2.86Å; C228-C241 WeakPolarHBondContact CA-SG 3.39Å; C228-C241 HydrophobicContact CB-CB 3.66Å; C228-C241 WeakPolarHBondContact CB-SG 3.05Å; C228-C241 WeakPolarHBondContact SG-CB 3.38Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 3.29Å
229P89.3Confident88.9Confident69 Ų6970.2 Ų70.245%0.44836%0.362SS..PPolyproline II helixtrans-66.1164.5176.727-34.7000112.9R214 N231 T232R214-P229 WeakPolarHBondContact O-CD 3.28Å; R214-P229 WeakPolarHBondContact O-CG 3.38Å; P229-N231 PolarHBondContact O-N 2.95Å; P229-T232 WeakPolarHBondContact CD-OG1 3.48Å; P229-T232 HydrophobicContact CG-CG2 4.23Å; P229-T232 WeakPolarHBondContact CG-OG1 2.99Å; P229-T232 PolarHBondContact O-N 3.46Å; P229-T232 PolarHBondContact O-OG1 2.03Å
230E83.3Confident88.5Confident179 Ų17968.2 Ų68.284%0.83635%0.351SS*.THydrogen-bonded Turntrans-51.2138.5-177.2-67.7-164.8163.800113.3T232E230-T232 PolarHBondContact O-N 3.31Å
231N74.7Confident88.2Confident76 Ų7664.1 Ų64.141%0.40633%0.332SS..THydrogen-bonded Turntrans65.48-176.9-49-63.6000115.7P229 Y243 K244P229-N231 PolarHBondContact O-N 2.95Å; N231-Y243 HydrophobicContact CB-CE2 3.9Å; N231-K244 PolarHBondContact O-N 2.97Å
232T85.9Confident87.8Confident27 Ų2758.1 Ų58.117%0.16631%0.307CS..EExtended strand (participates in β ladder)trans-108.4158.1165.269.60000111.2C228 P229 E230 V242 Y243C228-T232 WeakPolarHBondContact CB-OG1 3.11Å; P229-T232 WeakPolarHBondContact CD-OG1 3.48Å; P229-T232 HydrophobicContact CG-CG2 4.23Å; P229-T232 WeakPolarHBondContact CG-OG1 2.99Å; P229-T232 PolarHBondContact O-N 3.46Å; P229-T232 PolarHBondContact O-OG1 2.03Å; E230-T232 PolarHBondContact O-N 3.31Å; T232-V242 CarbonylContact C-O 3.57Å; T232-V242 WeakPolarHBondContact CA-O 3.07Å; T232-V242 VanDerWaalsContact CB-O 3.3Å; T232-V242 WeakPolarHBondContact CB-O 3.28Å; T232-Y243 HydrophobicContact CG2-CD2 4.44Å
233Q85.9Confident87.1Confident94 Ų9464.4 Ų64.444%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-136.1150.2173.1-68.2-171.50.300109.1D235 C241 V242 K244Q233-D235 PolarHBondContact O-N 3.4Å; Q233-C241 CarbonylContact O-C 3.44Å; Q233-V242 PolarHBondContact N-O 2.81Å; Q233-V242 PolarHBondContact O-N 2.82Å; Q233-K244 HydrophobicContact CB-CB 4.38Å; Q233-K244 HydrophobicContact CB-CD 4.33Å; Q233-K244 VanDerWaalsContact CD-CD 3.42Å; Q233-K244 HydrophobicContact CG-CB 4.28Å; Q233-K244 HydrophobicContact CG-CD 4.13Å
234F89.4Confident85.8Confident56 Ų5666.4 Ų66.425%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-70.8121.4175.9-179.4-124.8000110.4Y224 C226 C228 K236 L239Y224-F234 HydrophobicContact CE2-CE1 4.16Å; Y224-F234 HydrophobicContact CE2-CE2 4.43Å; Y224-F234 AromaticContact CE2-CZ 3.66Å; Y224-F234 HydrophobicContact CE2-CZ 3.66Å; C226-F234 HydrophobicContact CB-CB 4.2Å; C226-F234 HydrophobicContact CB-CD2 3.68Å; C226-F234 HydrophobicContact CB-CE2 4.18Å; C226-F234 HydrophobicContact CB-CG 3.94Å; C226-F234 WeakPolarHBondContact SG-CD2 3.36Å; C226-F234 WeakPolarHBondContact SG-CE2 3.46Å; C228-F234 PolarHBondContact SG-N 2.86Å; F234-K236 HydrophobicContact CD1-CG 4.02Å; F234-K236 HydrophobicContact CE1-CG 3.71Å; F234-L239 HydrophobicContact CZ-CD2 4.15Å
235D87Confident84.4Confident48 Ų4867 Ų6726%0.25733%0.333SS..EExtended strand (participates in β ladder)trans-100.8110.4171.5176.60.1000109.3Q233 T237 T238 L239 D240 V242Q233-D235 PolarHBondContact O-N 3.4Å; D235-T237 VanDerWaalsContact CG-OG1 3.3Å; D235-T237 PolarHBondContact O-N 2.85Å; D235-T237 VanDerWaalsContact O-N 3.14Å; D235-T237 WeakPolarHBondContact OD1-CA 3.12Å; D235-T237 WeakPolarHBondContact OD1-CB 3.11Å; D235-T237 PolarHBondContact OD1-N 2.83Å; D235-T237 PolarHBondContact OD1-OG1 3.47Å; D235-T237 PolarHBondContact OD2-OG1 2.6Å; D235-T238 WeakPolarHBondContact CB-OG1 3.4Å; D235-T238 PolarHBondContact O-N 3.16Å; D235-T238 PolarHBondContact O-OG1 3.21Å; D235-L239 WeakPolarHBondContact O-CA 3.48Å; D235-L239 PolarHBondContact O-N 3.46Å; D235-D240 PolarHBondContact N-O 2.75Å; D235-D240 PolarHBondContact O-N 3.28Å; D235-V242 HydrophobicContact CB-CB 4.45Å; D235-V242 HydrophobicContact CB-CG1 3.99Å; D235-V242 HydrophobicContact CB-CG2 3.6Å
236K84.1Confident83Confident159 Ų15969.3 Ų69.369%0.69134%0.344SS*.THydrogen-bonded Turntrans-61-19178.7-65.7-172.5174.8-168.60113.6F234F234-K236 HydrophobicContact CD1-CG 4.02Å; F234-K236 HydrophobicContact CE1-CG 3.71Å
237T79.9Confident82Confident58 Ų5871.4 Ų71.436%0.35635%0.353SS..THydrogen-bonded Turntrans-86.2-24.8179.572.40000113.1T139 N148 D235T139-T237 PolarHBondContact OG1-O 2.94Å; N148-T237 PolarHBondContact ND2-O 2.81Å; D235-T237 VanDerWaalsContact CG-OG1 3.3Å; D235-T237 PolarHBondContact O-N 2.85Å; D235-T237 VanDerWaalsContact O-N 3.14Å; D235-T237 WeakPolarHBondContact OD1-CA 3.12Å; D235-T237 WeakPolarHBondContact OD1-CB 3.11Å; D235-T237 PolarHBondContact OD1-N 2.83Å; D235-T237 PolarHBondContact OD1-OG1 3.47Å; D235-T237 PolarHBondContact OD2-OG1 2.6Å
238T82.5Confident81.3Confident64 Ų6469.1 Ų69.139%0.39334%0.341SS..THydrogen-bonded Turntrans-106.3-6.1173.960.40000113D235 D240D235-T238 WeakPolarHBondContact CB-OG1 3.4Å; D235-T238 PolarHBondContact O-N 3.16Å; D235-T238 PolarHBondContact O-OG1 3.21Å; T238-D240 PolarHBondContact O-N 2.97Å
239L86.6Confident81.1Confident5 Ų568 Ų683%0.02633%0.334CS..THydrogen-bonded Turntrans54.433.2-175.4-59.4174.5000113.3T139 M150 L173 C212 Y224 F234 D235T139-L239 HydrophobicContact CG2-CD1 3.68Å; T139-L239 HydrophobicContact CG2-CG 3.96Å; M150-L239 HydrophobicContact CE-CD1 3.56Å; M150-L239 HydrophobicContact CG-CD1 3.88Å; M150-L239 HydrophobicContact SD-CD1 3.48Å; M150-L239 WeakPolarHBondContact SD-CD1 3.46Å; L173-L239 HydrophobicContact CB-CD1 4.32Å; L173-L239 HydrophobicContact CD2-CD1 4.34Å; C212-L239 PolarHBondContact N-O 3.47Å; Y224-L239 WeakPolarHBondContact OH-CD2 3.42Å; F234-L239 HydrophobicContact CZ-CD2 4.15Å; D235-L239 WeakPolarHBondContact O-CA 3.48Å; D235-L239 PolarHBondContact O-N 3.46Å
240D87.1Confident80.8Confident12 Ų1271.6 Ų71.66%0.06434%0.344CS..EExtended strand (participates in β ladder)trans-143.1155.6-168.3-173.611.2000111.4R214 D235 T238 V242R214-D240 IonicContact CZ-OD1 3.74Å; R214-D240 IonicContact CZ-OD2 2.86Å; R214-D240 PolarHBondContact N-OD1 3.14Å; R214-D240 IonicContact NH1-OD1 2.71Å; R214-D240 IonicContact NH1-OD2 3.25Å; R214-D240 PolarHBondContact NH1-OD2 2.77Å; R214-D240 IonicContact NH2-OD1 3.14Å; R214-D240 PolarHBondContact NH2-OD1 3.04Å; R214-D240 IonicContact NH2-OD2 2.71Å; R214-D240 PolarHBondContact NH2-OD2 3.3Å; D235-D240 PolarHBondContact N-O 2.75Å; D235-D240 PolarHBondContact O-N 3.28Å; T238-D240 PolarHBondContact O-N 2.97Å; D240-V242 PolarHBondContact O-N 3.04Å
241C88.1Confident80.7Confident0 Ų067.3 Ų67.30%033%0.334CS..EExtended strand (participates in β ladder)trans-8095.8173.9-66.80000109.2R214 C228 Q233R214-C241 HydrophobicContact CB-CB 4.08Å; R214-C241 VanDerWaalsContact CZ-O 3.31Å; R214-C241 PolarHBondContact NE-O 3.26Å; R214-C241 PolarHBondContact NH2-O 3.5Å; C228-C241 WeakPolarHBondContact CA-SG 3.39Å; C228-C241 HydrophobicContact CB-CB 3.66Å; C228-C241 WeakPolarHBondContact CB-SG 3.05Å; C228-C241 WeakPolarHBondContact SG-CB 3.38Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 3.29Å; Q233-C241 CarbonylContact O-C 3.44Å
242V85.3Confident81.2Confident39 Ų3966.3 Ų66.324%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-87.5146-179.8-600000111T232 Q233 D235 D240 K244T232-V242 CarbonylContact C-O 3.57Å; T232-V242 WeakPolarHBondContact CA-O 3.07Å; T232-V242 VanDerWaalsContact CB-O 3.3Å; T232-V242 WeakPolarHBondContact CB-O 3.28Å; Q233-V242 PolarHBondContact N-O 2.81Å; Q233-V242 PolarHBondContact O-N 2.82Å; D235-V242 HydrophobicContact CB-CB 4.45Å; D235-V242 HydrophobicContact CB-CG1 3.99Å; D235-V242 HydrophobicContact CB-CG2 3.6Å; D240-V242 PolarHBondContact O-N 3.04Å; V242-K244 PolarHBondContact O-N 3.44Å
243Y78.2Confident81Confident152 Ų15268.8 Ų68.860%0.59635%0.346SS*.EExtended strand (participates in β ladder)trans-69113.9172.8-173.7-88.4000109.3N231 T232 L245N231-Y243 HydrophobicContact CB-CE2 3.9Å; T232-Y243 HydrophobicContact CG2-CD2 4.44Å; Y243-L245 HydrophobicContact CD1-CD2 4.32Å; Y243-L245 HydrophobicContact CD1-CG 4.06Å; Y243-L245 HydrophobicContact CE1-CB 4.46Å; Y243-L245 HydrophobicContact CE1-CD2 3.59Å; Y243-L245 HydrophobicContact CE1-CG 3.77Å
244K65.7Low80.9Confident94 Ų9473.7 Ų73.741%0.40936%0.361SS..  trans-100.2101.5177-160.3-178.5-169.9-173.30108.2N231 Q233 V242 K246N231-K244 PolarHBondContact O-N 2.97Å; Q233-K244 HydrophobicContact CB-CB 4.38Å; Q233-K244 HydrophobicContact CB-CD 4.33Å; Q233-K244 VanDerWaalsContact CD-CD 3.42Å; Q233-K244 HydrophobicContact CG-CB 4.28Å; Q233-K244 HydrophobicContact CG-CD 4.13Å; V242-K244 PolarHBondContact O-N 3.44Å; K244-K246 PolarHBondContact O-N 2.86Å
245L64.2Low80.8Confident54 Ų5474.9 Ų74.928%0.28336%0.364SS..  trans-51.1111.7167.4-71.9157.9000107.8Y243 M247 P266Y243-L245 HydrophobicContact CD1-CD2 4.32Å; Y243-L245 HydrophobicContact CD1-CG 4.06Å; Y243-L245 HydrophobicContact CE1-CB 4.46Å; Y243-L245 HydrophobicContact CE1-CD2 3.59Å; Y243-L245 HydrophobicContact CE1-CG 3.77Å; L245-M247 HydrophobicContact CB-CE 3.76Å; L245-M247 HydrophobicContact CB-SD 4.35Å; L245-M247 HydrophobicContact CD1-CE 4.4Å; L245-M247 PolarHBondContact O-N 2.03Å; L245-P266 VanDerWaalsContact CD1-O 3.28Å; L245-P266 WeakPolarHBondContact CD1-O 3.32Å
246K65Low80.9Confident152 Ų15272.9 Ų72.966%0.66135%0.354SS*.  trans-66.1107174.3-77.6178.4178.3164.80107.7K244 P248K244-K246 PolarHBondContact O-N 2.86Å; K246-P248 WeakPolarHBondContact O-CD 3.49Å
247M72.3Confident80.9Confident57 Ų5771.4 Ų71.428%0.28135%0.349SS..  trans-71.2116-175.3-68.1-51.9173.800109.8L245 C249 E250 S251 D264L245-M247 HydrophobicContact CB-CE 3.76Å; L245-M247 HydrophobicContact CB-SD 4.35Å; L245-M247 HydrophobicContact CD1-CE 4.4Å; L245-M247 PolarHBondContact O-N 2.03Å; M247-C249 PolarHBondContact O-N 3.35Å; M247-C249 VanDerWaalsContact O-N 3.15Å; M247-E250 HydrophobicContact CB-CB 4.08Å; M247-E250 PolarHBondContact O-N 2.03Å; M247-E250 VanDerWaalsContact O-N 3.09Å; M247-S251 PolarHBondContact O-N 3.44Å; M247-D264 VanDerWaalsContact C-OD1 3.25Å; M247-D264 HydrophobicContact CB-CB 4.22Å; M247-D264 WeakPolarHBondContact CB-OD1 3.43Å; M247-D264 HydrophobicContact CG-CB 4.34Å; M247-D264 HydrophobicContact SD-CB 3.83Å
248P80.6Confident80.9Confident19 Ų1973.5 Ų73.512%0.12336%0.355CS..Hα-helixtrans-60-28.2-171.3-25.834.7000114.5K246 S251 D252 R255 D264 G268 Y270K246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-S251 PolarHBondContact O-OG 3.4Å; P248-D252 PolarHBondContact O-N 3.44Å; P248-R255 PolarHBondContact O-NE 3.07Å; P248-R255 VanDerWaalsContact O-NE 3.13Å; P248-D264 VanDerWaalsContact CD-OD1 3.24Å; P248-D264 WeakPolarHBondContact CD-OD1 3.32Å; P248-G268 WeakPolarHBondContact CG-O 3.43Å; P248-Y270 HydrophobicContact CB-CD1 3.65Å; P248-Y270 HydrophobicContact CB-CE1 4.45Å; P248-Y270 HydrophobicContact CB-CG 4.01Å; P248-Y270 HydrophobicContact CG-CD1 3.91Å; P248-Y270 HydrophobicContact CG-CG 4.42Å
249C87.1Confident80.8Confident13 Ų1373.7 Ų73.79%0.08837%0.369CS..Hα-helixtrans-83.2-22.6178.7-50.40000113.4M247 D252 P253 C262 I263 D264M247-C249 PolarHBondContact O-N 3.35Å; M247-C249 VanDerWaalsContact O-N 3.15Å; C249-D252 CarbonylContact O-C 3.44Å; C249-P253 WeakPolarHBondContact O-CA 3.41Å; C249-C262 VanDerWaalsContact CA-SG 3.53Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.06Å; C249-C262 WeakPolarHBondContact SG-CB 3.04Å; C249-C262 CovalentContact SG-SG 2.03Å; C249-C262 PolarHBondContact SG-SG 3.25Å; C249-I263 VanDerWaalsContact SG-C 3.52Å; C249-I263 PolarHBondContact SG-N 3.2Å; C249-D264 VanDerWaalsContact CB-OD1 3.31Å; C249-D264 WeakPolarHBondContact CB-OD1 3.44Å; C249-D264 WeakPolarHBondContact CB-OD2 3.48Å; C249-D264 PolarHBondContact N-OD1 3.1Å; C249-D264 PolarHBondContact SG-OD1 3.32Å; C249-D264 VanDerWaalsContact SG-OD1 3.32Å
250E83.8Confident80.8Confident145 Ų14573.9 Ų73.968%0.67837%0.373SS*.Hα-helixtrans-70.3-37.7170.1-171.3-179.3-166.600110.2M247M247-E250 HydrophobicContact CB-CB 4.08Å; M247-E250 PolarHBondContact O-N 2.03Å; M247-E250 VanDerWaalsContact O-N 3.09Å
251S82.4Confident80.9Confident89 Ų8980.4 Ų80.462%0.62240%0.401SS*.Hα-helixtrans-71.8-31.9176.371.90000114.2M247 P248 R255M247-S251 PolarHBondContact O-N 3.44Å; P248-S251 PolarHBondContact O-OG 3.4Å; S251-R255 PolarHBondContact OG-NH2 3.02Å
252D84Confident81.1Confident56 Ų5681.1 Ų81.130%0.29941%0.406SS..  trans-154.598.5179175.213.1000109.9P248 C249 Y254 R255P248-D252 PolarHBondContact O-N 3.44Å; C249-D252 CarbonylContact O-C 3.44Å; D252-Y254 PolarHBondContact O-N 2.04Å; D252-Y254 WeakPolarHBondContact OD1-CA 3.33Å; D252-Y254 PolarHBondContact OD1-N 3.15Å; D252-R255 HydrophobicContact CB-CB 4.31Å; D252-R255 WeakPolarHBondContact O-CB 3.18Å; D252-R255 PolarHBondContact O-N 3.43Å; D252-R255 PolarHBondContact OD1-N 2.79Å; D252-R255 WeakPolarHBondContact OD2-CA 3.41Å; D252-R255 PolarHBondContact OD2-N 2.75Å
253P82.2Confident81.2Confident79 Ų7981.9 Ų81.951%0.51341%0.408SS..THydrogen-bonded Turntrans-63.3-20.9176.2-25.135.4000114.2C249C249-P253 WeakPolarHBondContact O-CA 3.41Å
254Y83.6Confident81.6Confident196 Ų19677.2 Ų77.277%0.76939%0.393SS*.THydrogen-bonded Turntrans-99.64-173.1-57.2-74000113.7D252 C256D252-Y254 PolarHBondContact O-N 2.04Å; D252-Y254 WeakPolarHBondContact OD1-CA 3.33Å; D252-Y254 PolarHBondContact OD1-N 3.15Å; Y254-C256 CarbonylContact O-C 3.35Å; Y254-C256 PolarHBondContact O-N 3.2Å
255R88.1Confident82.2Confident82 Ų8275.2 Ų75.231%0.30939%0.387SS..  trans-47.3-26.7176.4-175.6175.1-65.9-76.13.1114.6P248 S251 D252 Y270P248-R255 PolarHBondContact O-NE 3.07Å; P248-R255 VanDerWaalsContact O-NE 3.13Å; S251-R255 PolarHBondContact OG-NH2 3.02Å; D252-R255 HydrophobicContact CB-CB 4.31Å; D252-R255 WeakPolarHBondContact O-CB 3.18Å; D252-R255 PolarHBondContact O-N 3.43Å; D252-R255 PolarHBondContact OD1-N 2.79Å; D252-R255 WeakPolarHBondContact OD2-CA 3.41Å; D252-R255 PolarHBondContact OD2-N 2.75Å; R255-Y270 VanDerWaalsContact CD-CE2 3.43Å; R255-Y270 HydrophobicContact CG-CD2 4.31Å; R255-Y270 HydrophobicContact CG-CE1 4.46Å; R255-Y270 HydrophobicContact CG-CE2 3.65Å
256C87.3Confident82.6Confident6 Ų678.4 Ų78.44%0.04141%0.41CS..SBendtrans-89.5104.2176.6-67.30000111.8Y254 G260 C262 C272Y254-C256 CarbonylContact O-C 3.35Å; Y254-C256 PolarHBondContact O-N 3.2Å; C256-G260 WeakPolarHBondContact CB-O 3.37Å; C256-G260 PolarHBondContact O-N 2.96Å; C256-C262 WeakPolarHBondContact SG-CA 3.46Å; C256-C272 VanDerWaalsContact CA-SG 3.5Å; C256-C272 HydrophobicContact CB-CB 3.78Å; C256-C272 WeakPolarHBondContact CB-SG 3.33Å; C256-C272 WeakPolarHBondContact SG-CA 3.28Å; C256-C272 WeakPolarHBondContact SG-CB 3.45Å; C256-C272 CovalentContact SG-SG 2.03Å; C256-C272 PolarHBondContact SG-SG 2.73Å
257H84.7Confident83Confident128 Ų12875.4 Ų75.459%0.59341%0.408SS*.THydrogen-bonded Turntrans-61.3164.4177.5-65.1-160.5000112.4G259 G260 C287H257-G259 VanDerWaalsContact C-N 3.31Å; H257-G259 PolarHBondContact O-N 2.69Å; H257-G260 PolarHBondContact O-N 2.98Å; H257-C287 WeakPolarHBondContact O-CB 3.41Å
258H80.2Confident83Confident102 Ų10273.7 Ų73.747%0.47241%0.405SS..THydrogen-bonded Turntrans55.337.6-179.8-51.4114000114.6G260 P275 T278 C287H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.85Å; H258-P275 VanDerWaalsContact O-CG 3.27Å; H258-P275 WeakPolarHBondContact O-CG 2.99Å; H258-T278 HydrophobicContact CB-CG2 4.34Å; H258-C287 HydrophobicContact CB-CB 4.3Å; H258-C287 PolarHBondContact ND1-O 3.23Å
259G80.2Confident83.1Confident67 Ų6775.4 Ų75.469%0.69141%0.414SS*.THydrogen-bonded Turntrans71.318.3176.600000114.4H257H257-G259 VanDerWaalsContact C-N 3.31Å; H257-G259 PolarHBondContact O-N 2.69Å
260G85.8Confident83.2Confident10 Ų1076.5 Ų76.510%0.10342%0.416CS..PPolyproline II helixtrans-65.8147.6173.400000112.3C256 H257 H258 I273C256-G260 WeakPolarHBondContact CB-O 3.37Å; C256-G260 PolarHBondContact O-N 2.96Å; H257-G260 PolarHBondContact O-N 2.98Å; H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.85Å; G260-I273 CarbonylContact C-O 3.59Å; G260-I273 VanDerWaalsContact CA-O 3.25Å; G260-I273 WeakPolarHBondContact CA-O 3.38Å
261K90.8Very high83.4Confident149 Ų14973.4 Ų73.465%0.64840%0.4SS*.EExtended strand (participates in β ladder)trans-91.3120.4171.9-177.2172.6-178.81750110.1I273K261-I273 PolarHBondContact N-O 3.42Å; K261-I273 PolarHBondContact O-N 2.74Å
262C90.5Very high83.8Confident15 Ų1569.3 Ų69.310%0.10137%0.372CS..EExtended strand (participates in β ladder)trans-70.2136.2172.4-162.40000110.6C249 C256C249-C262 VanDerWaalsContact CA-SG 3.53Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.06Å; C249-C262 WeakPolarHBondContact SG-CB 3.04Å; C249-C262 CovalentContact SG-SG 2.03Å; C249-C262 PolarHBondContact SG-SG 3.25Å; C256-C262 WeakPolarHBondContact SG-CA 3.46Å
263I88.7Confident83.9Confident55 Ų5571 Ų7128%0.28238%0.38SS..EExtended strand (participates in β ladder)trans-136.5122.6173.4-59.8-174.1000109.3C249 Y270 K271 I273C249-I263 VanDerWaalsContact SG-C 3.52Å; C249-I263 PolarHBondContact SG-N 3.2Å; I263-Y270 CarbonylContact O-C 3.56Å; I263-Y270 WeakPolarHBondContact O-CA 3.43Å; I263-K271 HydrophobicContact CB-CG 4.23Å; I263-K271 PolarHBondContact N-O 3.22Å; I263-K271 PolarHBondContact O-N 2.81Å; I263-I273 HydrophobicContact CD1-CD1 3.37Å; I263-I273 HydrophobicContact CD1-CG1 3.75Å
264D85.3Confident84Confident54 Ų5468.4 Ų68.429%0.28936%0.363SS..EExtended strand (participates in β ladder)trans-69.2150.3174.9-52.2-72.2000112.1M247 P248 C249M247-D264 VanDerWaalsContact C-OD1 3.25Å; M247-D264 HydrophobicContact CB-CB 4.22Å; M247-D264 WeakPolarHBondContact CB-OD1 3.43Å; M247-D264 HydrophobicContact CG-CB 4.34Å; M247-D264 HydrophobicContact SD-CB 3.83Å; P248-D264 VanDerWaalsContact CD-OD1 3.24Å; P248-D264 WeakPolarHBondContact CD-OD1 3.32Å; C249-D264 VanDerWaalsContact CB-OD1 3.31Å; C249-D264 WeakPolarHBondContact CB-OD1 3.44Å; C249-D264 WeakPolarHBondContact CB-OD2 3.48Å; C249-D264 PolarHBondContact N-OD1 3.1Å; C249-D264 PolarHBondContact SG-OD1 3.32Å; C249-D264 VanDerWaalsContact SG-OD1 3.32Å
265L79.5Confident83.8Confident52 Ų5261.6 Ų61.627%0.27234%0.343SS..  trans-114.6147.5178.3-60.6175.6000109.7S267 G268 D269 K271L265-S267 PolarHBondContact O-N 2.03Å; L265-G268 PolarHBondContact O-N 3.01Å; L265-D269 WeakPolarHBondContact CB-O 3.12Å; L265-D269 HydrophobicContact CD1-CB 4.41Å; L265-D269 PolarHBondContact N-O 3.34Å; L265-K271 HydrophobicContact CD1-CB 4.5Å; L265-K271 HydrophobicContact CD2-CD 4.02Å; L265-K271 HydrophobicContact CD2-CG 4.16Å
266P71.5Confident82.9Confident121 Ų12170.3 Ų70.379%0.78638%0.376SS*.THydrogen-bonded Turntrans-57.6-13.3178.2-26.735.4000115.5L245 G268L245-P266 VanDerWaalsContact CD1-O 3.28Å; L245-P266 WeakPolarHBondContact CD1-O 3.32Å; P266-G268 VanDerWaalsContact C-N 3.29Å
267S75.2Confident82Confident88 Ų8872.9 Ų72.962%0.61540%0.404SS*.THydrogen-bonded Turntrans-80.1-1.8172.759.50000114.5L265 D269L265-S267 PolarHBondContact O-N 2.03Å; S267-D269 VanDerWaalsContact C-N 3.25Å; S267-D269 PolarHBondContact O-N 2.78Å
268G72Confident81.6Confident21 Ų2168.2 Ų68.222%0.21639%0.385CS..SBendtrans75.611-170.300000114.3P248 L265 P266P248-G268 WeakPolarHBondContact CG-O 3.43Å; L265-G268 PolarHBondContact O-N 3.01Å; P266-G268 VanDerWaalsContact C-N 3.29Å
269D82.6Confident81.4Confident56 Ų5669.2 Ų69.230%0.29938%0.384SS..  trans-98-179.4170.3-156.5-3.9000110L265 S267 K285L265-D269 WeakPolarHBondContact CB-O 3.12Å; L265-D269 HydrophobicContact CD1-CB 4.41Å; L265-D269 PolarHBondContact N-O 3.34Å; S267-D269 VanDerWaalsContact C-N 3.25Å; S267-D269 PolarHBondContact O-N 2.78Å; D269-K285 WeakPolarHBondContact OD1-CE 3.45Å; D269-K285 IonicContact OD1-NZ 3.56Å; D269-K285 PolarHBondContact OD1-NZ 2.92Å; D269-K285 VanDerWaalsContact OD2-CE 3.27Å; D269-K285 WeakPolarHBondContact OD2-CE 3.2Å; D269-K285 IonicContact OD2-NZ 2.7Å; D269-K285 PolarHBondContact OD2-NZ 2.89Å
270Y87.8Confident81.2Confident36 Ų3668.7 Ų68.714%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-134.6165.1177.171.9-74.3000111.8P248 R255 I263 K285P248-Y270 HydrophobicContact CB-CD1 3.65Å; P248-Y270 HydrophobicContact CB-CE1 4.45Å; P248-Y270 HydrophobicContact CB-CG 4.01Å; P248-Y270 HydrophobicContact CG-CD1 3.91Å; P248-Y270 HydrophobicContact CG-CG 4.42Å; R255-Y270 VanDerWaalsContact CD-CE2 3.43Å; R255-Y270 HydrophobicContact CG-CD2 4.31Å; R255-Y270 HydrophobicContact CG-CE1 4.46Å; R255-Y270 HydrophobicContact CG-CE2 3.65Å; I263-Y270 CarbonylContact O-C 3.56Å; I263-Y270 WeakPolarHBondContact O-CA 3.43Å; Y270-K285 HydrophobicContact CE1-CD 3.93Å; Y270-K285 HydrophobicContact CE1-CG 4.39Å; Y270-K285 HydrophobicContact CE2-CB 4.07Å; Y270-K285 HydrophobicContact CE2-CG 4.41Å
271K88.8Confident81.2Confident79 Ų7968.8 Ų68.834%0.34337%0.367SS..EExtended strand (participates in β ladder)trans-135154.5167.864.7177.5177.7-175.10111.2I263 L265 R284I263-K271 HydrophobicContact CB-CG 4.23Å; I263-K271 PolarHBondContact N-O 3.22Å; I263-K271 PolarHBondContact O-N 2.81Å; L265-K271 HydrophobicContact CD1-CB 4.5Å; L265-K271 HydrophobicContact CD2-CD 4.02Å; L265-K271 HydrophobicContact CD2-CG 4.16Å; K271-R284 CarbonylContact C-O 3.5Å; K271-R284 WeakPolarHBondContact CA-O 3.44Å; K271-R284 HydrophobicContact CB-CB 4.37Å
272C90.4Very high80.7Confident3 Ų371.1 Ų71.12%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-100.9124173.2-62.10000111.5C256 T280 R284 K285C256-C272 VanDerWaalsContact CA-SG 3.5Å; C256-C272 HydrophobicContact CB-CB 3.78Å; C256-C272 WeakPolarHBondContact CB-SG 3.33Å; C256-C272 WeakPolarHBondContact SG-CA 3.28Å; C256-C272 WeakPolarHBondContact SG-CB 3.45Å; C256-C272 CovalentContact SG-SG 2.03Å; C256-C272 PolarHBondContact SG-SG 2.73Å; C272-T280 PolarHBondContact O-OG1 2.99Å; C272-R284 PolarHBondContact N-O 3.07Å; C272-K285 PolarHBondContact SG-O 3.46Å
273I86.8Confident80.3Confident91 Ų9175.2 Ų75.247%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-88.3124.2162.9-63.9-165.3000108.2G260 K261 I263G260-I273 CarbonylContact C-O 3.59Å; G260-I273 VanDerWaalsContact CA-O 3.25Å; G260-I273 WeakPolarHBondContact CA-O 3.38Å; K261-I273 PolarHBondContact N-O 3.42Å; K261-I273 PolarHBondContact O-N 2.74Å; I263-I273 HydrophobicContact CD1-CD1 3.37Å; I263-I273 HydrophobicContact CD1-CG1 3.75Å
274C84.1Confident80Confident25 Ų2580.6 Ų80.617%0.16942%0.418CS..PPolyproline II helixtrans-100.1142.5-169.1-59.30000112.5T278 T280 C287C274-T278 WeakPolarHBondContact CB-OG1 3.42Å; C274-T280 VanDerWaalsContact SG-CA 3.59Å; C274-T280 PolarHBondContact SG-OG1 3.41Å; C274-C287 WeakPolarHBondContact CA-SG 3.1Å; C274-C287 HydrophobicContact CB-CB 3.69Å; C274-C287 WeakPolarHBondContact CB-SG 3.47Å; C274-C287 WeakPolarHBondContact SG-CA 3.15Å; C274-C287 WeakPolarHBondContact SG-CB 3.28Å; C274-C287 CovalentContact SG-SG 2.03Å; C274-C287 PolarHBondContact SG-SG 3.47Å
275P80.3Confident80Confident54 Ų5480.9 Ų80.935%0.35142%0.416SS..PPolyproline II helixtrans-69.5160.6176.529.7-35.5000111.8H258 G277 T278H258-P275 VanDerWaalsContact O-CG 3.27Å; H258-P275 WeakPolarHBondContact O-CG 2.99Å; P275-G277 PolarHBondContact O-N 3.22Å; P275-T278 WeakPolarHBondContact CD-OG1 3.48Å; P275-T278 PolarHBondContact O-N 3.26Å; P275-T278 VanDerWaalsContact O-N 3.09Å; P275-T278 PolarHBondContact O-OG1 2.99Å
276W69.3Low80.3Confident264 Ų26480.1 Ų80.1100%142%0.415SS*.THydrogen-bonded Turntrans-54.7137.5176.9-7212.1000111.4
277G67.7Low81Confident60 Ų6074.4 Ų74.462%0.61938%0.378SS*.THydrogen-bonded Turntrans91.4-8.3-172.500000114.6P275P275-G277 PolarHBondContact O-N 3.22Å
278T76.4Confident81.4Confident31 Ų3172.9 Ų72.919%0.1936%0.362CS..EExtended strand (participates in β ladder)trans-124.1154.3171.765.60000110.4H258 C274 P275 I288H258-T278 HydrophobicContact CB-CG2 4.34Å; C274-T278 WeakPolarHBondContact CB-OG1 3.42Å; P275-T278 WeakPolarHBondContact CD-OG1 3.48Å; P275-T278 PolarHBondContact O-N 3.26Å; P275-T278 VanDerWaalsContact O-N 3.09Å; P275-T278 PolarHBondContact O-OG1 2.99Å; T278-I288 CarbonylContact C-O 3.4Å; T278-I288 WeakPolarHBondContact CA-O 3.37Å; T278-I288 WeakPolarHBondContact CB-O 3.07Å
279R75Confident81.4Confident123 Ų12378 Ų7846%0.46438%0.381SS..EExtended strand (participates in β ladder)trans-113.2158.2169.669167.3152.5100.710.7111.3C287 I288 D290R279-C287 WeakPolarHBondContact O-CA 3.22Å; R279-I288 HydrophobicContact CG-CD1 4.07Å; R279-I288 HydrophobicContact CG-CG1 3.73Å; R279-I288 PolarHBondContact N-O 3.47Å; R279-I288 VanDerWaalsContact NH1-CD1 3.31Å; R279-I288 VanDerWaalsContact O-CG1 3.29Å; R279-I288 WeakPolarHBondContact O-CG1 3.01Å; R279-I288 PolarHBondContact O-N 3.1Å; R279-D290 WeakPolarHBondContact CD-OD2 3.03Å; R279-D290 HydrophobicContact CG-CB 4.17Å; R279-D290 WeakPolarHBondContact CG-OD2 3.29Å; R279-D290 IonicContact CZ-OD1 3.24Å; R279-D290 IonicContact NE-OD1 2.74Å; R279-D290 PolarHBondContact NE-OD1 3.17Å; R279-D290 IonicContact NE-OD2 2.87Å; R279-D290 PolarHBondContact NE-OD2 3.08Å; R279-D290 VanDerWaalsContact NE-OD2 3.13Å; R279-D290 IonicContact NH2-OD1 3.48Å; R279-D290 PolarHBondContact NH2-OD1 2.8Å
280T77.7Confident80.4Confident56 Ų5677 Ų7734%0.34438%0.376SS..EExtended strand (participates in β ladder)trans-69.6137169.5-58.70000110.2C272 C274 R284C272-T280 PolarHBondContact O-OG1 2.99Å; C274-T280 VanDerWaalsContact SG-CA 3.59Å; C274-T280 PolarHBondContact SG-OG1 3.41Å; T280-R284 VanDerWaalsContact CG2-CA 3.49Å; T280-R284 HydrophobicContact CG2-CB 3.79Å; T280-R284 HydrophobicContact CG2-CG 4Å
281S83.8Confident78.9Confident12 Ų1284.1 Ų84.18%0.08441%0.407CS..  trans-65.3165.3173.651.30000112.9D283 R284 K285 S286S281-D283 VanDerWaalsContact C-N 3.32Å; S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.35Å; S281-D283 PolarHBondContact OG-OD1 2.04Å; S281-R284 WeakPolarHBondContact O-CA 3.21Å; S281-R284 PolarHBondContact O-N 2.65Å; S281-K285 PolarHBondContact OG-N 3.47Å; S281-S286 VanDerWaalsContact CB-OG 3.29Å; S281-S286 WeakPolarHBondContact CB-OG 3.03Å; S281-S286 PolarHBondContact N-O 3.01Å; S281-S286 PolarHBondContact OG-N 2.9Å; S281-S286 PolarHBondContact OG-O 3.38Å; S281-S286 PolarHBondContact OG-OG 2.81Å
282Q80.7Confident77.2Confident198 Ų19889.5 Ų89.593%0.92543%0.433SS*.THydrogen-bonded Turntrans-65.2-32.6-173.5-173.7173.9-6.300113.5R284Q282-R284 VanDerWaalsContact C-N 3.28Å
283D83.8Confident75.3Confident101 Ų10193.9 Ų93.954%0.5446%0.456SS..THydrogen-bonded Turntrans-80.2-9.2172.666.1-10.4000113.3S281 K285S281-D283 VanDerWaalsContact C-N 3.32Å; S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.35Å; S281-D283 PolarHBondContact OG-OD1 2.04Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 2.93Å; D283-K285 PolarHBondContact OD1-N 2.88Å; D283-K285 VanDerWaalsContact OD1-N 3.11Å
284R80.8Confident73.7Confident168 Ų16896.1 Ų96.163%0.63446%0.464SS*.SBendtrans68.215.8-177.2-50.3178.3179.5177.5-1.6116.1K271 C272 T280 S281 Q282K271-R284 CarbonylContact C-O 3.5Å; K271-R284 WeakPolarHBondContact CA-O 3.44Å; K271-R284 HydrophobicContact CB-CB 4.37Å; C272-R284 PolarHBondContact N-O 3.07Å; T280-R284 VanDerWaalsContact CG2-CA 3.49Å; T280-R284 HydrophobicContact CG2-CB 3.79Å; T280-R284 HydrophobicContact CG2-CG 4Å; S281-R284 WeakPolarHBondContact O-CA 3.21Å; S281-R284 PolarHBondContact O-N 2.65Å; Q282-R284 VanDerWaalsContact C-N 3.28Å
285K85.6Confident72.6Confident59 Ų5999.6 Ų99.626%0.25748%0.477SS..SBendtrans-102.51.1-173.5-60.9-164.8-176-159.20115D269 Y270 C272 S281 D283D269-K285 WeakPolarHBondContact OD1-CE 3.45Å; D269-K285 IonicContact OD1-NZ 3.56Å; D269-K285 PolarHBondContact OD1-NZ 2.92Å; D269-K285 VanDerWaalsContact OD2-CE 3.27Å; D269-K285 WeakPolarHBondContact OD2-CE 3.2Å; D269-K285 IonicContact OD2-NZ 2.7Å; D269-K285 PolarHBondContact OD2-NZ 2.89Å; Y270-K285 HydrophobicContact CE1-CD 3.93Å; Y270-K285 HydrophobicContact CE1-CG 4.39Å; Y270-K285 HydrophobicContact CE2-CB 4.07Å; Y270-K285 HydrophobicContact CE2-CG 4.41Å; C272-K285 PolarHBondContact SG-O 3.46Å; S281-K285 PolarHBondContact OG-N 3.47Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 2.93Å; D283-K285 PolarHBondContact OD1-N 2.88Å; D283-K285 VanDerWaalsContact OD1-N 3.11Å
286S86.3Confident72Confident37 Ų3799.5 Ų99.526%0.25947%0.474SS..SBendtrans-150.8162.7178.350.50000111.8S281S281-S286 VanDerWaalsContact CB-OG 3.29Å; S281-S286 WeakPolarHBondContact CB-OG 3.03Å; S281-S286 PolarHBondContact N-O 3.01Å; S281-S286 PolarHBondContact OG-N 2.9Å; S281-S286 PolarHBondContact OG-O 3.38Å; S281-S286 PolarHBondContact OG-OG 2.81Å
287C86.1Confident72.4Confident1 Ų188.5 Ų88.51%0.00743%0.434CS..EExtended strand (participates in β ladder)trans-105.1136.3169.5-58.10000108.8H257 H258 C274 R279H257-C287 WeakPolarHBondContact O-CB 3.41Å; H258-C287 HydrophobicContact CB-CB 4.3Å; H258-C287 PolarHBondContact ND1-O 3.23Å; C274-C287 WeakPolarHBondContact CA-SG 3.1Å; C274-C287 HydrophobicContact CB-CB 3.69Å; C274-C287 WeakPolarHBondContact CB-SG 3.47Å; C274-C287 WeakPolarHBondContact SG-CA 3.15Å; C274-C287 WeakPolarHBondContact SG-CB 3.28Å; C274-C287 CovalentContact SG-SG 2.03Å; C274-C287 PolarHBondContact SG-SG 3.47Å; R279-C287 WeakPolarHBondContact O-CA 3.22Å
288I84.3Confident73.1Confident55 Ų5586.5 Ų86.528%0.28241%0.41SS..EExtended strand (participates in β ladder)trans-126.4135.6-177.550.3178.3000108.9T278 R279 D290T278-I288 CarbonylContact C-O 3.4Å; T278-I288 WeakPolarHBondContact CA-O 3.37Å; T278-I288 WeakPolarHBondContact CB-O 3.07Å; R279-I288 HydrophobicContact CG-CD1 4.07Å; R279-I288 HydrophobicContact CG-CG1 3.73Å; R279-I288 PolarHBondContact N-O 3.47Å; R279-I288 VanDerWaalsContact NH1-CD1 3.31Å; R279-I288 VanDerWaalsContact O-CG1 3.29Å; R279-I288 WeakPolarHBondContact O-CG1 3.01Å; R279-I288 PolarHBondContact O-N 3.1Å; I288-D290 PolarHBondContact O-N 2.04Å
289E71.3Confident73.2Confident128 Ų12892.1 Ų92.160%0.59843%0.434SS*.EExtended strand (participates in β ladder)trans-61.6124.9175.9-62.6-176.7164.500109.7
290D61.5Low73.1Confident36 Ų3692 Ų9219%0.19344%0.442CS..  trans-10097.2179.8-135.111.4000109.1R279 I288 E292R279-D290 WeakPolarHBondContact CD-OD2 3.03Å; R279-D290 HydrophobicContact CG-CB 4.17Å; R279-D290 WeakPolarHBondContact CG-OD2 3.29Å; R279-D290 IonicContact CZ-OD1 3.24Å; R279-D290 IonicContact NE-OD1 2.74Å; R279-D290 PolarHBondContact NE-OD1 3.17Å; R279-D290 IonicContact NE-OD2 2.87Å; R279-D290 PolarHBondContact NE-OD2 3.08Å; R279-D290 VanDerWaalsContact NE-OD2 3.13Å; R279-D290 IonicContact NH2-OD1 3.48Å; R279-D290 PolarHBondContact NH2-OD1 2.8Å; I288-D290 PolarHBondContact O-N 2.04Å; D290-E292 PolarHBondContact O-N 3.03Å; D290-E292 VanDerWaalsContact O-N 3.1Å
291K55.3Low73Confident185 Ų18596.1 Ų96.180%0.80445%0.452SS*.THydrogen-bonded Turntrans-70.6106170.9-70.1-176.2179.4178.80108.1
292E53.2Low72.1Confident192 Ų192102.5 Ų102.590%0.89748%0.479SS*.THydrogen-bonded Turntrans70.372.4175.8-54.7-174.7153.500116.1D290D290-E292 PolarHBondContact O-N 3.03Å; D290-E292 VanDerWaalsContact O-N 3.1Å
293L51.1Low71.2Confident96 Ų9698.2 Ų98.250%0.50347%0.47SS..  trans-105.3106.4154.7-141.379.3000110.4F295L293-F295 HydrophobicContact CB-CD1 4.46Å; L293-F295 HydrophobicContact CB-CE1 3.92Å; L293-F295 HydrophobicContact CB-CZ 4.49Å; L293-F295 HydrophobicContact CD2-CD1 4.14Å; L293-F295 HydrophobicContact CD2-CE1 3.92Å; L293-F295 HydrophobicContact CG-CE1 4.32Å; L293-F295 WeakPolarHBondContact O-CZ 3.41Å
294H53.3Low70.6Confident137 Ų13797.3 Ų97.363%0.63447%0.472SS*.  trans-89.8105.9178.8-159.5118.5000108.9G315H294-G315 WeakPolarHBondContact CE1-CA 3.48Å; H294-G315 WeakPolarHBondContact NE2-CA 3.48Å
295F60.3Low70.7Confident98 Ų9890.7 Ų90.743%0.4345%0.45SS..  trans-91.3115.6-178.8-15.3-92.1000110.7L293 I297 L300 N316L293-F295 HydrophobicContact CB-CD1 4.46Å; L293-F295 HydrophobicContact CB-CE1 3.92Å; L293-F295 HydrophobicContact CB-CZ 4.49Å; L293-F295 HydrophobicContact CD2-CD1 4.14Å; L293-F295 HydrophobicContact CD2-CE1 3.92Å; L293-F295 HydrophobicContact CG-CE1 4.32Å; L293-F295 WeakPolarHBondContact O-CZ 3.41Å; F295-I297 PolarHBondContact O-N 2.84Å; F295-L300 HydrophobicContact CB-CD1 4.35Å; F295-N316 HydrophobicContact CD2-CB 4.45Å; F295-N316 HydrophobicContact CE2-CB 4.44Å
296D68.4Low70.6Confident53 Ų5388.3 Ų88.328%0.28344%0.441SS..  trans-72.197.7169.1-173.2-24.6000109.9C298 Q299 L300D296-C298 PolarHBondContact O-N 3.14Å; D296-C298 WeakPolarHBondContact OD1-CA 3.22Å; D296-C298 VanDerWaalsContact OD1-CB 3.31Å; D296-C298 WeakPolarHBondContact OD1-CB 3.37Å; D296-C298 PolarHBondContact OD1-N 3.42Å; D296-Q299 HydrophobicContact CB-CB 3.81Å; D296-Q299 PolarHBondContact O-N 3.46Å; D296-Q299 PolarHBondContact OD1-N 3.42Å; D296-L300 PolarHBondContact O-N 2.82Å; D296-L300 VanDerWaalsContact O-N 3.1Å
297I78Confident70.4Confident33 Ų3394.2 Ų94.217%0.16946%0.462CS..Hα-helixtrans-61.4-34.6178.4-63.8171.5000111.1F295 Q299 L300 Y301 Y318F295-I297 PolarHBondContact O-N 2.84Å; I297-Q299 VanDerWaalsContact C-N 3.35Å; I297-L300 PolarHBondContact O-N 3.29Å; I297-Y301 HydrophobicContact CG2-CD2 4.01Å; I297-Y301 PolarHBondContact O-N 2.76Å; I297-Y301 VanDerWaalsContact O-N 3.1Å; I297-Y318 HydrophobicContact CB-CD1 4.21Å; I297-Y318 HydrophobicContact CD1-CD1 3.89Å; I297-Y318 HydrophobicContact CG2-CD1 3.65Å; I297-Y318 HydrophobicContact CG2-CE1 4.11Å; I297-Y318 HydrophobicContact CG2-CG 4.33Å
298C83Confident70.2Confident17 Ų1797.6 Ų97.612%0.11548%0.48CS..Hα-helixtrans-70.7-32.4178.3-56.60000111.4D296 K302 C311 P313D296-C298 PolarHBondContact O-N 3.14Å; D296-C298 WeakPolarHBondContact OD1-CA 3.22Å; D296-C298 VanDerWaalsContact OD1-CB 3.31Å; D296-C298 WeakPolarHBondContact OD1-CB 3.37Å; D296-C298 PolarHBondContact OD1-N 3.42Å; C298-K302 WeakPolarHBondContact O-CA 3.06Å; C298-K302 PolarHBondContact O-N 2.87Å; C298-C311 WeakPolarHBondContact CA-SG 3.21Å; C298-C311 HydrophobicContact CB-CB 3.73Å; C298-C311 WeakPolarHBondContact CB-SG 3.05Å; C298-C311 WeakPolarHBondContact SG-CB 3.47Å; C298-C311 CovalentContact SG-SG 2.04Å; C298-C311 PolarHBondContact SG-SG 3.17Å; C298-P313 VanDerWaalsContact SG-N 3.42Å
299Q78.2Confident70.3Confident150 Ų15095.8 Ų95.870%0.70148%0.475SS*.Hα-helixtrans-71.1-40.6173.6-166.9178.434.900112.3D296 I297D296-Q299 HydrophobicContact CB-CB 3.81Å; D296-Q299 PolarHBondContact O-N 3.46Å; D296-Q299 PolarHBondContact OD1-N 3.42Å; I297-Q299 VanDerWaalsContact C-N 3.35Å
300L73.2Confident71.1Confident119 Ų11996.1 Ų96.162%0.62348%0.477SS*.Hα-helixtrans-66.9-43.7-179.5-75.2168000112.9F295 D296 I297F295-L300 HydrophobicContact CB-CD1 4.35Å; D296-L300 PolarHBondContact O-N 2.82Å; D296-L300 VanDerWaalsContact O-N 3.1Å; I297-L300 PolarHBondContact O-N 3.29Å
301Y73.8Confident72.4Confident143 Ų14395.4 Ų95.456%0.56147%0.474SS*.Hα-helixtrans-111.52.1-171.2-64-79.2000114I297 S303 S304 V305I297-Y301 HydrophobicContact CG2-CD2 4.01Å; I297-Y301 PolarHBondContact O-N 2.76Å; I297-Y301 VanDerWaalsContact O-N 3.1Å; Y301-S303 PolarHBondContact O-N 2.04Å; Y301-S304 PolarHBondContact O-N 2.7Å; Y301-S304 PolarHBondContact O-OG 3.24Å; Y301-S304 VanDerWaalsContact O-OG 3.09Å; Y301-V305 HydrophobicContact CG-CG2 4.2Å
302K65.5Low73.9Confident147 Ų14789.2 Ų89.264%0.63945%0.449SS*.THydrogen-bonded Turntrans44.7-96.4175.6-68.7-175.7175.9-179.20114.3C298C298-K302 WeakPolarHBondContact O-CA 3.06Å; C298-K302 PolarHBondContact O-N 2.87Å
303S62.3Low75.2Confident107 Ų10782.9 Ų82.975%0.74843%0.425SS*.THydrogen-bonded Turntrans-110.3-1.2-171580000113.9Y301Y301-S303 PolarHBondContact O-N 2.04Å
304S71.7Confident76.5Confident82 Ų8284.8 Ų84.857%0.57343%0.425SS*.SBendtrans-86.3-11.8-178.769.10000114.1Y301Y301-S304 PolarHBondContact O-N 2.7Å; Y301-S304 PolarHBondContact O-OG 3.24Å; Y301-S304 VanDerWaalsContact O-OG 3.09Å
305V81.9Confident77.3Confident29 Ų2979.7 Ų79.718%0.17641%0.409CS..SBendtrans-80.4-65.3-174.9-167.80000111.1Y301 K307 Y318Y301-V305 HydrophobicContact CG-CG2 4.2Å; V305-K307 PolarHBondContact O-N 3.49Å; V305-Y318 HydrophobicContact CG1-CD1 4.32Å; V305-Y318 HydrophobicContact CG1-CD2 3.75Å; V305-Y318 HydrophobicContact CG1-CE1 3.85Å; V305-Y318 HydrophobicContact CG1-CE2 3.21Å; V305-Y318 HydrophobicContact CG1-CG 4.28Å
306C83.4Confident77.5Confident9 Ų980 Ų806%0.06142%0.415CS..SBendtrans-90.885.1-178.4-61.60000110.4N308 G309 C311 C320C306-N308 PolarHBondContact O-N 3.08Å; C306-G309 VanDerWaalsContact CB-O 3.32Å; C306-G309 WeakPolarHBondContact CB-O 3.47Å; C306-G309 PolarHBondContact O-N 3.3Å; C306-C311 HydrophobicContact CB-CB 4.47Å; C306-C311 VanDerWaalsContact SG-CA 3.51Å; C306-C320 VanDerWaalsContact CA-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 3.73Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.14Å; C306-C320 WeakPolarHBondContact SG-CB 3.36Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.98Å
307K82.1Confident77.9Confident162 Ų16280.6 Ų80.670%0.70442%0.421SS*.THydrogen-bonded Turntrans-58.8126.2165.2-70.9-173.7178.9-178.80108.3V305 G309 C335V305-K307 PolarHBondContact O-N 3.49Å; K307-G309 VanDerWaalsContact C-N 3.34Å; K307-G309 PolarHBondContact O-N 3.11Å; K307-C335 WeakPolarHBondContact O-CB 3.24Å
308N81.6Confident78.2Confident71 Ų7181.6 Ų81.638%0.3842%0.423SS..THydrogen-bonded Turntrans63.327.7-178.6-51.4-41.5000116.1C306 N323 F326 C335C306-N308 PolarHBondContact O-N 3.08Å; N308-N323 WeakPolarHBondContact O-CB 3.23Å; N308-N323 PolarHBondContact O-N 3.43Å; N308-F326 HydrophobicContact CB-CD1 3.71Å; N308-F326 HydrophobicContact CB-CD2 3.99Å; N308-F326 HydrophobicContact CB-CE1 3.4Å; N308-F326 VanDerWaalsContact CB-CE1 3.4Å; N308-F326 HydrophobicContact CB-CE2 3.71Å; N308-F326 HydrophobicContact CB-CG 3.99Å; N308-F326 HydrophobicContact CB-CZ 3.39Å; N308-F326 VanDerWaalsContact CG-CE1 3.44Å; N308-F326 WeakPolarHBondContact ND2-CE1 3.09Å; N308-F326 VanDerWaalsContact ND2-CZ 3.32Å; N308-F326 WeakPolarHBondContact ND2-CZ 3.42Å; N308-C335 HydrophobicContact CB-CB 4.32Å
309G86.3Confident78.5Confident18 Ų1882.2 Ų82.219%0.18642%0.424CS..EExtended strand (participates in β ladder)trans-159.2173.5171.100000113.7C306 K307 V321C306-G309 VanDerWaalsContact CB-O 3.32Å; C306-G309 WeakPolarHBondContact CB-O 3.47Å; C306-G309 PolarHBondContact O-N 3.3Å; K307-G309 VanDerWaalsContact C-N 3.34Å; K307-G309 PolarHBondContact O-N 3.11Å; G309-V321 CarbonylContact C-O 3.5Å; G309-V321 WeakPolarHBondContact CA-O 3.43Å
310Q89.1Confident79.1Confident135 Ų13575.3 Ų75.363%0.63139%0.393SS*.EExtended strand (participates in β ladder)trans-91.9128.3173.6-175.8173.2-200110.4C320 V321Q310-C320 WeakPolarHBondContact O-CA 3.25Å; Q310-V321 PolarHBondContact N-O 2.92Å; Q310-V321 PolarHBondContact O-N 2.67Å
311C89.6Confident79.8Confident20 Ų2073.1 Ų73.114%0.13538%0.384CS..EExtended strand (participates in β ladder)trans-74.5127.6172.8-169.70000110.2C298 C306C298-C311 WeakPolarHBondContact CA-SG 3.21Å; C298-C311 HydrophobicContact CB-CB 3.73Å; C298-C311 WeakPolarHBondContact CB-SG 3.05Å; C298-C311 WeakPolarHBondContact SG-CB 3.47Å; C298-C311 CovalentContact SG-SG 2.04Å; C298-C311 PolarHBondContact SG-SG 3.17Å; C306-C311 HydrophobicContact CB-CB 4.47Å; C306-C311 VanDerWaalsContact SG-CA 3.51Å
312I86.9Confident80.5Confident56 Ų5667.7 Ų67.729%0.28737%0.367SS..EExtended strand (participates in β ladder)trans-114.9124170.8-60.7-172.1000108.8Y318 E319 V321I312-Y318 CarbonylContact O-C 3.58Å; I312-Y318 VanDerWaalsContact O-CA 3.3Å; I312-Y318 WeakPolarHBondContact O-CA 3.39Å; I312-E319 HydrophobicContact CB-CG 3.89Å; I312-E319 HydrophobicContact CG2-CG 4.44Å; I312-E319 PolarHBondContact N-O 2.82Å; I312-E319 PolarHBondContact O-N 2.82Å; I312-V321 HydrophobicContact CD1-CB 4.38Å; I312-V321 HydrophobicContact CD1-CG2 3.43Å; I312-V321 VanDerWaalsContact CD1-CG2 3.43Å; I312-V321 HydrophobicContact CG1-CG2 4.13Å
313P80.4Confident81.4Confident58 Ų5864.9 Ų64.938%0.37736%0.359SS..EExtended strand (participates in β ladder)trans-71.3140178.828.5-33.5000111.1C298C298-P313 VanDerWaalsContact SG-N 3.42Å
314R78.2Confident82.2Confident137 Ų13767.6 Ų67.652%0.51736%0.36SS..EExtended strand (participates in β ladder)trans-14482.4-175.1-68.6-63.6-165.4150.71.6109.5T317 E319R314-T317 CarbonylContact C-O 3.59Å; R314-T317 WeakPolarHBondContact CA-O 3.29Å; R314-T317 HydrophobicContact CB-CG2 4.05Å; R314-T317 PolarHBondContact N-O 3.44Å; R314-T317 CarbonylContact O-C 3.29Å; R314-T317 VanDerWaalsContact O-C 3.29Å; R314-T317 WeakPolarHBondContact O-CA 3.02Å; R314-T317 WeakPolarHBondContact O-CG2 3.38Å; R314-T317 PolarHBondContact O-N 3.34Å; R314-T317 VanDerWaalsContact O-O 3.11Å; R314-E319 HydrophobicContact CG-CG 4.11Å; R314-E319 IonicContact CZ-OE1 2.87Å; R314-E319 IonicContact NE-OE1 3.87Å; R314-E319 PolarHBondContact NE-OE1 3.32Å; R314-E319 IonicContact NE-OE2 2.93Å; R314-E319 IonicContact NH2-OE1 3.69Å; R314-E319 PolarHBondContact NH2-OE1 3.02Å; R314-E319 IonicContact NH2-OE2 2.67Å
315G69.6Low82Confident29 Ų2964.7 Ų64.730%0.29934%0.343SS..THydrogen-bonded Turntrans68.2-138.2-178.100000111.8H294 T317H294-G315 WeakPolarHBondContact CE1-CA 3.48Å; H294-G315 WeakPolarHBondContact NE2-CA 3.48Å; G315-T317 PolarHBondContact O-N 2.76Å; G315-T317 VanDerWaalsContact O-N 3.17Å
316N64.8Low81.9Confident104 Ų10464.9 Ų64.956%0.55634%0.341SS*.THydrogen-bonded Turntrans-79.519.3168.9-60.1-11.5000112.4F295F295-N316 HydrophobicContact CD2-CB 4.45Å; F295-N316 HydrophobicContact CE2-CB 4.44Å
317T75.6Confident81.7Confident67 Ų6768 Ų6841%0.41136%0.355SS..EExtended strand (participates in β ladder)trans-139.4-174.8-178.8-164.30000110.3R314 G315 K333R314-T317 CarbonylContact C-O 3.59Å; R314-T317 WeakPolarHBondContact CA-O 3.29Å; R314-T317 HydrophobicContact CB-CG2 4.05Å; R314-T317 PolarHBondContact N-O 3.44Å; R314-T317 CarbonylContact O-C 3.29Å; R314-T317 VanDerWaalsContact O-C 3.29Å; R314-T317 WeakPolarHBondContact O-CA 3.02Å; R314-T317 WeakPolarHBondContact O-CG2 3.38Å; R314-T317 PolarHBondContact O-N 3.34Å; R314-T317 VanDerWaalsContact O-O 3.11Å; G315-T317 PolarHBondContact O-N 2.76Å; G315-T317 VanDerWaalsContact O-N 3.17Å; T317-K333 PolarHBondContact OG1-NZ 2.94Å
318Y85.7Confident81.8Confident53 Ų5363.2 Ų63.221%0.20834%0.34CS..EExtended strand (participates in β ladder)trans-149.6161.1-176.867.5-89000109.9I297 V305 I312 K333I297-Y318 HydrophobicContact CB-CD1 4.21Å; I297-Y318 HydrophobicContact CD1-CD1 3.89Å; I297-Y318 HydrophobicContact CG2-CD1 3.65Å; I297-Y318 HydrophobicContact CG2-CE1 4.11Å; I297-Y318 HydrophobicContact CG2-CG 4.33Å; V305-Y318 HydrophobicContact CG1-CD1 4.32Å; V305-Y318 HydrophobicContact CG1-CD2 3.75Å; V305-Y318 HydrophobicContact CG1-CE1 3.85Å; V305-Y318 HydrophobicContact CG1-CE2 3.21Å; V305-Y318 HydrophobicContact CG1-CG 4.28Å; I312-Y318 CarbonylContact O-C 3.58Å; I312-Y318 VanDerWaalsContact O-CA 3.3Å; I312-Y318 WeakPolarHBondContact O-CA 3.39Å; Y318-K333 HydrophobicContact CD2-CD 4.1Å; Y318-K333 HydrophobicContact CE1-CD 4.16Å; Y318-K333 VanDerWaalsContact CE1-NZ 3.31Å; Y318-K333 HydrophobicContact CE2-CB 4.28Å; Y318-K333 HydrophobicContact CE2-CD 3.65Å; Y318-K333 WeakPolarHBondContact O-CE 3.37Å; Y318-K333 PolarHBondContact O-NZ 3.01Å
319E88.1Confident81.8Confident30 Ų3060.4 Ų60.414%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-128.3154.8165.768.1-17617000110.2I312 R314 R332I312-E319 HydrophobicContact CB-CG 3.89Å; I312-E319 HydrophobicContact CG2-CG 4.44Å; I312-E319 PolarHBondContact N-O 2.82Å; I312-E319 PolarHBondContact O-N 2.82Å; R314-E319 HydrophobicContact CG-CG 4.11Å; R314-E319 IonicContact CZ-OE1 2.87Å; R314-E319 IonicContact NE-OE1 3.87Å; R314-E319 PolarHBondContact NE-OE1 3.32Å; R314-E319 IonicContact NE-OE2 2.93Å; R314-E319 IonicContact NH2-OE1 3.69Å; R314-E319 PolarHBondContact NH2-OE1 3.02Å; R314-E319 IonicContact NH2-OE2 2.67Å; E319-R332 CarbonylContact C-O 3.59Å; E319-R332 WeakPolarHBondContact CA-O 3.41Å; E319-R332 HydrophobicContact CB-CB 4.28Å
320C90.4Very high81.6Confident6 Ų669.2 Ų69.24%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-103.5119.6173.3-61.30000110.3C306 Q310 R332 K333C306-C320 VanDerWaalsContact CA-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 3.73Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.14Å; C306-C320 WeakPolarHBondContact SG-CB 3.36Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.98Å; Q310-C320 WeakPolarHBondContact O-CA 3.25Å; C320-R332 PolarHBondContact N-O 3.12Å; C320-K333 VanDerWaalsContact SG-C 3.55Å; C320-K333 PolarHBondContact SG-O 2.91Å
321V89.7Confident81.3Confident72 Ų7267.7 Ų67.744%0.43636%0.359SS..EExtended strand (participates in β ladder)trans-90112.3167.7174.20000108.1G309 Q310 I312G309-V321 CarbonylContact C-O 3.5Å; G309-V321 WeakPolarHBondContact CA-O 3.43Å; Q310-V321 PolarHBondContact N-O 2.92Å; Q310-V321 PolarHBondContact O-N 2.67Å; I312-V321 HydrophobicContact CD1-CB 4.38Å; I312-V321 HydrophobicContact CD1-CG2 3.43Å; I312-V321 VanDerWaalsContact CD1-CG2 3.43Å; I312-V321 HydrophobicContact CG1-CG2 4.13Å
322C86.8Confident81.1Confident29 Ų2973.7 Ų73.720%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-80.5147.5-167.3-56.50000113.6F326 P328 C335C322-F326 HydrophobicContact CB-CB 3.79Å; C322-P328 VanDerWaalsContact SG-CA 3.58Å; C322-C335 WeakPolarHBondContact CA-SG 3.48Å; C322-C335 HydrophobicContact CB-CB 3.66Å; C322-C335 WeakPolarHBondContact CB-SG 3.49Å; C322-C335 WeakPolarHBondContact SG-CA 3.48Å; C322-C335 WeakPolarHBondContact SG-CB 3.45Å; C322-C335 CovalentContact SG-SG 2.04Å; C322-C335 PolarHBondContact SG-SG 2.87Å
323N85.5Confident81Confident88 Ų8872.8 Ų72.847%0.47137%0.372SS..PPolyproline II helixtrans-68.5163.5175.9-65.2-16.2000111.1N308 G325 F326N308-N323 WeakPolarHBondContact O-CB 3.23Å; N308-N323 PolarHBondContact O-N 3.43Å; N323-G325 PolarHBondContact O-N 3.37Å; N323-F326 HydrophobicContact CB-CD2 4.18Å; N323-F326 WeakPolarHBondContact O-CB 3.35Å; N323-F326 PolarHBondContact O-N 3.37Å
324E79.7Confident81.2Confident164 Ų16473.6 Ų73.677%0.76638%0.376SS*.THydrogen-bonded Turntrans-56.3133.1177.2-162.9-162.9138.600111.4R360E324-R360 IonicContact OE1-NH1 2.66Å; E324-R360 PolarHBondContact OE1-NH1 2.88Å; E324-R360 IonicContact OE1-NH2 3.68Å
325G67.3Low81.5Confident21 Ų2167.6 Ų67.622%0.21636%0.356CS..THydrogen-bonded Turntrans94.7-10.6-17500000114.5N323 K338N323-G325 PolarHBondContact O-N 3.37Å; G325-K338 WeakPolarHBondContact O-CB 3.31Å; G325-K338 PolarHBondContact O-N 3.36Å
326F79.6Confident81.8Confident34 Ų3470.5 Ų70.515%0.14936%0.361CS..EExtended strand (participates in β ladder)trans-111.1156.6176.2-62.1-96.3000111.6N308 C322 N323 C335 Q336 Y337N308-F326 HydrophobicContact CB-CD1 3.71Å; N308-F326 HydrophobicContact CB-CD2 3.99Å; N308-F326 HydrophobicContact CB-CE1 3.4Å; N308-F326 VanDerWaalsContact CB-CE1 3.4Å; N308-F326 HydrophobicContact CB-CE2 3.71Å; N308-F326 HydrophobicContact CB-CG 3.99Å; N308-F326 HydrophobicContact CB-CZ 3.39Å; N308-F326 VanDerWaalsContact CG-CE1 3.44Å; N308-F326 WeakPolarHBondContact ND2-CE1 3.09Å; N308-F326 VanDerWaalsContact ND2-CZ 3.32Å; N308-F326 WeakPolarHBondContact ND2-CZ 3.42Å; C322-F326 HydrophobicContact CB-CB 3.79Å; N323-F326 HydrophobicContact CB-CD2 4.18Å; N323-F326 WeakPolarHBondContact O-CB 3.35Å; N323-F326 PolarHBondContact O-N 3.37Å; F326-C335 HydrophobicContact CB-CB 4.09Å; F326-C335 HydrophobicContact CD1-CB 4.34Å; F326-C335 HydrophobicContact CG-CB 4.46Å; F326-Q336 CarbonylContact C-O 3.6Å; F326-Q336 WeakPolarHBondContact CA-O 3.46Å; F326-Q336 WeakPolarHBondContact CB-O 3.46Å; F326-Y337 AromaticContact CD1-CD1 3.83Å; F326-Y337 HydrophobicContact CD1-CD1 3.83Å; F326-Y337 AromaticContact CD1-CE1 3.94Å; F326-Y337 HydrophobicContact CD1-CE1 3.94Å; F326-Y337 HydrophobicContact CD1-CG 4.34Å; F326-Y337 AromaticContact CE1-CD1 3.41Å; F326-Y337 HydrophobicContact CE1-CD1 3.41Å; F326-Y337 VanDerWaalsContact CE1-CD1 3.41Å; F326-Y337 HydrophobicContact CE1-CD2 4.36Å; F326-Y337 AromaticContact CE1-CE1 3.04Å; F326-Y337 HydrophobicContact CE1-CE1 3.04Å; F326-Y337 HydrophobicContact CE1-CE2 4.09Å; F326-Y337 HydrophobicContact CE1-CG 4.07Å; F326-Y337 AromaticContact CE1-CZ 3.46Å; F326-Y337 VanDerWaalsContact CE1-CZ 3.46Å; F326-Y337 HydrophobicContact CE2-CD1 4.46Å; F326-Y337 AromaticContact CE2-CE1 3.98Å; F326-Y337 HydrophobicContact CE2-CE1 3.98Å; F326-Y337 AromaticContact CZ-CD1 3.78Å; F326-Y337 HydrophobicContact CZ-CD1 3.78Å; F326-Y337 AromaticContact CZ-CE1 3.07Å; F326-Y337 HydrophobicContact CZ-CE1 3.07Å; F326-Y337 AromaticContact CZ-CZ 3.65Å
327E79.3Confident81.8Confident75 Ų7568.3 Ų68.335%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-125.5151.9170.262.9-179.5-153.500109.6C335 Q336E327-C335 CarbonylContact O-C 3.57Å; E327-C335 WeakPolarHBondContact O-CA 3.25Å; E327-Q336 HydrophobicContact CG-CG 3.56Å; E327-Q336 PolarHBondContact N-O 3.19Å; E327-Q336 PolarHBondContact O-N 2.89Å; E327-Q336 PolarHBondContact OE1-NE2 3.33Å
328P83.1Confident81.3Confident61 Ų6172.3 Ų72.340%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-72145176.629.8-34.2000111C322 R332 T334C322-P328 VanDerWaalsContact SG-CA 3.58Å; P328-R332 HydrophobicContact CB-CB 4.42Å; P328-R332 HydrophobicContact CB-CG 4.24Å; P328-T334 WeakPolarHBondContact CA-O 3.02Å
329S81.8Confident80.1Confident12 Ų1274.2 Ų74.28%0.08437%0.374CS..  trans-59.8165.1164.451.90000111.8D331 R332 K333 T334S329-D331 WeakPolarHBondContact CB-OD1 3.4Å; S329-D331 PolarHBondContact O-N 2.96Å; S329-D331 PolarHBondContact OG-OD1 2.8Å; S329-R332 WeakPolarHBondContact O-CA 3.38Å; S329-R332 PolarHBondContact O-N 3.46Å; S329-K333 PolarHBondContact OG-N 3.36Å; S329-T334 VanDerWaalsContact CB-OG1 3.26Å; S329-T334 WeakPolarHBondContact CB-OG1 3.47Å; S329-T334 PolarHBondContact N-O 2.04Å; S329-T334 PolarHBondContact OG-N 3.07Å; S329-T334 PolarHBondContact OG-O 3.48Å; S329-T334 PolarHBondContact OG-OG1 3.39Å
330E82.2Confident78.8Confident202 Ų20275.2 Ų75.294%0.94438%0.381SS*.THydrogen-bonded Turntrans-56.2-36.2-177.7-169.6172-161.500113.1R332E330-R332 VanDerWaalsContact C-N 3.32Å
331D83.7Confident77.8Confident104 Ų10476.7 Ų76.756%0.55639%0.388SS*.THydrogen-bonded Turntrans-83.1-2.8174.568.5-7.4000114.5S329 K333S329-D331 WeakPolarHBondContact CB-OD1 3.4Å; S329-D331 PolarHBondContact O-N 2.96Å; S329-D331 PolarHBondContact OG-OD1 2.8Å; D331-K333 HydrophobicContact CB-CG 3.97Å; D331-K333 PolarHBondContact O-N 2.86Å; D331-K333 WeakPolarHBondContact OD1-CB 3.46Å; D331-K333 PolarHBondContact OD1-N 3.32Å; D331-K333 VanDerWaalsContact OD2-CB 3.29Å; D331-K333 WeakPolarHBondContact OD2-CB 3.05Å; D331-K333 WeakPolarHBondContact OD2-CG 3.34Å
332R85.1Confident77.2Confident145 Ų14574.2 Ų74.255%0.54737%0.374SS..SBendtrans54.425.9-172.7-54-175.7175.5-157.7-3.6114.7E319 C320 P328 S329 E330E319-R332 CarbonylContact C-O 3.59Å; E319-R332 WeakPolarHBondContact CA-O 3.41Å; E319-R332 HydrophobicContact CB-CB 4.28Å; C320-R332 PolarHBondContact N-O 3.12Å; P328-R332 HydrophobicContact CB-CB 4.42Å; P328-R332 HydrophobicContact CB-CG 4.24Å; S329-R332 WeakPolarHBondContact O-CA 3.38Å; S329-R332 PolarHBondContact O-N 3.46Å; E330-R332 VanDerWaalsContact C-N 3.32Å
333K84.3Confident76.5Confident37 Ų3776.6 Ų76.616%0.16139%0.391CS..SBendtrans-93.7-16.1179.8-60.2-51.8-156.7159.10114.9T317 Y318 C320 S329 D331T317-K333 PolarHBondContact OG1-NZ 2.94Å; Y318-K333 HydrophobicContact CD2-CD 4.1Å; Y318-K333 HydrophobicContact CE1-CD 4.16Å; Y318-K333 VanDerWaalsContact CE1-NZ 3.31Å; Y318-K333 HydrophobicContact CE2-CB 4.28Å; Y318-K333 HydrophobicContact CE2-CD 3.65Å; Y318-K333 WeakPolarHBondContact O-CE 3.37Å; Y318-K333 PolarHBondContact O-NZ 3.01Å; C320-K333 VanDerWaalsContact SG-C 3.55Å; C320-K333 PolarHBondContact SG-O 2.91Å; S329-K333 PolarHBondContact OG-N 3.36Å; D331-K333 HydrophobicContact CB-CG 3.97Å; D331-K333 PolarHBondContact O-N 2.86Å; D331-K333 WeakPolarHBondContact OD1-CB 3.46Å; D331-K333 PolarHBondContact OD1-N 3.32Å; D331-K333 VanDerWaalsContact OD2-CB 3.29Å; D331-K333 WeakPolarHBondContact OD2-CB 3.05Å; D331-K333 WeakPolarHBondContact OD2-CG 3.34Å
334T84Confident75.7Confident75 Ų7576.9 Ų76.946%0.4640%0.395SS..SBendtrans-138.5162179.867.20000110.7P328 S329P328-T334 WeakPolarHBondContact CA-O 3.02Å; S329-T334 VanDerWaalsContact CB-OG1 3.26Å; S329-T334 WeakPolarHBondContact CB-OG1 3.47Å; S329-T334 PolarHBondContact N-O 2.04Å; S329-T334 PolarHBondContact OG-N 3.07Å; S329-T334 PolarHBondContact OG-O 3.48Å; S329-T334 PolarHBondContact OG-OG1 3.39Å
335C84.6Confident75.1Confident12 Ų1273 Ų738%0.08138%0.377CS..EExtended strand (participates in β ladder)trans-114.5107176.9-67.40000109.1K307 N308 C322 F326 E327K307-C335 WeakPolarHBondContact O-CB 3.24Å; N308-C335 HydrophobicContact CB-CB 4.32Å; C322-C335 WeakPolarHBondContact CA-SG 3.48Å; C322-C335 HydrophobicContact CB-CB 3.66Å; C322-C335 WeakPolarHBondContact CB-SG 3.49Å; C322-C335 WeakPolarHBondContact SG-CA 3.48Å; C322-C335 WeakPolarHBondContact SG-CB 3.45Å; C322-C335 CovalentContact SG-SG 2.04Å; C322-C335 PolarHBondContact SG-SG 2.87Å; F326-C335 HydrophobicContact CB-CB 4.09Å; F326-C335 HydrophobicContact CD1-CB 4.34Å; F326-C335 HydrophobicContact CG-CB 4.46Å; E327-C335 CarbonylContact O-C 3.57Å; E327-C335 WeakPolarHBondContact O-CA 3.25Å
336Q75.6Confident75Confident90 Ų9082.2 Ų82.242%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-93.6160.2178.568.3-170.428.100110.4F326 E327F326-Q336 CarbonylContact C-O 3.6Å; F326-Q336 WeakPolarHBondContact CA-O 3.46Å; F326-Q336 WeakPolarHBondContact CB-O 3.46Å; E327-Q336 HydrophobicContact CG-CG 3.56Å; E327-Q336 PolarHBondContact N-O 3.19Å; E327-Q336 PolarHBondContact O-N 2.89Å; E327-Q336 PolarHBondContact OE1-NE2 3.33Å
337Y66.5Low74.3Confident58 Ų5883.8 Ų83.823%0.22743%0.43CS..EExtended strand (participates in β ladder)trans-72.4135.3178.9-71-70.5000111.3F326 V339 P357 G359F326-Y337 AromaticContact CD1-CD1 3.83Å; F326-Y337 HydrophobicContact CD1-CD1 3.83Å; F326-Y337 AromaticContact CD1-CE1 3.94Å; F326-Y337 HydrophobicContact CD1-CE1 3.94Å; F326-Y337 HydrophobicContact CD1-CG 4.34Å; F326-Y337 AromaticContact CE1-CD1 3.41Å; F326-Y337 HydrophobicContact CE1-CD1 3.41Å; F326-Y337 VanDerWaalsContact CE1-CD1 3.41Å; F326-Y337 HydrophobicContact CE1-CD2 4.36Å; F326-Y337 AromaticContact CE1-CE1 3.04Å; F326-Y337 HydrophobicContact CE1-CE1 3.04Å; F326-Y337 HydrophobicContact CE1-CE2 4.09Å; F326-Y337 HydrophobicContact CE1-CG 4.07Å; F326-Y337 AromaticContact CE1-CZ 3.46Å; F326-Y337 VanDerWaalsContact CE1-CZ 3.46Å; F326-Y337 HydrophobicContact CE2-CD1 4.46Å; F326-Y337 AromaticContact CE2-CE1 3.98Å; F326-Y337 HydrophobicContact CE2-CE1 3.98Å; F326-Y337 AromaticContact CZ-CD1 3.78Å; F326-Y337 HydrophobicContact CZ-CD1 3.78Å; F326-Y337 AromaticContact CZ-CE1 3.07Å; F326-Y337 HydrophobicContact CZ-CE1 3.07Å; F326-Y337 AromaticContact CZ-CZ 3.65Å; Y337-V339 PolarHBondContact O-N 3.11Å; Y337-P357 HydrophobicContact CD2-CB 3.75Å; Y337-P357 HydrophobicContact CD2-CG 3.76Å; Y337-P357 HydrophobicContact CE2-CB 3.74Å; Y337-P357 HydrophobicContact CE2-CG 3.66Å; Y337-P357 VanDerWaalsContact CE2-O 3.29Å; Y337-P357 WeakPolarHBondContact CE2-O 3.07Å; Y337-P357 HydrophobicContact CG-CB 4.46Å; Y337-P357 PolarHBondContact OH-O 2.92Å; Y337-G359 VanDerWaalsContact CE1-CA 3.43Å
338K63.5Low74Confident151 Ų15189.6 Ų89.666%0.65745%0.451SS*.SBendtrans-63.8-23.1176-172.1173.6-177.4176.70113.1G325G325-K338 WeakPolarHBondContact O-CB 3.31Å; G325-K338 PolarHBondContact O-N 3.36Å
339V61.1Low73.8Confident93 Ų9388.4 Ų88.456%0.56444%0.441SS*.SBendtrans-141.9107.1168.2-178.70000107.5Y337 I341 V344Y337-V339 PolarHBondContact O-N 3.11Å; V339-I341 PolarHBondContact O-N 2.64Å; V339-V344 HydrophobicContact CG1-CG2 4.17Å
340D62.1Low73.8Confident51 Ų5188.2 Ų88.227%0.27344%0.44SS..  trans-79.696.9168.3178.29000109.9C342 S343 V344D340-C342 PolarHBondContact O-N 3Å; D340-C342 WeakPolarHBondContact OD1-CA 3.19Å; D340-C342 VanDerWaalsContact OD1-CB 3.31Å; D340-C342 WeakPolarHBondContact OD1-CB 3.05Å; D340-C342 PolarHBondContact OD1-N 3.02Å; D340-S343 PolarHBondContact O-N 3.18Å; D340-S343 VanDerWaalsContact O-N 3.16Å; D340-S343 PolarHBondContact OD1-N 3.42Å; D340-S343 VanDerWaalsContact OD2-CB 3.23Å; D340-S343 WeakPolarHBondContact OD2-CB 3.06Å; D340-S343 PolarHBondContact OD2-N 2.74Å; D340-S343 PolarHBondContact OD2-OG 2.84Å; D340-V344 WeakPolarHBondContact O-CG2 3.47Å; D340-V344 PolarHBondContact O-N 3.49Å
341I69.4Low73.9Confident37 Ų3783 Ų8319%0.1942%0.422CS..Hα-helixtrans-58.8-31177.3-167.9160.6000112.6V339 V344 H345 L349 P357 F362V339-I341 PolarHBondContact O-N 2.64Å; I341-V344 PolarHBondContact O-N 2.04Å; I341-H345 PolarHBondContact O-CD2 2.67Å; I341-H345 PolarHBondContact O-N 2.83Å; I341-L349 HydrophobicContact CG1-CD1 4.36Å; I341-P357 HydrophobicContact CG2-CB 4.48Å; I341-F362 HydrophobicContact CD1-CD1 3.98Å; I341-F362 HydrophobicContact CG1-CD1 4.44Å; I341-F362 HydrophobicContact CG2-CB 3.74Å; I341-F362 HydrophobicContact CG2-CD1 4.46Å; I341-F362 HydrophobicContact CG2-CG 4.46Å
342C75.1Confident73.8Confident20 Ų2081.7 Ų81.714%0.13541%0.414CS..Hα-helixtrans-69.7-41176.2-60.90000111.3D340 R346 C355D340-C342 PolarHBondContact O-N 3Å; D340-C342 WeakPolarHBondContact OD1-CA 3.19Å; D340-C342 VanDerWaalsContact OD1-CB 3.31Å; D340-C342 WeakPolarHBondContact OD1-CB 3.05Å; D340-C342 PolarHBondContact OD1-N 3.02Å; C342-R346 PolarHBondContact O-N 3.42Å; C342-C355 VanDerWaalsContact CA-SG 3.54Å; C342-C355 HydrophobicContact CB-CB 3.71Å; C342-C355 WeakPolarHBondContact CB-SG 3.46Å; C342-C355 WeakPolarHBondContact SG-CB 3.09Å; C342-C355 CovalentContact SG-SG 2.04Å; C342-C355 PolarHBondContact SG-SG 2.95Å
343S72.9Confident73.9Confident79 Ų7975.8 Ų75.855%0.55240%0.399SS*.Hα-helixtrans-67.8-39.9173.1-73.40000112.8D340 H345 R346D340-S343 PolarHBondContact O-N 3.18Å; D340-S343 VanDerWaalsContact O-N 3.16Å; D340-S343 PolarHBondContact OD1-N 3.42Å; D340-S343 VanDerWaalsContact OD2-CB 3.23Å; D340-S343 WeakPolarHBondContact OD2-CB 3.06Å; D340-S343 PolarHBondContact OD2-N 2.74Å; D340-S343 PolarHBondContact OD2-OG 2.84Å; S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact O-N 2.92Å; S343-R346 WeakPolarHBondContact O-CG 3.43Å; S343-R346 PolarHBondContact O-N 3.47Å
344V69.9Low74.2Confident94 Ų9480 Ų8057%0.5742%0.419SS*.Hα-helixtrans-60.6-42.8176.5169.90000111.3V339 D340 I341V339-V344 HydrophobicContact CG1-CG2 4.17Å; D340-V344 WeakPolarHBondContact O-CG2 3.47Å; D340-V344 PolarHBondContact O-N 3.49Å; I341-V344 PolarHBondContact O-N 2.04Å
345H67Low74.4Confident82 Ų8277.6 Ų77.638%0.3841%0.405SS..THydrogen-bonded Turntrans-88.97.1-179.4-70-75.1000114.9I341 S343 G347 Y348 L349I341-H345 PolarHBondContact O-CD2 2.67Å; I341-H345 PolarHBondContact O-N 2.83Å; S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact O-N 2.92Å; H345-G347 VanDerWaalsContact C-N 3.25Å; H345-G347 PolarHBondContact O-N 2.79Å; H345-Y348 WeakPolarHBondContact O-CB 3.09Å; H345-Y348 WeakPolarHBondContact O-CD2 3.03Å; H345-Y348 PolarHBondContact O-N 3.19Å; H345-L349 HydrophobicContact CB-CD1 3.76Å; H345-L349 HydrophobicContact CB-CD2 4.44Å; H345-L349 HydrophobicContact CB-CG 3.64Å
346R65.4Low74.5Confident215 Ų21579 Ų7981%0.81141%0.411SS*.THydrogen-bonded Turntrans4539.9164.6-61-177.2177.4155.1-0.2116C342 S343C342-R346 PolarHBondContact O-N 3.42Å; S343-R346 WeakPolarHBondContact O-CG 3.43Å; S343-R346 PolarHBondContact O-N 3.47Å
347G63.6Low74.4Confident66 Ų6676.2 Ų76.268%0.6840%0.401SS*.THydrogen-bonded Turntrans81.46.2179.500000116.3H345 L349H345-G347 VanDerWaalsContact C-N 3.25Å; H345-G347 PolarHBondContact O-N 2.79Å; G347-L349 PolarHBondContact O-N 3.03Å
348Y73.1Confident74.5Confident197 Ų19775.2 Ų75.277%0.77341%0.405SS*.  trans-75.7-9.9169.2-64.3-64.3000113.5H345H345-Y348 WeakPolarHBondContact O-CB 3.09Å; H345-Y348 WeakPolarHBondContact O-CD2 3.03Å; H345-Y348 PolarHBondContact O-N 3.19Å
349L78.8Confident74.6Confident36 Ų3669.1 Ų69.119%0.18839%0.385CS..SBendtrans-93.7150.3172.6-62178.9000110.4I341 H345 G347 C355 F362I341-L349 HydrophobicContact CG1-CD1 4.36Å; H345-L349 HydrophobicContact CB-CD1 3.76Å; H345-L349 HydrophobicContact CB-CD2 4.44Å; H345-L349 HydrophobicContact CB-CG 3.64Å; G347-L349 PolarHBondContact O-N 3.03Å; L349-C355 HydrophobicContact CB-CB 4.33Å; L349-F362 HydrophobicContact CB-CE2 4.22Å; L349-F362 HydrophobicContact CD1-CD1 4.12Å; L349-F362 HydrophobicContact CD1-CD2 3.99Å; L349-F362 HydrophobicContact CD1-CE1 4.14Å; L349-F362 HydrophobicContact CD1-CE2 4.01Å; L349-F362 HydrophobicContact CD1-CG 4.05Å; L349-F362 HydrophobicContact CD1-CZ 4.09Å; L349-F362 HydrophobicContact CD2-CE1 4.32Å; L349-F362 HydrophobicContact CD2-CE2 4.01Å; L349-F362 HydrophobicContact CD2-CZ 3.75Å; L349-F362 HydrophobicContact CG-CE2 4.3Å; L349-F362 HydrophobicContact CG-CZ 4.41Å
350C83.2Confident74.8Confident9 Ų974.7 Ų74.76%0.06140%0.396CS..SBendtrans58.955.5176.5-51.60000113.7N352 G353 C355 C364C350-N352 PolarHBondContact O-N 2.78Å; C350-G353 CarbonylContact O-C 3.43Å; C350-G353 PolarHBondContact O-N 2.99Å; C350-C355 HydrophobicContact CB-CB 4.4Å; C350-C355 VanDerWaalsContact SG-CA 3.56Å; C350-C364 WeakPolarHBondContact CA-SG 3.49Å; C350-C364 HydrophobicContact CB-CB 3.68Å; C350-C364 WeakPolarHBondContact CB-SG 3.4Å; C350-C364 WeakPolarHBondContact SG-CA 3.15Å; C350-C364 WeakPolarHBondContact SG-CB 3.3Å; C350-C364 CovalentContact SG-SG 2.03Å; C350-C364 PolarHBondContact SG-SG 2.75Å
351T82.5Confident75.2Confident93 Ų9375.3 Ų75.357%0.57140%0.399SS*.THydrogen-bonded Turntrans-50.5125.8166.249.70000109.8C379T351-C379 WeakPolarHBondContact O-CB 3.44Å
352N83.2Confident75.8Confident75 Ų7574.9 Ų74.940%0.40140%0.396SS..THydrogen-bonded Turntrans64.630.8-172.6-50.1-44.7000115.4C350 N367 F370C350-N352 PolarHBondContact O-N 2.78Å; N352-N367 WeakPolarHBondContact O-CB 3.49Å; N352-N367 PolarHBondContact O-N 3.45Å; N352-F370 HydrophobicContact CB-CD1 3.62Å; N352-F370 HydrophobicContact CB-CD2 3.72Å; N352-F370 HydrophobicContact CB-CE1 3.59Å; N352-F370 HydrophobicContact CB-CE2 3.68Å; N352-F370 HydrophobicContact CB-CG 3.69Å; N352-F370 HydrophobicContact CB-CZ 3.61Å; N352-F370 VanDerWaalsContact CG-CE1 3.45Å; N352-F370 VanDerWaalsContact CG-CZ 3.41Å; N352-F370 WeakPolarHBondContact ND2-CE1 3.5Å
353G86.9Confident76.4Confident21 Ų2177.9 Ų77.922%0.21641%0.407CS..EExtended strand (participates in β ladder)trans-161.6-170.5171.300000113.2C350 E365C350-G353 CarbonylContact O-C 3.43Å; C350-G353 PolarHBondContact O-N 2.99Å; G353-E365 CarbonylContact C-O 3.45Å; G353-E365 WeakPolarHBondContact CA-O 3.46Å
354Q90.5Very high77.2Confident125 Ų12574.2 Ų74.258%0.58438%0.381SS*.EExtended strand (participates in β ladder)trans-108.6131.6175.8-178.6171.1-23.600110C364 E365Q354-C364 WeakPolarHBondContact O-CA 3.02Å; Q354-E365 PolarHBondContact N-O 2.69Å; Q354-E365 PolarHBondContact O-N 2.82Å
355C87.5Confident78.2Confident25 Ų2575.1 Ų75.117%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-77.7130.4173.3-175.80000110.4C342 L349 C350C342-C355 VanDerWaalsContact CA-SG 3.54Å; C342-C355 HydrophobicContact CB-CB 3.71Å; C342-C355 WeakPolarHBondContact CB-SG 3.46Å; C342-C355 WeakPolarHBondContact SG-CB 3.09Å; C342-C355 CovalentContact SG-SG 2.04Å; C342-C355 PolarHBondContact SG-SG 2.95Å; L349-C355 HydrophobicContact CB-CB 4.33Å; C350-C355 HydrophobicContact CB-CB 4.4Å; C350-C355 VanDerWaalsContact SG-CA 3.56Å
356I86.4Confident79.3Confident42 Ų4272.8 Ų72.822%0.21537%0.372CS..EExtended strand (participates in β ladder)trans-119.3117.9176.6-58.2171.6000108.9F362 F363 E365I356-F362 WeakPolarHBondContact O-CA 3.47Å; I356-F363 HydrophobicContact CB-CD1 4.37Å; I356-F363 HydrophobicContact CB-CD2 4.21Å; I356-F363 HydrophobicContact CB-CE1 4.02Å; I356-F363 HydrophobicContact CB-CE2 3.86Å; I356-F363 HydrophobicContact CB-CG 4.46Å; I356-F363 HydrophobicContact CB-CZ 3.76Å; I356-F363 HydrophobicContact CD1-CD2 4.21Å; I356-F363 HydrophobicContact CD1-CE2 3.52Å; I356-F363 HydrophobicContact CD1-CZ 4.01Å; I356-F363 HydrophobicContact CG1-CE2 4.25Å; I356-F363 HydrophobicContact CG1-CZ 4.49Å; I356-F363 HydrophobicContact CG2-CD1 4.46Å; I356-F363 HydrophobicContact CG2-CE1 3.68Å; I356-F363 HydrophobicContact CG2-CE2 4.02Å; I356-F363 HydrophobicContact CG2-CZ 3.42Å; I356-F363 VanDerWaalsContact CG2-CZ 3.42Å; I356-F363 PolarHBondContact N-O 3.38Å; I356-F363 PolarHBondContact O-N 3.37Å; I356-E365 HydrophobicContact CD1-CB 3.66Å
357P74.5Confident80.5Confident31 Ų3166.3 Ų66.320%0.20135%0.353CS..EExtended strand (participates in β ladder)trans-73.5139.1-179.226.4-30.2000111.8Y337 I341Y337-P357 HydrophobicContact CD2-CB 3.75Å; Y337-P357 HydrophobicContact CD2-CG 3.76Å; Y337-P357 HydrophobicContact CE2-CB 3.74Å; Y337-P357 HydrophobicContact CE2-CG 3.66Å; Y337-P357 VanDerWaalsContact CE2-O 3.29Å; Y337-P357 WeakPolarHBondContact CE2-O 3.07Å; Y337-P357 HydrophobicContact CG-CB 4.46Å; Y337-P357 PolarHBondContact OH-O 2.92Å; I341-P357 HydrophobicContact CG2-CB 4.48Å
358A68.5Low81.7Confident38 Ų3868.9 Ų68.931%0.31436%0.358SS..EExtended strand (participates in β ladder)trans-138.467.2-172.700000111.6R360 D361 F363A358-R360 PolarHBondContact O-N 2.02Å; A358-D361 CarbonylContact C-O 3.48Å; A358-D361 WeakPolarHBondContact CA-O 3.43Å; A358-D361 PolarHBondContact N-O 3.3Å; A358-D361 PolarHBondContact O-N 2.03Å; A358-F363 HydrophobicContact CB-CD1 3.92Å; A358-F363 HydrophobicContact CB-CE1 4.09Å
359G66.1Low82.2Confident23 Ų2361.2 Ų61.224%0.23734%0.339CS..THydrogen-bonded Turntrans78.8-100.5174.400000112Y337Y337-G359 VanDerWaalsContact CE1-CA 3.43Å
360R63.9Low82.7Confident209 Ų20960.4 Ų60.479%0.78933%0.334SS*.THydrogen-bonded Turntrans-103.55.4169.5-69.6-170-78.6-110.5-0.5112.4E324 A358E324-R360 IonicContact OE1-NH1 2.66Å; E324-R360 PolarHBondContact OE1-NH1 2.88Å; E324-R360 IonicContact OE1-NH2 3.68Å; A358-R360 PolarHBondContact O-N 2.02Å
361D71.4Confident83Confident64 Ų6462.1 Ų62.134%0.34234%0.344SS..EExtended strand (participates in β ladder)trans-128-179.5-176.8-151.2-18000111.1A358 R377A358-D361 CarbonylContact C-O 3.48Å; A358-D361 WeakPolarHBondContact CA-O 3.43Å; A358-D361 PolarHBondContact N-O 3.3Å; A358-D361 PolarHBondContact O-N 2.03Å; D361-R377 IonicContact OD1-CZ 3.17Å; D361-R377 IonicContact OD1-NE 3.77Å; D361-R377 PolarHBondContact OD1-NE 3.19Å; D361-R377 IonicContact OD1-NH2 2.65Å; D361-R377 PolarHBondContact OD1-NH2 3.21Å; D361-R377 IonicContact OD2-CZ 2.72Å; D361-R377 IonicContact OD2-NH2 2.98Å; D361-R377 PolarHBondContact OD2-NH2 2.84Å
362F81.7Confident83.3Confident28 Ų2861.2 Ų61.212%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-141.5162172.268.5-76.2000111.2I341 L349 I356 R377I341-F362 HydrophobicContact CD1-CD1 3.98Å; I341-F362 HydrophobicContact CG1-CD1 4.44Å; I341-F362 HydrophobicContact CG2-CB 3.74Å; I341-F362 HydrophobicContact CG2-CD1 4.46Å; I341-F362 HydrophobicContact CG2-CG 4.46Å; L349-F362 HydrophobicContact CB-CE2 4.22Å; L349-F362 HydrophobicContact CD1-CD1 4.12Å; L349-F362 HydrophobicContact CD1-CD2 3.99Å; L349-F362 HydrophobicContact CD1-CE1 4.14Å; L349-F362 HydrophobicContact CD1-CE2 4.01Å; L349-F362 HydrophobicContact CD1-CG 4.05Å; L349-F362 HydrophobicContact CD1-CZ 4.09Å; L349-F362 HydrophobicContact CD2-CE1 4.32Å; L349-F362 HydrophobicContact CD2-CE2 4.01Å; L349-F362 HydrophobicContact CD2-CZ 3.75Å; L349-F362 HydrophobicContact CG-CE2 4.3Å; L349-F362 HydrophobicContact CG-CZ 4.41Å; I356-F362 WeakPolarHBondContact O-CA 3.47Å; F362-R377 HydrophobicContact CE1-CG 4.43Å; F362-R377 HydrophobicContact CE2-CB 3.99Å; F362-R377 HydrophobicContact CE2-CG 4.1Å; F362-R377 HydrophobicContact CZ-CB 3.99Å; F362-R377 HydrophobicContact CZ-CG 3.97Å
363F87.1Confident83.3Confident84 Ų8458.2 Ų58.237%0.36832%0.32SS..EExtended strand (participates in β ladder)trans-137.4161.9164.162.1-84.5000110.4I356 A358 R376I356-F363 HydrophobicContact CB-CD1 4.37Å; I356-F363 HydrophobicContact CB-CD2 4.21Å; I356-F363 HydrophobicContact CB-CE1 4.02Å; I356-F363 HydrophobicContact CB-CE2 3.86Å; I356-F363 HydrophobicContact CB-CG 4.46Å; I356-F363 HydrophobicContact CB-CZ 3.76Å; I356-F363 HydrophobicContact CD1-CD2 4.21Å; I356-F363 HydrophobicContact CD1-CE2 3.52Å; I356-F363 HydrophobicContact CD1-CZ 4.01Å; I356-F363 HydrophobicContact CG1-CE2 4.25Å; I356-F363 HydrophobicContact CG1-CZ 4.49Å; I356-F363 HydrophobicContact CG2-CD1 4.46Å; I356-F363 HydrophobicContact CG2-CE1 3.68Å; I356-F363 HydrophobicContact CG2-CE2 4.02Å; I356-F363 HydrophobicContact CG2-CZ 3.42Å; I356-F363 VanDerWaalsContact CG2-CZ 3.42Å; I356-F363 PolarHBondContact N-O 3.38Å; I356-F363 PolarHBondContact O-N 3.37Å; A358-F363 HydrophobicContact CB-CD1 3.92Å; A358-F363 HydrophobicContact CB-CE1 4.09Å; F363-R376 CarbonylContact C-O 3.48Å; F363-R376 VanDerWaalsContact CA-O 3.31Å; F363-R376 WeakPolarHBondContact CA-O 3.33Å; F363-R376 HydrophobicContact CB-CB 4.16Å
364C89.6Confident83.2Confident2 Ų268.3 Ų68.31%0.01435%0.353CS..EExtended strand (participates in β ladder)trans-100.5139.2177.7-57.10000111.5C350 Q354 L372 R376 R377C350-C364 WeakPolarHBondContact CA-SG 3.49Å; C350-C364 HydrophobicContact CB-CB 3.68Å; C350-C364 WeakPolarHBondContact CB-SG 3.4Å; C350-C364 WeakPolarHBondContact SG-CA 3.15Å; C350-C364 WeakPolarHBondContact SG-CB 3.3Å; C350-C364 CovalentContact SG-SG 2.03Å; C350-C364 PolarHBondContact SG-SG 2.75Å; Q354-C364 WeakPolarHBondContact O-CA 3.02Å; C364-L372 HydrophobicContact CB-CD1 3.99Å; C364-L372 VanDerWaalsContact O-CD1 3.25Å; C364-L372 WeakPolarHBondContact O-CD1 3.28Å; C364-R376 PolarHBondContact N-O 2.78Å; C364-R377 PolarHBondContact SG-O 2.98Å
365E90.7Very high82.7Confident113 Ų11366.3 Ų66.353%0.52835%0.347SS..EExtended strand (participates in β ladder)trans-103.5116.1161.1177.9166.8-141.700107.7G353 Q354 I356G353-E365 CarbonylContact C-O 3.45Å; G353-E365 WeakPolarHBondContact CA-O 3.46Å; Q354-E365 PolarHBondContact N-O 2.69Å; Q354-E365 PolarHBondContact O-N 2.82Å; I356-E365 HydrophobicContact CD1-CB 3.66Å
366C91.7Very high82.7Confident32 Ų3272.8 Ų72.822%0.21637%0.367CS..EExtended strand (participates in β ladder)trans-82.9144.8-169.4-59.30000112.6F370 C379C366-F370 HydrophobicContact CB-CB 4.1Å; C366-F370 WeakPolarHBondContact CB-O 3.18Å; C366-C379 WeakPolarHBondContact CA-SG 3.43Å; C366-C379 HydrophobicContact CB-CB 3.76Å; C366-C379 WeakPolarHBondContact CB-SG 3.46Å; C366-C379 VanDerWaalsContact SG-CA 3.51Å; C366-C379 WeakPolarHBondContact SG-CB 2.95Å; C366-C379 CovalentContact SG-SG 2.04Å; C366-C379 PolarHBondContact SG-SG 2.86Å
367N90.6Very high82.6Confident79 Ų7976 Ų7642%0.42238%0.377SS..PPolyproline II helixtrans-62.8152.6172.5-69.7-20.7000110N352 G369 F370N352-N367 WeakPolarHBondContact O-CB 3.49Å; N352-N367 PolarHBondContact O-N 3.45Å; N367-G369 PolarHBondContact O-N 2.94Å; N367-F370 HydrophobicContact CB-CD2 4.12Å; N367-F370 PolarHBondContact O-N 3.19Å
368P87.6Confident83.2Confident120 Ų12079.2 Ų79.278%0.77939%0.385SS*.THydrogen-bonded Turntrans-49.8131.1175.5-27.635.3000111.9
369G82.9Confident84.2Confident36 Ų3677.7 Ų77.737%0.37137%0.372SS..THydrogen-bonded Turntrans97.7-19.8-17700000115N367N367-G369 PolarHBondContact O-N 2.94Å
370F91Very high85.3Confident19 Ų1978 Ų788%0.08337%0.367CS..  trans-101.7146.2177.1-61.9-91.5000111.7N352 C366 N367 C379 M380 G402N352-F370 HydrophobicContact CB-CD1 3.62Å; N352-F370 HydrophobicContact CB-CD2 3.72Å; N352-F370 HydrophobicContact CB-CE1 3.59Å; N352-F370 HydrophobicContact CB-CE2 3.68Å; N352-F370 HydrophobicContact CB-CG 3.69Å; N352-F370 HydrophobicContact CB-CZ 3.61Å; N352-F370 VanDerWaalsContact CG-CE1 3.45Å; N352-F370 VanDerWaalsContact CG-CZ 3.41Å; N352-F370 WeakPolarHBondContact ND2-CE1 3.5Å; C366-F370 HydrophobicContact CB-CB 4.1Å; C366-F370 WeakPolarHBondContact CB-O 3.18Å; N367-F370 HydrophobicContact CB-CD2 4.12Å; N367-F370 PolarHBondContact O-N 3.19Å; F370-C379 HydrophobicContact CB-CB 4.07Å; F370-M380 WeakPolarHBondContact CA-O 3.44Å; F370-G402 VanDerWaalsContact CE2-N 3.28Å; F370-G402 VanDerWaalsContact CZ-CA 3.42Å
371T89.5Confident86.5Confident46 Ų4668.5 Ų68.528%0.28233%0.333SS..EExtended strand (participates in β ladder)trans-108.8149.5-178.449.20000112.2C379 M380 E385T371-C379 CarbonylContact O-C 3.54Å; T371-C379 WeakPolarHBondContact O-CA 3.39Å; T371-M380 PolarHBondContact N-O 3.45Å; T371-M380 PolarHBondContact O-N 3.25Å; T371-E385 WeakPolarHBondContact CB-OE2 3.34Å; T371-E385 WeakPolarHBondContact CG2-OE2 3.23Å; T371-E385 VanDerWaalsContact OG1-CD 3.25Å; T371-E385 PolarHBondContact OG1-OE2 3.37Å
372L87.6Confident87.3Confident74 Ų7468.5 Ų68.539%0.38733%0.33SS..EExtended strand (participates in β ladder)trans-82.4125.8-175-172.161.6000110.2C364 R376C364-L372 HydrophobicContact CB-CD1 3.99Å; C364-L372 VanDerWaalsContact O-CD1 3.25Å; C364-L372 WeakPolarHBondContact O-CD1 3.28Å; L372-R376 HydrophobicContact CD1-CB 4.29Å; L372-R376 HydrophobicContact CD2-CB 3.91Å; L372-R376 HydrophobicContact CD2-CG 3.77Å; L372-R376 HydrophobicContact CG-CB 4.17Å; L372-R376 HydrophobicContact CG-CG 4.23Å
373S84.5Confident87.6Confident11 Ų1168.1 Ų68.18%0.07733%0.331CS..  trans-56.5153.4172.9172.10000111.8D375 R376 R378S373-D375 WeakPolarHBondContact CB-OD1 3.33Å; S373-D375 PolarHBondContact O-N 2.96Å; S373-D375 VanDerWaalsContact O-N 3.12Å; S373-D375 PolarHBondContact OG-OD1 2.74Å; S373-R376 WeakPolarHBondContact O-CA 3.22Å; S373-R376 PolarHBondContact O-N 3.28Å; S373-R378 VanDerWaalsContact CB-O 3.3Å; S373-R378 WeakPolarHBondContact CB-O 3Å; S373-R378 PolarHBondContact N-O 2.85Å; S373-R378 PolarHBondContact OG-NE 3.14Å
374Y83.3Confident87.7Confident233 Ų23368.5 Ų68.591%0.91433%0.334SS*.THydrogen-bonded Turntrans-53-35.9-178.1-179.6-95.5000113.7R376Y374-R376 VanDerWaalsContact C-N 3.31Å
375D81.5Confident87.5Confident83 Ų8373.1 Ų73.144%0.44436%0.355SS..THydrogen-bonded Turntrans-81.2-4.8176.869.9-20.3000114.5S373 R377S373-D375 WeakPolarHBondContact CB-OD1 3.33Å; S373-D375 PolarHBondContact O-N 2.96Å; S373-D375 VanDerWaalsContact O-N 3.12Å; S373-D375 PolarHBondContact OG-OD1 2.74Å; D375-R377 PolarHBondContact O-N 2.81Å; D375-R377 PolarHBondContact OD1-N 3.47Å
376R87.2Confident87.1Confident161 Ų16172.7 Ų72.761%0.60836%0.356SS*.SBendtrans62.816.5-177.7-50.5-170.7-176.3-153.4-0.4116.2F363 C364 L372 S373 Y374F363-R376 CarbonylContact C-O 3.48Å; F363-R376 VanDerWaalsContact CA-O 3.31Å; F363-R376 WeakPolarHBondContact CA-O 3.33Å; F363-R376 HydrophobicContact CB-CB 4.16Å; C364-R376 PolarHBondContact N-O 2.78Å; L372-R376 HydrophobicContact CD1-CB 4.29Å; L372-R376 HydrophobicContact CD2-CB 3.91Å; L372-R376 HydrophobicContact CD2-CG 3.77Å; L372-R376 HydrophobicContact CG-CB 4.17Å; L372-R376 HydrophobicContact CG-CG 4.23Å; S373-R376 WeakPolarHBondContact O-CA 3.22Å; S373-R376 PolarHBondContact O-N 3.28Å; Y374-R376 VanDerWaalsContact C-N 3.31Å
377R83.8Confident86.7Confident109 Ų10972.1 Ų72.141%0.41136%0.355SS..SBendtrans-106.8-0.2-173.8-70.1173.4170.7-1672.9115.5D361 F362 C364 D375D361-R377 IonicContact OD1-CZ 3.17Å; D361-R377 IonicContact OD1-NE 3.77Å; D361-R377 PolarHBondContact OD1-NE 3.19Å; D361-R377 IonicContact OD1-NH2 2.65Å; D361-R377 PolarHBondContact OD1-NH2 3.21Å; D361-R377 IonicContact OD2-CZ 2.72Å; D361-R377 IonicContact OD2-NH2 2.98Å; D361-R377 PolarHBondContact OD2-NH2 2.84Å; F362-R377 HydrophobicContact CE1-CG 4.43Å; F362-R377 HydrophobicContact CE2-CB 3.99Å; F362-R377 HydrophobicContact CE2-CG 4.1Å; F362-R377 HydrophobicContact CZ-CB 3.99Å; F362-R377 HydrophobicContact CZ-CG 3.97Å; C364-R377 PolarHBondContact SG-O 2.98Å; D375-R377 PolarHBondContact O-N 2.81Å; D375-R377 PolarHBondContact OD1-N 3.47Å
378R86.7Confident86Confident100 Ų10074 Ų7438%0.37737%0.372SS..SBendtrans-152.2154.1176.765.9-171.8-168.399.74.5111.2S373 M380 E384S373-R378 VanDerWaalsContact CB-O 3.3Å; S373-R378 WeakPolarHBondContact CB-O 3Å; S373-R378 PolarHBondContact N-O 2.85Å; S373-R378 PolarHBondContact OG-NE 3.14Å; R378-M380 PolarHBondContact NH2-SD 3.34Å; R378-E384 IonicContact CZ-OE2 2.79Å; R378-E384 IonicContact NH1-OE2 2.75Å; R378-E384 PolarHBondContact NH1-OE2 3.09Å
379C89.6Confident85.8Confident5 Ų573.4 Ų73.43%0.03437%0.371CS..EExtended strand (participates in β ladder)trans-103.3121.9174.5-61.90000109.4T351 C366 F370 T371T351-C379 WeakPolarHBondContact O-CB 3.44Å; C366-C379 WeakPolarHBondContact CA-SG 3.43Å; C366-C379 HydrophobicContact CB-CB 3.76Å; C366-C379 WeakPolarHBondContact CB-SG 3.46Å; C366-C379 VanDerWaalsContact SG-CA 3.51Å; C366-C379 WeakPolarHBondContact SG-CB 2.95Å; C366-C379 CovalentContact SG-SG 2.04Å; C366-C379 PolarHBondContact SG-SG 2.86Å; F370-C379 HydrophobicContact CB-CB 4.07Å; T371-C379 CarbonylContact O-C 3.54Å; T371-C379 WeakPolarHBondContact O-CA 3.39Å
380M89Confident85.9Confident29 Ų2972.8 Ų72.814%0.14336%0.358CS..EExtended strand (participates in β ladder)trans-91.2142.7-176.8-68.3173.261.100110.2F370 T371 R378 E384 E385F370-M380 WeakPolarHBondContact CA-O 3.44Å; T371-M380 PolarHBondContact N-O 3.45Å; T371-M380 PolarHBondContact O-N 3.25Å; R378-M380 PolarHBondContact NH2-SD 3.34Å; M380-E384 HydrophobicContact CB-CB 4.17Å; M380-E384 HydrophobicContact CE-CB 3.83Å; M380-E384 WeakPolarHBondContact CE-O 3.45Å; M380-E384 HydrophobicContact CG-CB 4.47Å; M380-E385 HydrophobicContact CE-CB 4.46Å
381S89.2Confident85.8Confident10 Ų1072 Ų727%0.0736%0.355CS..PPolyproline II helixtrans-76.7160.3165.561.30000111.4C383 E384 E385S381-C383 PolarHBondContact O-N 2.04Å; S381-E384 PolarHBondContact N-OE1 3.46Å; S381-E384 WeakPolarHBondContact O-CB 3.46Å; S381-E384 PolarHBondContact O-N 3.4Å; S381-E384 WeakPolarHBondContact OG-CG 3.4Å; S381-E384 PolarHBondContact OG-N 3.31Å; S381-E384 PolarHBondContact OG-OE1 3.18Å; S381-E385 PolarHBondContact O-N 2.85Å
382K87.8Confident85.7Confident64 Ų6473.2 Ų73.228%0.27836%0.364SS..Hα-helixtrans-55-33.4173.2-68.5175.7-173.9-178.60113.1E384 E385 L386 I390 G402 D403 Y404K382-E384 VanDerWaalsContact C-N 3.32Å; K382-E384 PolarHBondContact O-N 3.31Å; K382-E385 PolarHBondContact O-N 3.14Å; K382-L386 WeakPolarHBondContact O-CB 3.38Å; K382-L386 PolarHBondContact O-N 3.13Å; K382-I390 HydrophobicContact CB-CD1 4.33Å; K382-G402 WeakPolarHBondContact CD-O 3.25Å; K382-G402 WeakPolarHBondContact CE-O 3.05Å; K382-G402 WeakPolarHBondContact CG-O 3.49Å; K382-D403 IonicContact NZ-OD1 2.93Å; K382-D403 PolarHBondContact NZ-OD1 3.2Å; K382-Y404 HydrophobicContact CB-CD1 4.11Å; K382-Y404 HydrophobicContact CD-CD1 3.73Å; K382-Y404 HydrophobicContact CD-CE1 4.23Å
383C88.9Confident85.7Confident21 Ų2173 Ų7314%0.14236%0.363CS..Hα-helixtrans-63.8-34.9175.2-60.30000112.8S381 G387 C396S381-C383 PolarHBondContact O-N 2.04Å; C383-G387 WeakPolarHBondContact O-CA 3.37Å; C383-G387 PolarHBondContact O-N 2.77Å; C383-C396 WeakPolarHBondContact CA-SG 3.21Å; C383-C396 HydrophobicContact CB-CB 3.74Å; C383-C396 WeakPolarHBondContact CB-SG 3.21Å; C383-C396 VanDerWaalsContact SG-C 3.53Å; C383-C396 WeakPolarHBondContact SG-CB 3.44Å; C383-C396 CovalentContact SG-SG 2.04Å; C383-C396 PolarHBondContact SG-SG 2.98Å
384E88.4Confident85.9Confident92 Ų9273.2 Ų73.243%0.4337%0.367SS..Hα-helixtrans-80.2-34.9175.8-68.7165.6-100.400112.8R378 M380 S381 K382R378-E384 IonicContact CZ-OE2 2.79Å; R378-E384 IonicContact NH1-OE2 2.75Å; R378-E384 PolarHBondContact NH1-OE2 3.09Å; M380-E384 HydrophobicContact CB-CB 4.17Å; M380-E384 HydrophobicContact CE-CB 3.83Å; M380-E384 WeakPolarHBondContact CE-O 3.45Å; M380-E384 HydrophobicContact CG-CB 4.47Å; S381-E384 PolarHBondContact N-OE1 3.46Å; S381-E384 WeakPolarHBondContact O-CB 3.46Å; S381-E384 PolarHBondContact O-N 3.4Å; S381-E384 WeakPolarHBondContact OG-CG 3.4Å; S381-E384 PolarHBondContact OG-N 3.31Å; S381-E384 PolarHBondContact OG-OE1 3.18Å; K382-E384 VanDerWaalsContact C-N 3.32Å; K382-E384 PolarHBondContact O-N 3.31Å
385E85.2Confident86.3Confident98 Ų9868 Ų6846%0.45835%0.347SS..Hα-helixtrans-72.3-47.4-178.6180-179.1-177.800112.3T371 M380 S381 K382T371-E385 WeakPolarHBondContact CB-OE2 3.34Å; T371-E385 WeakPolarHBondContact CG2-OE2 3.23Å; T371-E385 VanDerWaalsContact OG1-CD 3.25Å; T371-E385 PolarHBondContact OG1-OE2 3.37Å; M380-E385 HydrophobicContact CE-CB 4.46Å; S381-E385 PolarHBondContact O-N 2.85Å; K382-E385 PolarHBondContact O-N 3.14Å
386L84.3Confident86.8Confident104 Ų10465.7 Ų65.755%0.54534%0.337SS..Hα-helixtrans-94.5-12.7-175.2-59174000112.8K382 I390K382-L386 WeakPolarHBondContact O-CB 3.38Å; K382-L386 PolarHBondContact O-N 3.13Å; L386-I390 HydrophobicContact CB-CB 4.28Å; L386-I390 HydrophobicContact CB-CD1 4.1Å; L386-I390 HydrophobicContact CB-CG1 4.36Å; L386-I390 HydrophobicContact CD1-CD1 3.65Å; L386-I390 HydrophobicContact CD1-CG1 4.16Å; L386-I390 HydrophobicContact CG-CD1 4.45Å
387G81.2Confident87Confident20 Ų2060.4 Ų60.421%0.20632%0.32CS..  trans69.4-168.8177.300000114.2C383 S389 I390C383-G387 WeakPolarHBondContact O-CA 3.37Å; C383-G387 PolarHBondContact O-N 2.77Å; G387-S389 PolarHBondContact O-N 2.88Å; G387-I390 WeakPolarHBondContact O-CG2 3.37Å; G387-I390 PolarHBondContact O-N 3.28Å
388P77.5Confident87.2Confident119 Ų11957.6 Ų57.677%0.77332%0.321SS*.G310 helixtrans-66.5-22.6-170.126.2-35000114.1I390 C391P388-I390 PolarHBondContact O-N 3.06Å; P388-I390 VanDerWaalsContact O-N 3.1Å; P388-C391 PolarHBondContact O-N 3.12Å
389S82.1Confident87.3Confident107 Ų10755.4 Ų55.475%0.74832%0.316SS*.G310 helixtrans-66.1-10.5-179.8-57.40000114.4G387 C391G387-S389 PolarHBondContact O-N 2.88Å; S389-C391 VanDerWaalsContact C-N 3.29Å; S389-C391 PolarHBondContact O-N 3.1Å
390I86.6Confident87.1Confident23 Ų2360.8 Ų60.812%0.11835%0.354CS..G310 helixtrans-66.6-28.3176.2-159.1-177.3000113K382 L386 G387 P388 C396 Y404K382-I390 HydrophobicContact CB-CD1 4.33Å; L386-I390 HydrophobicContact CB-CB 4.28Å; L386-I390 HydrophobicContact CB-CD1 4.1Å; L386-I390 HydrophobicContact CB-CG1 4.36Å; L386-I390 HydrophobicContact CD1-CD1 3.65Å; L386-I390 HydrophobicContact CD1-CG1 4.16Å; L386-I390 HydrophobicContact CG-CD1 4.45Å; G387-I390 WeakPolarHBondContact O-CG2 3.37Å; G387-I390 PolarHBondContact O-N 3.28Å; P388-I390 PolarHBondContact O-N 3.06Å; P388-I390 VanDerWaalsContact O-N 3.1Å; I390-C396 HydrophobicContact CG2-CB 3.63Å; I390-C396 WeakPolarHBondContact CG2-SG 3.4Å; I390-Y404 HydrophobicContact CD1-CD1 3.71Å; I390-Y404 HydrophobicContact CD1-CD2 3.72Å; I390-Y404 HydrophobicContact CD1-CE1 3.53Å; I390-Y404 HydrophobicContact CD1-CE2 3.54Å; I390-Y404 HydrophobicContact CD1-CG 3.8Å; I390-Y404 VanDerWaalsContact CD1-CZ 3.43Å; I390-Y404 HydrophobicContact CG1-CD2 4.2Å; I390-Y404 HydrophobicContact CG1-CE1 4.19Å; I390-Y404 HydrophobicContact CG1-CE2 3.6Å
391C88.6Confident86.9Confident3 Ų364.1 Ų64.12%0.0237%0.372CS..SBendtrans-124.975.6179.8-66.90000110.9P388 S389 N393 G394 C396 C406P388-C391 PolarHBondContact O-N 3.12Å; S389-C391 VanDerWaalsContact C-N 3.29Å; S389-C391 PolarHBondContact O-N 3.1Å; C391-N393 PolarHBondContact O-N 2.81Å; C391-G394 CarbonylContact O-C 3.5Å; C391-G394 PolarHBondContact O-N 2.76Å; C391-C396 VanDerWaalsContact SG-CA 3.56Å; C391-C406 VanDerWaalsContact CA-SG 3.5Å; C391-C406 HydrophobicContact CB-CB 3.74Å; C391-C406 WeakPolarHBondContact CB-SG 3.42Å; C391-C406 WeakPolarHBondContact SG-CA 3.3Å; C391-C406 WeakPolarHBondContact SG-CB 3.39Å; C391-C406 CovalentContact SG-SG 2.03Å; C391-C406 PolarHBondContact SG-SG 2.04Å
392P86.4Confident86.5Confident71 Ų7163.6 Ų63.646%0.46137%0.369SS..THydrogen-bonded Turntrans-60.9131.4174.326.3-33.6000110.5G394 C421P392-G394 VanDerWaalsContact C-N 3.31Å; P392-C421 WeakPolarHBondContact O-CB 3.49Å
393N88Confident86.5Confident69 Ų6962.6 Ų62.637%0.36937%0.366SS..THydrogen-bonded Turntrans61.932.4-174.7-40.4-58.2000114.4C391 E409 Y412 C421C391-N393 PolarHBondContact O-N 2.81Å; N393-E409 PolarHBondContact O-N 3Å; N393-Y412 HydrophobicContact CB-CD1 3.65Å; N393-Y412 HydrophobicContact CB-CD2 3.94Å; N393-Y412 HydrophobicContact CB-CE1 3.46Å; N393-Y412 VanDerWaalsContact CB-CE1 3.46Å; N393-Y412 HydrophobicContact CB-CE2 3.77Å; N393-Y412 HydrophobicContact CB-CG 3.9Å; N393-Y412 VanDerWaalsContact CG-CE1 3.4Å; N393-Y412 VanDerWaalsContact CG-CZ 3.43Å; N393-Y412 VanDerWaalsContact ND2-CE1 3.27Å; N393-Y412 WeakPolarHBondContact ND2-CE1 3.01Å; N393-Y412 PolarHBondContact OD1-OH 2.86Å; N393-C421 HydrophobicContact CB-CB 4.33Å; N393-C421 WeakPolarHBondContact O-CB 3.39Å
394G89.2Confident86.6Confident16 Ų1663.4 Ų63.417%0.16537%0.367CS..EExtended strand (participates in β ladder)trans-164.2-171.7175.700000111.9C391 P392 Q407C391-G394 CarbonylContact O-C 3.5Å; C391-G394 PolarHBondContact O-N 2.76Å; P392-G394 VanDerWaalsContact C-N 3.31Å; G394-Q407 CarbonylContact C-O 3.46Å; G394-Q407 WeakPolarHBondContact CA-O 3.21Å
395Y91.2Very high86.8Confident124 Ų12462.4 Ų62.449%0.48636%0.362SS..EExtended strand (participates in β ladder)trans-123.5144.1172.657.5-90.9000111.6I397 C406 Q407Y395-I397 HydrophobicContact CD2-CD1 4.32Å; Y395-I397 HydrophobicContact CD2-CG1 3.9Å; Y395-I397 HydrophobicContact CE2-CD1 3.88Å; Y395-I397 HydrophobicContact CE2-CG1 3.92Å; Y395-C406 WeakPolarHBondContact O-CA 3.04Å; Y395-Q407 HydrophobicContact CD1-CB 4.35Å; Y395-Q407 WeakPolarHBondContact CD1-O 3.21Å; Y395-Q407 HydrophobicContact CD2-CB 4.1Å; Y395-Q407 HydrophobicContact CE1-CB 4.01Å; Y395-Q407 HydrophobicContact CE1-CG 3.84Å; Y395-Q407 HydrophobicContact CE2-CB 3.72Å; Y395-Q407 HydrophobicContact CE2-CG 4.11Å; Y395-Q407 HydrophobicContact CG-CB 4.43Å; Y395-Q407 VanDerWaalsContact CZ-OE1 3.28Å; Y395-Q407 PolarHBondContact N-O 3.25Å; Y395-Q407 PolarHBondContact O-N 3Å; Y395-Q407 PolarHBondContact OH-NE2 2.91Å; Y395-Q407 PolarHBondContact OH-OE1 2.79Å
396C91.9Very high87.2Confident35 Ų3557.9 Ų57.924%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-81.7125.6-179.5-167.60000110.6C383 I390 C391C383-C396 WeakPolarHBondContact CA-SG 3.21Å; C383-C396 HydrophobicContact CB-CB 3.74Å; C383-C396 WeakPolarHBondContact CB-SG 3.21Å; C383-C396 VanDerWaalsContact SG-C 3.53Å; C383-C396 WeakPolarHBondContact SG-CB 3.44Å; C383-C396 CovalentContact SG-SG 2.04Å; C383-C396 PolarHBondContact SG-SG 2.98Å; I390-C396 HydrophobicContact CG2-CB 3.63Å; I390-C396 WeakPolarHBondContact CG2-SG 3.4Å; C391-C396 VanDerWaalsContact SG-CA 3.56Å
397I91.8Very high87.6Confident49 Ų4957.4 Ų57.425%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-108.2122.1173.1-59.7176.4000107.3Y395 Y404 E405 Q407Y395-I397 HydrophobicContact CD2-CD1 4.32Å; Y395-I397 HydrophobicContact CD2-CG1 3.9Å; Y395-I397 HydrophobicContact CE2-CD1 3.88Å; Y395-I397 HydrophobicContact CE2-CG1 3.92Å; I397-Y404 CarbonylContact O-C 3.43Å; I397-Y404 WeakPolarHBondContact O-CA 3.42Å; I397-Y404 WeakPolarHBondContact O-CB 3.36Å; I397-E405 HydrophobicContact CB-CG 3.77Å; I397-E405 HydrophobicContact CD1-CG 4.38Å; I397-E405 HydrophobicContact CG2-CG 4.2Å; I397-E405 PolarHBondContact N-O 2.68Å; I397-E405 PolarHBondContact O-N 2.83Å; I397-Q407 HydrophobicContact CD1-CB 3.66Å; I397-Q407 HydrophobicContact CG1-CB 4.41Å
398A88.5Confident88Confident51 Ų5157.8 Ų57.842%0.42134%0.335SS..EExtended strand (participates in β ladder)trans-78.9130.3177.200000110.8
399L88.7Confident88.6Confident54 Ų5457.7 Ų57.728%0.28332%0.324SS..  trans-94.2152.2178.5-61.4175.4000110.8N401 G402 D403 E405L399-N401 WeakPolarHBondContact CB-OD1 3.19Å; L399-N401 PolarHBondContact O-N 3.14Å; L399-N401 VanDerWaalsContact O-N 3.14Å; L399-G402 PolarHBondContact O-N 3.25Å; L399-D403 HydrophobicContact CB-CB 4.47Å; L399-D403 HydrophobicContact CD1-CB 4.25Å; L399-D403 PolarHBondContact N-O 2.92Å; L399-E405 HydrophobicContact CD2-CG 4.16Å
400S84.1Confident88.7Confident118 Ų11861 Ų6183%0.82533%0.332SS*.THydrogen-bonded Turntrans-66.3-16-175.155.80000114.7G402S400-G402 VanDerWaalsContact C-N 3.3Å
401N85.5Confident88.4Confident98 Ų9861.9 Ų61.952%0.52435%0.347SS..THydrogen-bonded Turntrans-87.88.5172.766.4-11000113.4L399 D403L399-N401 WeakPolarHBondContact CB-OD1 3.19Å; L399-N401 PolarHBondContact O-N 3.14Å; L399-N401 VanDerWaalsContact O-N 3.14Å; N401-D403 VanDerWaalsContact C-N 3.25Å; N401-D403 PolarHBondContact O-N 3.3Å; N401-D403 VanDerWaalsContact OD1-CB 3.25Å; N401-D403 WeakPolarHBondContact OD1-CB 3.22Å; N401-D403 PolarHBondContact OD1-N 2.61Å
402G81Confident88.3Confident0 Ų064.6 Ų64.60%036%0.357CS..SBendtrans793.1-176.500000114.4F370 K382 L399 S400F370-G402 VanDerWaalsContact CE2-N 3.28Å; F370-G402 VanDerWaalsContact CZ-CA 3.42Å; K382-G402 WeakPolarHBondContact CD-O 3.25Å; K382-G402 WeakPolarHBondContact CE-O 3.05Å; K382-G402 WeakPolarHBondContact CG-O 3.49Å; L399-G402 PolarHBondContact O-N 3.25Å; S400-G402 VanDerWaalsContact C-N 3.3Å
403D88.4Confident88.2Confident43 Ų4366.2 Ų66.223%0.2336%0.358CS..  trans-85.9-173.8171.9-154.59.1000111.6K382 L399 N401 K419K382-D403 IonicContact NZ-OD1 2.93Å; K382-D403 PolarHBondContact NZ-OD1 3.2Å; L399-D403 HydrophobicContact CB-CB 4.47Å; L399-D403 HydrophobicContact CD1-CB 4.25Å; L399-D403 PolarHBondContact N-O 2.92Å; N401-D403 VanDerWaalsContact C-N 3.25Å; N401-D403 PolarHBondContact O-N 3.3Å; N401-D403 VanDerWaalsContact OD1-CB 3.25Å; N401-D403 WeakPolarHBondContact OD1-CB 3.22Å; N401-D403 PolarHBondContact OD1-N 2.61Å; D403-K419 IonicContact OD1-NZ 2.93Å; D403-K419 PolarHBondContact OD1-NZ 3.2Å; D403-K419 IonicContact OD2-NZ 3.13Å; D403-K419 PolarHBondContact OD2-NZ 2.74Å
404Y91Very high88Confident38 Ų3865 Ų6515%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-140.4161.7176.773.4-75.9000112.4K382 I390 I397 K419K382-Y404 HydrophobicContact CB-CD1 4.11Å; K382-Y404 HydrophobicContact CD-CD1 3.73Å; K382-Y404 HydrophobicContact CD-CE1 4.23Å; I390-Y404 HydrophobicContact CD1-CD1 3.71Å; I390-Y404 HydrophobicContact CD1-CD2 3.72Å; I390-Y404 HydrophobicContact CD1-CE1 3.53Å; I390-Y404 HydrophobicContact CD1-CE2 3.54Å; I390-Y404 HydrophobicContact CD1-CG 3.8Å; I390-Y404 VanDerWaalsContact CD1-CZ 3.43Å; I390-Y404 HydrophobicContact CG1-CD2 4.2Å; I390-Y404 HydrophobicContact CG1-CE1 4.19Å; I390-Y404 HydrophobicContact CG1-CE2 3.6Å; I397-Y404 CarbonylContact O-C 3.43Å; I397-Y404 WeakPolarHBondContact O-CA 3.42Å; I397-Y404 WeakPolarHBondContact O-CB 3.36Å; Y404-K419 HydrophobicContact CE1-CD 4Å; Y404-K419 HydrophobicContact CE2-CD 4.03Å; Y404-K419 PolarHBondContact O-NZ 2.89Å
405E92.1Very high87.8Confident70 Ų7065.5 Ų65.533%0.32736%0.355SS..EExtended strand (participates in β ladder)trans-131.1153.6164.863.2-176.2-167.100110.7I397 L399 H418I397-E405 HydrophobicContact CB-CG 3.77Å; I397-E405 HydrophobicContact CD1-CG 4.38Å; I397-E405 HydrophobicContact CG2-CG 4.2Å; I397-E405 PolarHBondContact N-O 2.68Å; I397-E405 PolarHBondContact O-N 2.83Å; L399-E405 HydrophobicContact CD2-CG 4.16Å; E405-H418 CarbonylContact C-O 3.52Å; E405-H418 WeakPolarHBondContact CA-O 3.47Å; E405-H418 HydrophobicContact CB-CB 3.93Å
406C93.1Very high87.5Confident3 Ų365.6 Ų65.62%0.0237%0.374CS..EExtended strand (participates in β ladder)trans-102.5112.6175.9-62.90000109.9C391 Y395 S414 H418 K419C391-C406 VanDerWaalsContact CA-SG 3.5Å; C391-C406 HydrophobicContact CB-CB 3.74Å; C391-C406 WeakPolarHBondContact CB-SG 3.42Å; C391-C406 WeakPolarHBondContact SG-CA 3.3Å; C391-C406 WeakPolarHBondContact SG-CB 3.39Å; C391-C406 CovalentContact SG-SG 2.03Å; C391-C406 PolarHBondContact SG-SG 2.04Å; Y395-C406 WeakPolarHBondContact O-CA 3.04Å; C406-S414 PolarHBondContact O-OG 3.32Å; C406-H418 PolarHBondContact N-O 2.8Å; C406-K419 PolarHBondContact SG-O 2.68Å
407Q92.7Very high87.2Confident95 Ų9568 Ų6844%0.44438%0.384SS..EExtended strand (participates in β ladder)trans-88.3125.1167.5-177.21672.700109.2G394 Y395 I397G394-Q407 CarbonylContact C-O 3.46Å; G394-Q407 WeakPolarHBondContact CA-O 3.21Å; Y395-Q407 HydrophobicContact CD1-CB 4.35Å; Y395-Q407 WeakPolarHBondContact CD1-O 3.21Å; Y395-Q407 HydrophobicContact CD2-CB 4.1Å; Y395-Q407 HydrophobicContact CE1-CB 4.01Å; Y395-Q407 HydrophobicContact CE1-CG 3.84Å; Y395-Q407 HydrophobicContact CE2-CB 3.72Å; Y395-Q407 HydrophobicContact CE2-CG 4.11Å; Y395-Q407 HydrophobicContact CG-CB 4.43Å; Y395-Q407 VanDerWaalsContact CZ-OE1 3.28Å; Y395-Q407 PolarHBondContact N-O 3.25Å; Y395-Q407 PolarHBondContact O-N 3Å; Y395-Q407 PolarHBondContact OH-NE2 2.91Å; Y395-Q407 PolarHBondContact OH-OE1 2.79Å; I397-Q407 HydrophobicContact CD1-CB 3.66Å; I397-Q407 HydrophobicContact CG1-CB 4.41Å
408C90.3Very high87Confident28 Ų2870.2 Ų70.219%0.18939%0.393CS..EExtended strand (participates in β ladder)trans-91152.6-164.7-55.40000113.8Q413 S414 C421C408-Q413 VanDerWaalsContact SG-C 3.54Å; C408-S414 WeakPolarHBondContact SG-CA 3.31Å; C408-S414 PolarHBondContact SG-N 3.18Å; C408-S414 VanDerWaalsContact SG-N 3.37Å; C408-C421 WeakPolarHBondContact CA-SG 3.46Å; C408-C421 HydrophobicContact CB-CB 3.64Å; C408-C421 WeakPolarHBondContact CB-SG 3.49Å; C408-C421 WeakPolarHBondContact SG-CA 3.3Å; C408-C421 WeakPolarHBondContact SG-CB 2.99Å; C408-C421 CovalentContact SG-SG 2.03Å; C408-C421 PolarHBondContact SG-SG 3.34Å
409E89.1Confident87Confident116 Ų11669.4 Ų69.454%0.54238%0.38SS..PPolyproline II helixtrans-70.6163.6170.3-66.1-177.616500111.4N393 G411 Y412N393-E409 PolarHBondContact O-N 3Å; E409-G411 PolarHBondContact O-N 2.88Å; E409-Y412 HydrophobicContact CB-CD2 4.42Å; E409-Y412 PolarHBondContact O-N 2.78Å
410I84.3Confident86.9Confident178 Ų17873 Ų7391%0.91339%0.393SS*.THydrogen-bonded Turntrans-59.6130.6-177.6-58172.9000110
411G80.2Confident87.1Confident41 Ų4167.8 Ų67.842%0.42336%0.357SS..THydrogen-bonded Turntrans94.9-9.2-175.300000114.4E409 Q424E409-G411 PolarHBondContact O-N 2.88Å; G411-Q424 PolarHBondContact O-N 3.04Å
412Y87.6Confident87.1Confident60 Ų6067.5 Ų67.524%0.23536%0.355CS..EExtended strand (participates in β ladder)trans-109.7149.8174.8-63-100.3000111.4N393 E409 C421 I422 M423N393-Y412 HydrophobicContact CB-CD1 3.65Å; N393-Y412 HydrophobicContact CB-CD2 3.94Å; N393-Y412 HydrophobicContact CB-CE1 3.46Å; N393-Y412 VanDerWaalsContact CB-CE1 3.46Å; N393-Y412 HydrophobicContact CB-CE2 3.77Å; N393-Y412 HydrophobicContact CB-CG 3.9Å; N393-Y412 VanDerWaalsContact CG-CE1 3.4Å; N393-Y412 VanDerWaalsContact CG-CZ 3.43Å; N393-Y412 VanDerWaalsContact ND2-CE1 3.27Å; N393-Y412 WeakPolarHBondContact ND2-CE1 3.01Å; N393-Y412 PolarHBondContact OD1-OH 2.86Å; E409-Y412 HydrophobicContact CB-CD2 4.42Å; E409-Y412 PolarHBondContact O-N 2.78Å; Y412-C421 HydrophobicContact CD1-CB 4.45Å; Y412-I422 CarbonylContact C-O 3.49Å; Y412-I422 WeakPolarHBondContact CA-O 3.48Å; Y412-M423 HydrophobicContact CD1-CB 4.45Å; Y412-M423 HydrophobicContact CD1-CG 3.75Å; Y412-M423 HydrophobicContact CE1-CB 4.37Å; Y412-M423 HydrophobicContact CE1-CG 3.25Å; Y412-M423 HydrophobicContact CE1-SD 4.36Å
413Q84.1Confident87Confident105 Ų10573.5 Ų73.549%0.49138%0.384SS..EExtended strand (participates in β ladder)trans-111.6147.4168.5-78.4176.87.800110.3C408 C421 I422 Q424C408-Q413 VanDerWaalsContact SG-C 3.54Å; Q413-C421 WeakPolarHBondContact O-CA 3.02Å; Q413-I422 PolarHBondContact N-O 3.49Å; Q413-I422 WeakPolarHBondContact O-CG1 3.37Å; Q413-I422 PolarHBondContact O-N 2.89Å; Q413-Q424 HydrophobicContact CB-CG 4.48Å; Q413-Q424 HydrophobicContact CG-CG 3.62Å; Q413-Q424 VanDerWaalsContact CG-NE2 3.35Å; Q413-Q424 VanDerWaalsContact NE2-CD 3.26Å
414S83.2Confident86Confident43 Ų4376 Ų7630%0.30139%0.394SS..EExtended strand (participates in β ladder)trans-72.7139.7172.2-160.60000109.4C406 C408 H418 K420C406-S414 PolarHBondContact O-OG 3.32Å; C408-S414 WeakPolarHBondContact SG-CA 3.31Å; C408-S414 PolarHBondContact SG-N 3.18Å; C408-S414 VanDerWaalsContact SG-N 3.37Å; S414-H418 WeakPolarHBondContact OG-CA 3.34Å; S414-H418 PolarHBondContact OG-ND1 2.9Å; S414-K420 CarbonylContact C-O 3.57Å; S414-K420 WeakPolarHBondContact CA-O 3.34Å
415T85.8Confident84.4Confident26 Ų2681.2 Ų81.216%0.1642%0.424CS..  trans-65.2165.4173.345.30000111.8D417 H418 K419 K420 I422T415-D417 WeakPolarHBondContact CB-OD1 3.38Å; T415-D417 PolarHBondContact O-N 3.36Å; T415-D417 PolarHBondContact OG1-OD1 3.07Å; T415-H418 VanDerWaalsContact O-CA 3.31Å; T415-H418 WeakPolarHBondContact O-CA 3.28Å; T415-H418 PolarHBondContact O-N 2.72Å; T415-H418 PolarHBondContact O-ND1 2.92Å; T415-K419 PolarHBondContact OG1-N 3.33Å; T415-K420 HydrophobicContact CG2-CB 3.88Å; T415-K420 PolarHBondContact N-O 2.93Å; T415-K420 PolarHBondContact OG1-N 3.11Å; T415-K420 PolarHBondContact OG1-O 2.91Å; T415-I422 HydrophobicContact CG2-CD1 4.2Å; T415-I422 HydrophobicContact CG2-CG1 4.27Å; T415-I422 HydrophobicContact CG2-CG2 3.97Å
416S83.9Confident82.3Confident126 Ų12686 Ų8688%0.88145%0.446SS*.THydrogen-bonded Turntrans-65.6-19.7-177.350.40000114.8H418S416-H418 VanDerWaalsContact C-N 3.35Å
417D86.2Confident79.7Confident85 Ų8595 Ų9546%0.45549%0.487SS..THydrogen-bonded Turntrans-90.5-0.9170.564.7-7.5000113T415 K419T415-D417 WeakPolarHBondContact CB-OD1 3.38Å; T415-D417 PolarHBondContact O-N 3.36Å; T415-D417 PolarHBondContact OG1-OD1 3.07Å; D417-K419 HydrophobicContact CB-CG 3.99Å; D417-K419 VanDerWaalsContact CG-CG 3.46Å; D417-K419 WeakPolarHBondContact O-CE 3.14Å; D417-K419 WeakPolarHBondContact O-CG 3.31Å; D417-K419 PolarHBondContact O-N 3.11Å; D417-K419 PolarHBondContact OD1-N 2.9Å; D417-K419 WeakPolarHBondContact OD2-CB 3.25Å; D417-K419 WeakPolarHBondContact OD2-CG 3.5Å
418H87.8Confident77.4Confident96 Ų9696.3 Ų96.344%0.44450%0.504SS..SBendtrans54.724.5-171.9-58.5-61.5000115.3E405 C406 S414 T415 S416E405-H418 CarbonylContact C-O 3.52Å; E405-H418 WeakPolarHBondContact CA-O 3.47Å; E405-H418 HydrophobicContact CB-CB 3.93Å; C406-H418 PolarHBondContact N-O 2.8Å; S414-H418 WeakPolarHBondContact OG-CA 3.34Å; S414-H418 PolarHBondContact OG-ND1 2.9Å; T415-H418 VanDerWaalsContact O-CA 3.31Å; T415-H418 WeakPolarHBondContact O-CA 3.28Å; T415-H418 PolarHBondContact O-N 2.72Å; T415-H418 PolarHBondContact O-ND1 2.92Å; S416-H418 VanDerWaalsContact C-N 3.35Å
419K88Confident74.7Confident35 Ų35102.5 Ų102.515%0.15254%0.535CS..SBendtrans-98-10.1-176.2-54.7-53.7176.1177.50115.8D403 Y404 C406 T415 D417D403-K419 IonicContact OD1-NZ 2.93Å; D403-K419 PolarHBondContact OD1-NZ 3.2Å; D403-K419 IonicContact OD2-NZ 3.13Å; D403-K419 PolarHBondContact OD2-NZ 2.74Å; Y404-K419 HydrophobicContact CE1-CD 4Å; Y404-K419 HydrophobicContact CE2-CD 4.03Å; Y404-K419 PolarHBondContact O-NZ 2.89Å; C406-K419 PolarHBondContact SG-O 2.68Å; T415-K419 PolarHBondContact OG1-N 3.33Å; D417-K419 HydrophobicContact CB-CG 3.99Å; D417-K419 VanDerWaalsContact CG-CG 3.46Å; D417-K419 WeakPolarHBondContact O-CE 3.14Å; D417-K419 WeakPolarHBondContact O-CG 3.31Å; D417-K419 PolarHBondContact O-N 3.11Å; D417-K419 PolarHBondContact OD1-N 2.9Å; D417-K419 WeakPolarHBondContact OD2-CB 3.25Å; D417-K419 WeakPolarHBondContact OD2-CG 3.5Å
420K86.4Confident72.4Confident128 Ų128101.7 Ų101.756%0.55754%0.543SS*.  trans-146.9158.3-175.1-60.9177.8-175.2169.90111.4S414 T415S414-K420 CarbonylContact C-O 3.57Å; S414-K420 WeakPolarHBondContact CA-O 3.34Å; T415-K420 HydrophobicContact CG2-CB 3.88Å; T415-K420 PolarHBondContact N-O 2.93Å; T415-K420 PolarHBondContact OG1-N 3.11Å; T415-K420 PolarHBondContact OG1-O 2.91Å
421C89Confident70.1Confident9 Ų9100 Ų1006%0.06154%0.536CS..EExtended strand (participates in β ladder)trans-114.4118.8175.7-65.40000110.7P392 N393 C408 Y412 Q413P392-C421 WeakPolarHBondContact O-CB 3.49Å; N393-C421 HydrophobicContact CB-CB 4.33Å; N393-C421 WeakPolarHBondContact O-CB 3.39Å; C408-C421 WeakPolarHBondContact CA-SG 3.46Å; C408-C421 HydrophobicContact CB-CB 3.64Å; C408-C421 WeakPolarHBondContact CB-SG 3.49Å; C408-C421 WeakPolarHBondContact SG-CA 3.3Å; C408-C421 WeakPolarHBondContact SG-CB 2.99Å; C408-C421 CovalentContact SG-SG 2.03Å; C408-C421 PolarHBondContact SG-SG 3.34Å; Y412-C421 HydrophobicContact CD1-CB 4.45Å; Q413-C421 WeakPolarHBondContact O-CA 3.02Å
422I85.8Confident68Low92 Ų92104.4 Ų104.447%0.47255%0.548SS..EExtended strand (participates in β ladder)trans-116.3141.1-17555167.9000110.6Y412 Q413 T415Y412-I422 CarbonylContact C-O 3.49Å; Y412-I422 WeakPolarHBondContact CA-O 3.48Å; Q413-I422 PolarHBondContact N-O 3.49Å; Q413-I422 WeakPolarHBondContact O-CG1 3.37Å; Q413-I422 PolarHBondContact O-N 2.89Å; T415-I422 HydrophobicContact CG2-CD1 4.2Å; T415-I422 HydrophobicContact CG2-CG1 4.27Å; T415-I422 HydrophobicContact CG2-CG2 3.97Å
423M78.4Confident65.3Low126 Ų126104.7 Ų104.762%0.62155%0.552SS**EExtended strand (participates in β ladder)trans-65140.1-178.9-67.1-169.5-56.300111.4Y412 I425Y412-M423 HydrophobicContact CD1-CB 4.45Å; Y412-M423 HydrophobicContact CD1-CG 3.75Å; Y412-M423 HydrophobicContact CE1-CB 4.37Å; Y412-M423 HydrophobicContact CE1-CG 3.25Å; Y412-M423 HydrophobicContact CE1-SD 4.36Å; M423-I425 PolarHBondContact O-N 3.23Å
424Q66.3Low62.8Low96 Ų96109 Ų10945%0.44957%0.569SS.*  trans-69.8123.4167.8-62.5-17418.200109.6G411 Q413G411-Q424 PolarHBondContact O-N 3.04Å; Q413-Q424 HydrophobicContact CB-CG 4.48Å; Q413-Q424 HydrophobicContact CG-CG 3.62Å; Q413-Q424 VanDerWaalsContact CG-NE2 3.35Å; Q413-Q424 VanDerWaalsContact NE2-CD 3.26Å
425I57.6Low60.2Low148 Ų148109.3 Ų109.376%0.75957%0.574SS**  trans-109.9100.8168.9-55.9177.4000106.7M423M423-I425 PolarHBondContact O-N 3.23Å
426E48.7Very low57.5Low170 Ų170113.4 Ų113.479%0.79459%0.59SS**PPolyproline II helixtrans-71125.3170-63.1-177.315400108.8P428E426-P428 VanDerWaalsContact O-CD 3.31Å; E426-P428 WeakPolarHBondContact O-CD 3.31Å
427E39.1Very low55Low191 Ų191113.3 Ų113.389%0.89358%0.584SS**PPolyproline II helixtrans-85.8119.7177.3-69.9-167.5150.900111.9
428P42.8Very low52Low123 Ų123115.5 Ų115.580%0.79960%0.6SS**PPolyproline II helixtrans-90.2140.3160.10.521.1000110.1E426E426-P428 VanDerWaalsContact O-CD 3.31Å; E426-P428 WeakPolarHBondContact O-CD 3.31Å
429N34.6Very low49.5Very low158 Ų158119.4 Ų119.485%0.84562%0.618SS**PPolyproline II helixtrans-55.9155.3-176.9-79.4-61.4000116.1
430S40Very low46.5Very low100 Ų100126.8 Ų126.870%0.69965%0.647SS**  trans78.1108.2150.765.10000120.6
431N35.8Very low43.6Very low143 Ų143130.8 Ų130.877%0.76566%0.66SS**  trans67.8112.6130.9-64.4-12.6000121.7
432I36.8Very low40.8Very low132 Ų132139.1 Ų139.168%0.67770%0.695SS**  trans83.4105.6133.3-61.5168.6000117.3
433H31Very low38.1Very low67 Ų67142.1 Ų142.131%0.3171%0.712SS.*  trans59.2121.4142.9-67.4-145.5000118.7E459H433-E459 VanDerWaalsContact CA-OE1 3.3Å; H433-E459 WeakPolarHBondContact CA-OE1 3.01Å; H433-E459 VanDerWaalsContact CB-OE1 3.26Å; H433-E459 WeakPolarHBondContact CB-OE1 3.43Å; H433-E459 WeakPolarHBondContact CE1-CB 3.44Å; H433-E459 IonicContact CE1-OE2 3.55Å; H433-E459 VanDerWaalsContact CG-CD 3.45Å; H433-E459 IonicContact CG-OE1 2.74Å; H433-E459 IonicContact CG-OE2 3.45Å; H433-E459 WeakPolarHBondContact ND1-CB 3.39Å; H433-E459 IonicContact ND1-OE1 3.89Å; H433-E459 IonicContact ND1-OE2 2.69Å; H433-E459 PolarHBondContact ND1-OE2 2.92Å
434F32.9Very low36Very low196 Ų196144.2 Ų144.286%0.8672%0.717SS**  -174.8128.8123.9-108.6-73.6000109.9E459F434-E459 WeakPolarHBondContact CA-OE1 3.27Å; F434-E459 PolarHBondContact N-OE1 2.91Å
435A27.8Very low34.4Very low49 Ų49149.1 Ų149.141%0.40573%0.733SS.*  trans-91162.6-176.400000114.7
436K29.1Very low33.2Very low112 Ų112152.4 Ų152.449%0.48774%0.738SS.*  trans91.298.6160.7-58.2-165.5175.6-1720119.6E455 H456K436-E455 PolarHBondContact NZ-O 3.32Å; K436-H456 PolarHBondContact NZ-O 2.76Å
437T30.6Very low32.4Very low124 Ų124147.5 Ų147.576%0.76173%0.733SS**  17.4137.1121.927.60000120.7
438V24.7Very low32.2Very low130 Ų130145 Ų14579%0.78873%0.726SS**  -149.9142.4124.4168.50000110.3Y440V438-Y440 HydrophobicContact CG1-CD2 4.31Å; V438-Y440 HydrophobicContact CG1-CE2 3.99Å
439Q34.2Very low31.9Very low178 Ų178147 Ų14783%0.83272%0.722SS**  trans-96.3156.7174.9-66.1178.8-37.600113.6
440Y24.7Very low32.1Very low191 Ų191146.4 Ų146.475%0.74971%0.714SS**  trans-139.5138.3159.1-76.3-112.4000107.2V438V438-Y440 HydrophobicContact CG1-CD2 4.31Å; V438-Y440 HydrophobicContact CG1-CE2 3.99Å
441Y26.3Very low31.6Very low212 Ų212148 Ų14883%0.83171%0.714SS**  cis-148.3-151.8-5.5-130.5-29.1000111.4
442K29.8Very low31.4Very low183 Ų183150 Ų15080%0.79672%0.719SS**  trans-119.1153.9-171.3-81.9169.8167.9166.60115.1
443N30Very low31.6Very low155 Ų155148.1 Ų148.183%0.82972%0.724SS**  178.9148.1125.4-94.5-26.6000110.7
444K32.4Very low31.7Very low170 Ų170154.9 Ų154.974%0.73975%0.748SS**  cis-172.9156.3-23.9-157.5174.1-174.8176.20107.1
445Y32.6Very low31.7Very low199 Ų199152.1 Ų152.178%0.7874%0.738SS**  trans147100.4144.8-89-82.2000112.8
446Y33.4Very low31.9Very low217 Ų217155.7 Ų155.785%0.85175%0.746SS**  trans43.3137.8155.8-64.9-104.5000120.5
447G31.5Very low31.9Very low67 Ų67153.9 Ų153.969%0.69175%0.747SS**  cis172.3153.10.800000106.1
448D35.4Very low31.8Very low139 Ų139155.3 Ų155.374%0.74375%0.749SS**  cis-154.4147.727.5-105.5-31.3000111.3
449K36.3Very low31.9Very low165 Ų165151.3 Ų151.372%0.71772%0.721SS**  trans56.5140.7147.2-56.6177.7-174.8178.40121.6
450E37.8Very low31.7Very low145 Ų145148.9 Ų148.968%0.67871%0.712SS**  cis-162.8135.5-9.7-115.5161.5-149.200109.1
451N30.9Very low31.9Very low133 Ų133144.5 Ų144.571%0.71170%0.701SS**  trans49.9145143.7-52.1-8.1000122.1
452E32.2Very low32Very low185 Ų185143.2 Ų143.286%0.86470%0.7SS**  cis-166.7173.2-18.8-119.6172175.100108.1
453A39.7Very low31.8Very low94 Ų94139.6 Ų139.678%0.77770%0.695SS**  trans-129.4160.1-168.200000115.2
454Y32.6Very low31.8Very low208 Ų208142.7 Ų142.782%0.81670%0.701SS**  trans-153.4140.1170.8-134.2-107.2000115.8
455E32.7Very low31.4Very low139 Ų139142.2 Ų142.265%0.6571%0.705SS**  trans63.6155.1150.8-94.3178.2174.300128.5K436K436-E455 PolarHBondContact NZ-O 3.32Å
456H33.3Very low31.2Very low124 Ų124141.6 Ų141.657%0.57471%0.71SS**  trans77.3108.6138.4-60-74000118.8K436K436-H456 PolarHBondContact NZ-O 2.76Å
457S28.1Very low30.8Very low73 Ų73139 Ų13951%0.5171%0.709SS.*  83.813689.165.70000120.1
458I29.2Very low30.5Very low155 Ų155141.3 Ų141.380%0.79571%0.705SS**  trans88.1148.3160.4-58158.5000117.4
459E27.5Very low30.1Very low46 Ų46140.2 Ų140.222%0.21570%0.696CS.*  -154.2144.3-127.6-82.3164.2120.600114.9H433 F434H433-E459 VanDerWaalsContact CA-OE1 3.3Å; H433-E459 WeakPolarHBondContact CA-OE1 3.01Å; H433-E459 VanDerWaalsContact CB-OE1 3.26Å; H433-E459 WeakPolarHBondContact CB-OE1 3.43Å; H433-E459 WeakPolarHBondContact CE1-CB 3.44Å; H433-E459 IonicContact CE1-OE2 3.55Å; H433-E459 VanDerWaalsContact CG-CD 3.45Å; H433-E459 IonicContact CG-OE1 2.74Å; H433-E459 IonicContact CG-OE2 3.45Å; H433-E459 WeakPolarHBondContact ND1-CB 3.39Å; H433-E459 IonicContact ND1-OE1 3.89Å; H433-E459 IonicContact ND1-OE2 2.69Å; H433-E459 PolarHBondContact ND1-OE2 2.92Å; F434-E459 WeakPolarHBondContact CA-OE1 3.27Å; F434-E459 PolarHBondContact N-OE1 2.91Å
460M28.6Very low29.6Very low127 Ų127137.9 Ų137.963%0.62670%0.7SS**  trans55.7155.2139-49.4-179.1-170.100120.2
461N29.9Very low29Very low99 Ų99137.1 Ų137.153%0.52970%0.697SS.*  cis-160.814333.1-116.6-55.6000113.6
462K28.2Very low28.8Very low185 Ų185136.7 Ų136.780%0.80469%0.693SS**  trans53.4148.4142.3-77.6-179.4177.9-1750122.8
463P26.5Very low28.4Very low106 Ų106134.5 Ų134.569%0.68869%0.687SS**  -136.3121.4-55.231.4-11.5000111.6L465P463-L465 PolarHBondContact O-N 3.27Å
464K29Very low27.8Very low221 Ų221135.5 Ų135.596%0.96168%0.68SS**  trans-73.299.8164.5-86.5-169175.6-1760109.2Q466K464-Q466 PolarHBondContact O-N 3.3Å; K464-Q466 VanDerWaalsContact O-N 3.15Å
465L24.6Very low27.5Very low159 Ų159132.1 Ų132.183%0.83267%0.671SS**  trans-75.295.4171.9-161123.9000108.7P463P463-L465 PolarHBondContact O-N 3.27Å
466Q28.5Very low27.3Very low186 Ų186132.8 Ų132.887%0.86967%0.672SS**  trans-149.7110.2158.9-117.9163.15.900109.9K464 D468K464-Q466 PolarHBondContact O-N 3.3Å; K464-Q466 VanDerWaalsContact O-N 3.15Å; Q466-D468 PolarHBondContact O-N 2.88Å; Q466-D468 VanDerWaalsContact O-N 3.16Å
467I24.7Very low26.9Very low162 Ų162130.7 Ų130.783%0.83167%0.671SS**  trans-65.7106.2171.7-74172.8000107.4
468D24.9Very low26.9Very low116 Ų116136.8 Ų136.862%0.6269%0.685SS**  90.7153.1117-145.913.1000120.6Q466Q466-D468 PolarHBondContact O-N 2.88Å; Q466-D468 VanDerWaalsContact O-N 3.16Å
469Q25.9Very low26.9Very low117 Ų117136 Ų13655%0.54768%0.682SS.*  trans-53.6145.4-177.7-68.1152.8-41.400111.5E471Q469-E471 HydrophobicContact CB-CB 4.02Å; Q469-E471 HydrophobicContact CB-CG 4.03Å; Q469-E471 HydrophobicContact CG-CB 4.46Å; Q469-E471 HydrophobicContact CG-CG 3.94Å; Q469-E471 PolarHBondContact NE2-OE1 2.04Å; Q469-E471 PolarHBondContact NE2-OE2 2.87Å; Q469-E471 VanDerWaalsContact NE2-OE2 3.15Å
470S27.4Very low26.8Very low116 Ų116144.3 Ų144.381%0.81171%0.712SS**  cis51.942.99.766.20000116.4
471E25.6Very low26.8Very low128 Ų128149.4 Ų149.460%0.59872%0.724SS**  trans-122.7125.1153.5-84.3176.1-169.400106.5Q469Q469-E471 HydrophobicContact CB-CB 4.02Å; Q469-E471 HydrophobicContact CB-CG 4.03Å; Q469-E471 HydrophobicContact CG-CB 4.46Å; Q469-E471 HydrophobicContact CG-CG 3.94Å; Q469-E471 PolarHBondContact NE2-OE1 2.04Å; Q469-E471 PolarHBondContact NE2-OE2 2.87Å; Q469-E471 VanDerWaalsContact NE2-OE2 3.15Å
472I25.6Very low26.7Very low124 Ų124152.9 Ų152.964%0.63674%0.737SS**  62.785.170.8-62.5168.9000105.9
473D24.7Very low26.8Very low139 Ų139148.7 Ų148.774%0.74373%0.731SS**  79.7-175.4100-73-52.3000109.7
474D25.2Very low27.1Very low115 Ų115149.9 Ų149.962%0.61573%0.732SS**  trans64103.2159.6-64.6-7.8000116.2
475E27.4Very low27.2Very low138 Ų138143.8 Ų143.865%0.64572%0.717SS**  60.5120.389.7-68.2-168.8112.800111.4
476K27.7Very low27.6Very low153 Ų153144.5 Ų144.567%0.66572%0.721SS**  -171157.459-101.9108.9-172.6153.40109.5
477S26.3Very low27.7Very low80 Ų80140.6 Ų140.656%0.55971%0.714SS**  trans68.6124.2146.2-1600000116.3
478Y26.8Very low28Very low200 Ų200144.5 Ų144.578%0.78472%0.718SS**  cis-115.2119.141.2-91.9-101.9000115.8W480Y478-W480 HydrophobicContact CD1-CZ2 4.43Å
479N28.9Very low28.3Very low139 Ų139148.8 Ų148.874%0.74373%0.731SS**  trans-70.7132.1159.2-73.2-45.2000110.2
480W26.2Very low28.7Very low220 Ų220149 Ų14983%0.83375%0.746SS**  -140.7132.5129.4-61.5-49000104Y478Y478-W480 HydrophobicContact CD1-CZ2 4.43Å
481W29.4Very low28.9Very low234 Ų234149.2 Ų149.289%0.88675%0.747SS**  cis-144163.639.9-77.566.1000113.8
482Q27.9Very low29.3Very low172 Ų172146.3 Ų146.380%0.80475%0.752SS**  trans-45.6163.8162.5-61.4151.61.400113.1
483S28.7Very low29.7Very low97 Ų97149.3 Ų149.368%0.67876%0.76SS**  cis-159.1159.5-1.247.20000105.7
484D34.1Very low30.1Very low132 Ų132149.8 Ų149.871%0.70676%0.758SS**  177.7122.863.3-106-62.4000104.9
485S31.1Very low30.3Very low92 Ų92151.5 Ų151.564%0.64376%0.763SS**  87.7129.579.780.40000116.1
486L33Very low30.5Very low175 Ų175153 Ų15392%0.91677%0.767SS**  trans95.8134.8163.6-59.1169.4000121.3
487S29.6Very low30.6Very low104 Ų104151.7 Ų151.773%0.72777%0.772SS**  trans-127.4161.6-164.457.70000112.9
488R31.9Very low30.5Very low243 Ų243158.6 Ų158.692%0.91779%0.787SS**  trans173108.5147.4-92.6151.3-166.2-150.65.9108.2
489K31.2Very low30.5Very low206 Ų206154.1 Ų154.190%0.89679%0.785SS**  73.7130.968.7-88.5-165.2173.5-177.90116.9
490S34.4Very low30.8Very low122 Ų122156 Ų15685%0.85379%0.789SS**  trans84.9144.2156.7-155.60000117.6
491S31.5Very low30.7Very low120 Ų120156 Ų15684%0.83979%0.791SS**  cis179.4153.3-22.6178.10000108.8
492G32.5Very low30.6Very low68 Ų68153.1 Ų153.170%0.70179%0.785SS**  trans13986.7153.500000122.6
493K34.4Very low30.6Very low187 Ų187152.3 Ų152.381%0.81378%0.781SS**  trans45.6123133.3-73.3-176170.8-175.80125.7
494Q34.1Very low30.5Very low148 Ų148155.2 Ų155.269%0.69279%0.788SS**  86.6113.9121-72.8-179.4-45.700125.2
495Q29.7Very low30.2Very low152 Ų152154.9 Ų154.971%0.7179%0.786SS**  53.6129.7128.7-75.9-174.95.300120.8
496K30.4Very low30Very low170 Ų170155.1 Ų155.174%0.73979%0.787SS**  -179.5149.152.3-124165.8-167.3-177.50114.3
497T31.2Very low29.8Very low125 Ų125151.7 Ų151.777%0.76778%0.778SS**  trans62.8107.1150.342.60000125.2
498Y23.3Very low29.6Very low225 Ų225154 Ų15488%0.88278%0.783SS**  34.1112.5126.8-102.2-101000121.5
499S27.7Very low29.5Very low106 Ų106148.3 Ų148.374%0.74178%0.775SS**  177.6154.3106.245.90000113.3
500Q33.5Very low29.2Very low178 Ų178145.3 Ų145.383%0.83277%0.773SS**  trans70.3105.1165.3-64.9175.9-800121.1
501Y25.6Very low29Very low221 Ų221148.3 Ų148.387%0.86777%0.767SS**  trans55.2129.8134.1-82.9-90.3000123.8
502K26.2Very low29.1Very low173 Ų173148.9 Ų148.975%0.75276%0.757SS**  trans84.1113.2154-74.2-174.1174.1-177.70121
503Q27.6Very low28.9Very low155 Ų155154.8 Ų154.872%0.72476%0.763SS**  trans77142.9139.6-64.7173-5900119.2
504L26.8Very low28.7Very low158 Ų158150.6 Ų150.683%0.82776%0.755SS**  trans74.9143.3-179.8-53.2159.9000113.7
505D27.5Very low28.7Very low125 Ų125150.3 Ų150.367%0.66876%0.763SS**  cis-161.7160.6-11.3-138.4-37.6000111.7
506S27.6Very low28.8Very low96 Ų96149.6 Ų149.667%0.67176%0.76SS**  trans53.5149.3147.1-70.20000126.2
507S28.7Very low28.7Very low104 Ų104149.5 Ų149.573%0.72777%0.767SS**  trans58.4124.2161.149.50000118.5
508D26.3Very low28.6Very low153 Ų153152.9 Ų152.982%0.81877%0.774SS**  cis-154127.228.5-89.3-38.6000111.2
509V28.9Very low28.9Very low123 Ų123150.1 Ų150.175%0.74577%0.773SS**  trans-148.8114.2158.6-167.40000110.8Y511V509-Y511 HydrophobicContact CB-CD2 4.47Å; V509-Y511 HydrophobicContact CG1-CD2 3.63Å; V509-Y511 HydrophobicContact CG1-CE2 3.64Å
510T26.3Very low28.9Very low142 Ų142157.5 Ų157.587%0.87179%0.785SS**  trans-76.9122.2166.744.40000110.4
511Y29.6Very low28.6Very low185 Ų185151.9 Ų151.973%0.72578%0.775SS**  trans-117.9131.8172.5-101.9-78000111.1Y32 V509Y32-Y511 HydrophobicContact CE2-CD1 4.02Å; Y32-Y511 HydrophobicContact CE2-CE1 4.15Å; V509-Y511 HydrophobicContact CB-CD2 4.47Å; V509-Y511 HydrophobicContact CG1-CD2 3.63Å; V509-Y511 HydrophobicContact CG1-CE2 3.64Å
512E32.4Very low29.1Very low132 Ų132147.2 Ų147.262%0.61777%0.77SS**PPolyproline II helixtrans-80.7153-177.5-57.4168.4107.700112.2Y32Y32-E512 WeakPolarHBondContact OH-CB 3.32Å; Y32-E512 PolarHBondContact OH-N 3.24Å; Y32-E512 PolarHBondContact OH-OE2 2.85Å
513K29.7Very low29.6Very low193 Ų193142.7 Ų142.784%0.83976%0.76SS**PPolyproline II helixtrans-78.3129176.9-78.4175.7173.3171.20111.6
514P30.3Very low30.4Very low99 Ų99140.1 Ų140.164%0.64375%0.75SS**PPolyproline II helixtrans-73.3136.9162.6-13.829.7000111.9
515T33.7Very low31.4Very low141 Ų141142.2 Ų142.287%0.86575%0.747SS**  trans-34.4131171.232.70000117
516Q30.8Very low32.8Very low138 Ų138140.3 Ų140.365%0.64574%0.743SS**  trans-78.3146.2165.7-73.3-171.5-6.600112.1L524Q516-L524 VanDerWaalsContact OE1-CD2 3.32Å
517L29.9Very low34.7Very low168 Ų168137.1 Ų137.188%0.8872%0.72SS**  trans-63.1132.8164.2-106.372.8000110.5L519L517-L519 PolarHBondContact O-N 3.04Å; L517-L519 VanDerWaalsContact O-N 3.1Å
518H27.6Very low37.1Very low196 Ų196132.7 Ų132.791%0.90769%0.689SS**  trans-65.7105.9175.5-85.1101.1000112.2
519L29.9Very low39.8Very low167 Ų167126.5 Ų126.587%0.87466%0.657SS**  trans-96.3127.8150.2-80.5167.8000108.4L517 G521L517-L519 PolarHBondContact O-N 3.04Å; L517-L519 VanDerWaalsContact O-N 3.1Å; L519-G521 PolarHBondContact O-N 3.45Å
520R28Very low42.1Very low260 Ų260121.8 Ų121.898%0.98163%0.634SS**SBendtrans-64.2121.5178.4-88.7177.4164.1166.2-5.9110.7
521G27.8Very low44.5Very low60 Ų60119.5 Ų119.562%0.61961%0.613SS**SBendtrans124.8126.1158.500000115.3L519L519-G521 PolarHBondContact O-N 3.45Å
522T35.4Very low46.7Very low124 Ų124116 Ų11676%0.76161%0.607SS**SBendtrans72.8133.1-178.273.30000115.5
523S38Very low49.1Very low78 Ų78113 Ų11355%0.54560%0.595SS.*  trans-72.1133.6179.4178.90000109.8R525 S526S523-R525 PolarHBondContact O-N 3.04Å; S523-R525 VanDerWaalsContact O-N 3.11Å; S523-S526 PolarHBondContact O-N 3.05Å; S523-S526 PolarHBondContact O-OG 2.87Å
524L43.2Very low51.5Low100 Ų100104.1 Ų104.152%0.52456%0.557SS.*G310 helixtrans-56.9-31.9-180-74.6150.3000112.5Q516 S526 T527 G530Q516-L524 VanDerWaalsContact OE1-CD2 3.32Å; L524-S526 VanDerWaalsContact C-N 3.26Å; L524-S526 PolarHBondContact O-N 3.5Å; L524-T527 PolarHBondContact O-N 2.98Å; L524-T527 PolarHBondContact O-OG1 2.88Å; L524-G530 WeakPolarHBondContact O-CA 3.24Å
525R48.6Very low53.9Low203 Ų203101.9 Ų101.977%0.76654%0.541SS*.G310 helixtrans-67-16.7174.4-78.3-174.9176.4-117.91114.7S523S523-R525 PolarHBondContact O-N 3.04Å; S523-R525 VanDerWaalsContact O-N 3.11Å
526S57Low56.2Low84 Ų84102.3 Ų102.359%0.58753%0.531SS*.G310 helixtrans-90.12.5174.260.30000113.6S523 L524S523-S526 PolarHBondContact O-N 3.05Å; S523-S526 PolarHBondContact O-OG 2.87Å; L524-S526 VanDerWaalsContact C-N 3.26Å; L524-S526 PolarHBondContact O-N 3.5Å
527T66.6Low58.6Low30 Ų30100.9 Ų100.918%0.18452%0.52CS..SBendtrans-98.5149.2172.771.90000110.8L524 C529 G530 N545L524-T527 PolarHBondContact O-N 2.98Å; L524-T527 PolarHBondContact O-OG1 2.88Å; T527-C529 PolarHBondContact O-N 3.33Å; T527-G530 WeakPolarHBondContact O-CA 3.33Å; T527-G530 PolarHBondContact O-N 3.21Å; T527-N545 WeakPolarHBondContact CB-ND2 3.02Å; T527-N545 PolarHBondContact OG1-ND2 3.23Å; T527-N545 VanDerWaalsContact OG1-ND2 3.13Å
528P79.1Confident61.2Low10 Ų1093.1 Ų93.17%0.06548%0.479CS..G310 helixtrans-49.3-48.9176.5-33.238.6000114.2G530 Q531 I534 N545 G548 D549 Y551P528-G530 PolarHBondContact O-N 2.78Å; P528-G530 VanDerWaalsContact O-N 3.07Å; P528-Q531 WeakPolarHBondContact O-CB 3.36Å; P528-Q531 PolarHBondContact O-N 2.8Å; P528-I534 HydrophobicContact CB-CD1 3.86Å; P528-I534 WeakPolarHBondContact O-CB 3.32Å; P528-I534 VanDerWaalsContact O-CD1 3.31Å; P528-I534 WeakPolarHBondContact O-CD1 3.31Å; P528-I534 WeakPolarHBondContact O-CG2 3.38Å; P528-N545 WeakPolarHBondContact CD-OD1 3.33Å; P528-G548 WeakPolarHBondContact CD-O 3.42Å; P528-G548 VanDerWaalsContact CG-O 3.23Å; P528-G548 WeakPolarHBondContact CG-O 3.02Å; P528-D549 VanDerWaalsContact CG-C 3.41Å; P528-Y551 HydrophobicContact CB-CD1 4.06Å; P528-Y551 HydrophobicContact CB-CG 4.37Å
529C82.9Confident63.5Low23 Ų2389.6 Ų89.616%0.15547%0.467CS..G310 helixtrans-70.2-1.5177.2-62.90000114.6T527 V535 C543 L544 N545T527-C529 PolarHBondContact O-N 3.33Å; C529-V535 WeakPolarHBondContact O-CG2 3.17Å; C529-C543 WeakPolarHBondContact CA-SG 3.38Å; C529-C543 HydrophobicContact CB-CB 3.68Å; C529-C543 WeakPolarHBondContact CB-SG 3.38Å; C529-C543 WeakPolarHBondContact SG-CB 3.29Å; C529-C543 PolarHBondContact SG-O 3.1Å; C529-C543 CovalentContact SG-SG 2.04Å; C529-C543 PolarHBondContact SG-SG 3.27Å; C529-L544 PolarHBondContact SG-N 3.45Å; C529-N545 WeakPolarHBondContact CB-OD1 3.47Å; C529-N545 PolarHBondContact N-OD1 2.03Å; C529-N545 PolarHBondContact SG-OD1 3.23Å; C529-N545 VanDerWaalsContact SG-OD1 3.39Å
530G76.6Confident65.9Low25 Ų2581.7 Ų81.726%0.25843%0.426SS..G310 helixtrans-95.5-0.8168.800000114.5L524 T527 P528L524-G530 WeakPolarHBondContact O-CA 3.24Å; T527-G530 WeakPolarHBondContact O-CA 3.33Å; T527-G530 PolarHBondContact O-N 3.21Å; P528-G530 PolarHBondContact O-N 2.78Å; P528-G530 VanDerWaalsContact O-N 3.07Å
531Q78.5Confident68.6Low94 Ų9470.4 Ų70.444%0.43939%0.391SS..SBendtrans-91.8128.2174.6-58.5-177.7-16.500110.2P528 D533 I534 V535P528-Q531 WeakPolarHBondContact O-CB 3.36Å; P528-Q531 PolarHBondContact O-N 2.8Å; Q531-D533 VanDerWaalsContact C-N 3.25Å; Q531-D533 WeakPolarHBondContact CB-OD1 3.43Å; Q531-D533 PolarHBondContact O-N 2.69Å; Q531-I534 HydrophobicContact CB-CB 4.4Å; Q531-I534 HydrophobicContact CB-CD1 4.26Å; Q531-I534 HydrophobicContact CB-CG1 4.42Å; Q531-I534 PolarHBondContact O-N 2.66Å; Q531-I534 VanDerWaalsContact O-N 3.07Å; Q531-V535 WeakPolarHBondContact O-CG2 3.32Å; Q531-V535 PolarHBondContact O-N 3.48Å
532D75.4Confident71.2Confident110 Ų11072.1 Ų72.159%0.58839%0.385SS*.Hα-helixtrans-63.7-26.8-171.9-65-44000113.7K536D532-K536 WeakPolarHBondContact O-CB 3.47Å; D532-K536 VanDerWaalsContact O-CG 3.25Å; D532-K536 WeakPolarHBondContact O-CG 3.32Å; D532-K536 PolarHBondContact O-N 2.77Å
533D81.6Confident73.6Confident69 Ų6967.8 Ų67.837%0.36936%0.359SS..Hα-helixtrans-72.1-36175.275.4-55.9000112Q531 R537Q531-D533 VanDerWaalsContact C-N 3.25Å; Q531-D533 WeakPolarHBondContact CB-OD1 3.43Å; Q531-D533 PolarHBondContact O-N 2.69Å; D533-R537 WeakPolarHBondContact O-CG 3.29Å; D533-R537 PolarHBondContact O-N 3.15Å; D533-R537 VanDerWaalsContact O-N 3.13Å; D533-R537 IonicContact OD2-CZ 2.71Å; D533-R537 IonicContact OD2-NH1 2.61Å; D533-R537 PolarHBondContact OD2-NH1 2.92Å; D533-R537 IonicContact OD2-NH2 3.44Å; D533-R537 PolarHBondContact OD2-NH2 3.32Å
534I81.5Confident75.7Confident8 Ų867.3 Ų67.34%0.04135%0.35CS..Hα-helixtrans-70.5-44.1174.7-71175.3000110.4P528 Q531 K536 R537 C538 C543 Y551P528-I534 HydrophobicContact CB-CD1 3.86Å; P528-I534 WeakPolarHBondContact O-CB 3.32Å; P528-I534 VanDerWaalsContact O-CD1 3.31Å; P528-I534 WeakPolarHBondContact O-CD1 3.31Å; P528-I534 WeakPolarHBondContact O-CG2 3.38Å; Q531-I534 HydrophobicContact CB-CB 4.4Å; Q531-I534 HydrophobicContact CB-CD1 4.26Å; Q531-I534 HydrophobicContact CB-CG1 4.42Å; Q531-I534 PolarHBondContact O-N 2.66Å; Q531-I534 VanDerWaalsContact O-N 3.07Å; I534-K536 VanDerWaalsContact C-N 3.31Å; I534-K536 PolarHBondContact O-N 3.31Å; I534-R537 WeakPolarHBondContact O-CB 3.13Å; I534-R537 PolarHBondContact O-N 3.09Å; I534-R537 VanDerWaalsContact O-N 3.09Å; I534-C538 PolarHBondContact O-N 3.1Å; I534-C538 VanDerWaalsContact O-N 3.09Å; I534-C543 VanDerWaalsContact CG2-SG 3.59Å; I534-Y551 HydrophobicContact CD1-CD1 3.7Å; I534-Y551 HydrophobicContact CD1-CE1 3.55Å; I534-Y551 HydrophobicContact CD1-CG 4.46Å; I534-Y551 HydrophobicContact CG1-CD1 4.23Å; I534-Y551 HydrophobicContact CG1-CE1 3.75Å; I534-Y551 HydrophobicContact CG1-CE2 4.45Å; I534-Y551 HydrophobicContact CG2-CD1 4.04Å; I534-Y551 HydrophobicContact CG2-CD2 3.57Å; I534-Y551 HydrophobicContact CG2-CE1 4.15Å; I534-Y551 HydrophobicContact CG2-CE2 3.69Å; I534-Y551 HydrophobicContact CG2-CG 3.75Å
535V79.6Confident77.6Confident52 Ų5266 Ų6632%0.31534%0.344SS..Hα-helixtrans-56.6-46.8174.1176.40000110.5C529 Q531 R537 C538 N539C529-V535 WeakPolarHBondContact O-CG2 3.17Å; Q531-V535 WeakPolarHBondContact O-CG2 3.32Å; Q531-V535 PolarHBondContact O-N 3.48Å; V535-R537 VanDerWaalsContact C-N 3.31Å; V535-R537 PolarHBondContact O-N 2.89Å; V535-C538 CarbonylContact O-C 3.6Å; V535-C538 PolarHBondContact O-N 3.44Å; V535-C538 VanDerWaalsContact O-N 3.1Å; V535-N539 PolarHBondContact O-N 2.93Å
536K82.2Confident78.9Confident149 Ų14962.1 Ų62.165%0.64834%0.338SS*.Hα-helixtrans-61-33.1176.1-77173-178.3179.50113.7D532 I534 N539D532-K536 WeakPolarHBondContact O-CB 3.47Å; D532-K536 VanDerWaalsContact O-CG 3.25Å; D532-K536 WeakPolarHBondContact O-CG 3.32Å; D532-K536 PolarHBondContact O-N 2.77Å; I534-K536 VanDerWaalsContact C-N 3.31Å; I534-K536 PolarHBondContact O-N 3.31Å; K536-N539 WeakPolarHBondContact O-CB 3.07Å; K536-N539 PolarHBondContact O-N 3.09Å
537R82Confident79.1Confident109 Ų10960.7 Ų60.741%0.41134%0.336SS..Hα-helixtrans-69.3-35.9174.1-72.4178.1-164.7115.811.4112.1D533 I534 V535 N539 Y551 R566 A567 C568D533-R537 WeakPolarHBondContact O-CG 3.29Å; D533-R537 PolarHBondContact O-N 3.15Å; D533-R537 VanDerWaalsContact O-N 3.13Å; D533-R537 IonicContact OD2-CZ 2.71Å; D533-R537 IonicContact OD2-NH1 2.61Å; D533-R537 PolarHBondContact OD2-NH1 2.92Å; D533-R537 IonicContact OD2-NH2 3.44Å; D533-R537 PolarHBondContact OD2-NH2 3.32Å; I534-R537 WeakPolarHBondContact O-CB 3.13Å; I534-R537 PolarHBondContact O-N 3.09Å; I534-R537 VanDerWaalsContact O-N 3.09Å; V535-R537 VanDerWaalsContact C-N 3.31Å; V535-R537 PolarHBondContact O-N 2.89Å; R537-N539 VanDerWaalsContact C-N 3.31Å; R537-N539 PolarHBondContact O-N 3.25Å; R537-Y551 WeakPolarHBondContact CD-OH 3.04Å; R537-Y551 PolarHBondContact NH1-OH 2.8Å; R537-R566 WeakPolarHBondContact CB-O 3.49Å; R537-A567 HydrophobicContact CB-CB 4.04Å; R537-A567 WeakPolarHBondContact O-CA 3.44Å; R537-A567 WeakPolarHBondContact O-CB 3.05Å; R537-C568 PolarHBondContact O-N 2.84Å; R537-C568 VanDerWaalsContact O-N 3.12Å
538C83.8Confident79.2Confident4 Ų462.4 Ų62.43%0.02736%0.359CS..THydrogen-bonded Turntrans-84.112.6175.8-58.10000114.4I534 V535 G540 G541 C543 C553I534-C538 PolarHBondContact O-N 3.1Å; I534-C538 VanDerWaalsContact O-N 3.09Å; V535-C538 CarbonylContact O-C 3.6Å; V535-C538 PolarHBondContact O-N 3.44Å; V535-C538 VanDerWaalsContact O-N 3.1Å; C538-G540 PolarHBondContact O-N 3.01Å; C538-G541 CarbonylContact O-C 3.57Å; C538-G541 WeakPolarHBondContact O-CA 3.38Å; C538-G541 PolarHBondContact O-N 2.87Å; C538-C543 HydrophobicContact CB-CB 4.09Å; C538-C553 WeakPolarHBondContact CA-SG 3.07Å; C538-C553 HydrophobicContact CB-CB 3.74Å; C538-C553 WeakPolarHBondContact CB-SG 3.42Å; C538-C553 WeakPolarHBondContact SG-CB 3.31Å; C538-C553 CovalentContact SG-SG 2.04Å; C538-C553 PolarHBondContact SG-SG 2.96Å
539N76Confident78.8Confident122 Ų12269.3 Ų69.365%0.65240%0.396SS*.THydrogen-bonded Turntrans-58.8-2.7-174.2-101.62.7000116.9V535 K536 R537V535-N539 PolarHBondContact O-N 2.93Å; K536-N539 WeakPolarHBondContact O-CB 3.07Å; K536-N539 PolarHBondContact O-N 3.09Å; R537-N539 VanDerWaalsContact C-N 3.31Å; R537-N539 PolarHBondContact O-N 3.25Å
540G80.5Confident78.5Confident1 Ų169.1 Ų69.11%0.0140%0.398CS..THydrogen-bonded Turntrans-112.820.3170.700000114.1C538 L556 Y559C538-G540 PolarHBondContact O-N 3.01Å; G540-L556 PolarHBondContact O-N 2.97Å; G540-Y559 VanDerWaalsContact CA-CD1 3.45Å
541G83.4Confident78.9Confident24 Ų2469 Ų6925%0.24739%0.39CS..EExtended strand (participates in β ladder)trans-171.7-169.5-168.600000114C538 E554C538-G541 CarbonylContact O-C 3.57Å; C538-G541 WeakPolarHBondContact O-CA 3.38Å; C538-G541 PolarHBondContact O-N 2.87Å; G541-E554 CarbonylContact C-O 3.59Å; G541-E554 WeakPolarHBondContact CA-O 3.25Å
542I83.3Confident79.3Confident96 Ų9668.4 Ų68.449%0.49239%0.386SS..EExtended strand (participates in β ladder)trans-107.1128179.8-56174.8000108.9L544 C553 E554I542-L544 HydrophobicContact CG2-CD2 4.1Å; I542-C553 CarbonylContact O-C 3.54Å; I542-C553 WeakPolarHBondContact O-CA 3.03Å; I542-E554 HydrophobicContact CB-CB 4.38Å; I542-E554 PolarHBondContact N-O 2.86Å; I542-E554 PolarHBondContact O-N 3.49Å
543C85Confident79.9Confident32 Ų3263.2 Ų63.222%0.21636%0.358CS..EExtended strand (participates in β ladder)trans-82.7123.8174.4-168.90000111C529 I534 C538 F552C529-C543 WeakPolarHBondContact CA-SG 3.38Å; C529-C543 HydrophobicContact CB-CB 3.68Å; C529-C543 WeakPolarHBondContact CB-SG 3.38Å; C529-C543 WeakPolarHBondContact SG-CB 3.29Å; C529-C543 PolarHBondContact SG-O 3.1Å; C529-C543 CovalentContact SG-SG 2.04Å; C529-C543 PolarHBondContact SG-SG 3.27Å; I534-C543 VanDerWaalsContact CG2-SG 3.59Å; C538-C543 HydrophobicContact CB-CB 4.09Å; C543-F552 WeakPolarHBondContact CA-O 3.41Å
544L83.2Confident80.1Confident69 Ų6964.9 Ų64.936%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-110.8122.6177.3-56.7178.1000110C529 I542 Y551 F552 E554C529-L544 PolarHBondContact SG-N 3.45Å; I542-L544 HydrophobicContact CG2-CD2 4.1Å; L544-Y551 CarbonylContact O-C 3.58Å; L544-Y551 VanDerWaalsContact O-CA 3.23Å; L544-Y551 WeakPolarHBondContact O-CA 3.44Å; L544-F552 PolarHBondContact N-O 3.29Å; L544-F552 PolarHBondContact O-N 2.04Å; L544-E554 HydrophobicContact CD1-CB 4.23Å
545N82.3Confident80.3Confident73 Ų7366 Ų6639%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-75.4127.3173.9-76.1-47.4000110.2T527 P528 C529T527-N545 WeakPolarHBondContact CB-ND2 3.02Å; T527-N545 PolarHBondContact OG1-ND2 3.23Å; T527-N545 VanDerWaalsContact OG1-ND2 3.13Å; P528-N545 WeakPolarHBondContact CD-OD1 3.33Å; C529-N545 WeakPolarHBondContact CB-OD1 3.47Å; C529-N545 PolarHBondContact N-OD1 2.03Å; C529-N545 PolarHBondContact SG-OD1 3.23Å; C529-N545 VanDerWaalsContact SG-OD1 3.39Å
546L77.5Confident80.3Confident121 Ų12168 Ų6863%0.63438%0.38SS*.EExtended strand (participates in β ladder)trans-99.6-0.9178.8-60179.4000113.6G550 F552L546-G550 PolarHBondContact N-O 3.04Å; L546-F552 HydrophobicContact CD1-CB 4.2Å; L546-F552 HydrophobicContact CG-CB 4.49Å
547G60.5Low80.1Confident54 Ų5467.4 Ų67.456%0.55739%0.392SS*.EExtended strand (participates in β ladder)trans95.5148.3-175.100000113D549 G550G547-D549 PolarHBondContact O-N 3.27Å; G547-G550 PolarHBondContact O-N 2.8Å; G547-G550 VanDerWaalsContact O-N 3.14Å
548G69.1Low79.7Confident65 Ų6565.9 Ų65.967%0.6740%0.398SS*.THydrogen-bonded Turntrans56.9-135.8-168.400000111.1P528 G550P528-G548 WeakPolarHBondContact CD-O 3.42Å; P528-G548 VanDerWaalsContact CG-O 3.23Å; P528-G548 WeakPolarHBondContact CG-O 3.02Å; G548-G550 PolarHBondContact O-N 3.17Å
549D70.3Confident79.7Confident156 Ų15669.3 Ų69.383%0.83441%0.411SS*.THydrogen-bonded Turntrans-82.66.7177.8-53.2-30.9000113.4P528 G547P528-D549 VanDerWaalsContact CG-C 3.41Å; G547-D549 PolarHBondContact O-N 3.27Å
550G76.4Confident79.9Confident19 Ų1967.6 Ų67.620%0.19640%0.401CS..EExtended strand (participates in β ladder)trans-85.5133.8-173.700000114.5L546 G547 G548L546-G550 PolarHBondContact N-O 3.04Å; G547-G550 PolarHBondContact O-N 2.8Å; G547-G550 VanDerWaalsContact O-N 3.14Å; G548-G550 PolarHBondContact O-N 3.17Å
551Y85.6Confident79.9Confident23 Ų2370 Ų709%0.0942%0.421CS..EExtended strand (participates in β ladder)trans-141163169.469-80.2000112.2P528 I534 R537 L544 R566P528-Y551 HydrophobicContact CB-CD1 4.06Å; P528-Y551 HydrophobicContact CB-CG 4.37Å; I534-Y551 HydrophobicContact CD1-CD1 3.7Å; I534-Y551 HydrophobicContact CD1-CE1 3.55Å; I534-Y551 HydrophobicContact CD1-CG 4.46Å; I534-Y551 HydrophobicContact CG1-CD1 4.23Å; I534-Y551 HydrophobicContact CG1-CE1 3.75Å; I534-Y551 HydrophobicContact CG1-CE2 4.45Å; I534-Y551 HydrophobicContact CG2-CD1 4.04Å; I534-Y551 HydrophobicContact CG2-CD2 3.57Å; I534-Y551 HydrophobicContact CG2-CE1 4.15Å; I534-Y551 HydrophobicContact CG2-CE2 3.69Å; I534-Y551 HydrophobicContact CG2-CG 3.75Å; R537-Y551 WeakPolarHBondContact CD-OH 3.04Å; R537-Y551 PolarHBondContact NH1-OH 2.8Å; L544-Y551 CarbonylContact O-C 3.58Å; L544-Y551 VanDerWaalsContact O-CA 3.23Å; L544-Y551 WeakPolarHBondContact O-CA 3.44Å; Y551-R566 HydrophobicContact CE2-CB 3.99Å; Y551-R566 HydrophobicContact CE2-CG 4.12Å
552F86.4Confident79.8Confident81 Ų8171.5 Ų71.536%0.35542%0.423SS..EExtended strand (participates in β ladder)trans-138.1143.6171.7-172.7-94000110C543 L544 L546 G565C543-F552 WeakPolarHBondContact CA-O 3.41Å; L544-F552 PolarHBondContact N-O 3.29Å; L544-F552 PolarHBondContact O-N 2.04Å; L546-F552 HydrophobicContact CD1-CB 4.2Å; L546-F552 HydrophobicContact CG-CB 4.49Å; F552-G565 CarbonylContact C-O 3.55Å; F552-G565 WeakPolarHBondContact CA-O 3.36Å
553C86.9Confident79.4Confident0 Ų072 Ų720%043%0.426CS..EExtended strand (participates in β ladder)trans-102.5109.6173.6-52.60000109.5C538 I542 C555 G565 R566 C568C538-C553 WeakPolarHBondContact CA-SG 3.07Å; C538-C553 HydrophobicContact CB-CB 3.74Å; C538-C553 WeakPolarHBondContact CB-SG 3.42Å; C538-C553 WeakPolarHBondContact SG-CB 3.31Å; C538-C553 CovalentContact SG-SG 2.04Å; C538-C553 PolarHBondContact SG-SG 2.96Å; I542-C553 CarbonylContact O-C 3.54Å; I542-C553 WeakPolarHBondContact O-CA 3.03Å; C553-C555 PolarHBondContact O-N 3.36Å; C553-G565 PolarHBondContact N-O 3.18Å; C553-R566 PolarHBondContact SG-O 3.31Å; C553-C568 VanDerWaalsContact CB-SG 3.57Å
554E86.9Confident78.8Confident104 Ų10471.7 Ų71.749%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-80.499.3171.9-176.6177.6-169.800109.1G541 I542 L544G541-E554 CarbonylContact C-O 3.59Å; G541-E554 WeakPolarHBondContact CA-O 3.25Å; I542-E554 HydrophobicContact CB-CB 4.38Å; I542-E554 PolarHBondContact N-O 2.86Å; I542-E554 PolarHBondContact O-N 3.49Å; L544-E554 HydrophobicContact CD1-CB 4.23Å
555C85.5Confident78.6Confident33 Ų3368.6 Ų68.622%0.22341%0.414CS..EExtended strand (participates in β ladder)trans-75.1142.6-171.5-54.90000113.3C553 Y559 A561 C568C553-C555 PolarHBondContact O-N 3.36Å; C555-Y559 WeakPolarHBondContact CB-O 3.31Å; C555-A561 VanDerWaalsContact SG-CA 3.54Å; C555-C568 WeakPolarHBondContact CA-SG 3Å; C555-C568 HydrophobicContact CB-CB 3.85Å; C555-C568 WeakPolarHBondContact CB-SG 3.3Å; C555-C568 WeakPolarHBondContact SG-CA 3.15Å; C555-C568 WeakPolarHBondContact SG-CB 3.02Å; C555-C568 CovalentContact SG-SG 2.04Å; C555-C568 PolarHBondContact SG-SG 2.96Å
556L79.4Confident78.7Confident93 Ų9369.4 Ų69.449%0.48741%0.411SS..  trans-66.5156.4172.9-65172.1000110.6G540 S558 Y559G540-L556 PolarHBondContact O-N 2.97Å; L556-S558 PolarHBondContact O-N 3.11Å; L556-Y559 HydrophobicContact CB-CD2 4.12Å; L556-Y559 WeakPolarHBondContact O-CB 3.08Å; L556-Y559 PolarHBondContact O-N 3.4Å
557P78.2Confident79Confident137 Ų13764.2 Ų64.289%0.8939%0.385SS*.THydrogen-bonded Turntrans-54.1-25.6-171.8-30.536.6000116.8Y559P557-Y559 VanDerWaalsContact C-N 3.34Å
558S73.3Confident80.2Confident77 Ų7762.2 Ų62.254%0.53836%0.363SS..THydrogen-bonded Turntrans-88.68.5176.5-45.50000114.4L556 H571L556-S558 PolarHBondContact O-N 3.11Å; S558-H571 PolarHBondContact O-N 3.28Å
559Y84.8Confident81Confident75 Ų7562.2 Ų62.229%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-128.5133.5-175.4-70.6-102.2000111.7G540 C555 L556 P557 C568 V569 K570G540-Y559 VanDerWaalsContact CA-CD1 3.45Å; C555-Y559 WeakPolarHBondContact CB-O 3.31Å; L556-Y559 HydrophobicContact CB-CD2 4.12Å; L556-Y559 WeakPolarHBondContact O-CB 3.08Å; L556-Y559 PolarHBondContact O-N 3.4Å; P557-Y559 VanDerWaalsContact C-N 3.34Å; Y559-C568 HydrophobicContact CD1-CB 4.25Å; Y559-C568 HydrophobicContact CG-CB 4.5Å; Y559-V569 CarbonylContact C-O 3.56Å; Y559-V569 VanDerWaalsContact CA-O 3.25Å; Y559-V569 WeakPolarHBondContact CA-O 2.99Å; Y559-V569 VanDerWaalsContact CD1-C 3.4Å; Y559-K570 HydrophobicContact CD1-CB 3.97Å; Y559-K570 HydrophobicContact CE1-CB 3.65Å; Y559-K570 HydrophobicContact CE1-CG 4.29Å
560L79Confident81.4Confident87 Ų8761.5 Ų61.546%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-86.7135.9172.9-152.687.3000110.4I562 C568 V569L560-I562 HydrophobicContact CD2-CG2 4.45Å; L560-C568 WeakPolarHBondContact O-CA 3.47Å; L560-V569 HydrophobicContact CB-CG2 4.28Å; L560-V569 PolarHBondContact N-O 2.96Å; L560-V569 PolarHBondContact O-N 2.91Å
561A80.4Confident81Confident51 Ų5166.4 Ų66.442%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-72.5128.8168.400000110.6C555C555-A561 VanDerWaalsContact SG-CA 3.54Å
562I81.1Confident79.5Confident55 Ų5574.8 Ų74.828%0.28239%0.394SS..EExtended strand (participates in β ladder)trans-127169.9176.459.1159.6000111.2L560 G564 G565 R566 A567 V569L560-I562 HydrophobicContact CD2-CG2 4.45Å; I562-G564 VanDerWaalsContact C-N 3.29Å; I562-G564 PolarHBondContact O-N 2.85Å; I562-G565 PolarHBondContact O-N 2.93Å; I562-R566 PolarHBondContact O-N 3.13Å; I562-A567 HydrophobicContact CD1-CB 4.16Å; I562-A567 HydrophobicContact CG1-CB 3.88Å; I562-A567 WeakPolarHBondContact CG1-O 3.08Å; I562-A567 PolarHBondContact N-O 2.77Å; I562-A567 PolarHBondContact O-N 3.26Å; I562-V569 HydrophobicContact CD1-CB 4.5Å; I562-V569 HydrophobicContact CD1-CG1 3.52Å; I562-V569 HydrophobicContact CD1-CG2 4.16Å; I562-V569 HydrophobicContact CG1-CG1 4.13Å; I562-V569 HydrophobicContact CG1-CG2 4.19Å; I562-V569 HydrophobicContact CG2-CG2 3.65Å
563N76.4Confident77.3Confident107 Ų10779.8 Ų79.857%0.57242%0.418SS*.THydrogen-bonded Turntrans55.139.9-179.5-59.4-29.8000113.3R566N563-R566 HydrophobicContact CB-CB 4.16Å; N563-R566 WeakPolarHBondContact O-CB 3.49Å; N563-R566 PolarHBondContact O-N 2.76Å
564G72Confident74.7Confident25 Ų2583.5 Ų83.526%0.25846%0.457SS..THydrogen-bonded Turntrans67.233.4-175.300000113.6I562I562-G564 VanDerWaalsContact C-N 3.29Å; I562-G564 PolarHBondContact O-N 2.85Å
565G78.7Confident71.8Confident5 Ų583.2 Ų83.25%0.05247%0.472CS..THydrogen-bonded Turntrans77.129.1-175.700000114F552 C553 I562F552-G565 CarbonylContact C-O 3.55Å; F552-G565 WeakPolarHBondContact CA-O 3.36Å; C553-G565 PolarHBondContact N-O 3.18Å; I562-G565 PolarHBondContact O-N 2.93Å
566R84.5Confident69.1Low90 Ų9088.7 Ų88.734%0.3450%0.499SS..THydrogen-bonded Turntrans-103.3-1176-70.9-179.5169.9174.4-3.8114.3R537 Y551 C553 I562 N563R537-R566 WeakPolarHBondContact CB-O 3.49Å; Y551-R566 HydrophobicContact CE2-CB 3.99Å; Y551-R566 HydrophobicContact CE2-CG 4.12Å; C553-R566 PolarHBondContact SG-O 3.31Å; I562-R566 PolarHBondContact O-N 3.13Å; N563-R566 HydrophobicContact CB-CB 4.16Å; N563-R566 WeakPolarHBondContact O-CB 3.49Å; N563-R566 PolarHBondContact O-N 2.76Å
567A84.4Confident66.6Low11 Ų1191.2 Ų91.29%0.09151%0.513CS..EExtended strand (participates in β ladder)trans-153.8159166.100000110.9R537 I562R537-A567 HydrophobicContact CB-CB 4.04Å; R537-A567 WeakPolarHBondContact O-CA 3.44Å; R537-A567 WeakPolarHBondContact O-CB 3.05Å; I562-A567 HydrophobicContact CD1-CB 4.16Å; I562-A567 HydrophobicContact CG1-CB 3.88Å; I562-A567 WeakPolarHBondContact CG1-O 3.08Å; I562-A567 PolarHBondContact N-O 2.77Å; I562-A567 PolarHBondContact O-N 3.26Å
568C85.7Confident64.1Low13 Ų1389.8 Ų89.89%0.08850%0.502CS..EExtended strand (participates in β ladder)trans-116.3129.2175.8-62.70000110.3R537 C553 C555 Y559 L560R537-C568 PolarHBondContact O-N 2.84Å; R537-C568 VanDerWaalsContact O-N 3.12Å; C553-C568 VanDerWaalsContact CB-SG 3.57Å; C555-C568 WeakPolarHBondContact CA-SG 3Å; C555-C568 HydrophobicContact CB-CB 3.85Å; C555-C568 WeakPolarHBondContact CB-SG 3.3Å; C555-C568 WeakPolarHBondContact SG-CA 3.15Å; C555-C568 WeakPolarHBondContact SG-CB 3.02Å; C555-C568 CovalentContact SG-SG 2.04Å; C555-C568 PolarHBondContact SG-SG 2.96Å; Y559-C568 HydrophobicContact CD1-CB 4.25Å; Y559-C568 HydrophobicContact CG-CB 4.5Å; L560-C568 WeakPolarHBondContact O-CA 3.47Å
569V85.1Confident61.9Low65 Ų6598.3 Ų98.339%0.39452%0.522SS..EExtended strand (participates in β ladder)trans-123.5133.8179.1-700000111.7Y559 L560 I562 H571Y559-V569 CarbonylContact C-O 3.56Å; Y559-V569 VanDerWaalsContact CA-O 3.25Å; Y559-V569 WeakPolarHBondContact CA-O 2.99Å; Y559-V569 VanDerWaalsContact CD1-C 3.4Å; L560-V569 HydrophobicContact CB-CG2 4.28Å; L560-V569 PolarHBondContact N-O 2.96Å; L560-V569 PolarHBondContact O-N 2.91Å; I562-V569 HydrophobicContact CD1-CB 4.5Å; I562-V569 HydrophobicContact CD1-CG1 3.52Å; I562-V569 HydrophobicContact CD1-CG2 4.16Å; I562-V569 HydrophobicContact CG1-CG1 4.13Å; I562-V569 HydrophobicContact CG1-CG2 4.19Å; I562-V569 HydrophobicContact CG2-CG2 3.65Å; V569-H571 PolarHBondContact O-N 2.03Å
570K77.9Confident59.4Low140 Ų140102.3 Ų102.361%0.60954%0.544SS*.EExtended strand (participates in β ladder)trans-64.1133.5-175.6-167.4176178.4-178.30110.4Y559 K572Y559-K570 HydrophobicContact CD1-CB 3.97Å; Y559-K570 HydrophobicContact CE1-CB 3.65Å; Y559-K570 HydrophobicContact CE1-CG 4.29Å; K570-K572 PolarHBondContact O-N 2.03Å
571H68.7Low56.9Low122 Ų122104.8 Ų104.857%0.56556%0.557SS**  trans-60.6128174.5-127.7-109.3000109.6S558 V569 E573S558-H571 PolarHBondContact O-N 3.28Å; V569-H571 PolarHBondContact O-N 2.03Å; H571-E573 PolarHBondContact O-N 3.24Å
572K55.2Low54.5Low199 Ų199109.7 Ų109.787%0.86558%0.576SS**  trans-89.5100.5171.4-79.1-170174.8-174.30109.3K570 G574K570-K572 PolarHBondContact O-N 2.03Å; K572-G574 PolarHBondContact O-N 3.45Å; K572-G574 VanDerWaalsContact O-N 3.16Å
573E39.5Very low52.2Low186 Ų186115.2 Ų115.287%0.86960%0.601SS**  trans-67.4105.4163.1-66.1179.5156.500108.4H571H571-E573 PolarHBondContact O-N 3.24Å
574G31.5Very low50Low79 Ų79115.2 Ų115.281%0.81461%0.609SS**  trans166.731.8-173.800000116.6K572K572-G574 PolarHBondContact O-N 3.45Å; K572-G574 VanDerWaalsContact O-N 3.16Å
575A27.1Very low48.1Very low97 Ų97122.3 Ų122.380%0.80264%0.639SS**  trans-15355.4171.500000111.2
576N29Very low45.9Very low149 Ų149130.4 Ų130.480%0.79768%0.676SS**  trans-89.4139.9164.6-86.5-9.2000109.8
577N26.6Very low43.5Very low146 Ų146132.7 Ų132.778%0.78170%0.695SS**SBendtrans84.3132.2164.6-49.6-24.5000117.9
578V26.2Very low41.1Very low107 Ų107140.6 Ų140.665%0.64873%0.734SS**  trans56.6108.3161.1-161.40000117.2
579W27.1Very low38.5Very low256 Ų256150.4 Ų150.497%0.9777%0.769SS**  -143.7100.8119.2-83.9101.4000108.5
580Q31.1Very low35.9Very low159 Ų159156.9 Ų156.974%0.74379%0.792SS**  trans-68.8155158.8-72.1171.1-5300108.8
581N26.3Very low33.6Very low138 Ų138155.6 Ų155.674%0.73880%0.8SS**  trans-8.7131158-38.1-20.3000116.2
582D30.9Very low31.9Very low154 Ų154155.4 Ų155.482%0.82481%0.813SS**  -175.3176.799.1-90.1-19.7000111.9
583E32.1Very low30.6Very low172 Ų172157.3 Ų157.380%0.80481%0.814SS**  trans-91.8162.6-151.3-56.5175.2118.500116.2
584S31Very low30.2Very low106 Ų106154.2 Ų154.274%0.74181%0.81SS**  trans63.8112.1145.867.70000120.5
585I32.2Very low30.1Very low174 Ų174157.1 Ų157.189%0.89281%0.812SS**  -140.4121.8129.1-66.2-167.3000108.1
586E32.8Very low30.1Very low176 Ų176159.6 Ų159.682%0.82281%0.812SS**  trans-86.9170.5172.1-71.8-173.7119.200112.7
587D33Very low30.4Very low138 Ų138160.4 Ų160.474%0.73882%0.816SS**  trans7392.2154.9-95.7-7.8000121.2
588I34.2Very low30.4Very low176 Ų176162.5 Ų162.590%0.90382%0.818SS**  trans-125.987137-58.5-174.8000111.3
589R31.5Very low30.7Very low220 Ų220166.6 Ų166.683%0.8383%0.83SS**  trans15.8110.4149.6-65.3178.4178.21690.3121.5
590K30.4Very low30.7Very low201 Ų201162.3 Ų162.387%0.87482%0.821SS**  11.7122.1121.2-63.3169.8-178.6163.70119.4
591S30Very low30.8Very low113 Ų113162.1 Ų162.179%0.7983%0.825SS**  158.1142.3121.459.10000109.1
592S31.5Very low30.9Very low117 Ų117162 Ų16282%0.81882%0.824SS**  cis-148.6164.139.5-66.60000113.3
593R28.5Very low30.9Very low240 Ų240165.2 Ų165.291%0.90683%0.826SS**  trans-107.7171.1-176-102.2-173.7-179.3-173.51.4112.3
594P31.3Very low30.8Very low120 Ų120164.4 Ų164.478%0.77982%0.822SS**  trans-94.3172.5-155.338.3-38.8000115.6
595V29.3Very low30.6Very low141 Ų141166.2 Ų166.286%0.85582%0.823SS**  trans-121.7131.5169.7178.20000110.6
596N28.3Very low30.5Very low148 Ų148167 Ų16779%0.79182%0.82SS**  trans-97.1143.4171.6-118.2-22.7000109
597N33.4Very low30.2Very low166 Ų166167.2 Ų167.289%0.88882%0.818SS**  trans-164147.1141.1-105.7-23.2000113.6
598K26.7Very low30Very low190 Ų190168.3 Ų168.383%0.82682%0.824SS**  trans-97.4154.3179.8-56.8169.9177.7176.70110.1
599Q33.1Very low29.6Very low194 Ų194169.2 Ų169.291%0.90782%0.822SS**  -173.8154122.3-103.6168.76.600114.9
600H28.3Very low29.4Very low165 Ų165166.9 Ų166.976%0.76483%0.826SS**  trans-69.4153.2-177.1-75.6-125.9000114.8
601N32.4Very low29.3Very low155 Ų155162.9 Ų162.983%0.82982%0.823SS**  -177.7159.499.2-97.3-37000115.3
602N27.7Very low29.4Very low135 Ų135162.7 Ų162.772%0.72282%0.819SS**  trans-75157.8-175.3-67.1-43.6000114.3
603Y30.5Very low29.2Very low223 Ų223166 Ų16688%0.87582%0.819SS**  -172.1108.5116.5-104.6-73000113.9
604H31.4Very low29.3Very low155 Ų155165.2 Ų165.272%0.71882%0.817SS**  trans29.3134.9146.7-84.2-79.7000126.1
605L25.9Very low29.5Very low144 Ų144167.1 Ų167.175%0.75482%0.816SS**  trans67.7109.9135.1-75.8162.1000119
606K30.4Very low30.2Very low190 Ų190169.1 Ų169.183%0.82681%0.809SS**  -164.8153.964.9-93.6170-179.2170.10113.2
607K26.3Very low31.6Very low181 Ų181168.2 Ų168.279%0.78780%0.8SS**  trans1125.6157-58.8178.2176.8-175.30118.1
608D28.8Very low33.5Very low160 Ų160161.6 Ų161.686%0.85677%0.767SS**  -158.6153.3104-92.6-27.7000111.9
609F26.9Very low36Very low196 Ų196152.7 Ų152.786%0.8673%0.728SS**  trans-83.8114.4-171-85.2-105.6000112
610N26.9Very low38.4Very low171 Ų171143.7 Ų143.791%0.91469%0.687SS**  trans-157.3119.5161.3-97.6-41.9000110.5
611S28Very low40.8Very low116 Ų116140.5 Ų140.581%0.81168%0.676SS**  trans-155142171.9-168.60000109.6
612P32.3Very low43.2Very low109 Ų109138.2 Ų138.271%0.70866%0.655SS**  trans-93.3153-142.2-6.925.6000115.6Y614P612-Y614 PolarHBondContact O-N 2.79Å
613F27.9Very low45.5Very low186 Ų186137.5 Ų137.582%0.81665%0.652SS**  trans-59.5117.2163.9-87.6-95.9000111Q615F613-Q615 PolarHBondContact O-N 3.32Å
614Y28.9Very low48Very low224 Ų224130.3 Ų130.388%0.87863%0.628SS**  trans-63.9104.6166.7-86.9-96.5000110.2P612 Y616P612-Y614 PolarHBondContact O-N 2.79Å; Y614-Y616 PolarHBondContact O-N 3.02Å
615Q35.7Very low50.5Low161 Ų161123 Ų12375%0.75260%0.595SS**  trans-70.4116.5163.4-80.1-174.1-17.600109.1F613 Q617F613-Q615 PolarHBondContact O-N 3.32Å; Q615-Q617 PolarHBondContact O-N 2.91Å
616Y45.5Very low53Low183 Ų183118.7 Ų118.772%0.71857%0.572SS**  trans-74.577.5174.2-127.6-88.8000109.7Y614 R639Y614-Y616 PolarHBondContact O-N 3.02Å; Y616-R639 WeakPolarHBondContact OH-CA 3.14Å
617Q56.8Low55.4Low129 Ų129115.2 Ų115.260%0.60356%0.563SS**  trans-70.2136.5172-74.2-173.4-14.600110.3Q615Q615-Q617 PolarHBondContact O-N 2.91Å
618S73.6Confident58.2Low26 Ų26109.5 Ų109.518%0.18254%0.538CS..  trans-58.8131.2172173.80000110C620 N621 N636S618-C620 PolarHBondContact O-N 3.19Å; S618-C620 PolarHBondContact OG-N 2.84Å; S618-N621 WeakPolarHBondContact O-CB 3.41Å; S618-N621 PolarHBondContact O-N 2.89Å; S618-N636 PolarHBondContact OG-ND2 3.37Å
619P79.7Confident60.9Low3 Ų3102.1 Ų102.12%0.01950%0.499CS..G310 helixtrans-58.5-30.5173.622.5-32.3000111.8N621 R622 V625 S641 Y642P619-N621 PolarHBondContact O-N 2.86Å; P619-N621 VanDerWaalsContact O-N 3.12Å; P619-R622 WeakPolarHBondContact O-CB 3.45Å; P619-R622 PolarHBondContact O-N 2.03Å; P619-V625 VanDerWaalsContact O-CB 3.24Å; P619-V625 WeakPolarHBondContact O-CB 3.17Å; P619-V625 WeakPolarHBondContact O-CG1 3.43Å; P619-V625 WeakPolarHBondContact O-CG2 3.5Å; P619-S641 WeakPolarHBondContact CG-O 3.45Å; P619-Y642 HydrophobicContact CB-CD1 4.11Å
620C83.1Confident63.5Low6 Ų698.9 Ų98.94%0.04149%0.486CS..G310 helixtrans-69.1-0.7173.7-62.50000115S618 L626 C634S618-C620 PolarHBondContact O-N 3.19Å; S618-C620 PolarHBondContact OG-N 2.84Å; C620-L626 WeakPolarHBondContact O-CD2 3.38Å; C620-C634 WeakPolarHBondContact CA-SG 3.34Å; C620-C634 HydrophobicContact CB-CB 3.67Å; C620-C634 WeakPolarHBondContact CB-SG 3.39Å; C620-C634 WeakPolarHBondContact SG-CB 3.29Å; C620-C634 PolarHBondContact SG-O 2.04Å; C620-C634 VanDerWaalsContact SG-O 3.4Å; C620-C634 CovalentContact SG-SG 2.04Å; C620-C634 PolarHBondContact SG-SG 3.21Å
621N78.6Confident66.3Low98 Ų9895.9 Ų95.952%0.52446%0.462SS..G310 helixtrans-97.5-3.4170-64.15000112.1S618 P619S618-N621 WeakPolarHBondContact O-CB 3.41Å; S618-N621 PolarHBondContact O-N 2.89Å; P619-N621 PolarHBondContact O-N 2.86Å; P619-N621 VanDerWaalsContact O-N 3.12Å
622R81.4Confident68.9Low106 Ų10690.8 Ų90.840%0.443%0.428SS..SBendtrans-85.9134.5176.3-58.8164.547.3158.7-5.6110.4P619 D624 V625 L626P619-R622 WeakPolarHBondContact O-CB 3.45Å; P619-R622 PolarHBondContact O-N 2.03Å; R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 WeakPolarHBondContact CB-OD1 3.39Å; R622-D624 IonicContact CZ-OD1 3.41Å; R622-D624 IonicContact CZ-OD2 2.66Å; R622-D624 IonicContact NE-OD1 3.18Å; R622-D624 PolarHBondContact NE-OD1 2.04Å; R622-D624 IonicContact NE-OD2 3.76Å; R622-D624 VanDerWaalsContact NH2-CG 3.33Å; R622-D624 IonicContact NH2-OD1 3.34Å; R622-D624 PolarHBondContact NH2-OD1 2.86Å; R622-D624 IonicContact NH2-OD2 2.69Å; R622-D624 PolarHBondContact NH2-OD2 3.34Å; R622-D624 PolarHBondContact O-N 2.99Å; R622-V625 HydrophobicContact CB-CB 4.33Å; R622-V625 HydrophobicContact CB-CG2 4.12Å; R622-V625 PolarHBondContact O-N 3.05Å; R622-V625 VanDerWaalsContact O-N 3.08Å; R622-L626 PolarHBondContact O-N 3.05Å
623N77.8Confident71.3Confident121 Ų12188.6 Ų88.665%0.64741%0.413SS*.Hα-helixtrans-60.5-33.8-179.6-68.3-13.6000113.2V625 L626 N627N623-V625 VanDerWaalsContact C-N 3.29Å; N623-V625 PolarHBondContact O-N 2.77Å; N623-L626 PolarHBondContact O-N 2.88Å; N623-N627 WeakPolarHBondContact O-CB 3.44Å; N623-N627 PolarHBondContact O-N 3.1Å; N623-N627 PolarHBondContact O-ND2 3.18Å; N623-N627 PolarHBondContact O-OD1 3.23Å
624D82.6Confident74Confident72 Ų7281 Ų8139%0.38538%0.383SS..Hα-helixtrans-67.5-30.6177.369.8-60.3000112.9R622 K628R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 WeakPolarHBondContact CB-OD1 3.39Å; R622-D624 IonicContact CZ-OD1 3.41Å; R622-D624 IonicContact CZ-OD2 2.66Å; R622-D624 IonicContact NE-OD1 3.18Å; R622-D624 PolarHBondContact NE-OD1 2.04Å; R622-D624 IonicContact NE-OD2 3.76Å; R622-D624 VanDerWaalsContact NH2-CG 3.33Å; R622-D624 IonicContact NH2-OD1 3.34Å; R622-D624 PolarHBondContact NH2-OD1 2.86Å; R622-D624 IonicContact NH2-OD2 2.69Å; R622-D624 PolarHBondContact NH2-OD2 3.34Å; R622-D624 PolarHBondContact O-N 2.99Å; D624-K628 WeakPolarHBondContact O-CG 3.16Å; D624-K628 PolarHBondContact O-N 2.59Å
625V83.7Confident76.6Confident1 Ų173.8 Ų73.81%0.00636%0.359CS..Hα-helixtrans-78.3-41.9175174.50000111P619 R622 N623 N627 K628 C629 C634 Y642P619-V625 VanDerWaalsContact O-CB 3.24Å; P619-V625 WeakPolarHBondContact O-CB 3.17Å; P619-V625 WeakPolarHBondContact O-CG1 3.43Å; P619-V625 WeakPolarHBondContact O-CG2 3.5Å; R622-V625 HydrophobicContact CB-CB 4.33Å; R622-V625 HydrophobicContact CB-CG2 4.12Å; R622-V625 PolarHBondContact O-N 3.05Å; R622-V625 VanDerWaalsContact O-N 3.08Å; N623-V625 VanDerWaalsContact C-N 3.29Å; N623-V625 PolarHBondContact O-N 2.77Å; V625-N627 VanDerWaalsContact C-N 3.34Å; V625-N627 PolarHBondContact O-N 2.83Å; V625-K628 PolarHBondContact O-N 3.43Å; V625-C629 PolarHBondContact O-N 2.91Å; V625-C634 WeakPolarHBondContact CG1-SG 3.23Å; V625-Y642 HydrophobicContact CB-CE1 4.46Å; V625-Y642 HydrophobicContact CG1-CD1 3.91Å; V625-Y642 HydrophobicContact CG1-CD2 3.52Å; V625-Y642 HydrophobicContact CG1-CE1 4.14Å; V625-Y642 HydrophobicContact CG1-CE2 3.77Å; V625-Y642 HydrophobicContact CG1-CG 3.6Å; V625-Y642 HydrophobicContact CG2-CD1 3.89Å; V625-Y642 HydrophobicContact CG2-CE1 3.58Å; V625-Y642 HydrophobicContact CG2-CE2 4.44Å; V625-Y642 HydrophobicContact CG2-CG 4.45Å
626L77.6Confident78.9Confident54 Ų5470 Ų7028%0.28334%0.343SS..Hα-helixtrans-60.4-42.7175.6-72.8167.2000111.7C620 R622 N623 K628 C629 Q630C620-L626 WeakPolarHBondContact O-CD2 3.38Å; R622-L626 PolarHBondContact O-N 3.05Å; N623-L626 PolarHBondContact O-N 2.88Å; L626-K628 PolarHBondContact O-N 3.29Å; L626-C629 CarbonylContact O-C 3.58Å; L626-C629 PolarHBondContact O-N 3.45Å; L626-C629 VanDerWaalsContact O-N 3.14Å; L626-Q630 PolarHBondContact O-N 3.06Å
627N81.8Confident80.6Confident117 Ų11766.4 Ų66.463%0.62634%0.336SS*.Hα-helixtrans-62.4-40.2176.1-68.9-5.9000112.2N623 V625 C629 Q630N623-N627 WeakPolarHBondContact O-CB 3.44Å; N623-N627 PolarHBondContact O-N 3.1Å; N623-N627 PolarHBondContact O-ND2 3.18Å; N623-N627 PolarHBondContact O-OD1 3.23Å; V625-N627 VanDerWaalsContact C-N 3.34Å; V625-N627 PolarHBondContact O-N 2.83Å; N627-C629 VanDerWaalsContact C-N 3.3Å; N627-C629 PolarHBondContact O-N 3.34Å; N627-Q630 VanDerWaalsContact O-CB 3.24Å; N627-Q630 WeakPolarHBondContact O-CB 3.37Å; N627-Q630 PolarHBondContact O-N 3.48Å
628K85.1Confident81.3Confident60 Ų6061.8 Ų61.826%0.26132%0.323SS..Hα-helixtrans-64.3-33.9173.7-77.2177.7170.8-158.50113D624 V625 L626 Q630 Y642 Q654 T655 G657 C658D624-K628 WeakPolarHBondContact O-CG 3.16Å; D624-K628 PolarHBondContact O-N 2.59Å; V625-K628 PolarHBondContact O-N 3.43Å; L626-K628 PolarHBondContact O-N 3.29Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 2.92Å; K628-Y642 WeakPolarHBondContact CD-OH 3.32Å; K628-Y642 PolarHBondContact NZ-OH 2.88Å; K628-Q654 PolarHBondContact NZ-O 2.88Å; K628-T655 WeakPolarHBondContact CE-O 3.5Å; K628-T655 PolarHBondContact NZ-O 2.95Å; K628-G657 VanDerWaalsContact O-CA 3.29Å; K628-G657 WeakPolarHBondContact O-CA 3.46Å; K628-C658 PolarHBondContact O-N 3.33Å
629C84.6Confident81.1Confident6 Ų671 Ų714%0.04135%0.354CS..THydrogen-bonded Turntrans-89.920.2175.4-56.80000113.3V625 L626 N627 W631 G632 C634 C644V625-C629 PolarHBondContact O-N 2.91Å; L626-C629 CarbonylContact O-C 3.58Å; L626-C629 PolarHBondContact O-N 3.45Å; L626-C629 VanDerWaalsContact O-N 3.14Å; N627-C629 VanDerWaalsContact C-N 3.3Å; N627-C629 PolarHBondContact O-N 3.34Å; C629-W631 PolarHBondContact O-N 3.31Å; C629-W631 VanDerWaalsContact O-N 3.14Å; C629-G632 CarbonylContact O-C 3.43Å; C629-G632 PolarHBondContact O-N 3.19Å; C629-C634 HydrophobicContact CB-CB 4.08Å; C629-C644 WeakPolarHBondContact CA-SG 3.22Å; C629-C644 HydrophobicContact CB-CB 3.73Å; C629-C644 WeakPolarHBondContact CB-SG 3.39Å; C629-C644 PolarHBondContact N-SG 3.34Å; C629-C644 VanDerWaalsContact SG-CA 3.58Å; C629-C644 WeakPolarHBondContact SG-CB 3.36Å; C629-C644 CovalentContact SG-SG 2.04Å; C629-C644 PolarHBondContact SG-SG 3.32Å
630Q81.9Confident80.8Confident127 Ų12775.7 Ų75.759%0.59338%0.379SS*.THydrogen-bonded Turntrans-53.5-36.2179.6176.9176.7-22.500113.3L626 N627 K628L626-Q630 PolarHBondContact O-N 3.06Å; N627-Q630 VanDerWaalsContact O-CB 3.24Å; N627-Q630 WeakPolarHBondContact O-CB 3.37Å; N627-Q630 PolarHBondContact O-N 3.48Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 2.92Å
631W85.6Confident80.6Confident108 Ų10877.9 Ų77.941%0.40939%0.394SS..THydrogen-bonded Turntrans-103.134.4178.1-53.6109.4000113.1C629 C646 L647 Y650 C658C629-W631 PolarHBondContact O-N 3.31Å; C629-W631 VanDerWaalsContact O-N 3.14Å; W631-C646 WeakPolarHBondContact O-CA 3.37Å; W631-L647 HydrophobicContact CE3-CD1 4.37Å; W631-L647 PolarHBondContact O-N 3.16Å; W631-Y650 HydrophobicContact CB-CD1 3.71Å; W631-Y650 HydrophobicContact CB-CD2 4.17Å; W631-Y650 HydrophobicContact CB-CE1 3.77Å; W631-Y650 HydrophobicContact CB-CE2 4.21Å; W631-Y650 HydrophobicContact CB-CG 3.94Å; W631-Y650 AromaticContact CD1-CE1 3.48Å; W631-Y650 VanDerWaalsContact CD1-CE1 3.48Å; W631-Y650 HydrophobicContact CD2-CE1 4.02Å; W631-Y650 HydrophobicContact CD2-CE2 4.39Å; W631-Y650 AromaticContact CD2-CZ 3.77Å; W631-Y650 HydrophobicContact CE3-CE2 4.48Å; W631-Y650 AromaticContact CG-CD1 3.93Å; W631-Y650 HydrophobicContact CG-CD1 3.93Å; W631-Y650 AromaticContact CG-CE1 3.47Å; W631-Y650 HydrophobicContact CG-CE1 3.47Å; W631-Y650 VanDerWaalsContact CG-CE1 3.47Å; W631-Y650 HydrophobicContact CG-CE2 4.29Å; W631-Y650 AromaticContact CG-CZ 3.68Å; W631-C658 HydrophobicContact CB-CB 3.77Å
632G82.4Confident80.9Confident10 Ų1075.4 Ų75.410%0.10338%0.378CS..EExtended strand (participates in β ladder)trans-172.9-167.4179.100000114.5C629 D645C629-G632 CarbonylContact O-C 3.43Å; C629-G632 PolarHBondContact O-N 3.19Å; G632-D645 CarbonylContact C-O 3.48Å; G632-D645 WeakPolarHBondContact CA-O 3.42Å
633T82.2Confident81.3Confident63 Ų6374.5 Ų74.539%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-109.7126.6178-57.30000110.2L635 C644 D645T633-L635 PolarHBondContact O-N 3.3Å; T633-C644 CarbonylContact O-C 3.35Å; T633-C644 WeakPolarHBondContact O-CA 3.42Å; T633-D645 PolarHBondContact N-O 2.92Å; T633-D645 PolarHBondContact O-N 3.49Å
634C85.3Confident81.7Confident26 Ų2668.8 Ų68.818%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-75.2116.3176.9-170.30000111.6C620 V625 C629C620-C634 WeakPolarHBondContact CA-SG 3.34Å; C620-C634 HydrophobicContact CB-CB 3.67Å; C620-C634 WeakPolarHBondContact CB-SG 3.39Å; C620-C634 WeakPolarHBondContact SG-CB 3.29Å; C620-C634 PolarHBondContact SG-O 2.04Å; C620-C634 VanDerWaalsContact SG-O 3.4Å; C620-C634 CovalentContact SG-SG 2.04Å; C620-C634 PolarHBondContact SG-SG 3.21Å; V625-C634 WeakPolarHBondContact CG1-SG 3.23Å; C629-C634 HydrophobicContact CB-CB 4.08Å
635L83.2Confident82Confident72 Ų7269.5 Ų69.538%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-97.1117.1173.1-56.5179.1000109.4T633 L637 Y642 K643 D645T633-L635 PolarHBondContact O-N 3.3Å; L635-L637 PolarHBondContact O-N 2.88Å; L635-Y642 CarbonylContact O-C 3.57Å; L635-Y642 VanDerWaalsContact O-CA 3.22Å; L635-Y642 WeakPolarHBondContact O-CA 2.99Å; L635-K643 WeakPolarHBondContact CB-O 2.98Å; L635-K643 PolarHBondContact N-O 2.79Å; L635-K643 PolarHBondContact O-N 2.03Å; L635-D645 HydrophobicContact CD1-CB 3.96Å; L635-D645 HydrophobicContact CG-CB 4.21Å
636N84.8Confident82.2Confident81 Ų8170.9 Ų70.943%0.43336%0.359SS..EExtended strand (participates in β ladder)trans-76.7118.9173.2-179.8-0.7000109.5S618 G638S618-N636 PolarHBondContact OG-ND2 3.37Å; N636-G638 PolarHBondContact OD1-N 3.24Å
637L81.2Confident82.2Confident109 Ų10972.7 Ų72.757%0.57137%0.369SS*.EExtended strand (participates in β ladder)trans-96.84.7-178.6-62.8179.1000112.8L635 S641 K643L635-L637 PolarHBondContact O-N 2.88Å; L637-S641 WeakPolarHBondContact CB-OG 3.46Å; L637-S641 PolarHBondContact N-O 3.34Å; L637-K643 HydrophobicContact CD1-CB 3.91Å; L637-K643 HydrophobicContact CG-CB 4.43Å
638G71.6Confident82.2Confident31 Ų3172.5 Ų72.532%0.3237%0.374SS..EExtended strand (participates in β ladder)trans79.1172.6-174.500000112.7N636 N640 S641N636-G638 PolarHBondContact OD1-N 3.24Å; G638-N640 PolarHBondContact O-N 3.18Å; G638-N640 VanDerWaalsContact O-N 3.11Å; G638-S641 WeakPolarHBondContact O-CB 3.49Å; G638-S641 PolarHBondContact O-N 3.13Å; G638-S641 PolarHBondContact O-OG 2.88Å
639R70Confident82Confident221 Ų22174.8 Ų74.883%0.83439%0.385SS*.THydrogen-bonded Turntrans46.343.7178.9-61.8-175.7178.4-176.7-0.3114.4Y616 S641Y616-R639 WeakPolarHBondContact OH-CA 3.14Å; R639-S641 PolarHBondContact O-N 2.72Å
640N71.8Confident82.1Confident100 Ų10076.7 Ų76.754%0.53539%0.392SS..THydrogen-bonded Turntrans63.115.2-179-140.610.1000115.1G638G638-N640 PolarHBondContact O-N 3.18Å; G638-N640 VanDerWaalsContact O-N 3.11Å
641S80.3Confident82.3Confident52 Ų5275.3 Ų75.336%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-103.515017870.30000112.6P619 L637 G638 R639P619-S641 WeakPolarHBondContact CG-O 3.45Å; L637-S641 WeakPolarHBondContact CB-OG 3.46Å; L637-S641 PolarHBondContact N-O 3.34Å; G638-S641 WeakPolarHBondContact O-CB 3.49Å; G638-S641 PolarHBondContact O-N 3.13Å; G638-S641 PolarHBondContact O-OG 2.88Å; R639-S641 PolarHBondContact O-N 2.72Å
642Y84.9Confident82.4Confident46 Ų4672.8 Ų72.818%0.1838%0.378CS..EExtended strand (participates in β ladder)trans-144.6162.6-178.566.1-82.8000111.1P619 V625 K628 L635 F652P619-Y642 HydrophobicContact CB-CD1 4.11Å; V625-Y642 HydrophobicContact CB-CE1 4.46Å; V625-Y642 HydrophobicContact CG1-CD1 3.91Å; V625-Y642 HydrophobicContact CG1-CD2 3.52Å; V625-Y642 HydrophobicContact CG1-CE1 4.14Å; V625-Y642 HydrophobicContact CG1-CE2 3.77Å; V625-Y642 HydrophobicContact CG1-CG 3.6Å; V625-Y642 HydrophobicContact CG2-CD1 3.89Å; V625-Y642 HydrophobicContact CG2-CE1 3.58Å; V625-Y642 HydrophobicContact CG2-CE2 4.44Å; V625-Y642 HydrophobicContact CG2-CG 4.45Å; K628-Y642 WeakPolarHBondContact CD-OH 3.32Å; K628-Y642 PolarHBondContact NZ-OH 2.88Å; L635-Y642 CarbonylContact O-C 3.57Å; L635-Y642 VanDerWaalsContact O-CA 3.22Å; L635-Y642 WeakPolarHBondContact O-CA 2.99Å; Y642-F652 HydrophobicContact CE2-CE2 4.47Å
643K88Confident82.5Confident88 Ų8874 Ų7438%0.38338%0.383SS..EExtended strand (participates in β ladder)trans-134.4142.1166.8173.2179.3179.1-164.10108.5L635 L637 F652L635-K643 WeakPolarHBondContact CB-O 2.98Å; L635-K643 PolarHBondContact N-O 2.79Å; L635-K643 PolarHBondContact O-N 2.03Å; L637-K643 HydrophobicContact CD1-CB 3.91Å; L637-K643 HydrophobicContact CG-CB 4.43Å; K643-F652 HydrophobicContact CB-CE1 4.19Å; K643-F652 HydrophobicContact CB-CZ 4.41Å; K643-F652 HydrophobicContact CG-CD1 3.8Å; K643-F652 HydrophobicContact CG-CE1 3.89Å; K643-F652 HydrophobicContact CG-CG 4.21Å; K643-F652 HydrophobicContact CG-CZ 4.38Å
644C87Confident82.1Confident0 Ų078.5 Ų78.50%040%0.4CS..EExtended strand (participates in β ladder)trans-89.9128.7165.9-46.60000109.2C629 T633 C646 F652 C658C629-C644 WeakPolarHBondContact CA-SG 3.22Å; C629-C644 HydrophobicContact CB-CB 3.73Å; C629-C644 WeakPolarHBondContact CB-SG 3.39Å; C629-C644 PolarHBondContact N-SG 3.34Å; C629-C644 VanDerWaalsContact SG-CA 3.58Å; C629-C644 WeakPolarHBondContact SG-CB 3.36Å; C629-C644 CovalentContact SG-SG 2.04Å; C629-C644 PolarHBondContact SG-SG 3.32Å; T633-C644 CarbonylContact O-C 3.35Å; T633-C644 WeakPolarHBondContact O-CA 3.42Å; C644-C646 PolarHBondContact O-N 3.09Å; C644-F652 HydrophobicContact CB-CD2 3.57Å; C644-F652 HydrophobicContact CB-CE2 3.86Å; C644-F652 VanDerWaalsContact N-CE2 3.26Å; C644-C658 WeakPolarHBondContact CB-SG 3.33Å
645D88.6Confident81.9Confident88 Ų8882.4 Ų82.447%0.47142%0.423SS..EExtended strand (participates in β ladder)trans-88.997.1170.4-159.235.5000108.2G632 T633 L635G632-D645 CarbonylContact C-O 3.48Å; G632-D645 WeakPolarHBondContact CA-O 3.42Å; T633-D645 PolarHBondContact N-O 2.92Å; T633-D645 PolarHBondContact O-N 3.49Å; L635-D645 HydrophobicContact CD1-CB 3.96Å; L635-D645 HydrophobicContact CG-CB 4.21Å
646C88.2Confident81.8Confident29 Ų2985.2 Ų85.220%0.19643%0.434CS..EExtended strand (participates in β ladder)trans-82.7150.7-164.7-56.30000113W631 C644 C658W631-C646 WeakPolarHBondContact O-CA 3.37Å; C644-C646 PolarHBondContact O-N 3.09Å; C646-C658 WeakPolarHBondContact CA-SG 3.38Å; C646-C658 HydrophobicContact CB-CB 3.79Å; C646-C658 WeakPolarHBondContact CB-SG 3.36Å; C646-C658 WeakPolarHBondContact SG-CA 3.11Å; C646-C658 WeakPolarHBondContact SG-CB 3.41Å; C646-C658 CovalentContact SG-SG 2.04Å; C646-C658 PolarHBondContact SG-SG 2.78Å
647L78.5Confident81.8Confident92 Ų9281.3 Ų81.348%0.48241%0.413SS..  trans-56.4155.7171.3-68171.7000111.4W631 E649 Y650W631-L647 HydrophobicContact CE3-CD1 4.37Å; W631-L647 PolarHBondContact O-N 3.16Å; L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 3.47Å; L647-Y650 HydrophobicContact CB-CD2 4.1Å; L647-Y650 WeakPolarHBondContact O-CA 3.4Å; L647-Y650 WeakPolarHBondContact O-CB 3.36Å; L647-Y650 PolarHBondContact O-N 3.17Å
648P80.1Confident82Confident113 Ų11376.6 Ų76.673%0.73439%0.389SS*.THydrogen-bonded Turntrans-55.2-31.4-169.1-30.236.6000116.5Y650 K661P648-Y650 VanDerWaalsContact C-N 3.26Å; P648-Y650 PolarHBondContact O-N 3.35Å; P648-K661 WeakPolarHBondContact O-CE 3.39Å; P648-K661 PolarHBondContact O-NZ 2.74Å
649E82.4Confident82.8Confident109 Ų10977.2 Ų77.251%0.50938%0.384SS..THydrogen-bonded Turntrans-77.2-4.3175.2-76.1-166.3-143.700114.6L647 R660 K661L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 3.47Å; E649-R660 IonicContact OE2-CZ 3.65Å; E649-R660 VanDerWaalsContact OE2-CZ 3.25Å; E649-R660 IonicContact OE2-NE 3.33Å; E649-R660 PolarHBondContact OE2-NE 2.92Å; E649-R660 IonicContact OE2-NH2 2.76Å; E649-R660 PolarHBondContact OE2-NH2 2.82Å; E649-K661 WeakPolarHBondContact O-CB 3.26Å; E649-K661 WeakPolarHBondContact O-CG 3.27Å; E649-K661 PolarHBondContact O-N 3.1Å
650Y87Confident83.5Confident45 Ų4573.9 Ų73.918%0.17637%0.372CS..EExtended strand (participates in β ladder)trans-118.9154.6-172.1-67-103.1000111.5W631 L647 P648 C658 I659 R660 K661W631-Y650 HydrophobicContact CB-CD1 3.71Å; W631-Y650 HydrophobicContact CB-CD2 4.17Å; W631-Y650 HydrophobicContact CB-CE1 3.77Å; W631-Y650 HydrophobicContact CB-CE2 4.21Å; W631-Y650 HydrophobicContact CB-CG 3.94Å; W631-Y650 AromaticContact CD1-CE1 3.48Å; W631-Y650 VanDerWaalsContact CD1-CE1 3.48Å; W631-Y650 HydrophobicContact CD2-CE1 4.02Å; W631-Y650 HydrophobicContact CD2-CE2 4.39Å; W631-Y650 AromaticContact CD2-CZ 3.77Å; W631-Y650 HydrophobicContact CE3-CE2 4.48Å; W631-Y650 AromaticContact CG-CD1 3.93Å; W631-Y650 HydrophobicContact CG-CD1 3.93Å; W631-Y650 AromaticContact CG-CE1 3.47Å; W631-Y650 HydrophobicContact CG-CE1 3.47Å; W631-Y650 VanDerWaalsContact CG-CE1 3.47Å; W631-Y650 HydrophobicContact CG-CE2 4.29Å; W631-Y650 AromaticContact CG-CZ 3.68Å; L647-Y650 HydrophobicContact CB-CD2 4.1Å; L647-Y650 WeakPolarHBondContact O-CA 3.4Å; L647-Y650 WeakPolarHBondContact O-CB 3.36Å; L647-Y650 PolarHBondContact O-N 3.17Å; P648-Y650 VanDerWaalsContact C-N 3.26Å; P648-Y650 PolarHBondContact O-N 3.35Å; Y650-C658 HydrophobicContact CD1-CB 4.36Å; Y650-C658 WeakPolarHBondContact CD1-O 3.29Å; Y650-I659 CarbonylContact C-O 3.6Å; Y650-I659 WeakPolarHBondContact CA-O 3.41Å; Y650-I659 VanDerWaalsContact CD1-C 3.43Å; Y650-R660 HydrophobicContact CD1-CB 4.18Å; Y650-R660 HydrophobicContact CE1-CB 3.96Å; Y650-R660 HydrophobicContact CE1-CG 4.39Å; Y650-K661 VanDerWaalsContact O-CE 3.28Å; Y650-K661 WeakPolarHBondContact O-CE 2.94Å
651Q85.7Confident84Confident98 Ų9874 Ų7446%0.45837%0.368SS..EExtended strand (participates in β ladder)trans-125.5145.3174.261.5179.1-8.300110I659 K661Q651-I659 HydrophobicContact CG-CD1 4.17Å; Q651-I659 HydrophobicContact CG-CG1 3.62Å; Q651-I659 PolarHBondContact N-O 3.24Å; Q651-I659 PolarHBondContact O-N 2.55Å; Q651-K661 HydrophobicContact CB-CG 4.25Å; Q651-K661 HydrophobicContact CG-CG 4.37Å
652F87.4Confident83.8Confident56 Ų5678.6 Ų78.625%0.24639%0.387CS..EExtended strand (participates in β ladder)trans-85.1130.1-178.8176.4-111.6000112.1Y642 K643 C644 Q654 G657Y642-F652 HydrophobicContact CE2-CE2 4.47Å; K643-F652 HydrophobicContact CB-CE1 4.19Å; K643-F652 HydrophobicContact CB-CZ 4.41Å; K643-F652 HydrophobicContact CG-CD1 3.8Å; K643-F652 HydrophobicContact CG-CE1 3.89Å; K643-F652 HydrophobicContact CG-CG 4.21Å; K643-F652 HydrophobicContact CG-CZ 4.38Å; C644-F652 HydrophobicContact CB-CD2 3.57Å; C644-F652 HydrophobicContact CB-CE2 3.86Å; C644-F652 VanDerWaalsContact N-CE2 3.26Å; F652-Q654 HydrophobicContact CE1-CG 4.03Å; F652-Q654 HydrophobicContact CZ-CG 4.28Å; F652-G657 CarbonylContact C-O 3.34Å; F652-G657 WeakPolarHBondContact CA-O 3.47Å
653T83.9Confident82.1Confident34 Ų3483.7 Ų83.721%0.20942%0.417CS..EExtended strand (participates in β ladder)trans-120.4147.2163.468.60000109.9T655 E656 G657 I659T653-T655 VanDerWaalsContact C-N 3.26Å; T653-T655 PolarHBondContact O-N 2.98Å; T653-E656 WeakPolarHBondContact OG1-CB 3.38Å; T653-E656 PolarHBondContact OG1-N 2.74Å; T653-E656 VanDerWaalsContact OG1-N 3.08Å; T653-G657 PolarHBondContact N-O 2.95Å; T653-G657 WeakPolarHBondContact O-CA 3.3Å; T653-G657 PolarHBondContact O-N 2.84Å; T653-G657 PolarHBondContact OG1-N 2.97Å; T653-G657 PolarHBondContact OG1-O 3.23Å; T653-I659 HydrophobicContact CG2-CD1 3.56Å; T653-I659 HydrophobicContact CG2-CG1 4.02Å
654Q73.8Confident79.8Confident159 Ų15988.6 Ų88.674%0.74344%0.438SS*.THydrogen-bonded Turntrans-69-27.5177.5-66.2-178.9-4.600112.6K628 F652K628-Q654 PolarHBondContact NZ-O 2.88Å; F652-Q654 HydrophobicContact CE1-CG 4.03Å; F652-Q654 HydrophobicContact CZ-CG 4.28Å
655T81.1Confident77.3Confident107 Ų10795.8 Ų95.866%0.65648%0.477SS*.THydrogen-bonded Turntrans-80-48.1-177.442.40000112.6K628 T653K628-T655 WeakPolarHBondContact CE-O 3.5Å; K628-T655 PolarHBondContact NZ-O 2.95Å; T653-T655 VanDerWaalsContact C-N 3.26Å; T653-T655 PolarHBondContact O-N 2.98Å
656E81.6Confident74.6Confident131 Ų13197.4 Ų97.461%0.61250%0.495SS*.THydrogen-bonded Turntrans-111.1-13.5-171-58.6179.1153.400112.7T653 I659T653-E656 WeakPolarHBondContact OG1-CB 3.38Å; T653-E656 PolarHBondContact OG1-N 2.74Å; T653-E656 VanDerWaalsContact OG1-N 3.08Å; E656-I659 HydrophobicContact CB-CG2 3.59Å
657G84.6Confident71.9Confident0 Ų0102.1 Ų102.10%053%0.528CS..EExtended strand (participates in β ladder)trans84.3-135.8-176.700000111.7K628 F652 T653 I659K628-G657 VanDerWaalsContact O-CA 3.29Å; K628-G657 WeakPolarHBondContact O-CA 3.46Å; F652-G657 CarbonylContact C-O 3.34Å; F652-G657 WeakPolarHBondContact CA-O 3.47Å; T653-G657 PolarHBondContact N-O 2.95Å; T653-G657 WeakPolarHBondContact O-CA 3.3Å; T653-G657 PolarHBondContact O-N 2.84Å; T653-G657 PolarHBondContact OG1-N 2.97Å; T653-G657 PolarHBondContact OG1-O 3.23Å; G657-I659 PolarHBondContact O-N 2.96Å
658C86.4Confident69.6Low9 Ų9106.2 Ų106.26%0.06155%0.545CS..EExtended strand (participates in β ladder)trans-80.8105.6178.5-66.80000111.5K628 W631 C644 C646 Y650K628-C658 PolarHBondContact O-N 3.33Å; W631-C658 HydrophobicContact CB-CB 3.77Å; C644-C658 WeakPolarHBondContact CB-SG 3.33Å; C646-C658 WeakPolarHBondContact CA-SG 3.38Å; C646-C658 HydrophobicContact CB-CB 3.79Å; C646-C658 WeakPolarHBondContact CB-SG 3.36Å; C646-C658 WeakPolarHBondContact SG-CA 3.11Å; C646-C658 WeakPolarHBondContact SG-CB 3.41Å; C646-C658 CovalentContact SG-SG 2.04Å; C646-C658 PolarHBondContact SG-SG 2.78Å; Y650-C658 HydrophobicContact CD1-CB 4.36Å; Y650-C658 WeakPolarHBondContact CD1-O 3.29Å
659I86.7Confident67.2Low44 Ų44108 Ų10823%0.22655%0.547CS..EExtended strand (participates in β ladder)trans-104.8144.8177.164.6171.4000110.9Y650 Q651 T653 E656 G657Y650-I659 CarbonylContact C-O 3.6Å; Y650-I659 WeakPolarHBondContact CA-O 3.41Å; Y650-I659 VanDerWaalsContact CD1-C 3.43Å; Q651-I659 HydrophobicContact CG-CD1 4.17Å; Q651-I659 HydrophobicContact CG-CG1 3.62Å; Q651-I659 PolarHBondContact N-O 3.24Å; Q651-I659 PolarHBondContact O-N 2.55Å; T653-I659 HydrophobicContact CG2-CD1 3.56Å; T653-I659 HydrophobicContact CG2-CG1 4.02Å; E656-I659 HydrophobicContact CB-CG2 3.59Å; G657-I659 PolarHBondContact O-N 2.96Å
660R85.2Confident65Low152 Ų152111.5 Ų111.557%0.57456%0.564SS**EExtended strand (participates in β ladder)trans-66.5138.5-178.4-158176.1-172-171.42.9110.4E649 Y650 I662E649-R660 IonicContact OE2-CZ 3.65Å; E649-R660 VanDerWaalsContact OE2-CZ 3.25Å; E649-R660 IonicContact OE2-NE 3.33Å; E649-R660 PolarHBondContact OE2-NE 2.92Å; E649-R660 IonicContact OE2-NH2 2.76Å; E649-R660 PolarHBondContact OE2-NH2 2.82Å; Y650-R660 HydrophobicContact CD1-CB 4.18Å; Y650-R660 HydrophobicContact CE1-CB 3.96Å; Y650-R660 HydrophobicContact CE1-CG 4.39Å; R660-I662 PolarHBondContact O-N 2.66Å
661K83.3Confident62.4Low103 Ų103115.5 Ų115.545%0.44859%0.588SS.*  trans-67.4121.8174.5-68.8171.3-179.71690108.6P648 E649 Y650 Q651 N663P648-K661 WeakPolarHBondContact O-CE 3.39Å; P648-K661 PolarHBondContact O-NZ 2.74Å; E649-K661 WeakPolarHBondContact O-CB 3.26Å; E649-K661 WeakPolarHBondContact O-CG 3.27Å; E649-K661 PolarHBondContact O-N 3.1Å; Y650-K661 VanDerWaalsContact O-CE 3.28Å; Y650-K661 WeakPolarHBondContact O-CE 2.94Å; Q651-K661 HydrophobicContact CB-CG 4.25Å; Q651-K661 HydrophobicContact CG-CG 4.37Å; K661-N663 PolarHBondContact O-N 2.87Å
662I75Confident59.9Low148 Ų148120 Ų12076%0.75961%0.607SS**  trans-85109.3175.9-58.3174.3000108R660 K664R660-I662 PolarHBondContact O-N 2.66Å; I662-K664 PolarHBondContact O-N 3.21Å
663N50Low57.5Low153 Ų153122.1 Ų122.182%0.81863%0.628SS**  trans-68.499.8169.5-75.9-6.4000109.4K661 D665K661-N663 PolarHBondContact O-N 2.87Å; N663-D665 VanDerWaalsContact C-N 3.28Å; N663-D665 PolarHBondContact O-N 2.81Å; N663-D665 VanDerWaalsContact O-N 3.13Å
664K39.6Very low55.1Low190 Ų190127.1 Ų127.183%0.82666%0.659SS**  trans-79.179.8163-77.9-172.6173.6-176.40109.3I662I662-K664 PolarHBondContact O-N 3.21Å
665D35.3Very low53.3Low151 Ų151125.3 Ų125.381%0.80766%0.661SS**  trans-171.188.9157.3-94.7-30.9000110.3N663N663-D665 VanDerWaalsContact C-N 3.28Å; N663-D665 PolarHBondContact O-N 2.81Å; N663-D665 VanDerWaalsContact O-N 3.13Å
666S30.5Very low51.1Low123 Ų123127.9 Ų127.986%0.8667%0.669SS**  trans169.684151-81.40000112
667S32.5Very low49.1Very low127 Ų127129.5 Ų129.589%0.88868%0.676SS**  trans-170.2117.3146.414.20000110.1
668Q30.7Very low46.8Very low179 Ų179136.3 Ų136.384%0.83671%0.713SS**  trans-85.3170.7164.6-70.1-171200110.5
669L29Very low44.4Very low149 Ų149140 Ų14078%0.7874%0.744SS**  trans70.6111.4173-60.1105000117.1
670Q35Very low42Very low183 Ų183144 Ų14486%0.85577%0.77SS**  -16811695.6-95.718021.200113.6
671N33.4Very low39.6Very low130 Ų130144.5 Ų144.570%0.69578%0.784SS**  trans29.8125.9143.6-65.3-36.6000123.7
672K34.1Very low37.2Very low193 Ų193144.3 Ų144.384%0.83980%0.795SS**  trans63.3139.5136-64.5178-178.8178.50118.2
673S35.5Very low35.4Very low99 Ų99143.5 Ų143.569%0.69280%0.797SS**  cis-166.9137.47.933.30000114
674T34.5Very low34.9Very low140 Ų140142.3 Ų142.386%0.85979%0.791SS**  trans64.2143.3148.348.20000123.3
675P35.7Very low34.9Very low120 Ų120140.2 Ų140.278%0.77979%0.788SS**  trans-123.9166.9-168.543.3-29.4000116.6
676I35.5Very low35.1Very low162 Ų162139.9 Ų139.983%0.83179%0.786SS**  trans-142.3109.9164.1-62.4-174.5000112.6
677H38.3Very low35.6Very low164 Ų164139.8 Ų139.876%0.75979%0.786SS**  trans48.7143.4139-90.5-90.1000126.9
678N36.4Very low36Very low144 Ų144141 Ų14177%0.7778%0.783SS**  trans82.6147.5153.7-57.8-15.3000119.3
679A36.8Very low36.5Very low87 Ų87141.7 Ų141.772%0.71978%0.783SS**  cis-161.9138.3-27.500000111.2
680T35.5Very low37.2Very low127 Ų127144.1 Ų144.178%0.77981%0.812SS**  trans-13.3135155.7-130000119.6
681L35.8Very low37.4Very low163 Ų163142.2 Ų142.285%0.85381%0.81SS**  175.9151.4107.6-95.2156.5000114.6
682S31.7Very low37.6Very low99 Ų99142.8 Ų142.869%0.69282%0.816SS**  trans-91.916717949.80000112.9
683V38.4Very low37.8Very low131 Ų131140.1 Ų140.179%0.79482%0.815SS**  -176.9146.2127.8144.70000112.7
684N38.2Very low37.9Very low128 Ų128142.5 Ų142.568%0.68482%0.822SS**  trans-49.7154.3176.4-43.8-36.1000115.9
685N39.5Very low38.1Very low146 Ų146142.6 Ų142.678%0.78182%0.82SS**  178160.693.4-101.5-39.9000115.6
686N40.7Very low38.3Very low143 Ų143144.1 Ų144.177%0.76582%0.822SS**  trans-60.6154.7172.6-59.3-52000113.1
687S40.9Very low38.5Very low122 Ų122142.9 Ų142.985%0.85382%0.822SS**  171.2142.2106.1-74.30000115.3
688N39.5Very low38.5Very low153 Ų153141.2 Ų141.282%0.81883%0.827SS**  trans-45.7160.4174.8-78.6-43.7000120
689K43Very low38.7Very low193 Ų193141 Ų14184%0.83983%0.831SS**  trans79.7108.4147.4-80.7175.3179-174.50120.3
690S43.9Very low38.8Very low200 Ų200145.9 Ų145.9100%1.39984%0.842SS**  -133.20109.1-68.70000108.8

Retrieved 690 of 690 residues in 1279.3 ms (Link to these results)

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