A0A5K4F9L6_SCHMA Loading...

Golgin subfamily A member 6-like protein 22

AlphaFold DB , UniProt , Accession A0A5K4F9L6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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
1M33.3Very low38.9Very low242 Ų242129.7 Ų129.7100%1.19273%0.727SS**  0100.40-80.2173.2164.500108.4
2V31.1Very low39.4Very low138 Ų138128 Ų12884%0.83672%0.722SS**  trans-103.6103.9171.8178.50000106.4T4V2-T4 PolarHBondContact O-N 2.94Å
3L30Very low40Very low171 Ų171123.4 Ų123.490%0.89570%0.699SS**  trans-56.6104.8172-85.2144000108.5C5L3-C5 PolarHBondContact O-N 3.02Å; L3-C5 VanDerWaalsContact O-N 3.09Å
4T33.3Very low40.5Very low136 Ų136122.4 Ų122.483%0.83470%0.699SS**  trans-75.698.2173.6-3.30000106.6V2 A6V2-T4 PolarHBondContact O-N 2.94Å; T4-A6 PolarHBondContact O-N 2.96Å
5C32.8Very low41.3Very low94 Ų94117.9 Ų117.964%0.63569%0.69SS**  trans-60.499.4176.7-155.40000108.8L3 R7L3-C5 PolarHBondContact O-N 3.02Å; L3-C5 VanDerWaalsContact O-N 3.09Å; C5-R7 PolarHBondContact O-N 3.13Å; C5-R7 VanDerWaalsContact SG-CD 3.57Å; C5-R7 VanDerWaalsContact SG-CG 3.58Å
6A38.8Very low42.6Very low94 Ų94114.5 Ų114.578%0.77767%0.666SS**  trans-76.550.1171.600000110.4T4 T8T4-A6 PolarHBondContact O-N 2.96Å; A6-T8 PolarHBondContact O-N 3.12Å
7R44.3Very low43.7Very low201 Ų201116.6 Ų116.676%0.75867%0.668SS**  trans-73.3123.7170-83.7177.4-177.6-179.1-0.4107.6C5 C9C5-R7 PolarHBondContact O-N 3.13Å; C5-R7 VanDerWaalsContact SG-CD 3.57Å; C5-R7 VanDerWaalsContact SG-CG 3.58Å; R7-C9 PolarHBondContact O-N 3.14Å
8T45.3Very low45Very low91 Ų91114.6 Ų114.656%0.55865%0.652SS**  trans-51.7107.1161.5400000107.2A6 E10A6-T8 PolarHBondContact O-N 3.12Å; T8-E10 PolarHBondContact O-N 3.36Å
9C43.7Very low46.3Very low76 Ų76114.5 Ų114.551%0.51465%0.648SS.*  trans-83.475.4175.7-74.30000107.7R7 S11 L43R7-C9 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact O-N 3.26Å; C9-L43 HydrophobicContact CB-CD2 4.1Å
10E46.7Very low47.7Very low126 Ų126110.6 Ų110.659%0.58963%0.627SS**  trans-73.1122.9166.9-73.7172.3-146.300108.5T8T8-E10 PolarHBondContact O-N 3.36Å
11S48.8Very low49.1Very low58 Ų58110.2 Ų110.241%0.40662%0.623SS.*  trans-11596.4172730000108.8C9C9-S11 PolarHBondContact O-N 3.26Å
12T45.2Very low51.2Low109 Ų109101 Ų10167%0.66958%0.58SS**  trans-104.5125.1172-54.20000108.2
13T46.7Very low53.5Low68 Ų6899.6 Ų99.642%0.41757%0.573SS.*  trans-118.7140.4167.836.80000106.6P52T13-P52 VanDerWaalsContact O-CB 3.23Å; T13-P52 WeakPolarHBondContact O-CB 3.18Å; T13-P52 WeakPolarHBondContact O-CG 3.2Å; T13-P52 VanDerWaalsContact OG1-CD 3.25Å; T13-P52 WeakPolarHBondContact OG1-CD 3.26Å; T13-P52 WeakPolarHBondContact OG1-CG 3.24Å
14P46.6Very low55.8Low109 Ų10994.9 Ų94.971%0.70855%0.548SS*.  trans-66.4160.7-178.425.2-32.1000112.2P52P14-P52 WeakPolarHBondContact O-CB 3.22Å
15G53Low57.8Low55 Ų5595.2 Ų95.257%0.56754%0.538SS*.  trans-54.3152.7175.400000112.1G53G15-G53 WeakPolarHBondContact CA-O 3.42Å
16E62.5Low59.6Low64 Ų6497.5 Ų97.530%0.29954%0.539SS..EExtended strand (participates in β ladder)trans-124115.8176.1-62178-137.800108.7R35 R37 R39 G53 E55E16-R35 IonicContact OE2-NH2 3Å; E16-R35 PolarHBondContact OE2-NH2 2.96Å; E16-R37 IonicContact OE1-CZ 3.6Å; E16-R37 IonicContact OE1-NH1 2.84Å; E16-R37 PolarHBondContact OE1-NH1 3.44Å; E16-R37 IonicContact OE1-NH2 3.53Å; E16-R37 IonicContact OE2-CZ 3.09Å; E16-R37 IonicContact OE2-NH1 2.95Å; E16-R37 PolarHBondContact OE2-NH1 3.11Å; E16-R37 IonicContact OE2-NH2 2.56Å; E16-R37 PolarHBondContact OE2-NH2 3.07Å; E16-R39 IonicContact OE1-NH2 3.45Å; E16-R39 PolarHBondContact OE1-NH2 3.37Å; E16-G53 PolarHBondContact N-O 3.34Å; E16-E55 PolarHBondContact O-N 2.84Å
17E61.7Low61.4Low151 Ų15194.6 Ų94.671%0.70652%0.519SS*.EExtended strand (participates in β ladder)trans-100.2130171.5-70.2170.3-154.300108.5E55E17-E55 WeakPolarHBondContact CA-O 2.89Å; E17-E55 HydrophobicContact CG-CB 4.29Å
18E67Low63Low80 Ų8090.1 Ų90.137%0.37451%0.514SS..EExtended strand (participates in β ladder)trans-130.4120.7178.7-160.6167173.300108.8R35 E55 E56 L57E18-R35 IonicContact OE2-CZ 2.81Å; E18-R35 IonicContact OE2-NE 2.68Å; E18-R35 PolarHBondContact OE2-NE 3.2Å; E18-R35 IonicContact OE2-NH2 3.09Å; E18-R35 PolarHBondContact OE2-NH2 2.99Å; E18-E55 PolarHBondContact N-O 2.85Å; E18-E55 VanDerWaalsContact N-O 3.12Å; E18-E56 HydrophobicContact CB-CG 4.46Å; E18-L57 PolarHBondContact O-N 2.93Å
19L69.3Low64.6Low112 Ų11286 Ų8659%0.58649%0.488SS*.EExtended strand (participates in β ladder)trans-118.8120-176.1-56.4178.8000109.9L57L19-L57 WeakPolarHBondContact CA-O 3.23Å; L19-L57 HydrophobicContact CD2-CB 3.46Å; L19-L57 VanDerWaalsContact CD2-CB 3.46Å; L19-L57 HydrophobicContact CD2-CD2 3.71Å; L19-L57 HydrophobicContact CD2-CG 4.16Å
20V74.1Confident66.1Low37 Ų3785.7 Ų85.722%0.22448%0.484CS..EExtended strand (participates in β ladder)trans-110.4101.6169.8-178.90000108.3V22 E33 L57 V58 N59V20-V22 HydrophobicContact CG1-CG2 4.07Å; V20-E33 HydrophobicContact CG2-CB 4.47Å; V20-E33 HydrophobicContact CG2-CG 4.5Å; V20-L57 PolarHBondContact N-O 3.47Å; V20-V58 HydrophobicContact CB-CG1 4.48Å; V20-V58 HydrophobicContact CB-CG2 4.38Å; V20-N59 PolarHBondContact O-N 3.22Å
21N76.8Confident67.4Low102 Ų10279.8 Ų79.855%0.54546%0.457SS..EExtended strand (participates in β ladder)trans-107.1115174.9-70.4-20.2000109.4N59N21-N59 WeakPolarHBondContact CA-O 3.16Å; N21-N59 WeakPolarHBondContact OD1-CB 3.41Å; N21-N59 PolarHBondContact OD1-ND2 3.11Å; N21-N59 VanDerWaalsContact OD1-ND2 3.12Å
22V77.8Confident68.8Low48 Ų4881.2 Ų81.229%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-120123.2173.8-169.10000108.3V20 V29 N59 V60 T61V20-V22 HydrophobicContact CG1-CG2 4.07Å; V22-V29 HydrophobicContact CB-CG1 4.01Å; V22-V29 HydrophobicContact CG1-CG1 3.33Å; V22-N59 PolarHBondContact N-O 3.34Å; V22-V60 HydrophobicContact CB-CG1 4.31Å; V22-V60 WeakPolarHBondContact O-CA 3.31Å; V22-T61 PolarHBondContact O-N 3.35Å
23T79.6Confident70.3Confident110 Ų11076.6 Ų76.668%0.67543%0.428SS*.EExtended strand (participates in β ladder)trans-128.9125177.4-53.70000109.5T61T23-T61 VanDerWaalsContact CA-O 3.29Å; T23-T61 WeakPolarHBondContact CA-O 3.47Å
24D78.7Confident71.9Confident72 Ų7280 Ų8039%0.38544%0.437SS..  trans-123.1168.4167.8-154.5-16.8000109.2Q26 V29 T61D24-Q26 PolarHBondContact OD1-N 3.21Å; D24-V29 HydrophobicContact CB-CG2 3.23Å; D24-T61 PolarHBondContact N-O 3.48Å; D24-T61 VanDerWaalsContact N-O 3.15Å
25K75.2Confident73.4Confident143 Ų14375.9 Ų75.962%0.62241%0.407SS*.SBendtrans-104.4-27.5175.4-65.2177.5-176.1171.70111.4K63K25-K63 HydrophobicContact CB-CD 4.4Å; K25-K63 HydrophobicContact CG-CD 4.35Å; K25-K63 WeakPolarHBondContact O-CB 3.44Å
26Q70.9Confident74.5Confident141 Ų14180.4 Ų80.466%0.65941%0.407SS*.SBendtrans-156.8126.9-178-64-177-21.400111D24 D62D24-Q26 PolarHBondContact OD1-N 3.21Å; Q26-D62 PolarHBondContact N-OD1 3.22Å
27G76.3Confident75.2Confident34 Ų3479.7 Ų79.735%0.35140%0.402SS..EExtended strand (participates in β ladder)trans135.5-134.6165.100000114.6Q64 G65 V66G27-Q64 PolarHBondContact N-O 3.32Å; G27-Q64 VanDerWaalsContact N-O 3.11Å; G27-G65 VanDerWaalsContact O-CA 3.31Å; G27-G65 WeakPolarHBondContact O-CA 3.34Å; G27-V66 PolarHBondContact O-N 2.89Å
28V77Confident75.8Confident106 Ų10679.6 Ų79.664%0.64240%0.395SS*.EExtended strand (participates in β ladder)trans-118.2107.5179.7-179.20000108.2V30 V66V28-V30 HydrophobicContact CG1-CG2 4.01Å; V28-V66 CarbonylContact C-O 3.57Å; V28-V66 WeakPolarHBondContact CA-O 3.45Å; V28-V66 HydrophobicContact CG1-CB 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.32Å
29V79.8Confident76.2Confident5 Ų579 Ų793%0.0339%0.389CS..EExtended strand (participates in β ladder)trans-103.6122-179.1-167.70000109.4V22 D24 V60 D62 V66 V67 V68V22-V29 HydrophobicContact CB-CG1 4.01Å; V22-V29 HydrophobicContact CG1-CG1 3.33Å; D24-V29 HydrophobicContact CB-CG2 3.23Å; V29-V60 HydrophobicContact CB-CG1 4.04Å; V29-V60 HydrophobicContact CG1-CG1 3.42Å; V29-V60 VanDerWaalsContact CG1-CG1 3.42Å; V29-D62 HydrophobicContact CG2-CB 3.97Å; V29-D62 WeakPolarHBondContact CG2-OD2 3.44Å; V29-V66 PolarHBondContact N-O 3.44Å; V29-V67 HydrophobicContact CB-CG1 4.43Å; V29-V67 WeakPolarHBondContact O-CA 3.25Å; V29-V68 PolarHBondContact O-N 3.45Å
30V74.3Confident76.5Confident70 Ų7082.2 Ų82.242%0.42439%0.393SS..EExtended strand (participates in β ladder)trans-123.7102.4-179.9-177.70000109.5V28 Q32 V68V28-V30 HydrophobicContact CG1-CG2 4.01Å; V30-Q32 HydrophobicContact CG1-CG 3.78Å; V30-Q32 VanDerWaalsContact CG1-NE2 3.35Å; V30-V68 WeakPolarHBondContact CA-O 3.25Å; V30-V68 HydrophobicContact CG2-CB 4.36Å
31G74.9Confident76.6Confident1 Ų181.8 Ų81.81%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-89.2121166.300000109.5V68 G69 Q70G31-V68 PolarHBondContact N-O 3.3Å; G31-G69 CarbonylContact O-C 3.03Å; G31-G69 WeakPolarHBondContact O-CA 3.41Å; G31-Q70 PolarHBondContact O-N 3.01Å
32Q77.5Confident76.6Confident89 Ų8981 Ų8142%0.41639%0.39SS..EExtended strand (participates in β ladder)trans-132.4126.8174.9-71.9-173.929.300111.8V30 Q70V30-Q32 HydrophobicContact CG1-CG 3.78Å; V30-Q32 VanDerWaalsContact CG1-NE2 3.35Å; Q32-Q70 VanDerWaalsContact CA-O 3.3Å; Q32-Q70 WeakPolarHBondContact CA-O 3.35Å; Q32-Q70 HydrophobicContact CG-CB 4.24Å
33E77.2Confident76.2Confident11 Ų1180 Ų805%0.05138%0.383CS..EExtended strand (participates in β ladder)trans-114.8135.4168.4-163.2-17915200110.5V20 V58 Q70 E71 K72V20-E33 HydrophobicContact CG2-CB 4.47Å; V20-E33 HydrophobicContact CG2-CG 4.5Å; E33-V58 HydrophobicContact CB-CG2 4.04Å; E33-Q70 PolarHBondContact N-O 3.5Å; E33-E71 HydrophobicContact CB-CG 4.05Å; E33-K72 PolarHBondContact O-N 2.88Å
34K80.1Confident75.9Confident140 Ų14076.8 Ų76.861%0.60937%0.372SS*.EExtended strand (participates in β ladder)trans-135.8108.3179.1-67.9-172.8-176.1116.20110.6K72K34-K72 WeakPolarHBondContact CA-O 3.38Å; K34-K72 HydrophobicContact CG-CB 4.26Å
35R77.1Confident75.4Confident22 Ų2277.5 Ų77.58%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-118.9137.3-174.9-148168.5-171.6-129.820.3113.2E16 E18 E54 E56 K72 R73 R74E16-R35 IonicContact OE2-NH2 3Å; E16-R35 PolarHBondContact OE2-NH2 2.96Å; E18-R35 IonicContact OE2-CZ 2.81Å; E18-R35 IonicContact OE2-NE 2.68Å; E18-R35 PolarHBondContact OE2-NE 3.2Å; E18-R35 IonicContact OE2-NH2 3.09Å; E18-R35 PolarHBondContact OE2-NH2 2.99Å; R35-E54 IonicContact CZ-OE2 3.64Å; R35-E54 IonicContact NH1-OE2 2.68Å; R35-E54 PolarHBondContact NH1-OE2 2.98Å; R35-E54 IonicContact NH2-OE2 3.78Å; R35-E56 VanDerWaalsContact CD-OE2 3.32Å; R35-E56 WeakPolarHBondContact CD-OE2 3.47Å; R35-E56 IonicContact CZ-OE1 3.37Å; R35-E56 IonicContact NE-OE1 3.88Å; R35-E56 IonicContact NH1-OE1 2.6Å; R35-E56 PolarHBondContact NH1-OE1 2.86Å; R35-E56 IonicContact NH1-OE2 3.85Å; R35-K72 PolarHBondContact N-O 2.9Å; R35-R73 WeakPolarHBondContact O-CA 3.32Å; R35-R74 PolarHBondContact O-N 2.83Å
36R76.3Confident74.9Confident151 Ų15175.2 Ų75.257%0.5738%0.375SS*.EExtended strand (participates in β ladder)trans-139.3111.5176.5-179175154-173.7-16112R38 R74R36-R38 VanDerWaalsContact NH2-CZ 3.32Å; R36-R74 WeakPolarHBondContact CA-O 3.4Å; R36-R74 HydrophobicContact CG-CB 4.47Å
37R77.1Confident74.7Confident49 Ų4968.6 Ų68.619%0.18534%0.344CS..EExtended strand (participates in β ladder)trans-113.2141.5179.1-63178.6169.7-129.2-26.8112.7E16 E54 R74 R75 R76E16-R37 IonicContact OE1-CZ 3.6Å; E16-R37 IonicContact OE1-NH1 2.84Å; E16-R37 PolarHBondContact OE1-NH1 3.44Å; E16-R37 IonicContact OE1-NH2 3.53Å; E16-R37 IonicContact OE2-CZ 3.09Å; E16-R37 IonicContact OE2-NH1 2.95Å; E16-R37 PolarHBondContact OE2-NH1 3.11Å; E16-R37 IonicContact OE2-NH2 2.56Å; E16-R37 PolarHBondContact OE2-NH2 3.07Å; R37-E54 IonicContact CZ-OE2 3.29Å; R37-E54 VanDerWaalsContact CZ-OE2 3.29Å; R37-E54 IonicContact NE-OE2 3.42Å; R37-E54 PolarHBondContact NE-OE2 2.97Å; R37-E54 IonicContact NH1-OE1 3.76Å; R37-E54 IonicContact NH1-OE2 2.75Å; R37-E54 PolarHBondContact NH1-OE2 2.82Å; R37-R74 PolarHBondContact N-O 3.49Å; R37-R75 HydrophobicContact CB-CG 4.01Å; R37-R75 CarbonylContact O-C 3.51Å; R37-R75 WeakPolarHBondContact O-CA 3.35Å; R37-R76 PolarHBondContact O-N 2.96Å
38R75.3Confident74.5Confident148 Ų14871.4 Ų71.456%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-132.6116.5170.2-64.2-174.8176.5-167.62.4107.7R36 R76R36-R38 VanDerWaalsContact NH2-CZ 3.32Å; R38-R76 CarbonylContact C-O 3.14Å; R38-R76 WeakPolarHBondContact CA-O 3.45Å; R38-R76 HydrophobicContact CG-CB 4.36Å
39R74.3Confident74.1Confident69 Ų6966.4 Ų66.426%0.2632%0.318SS..EExtended strand (participates in β ladder)trans-118.3134.8172.6-63.4-171.3-178.1-152.84.8109.1E16 R76 R77 R78E16-R39 IonicContact OE1-NH2 3.45Å; E16-R39 PolarHBondContact OE1-NH2 3.37Å; R39-R76 PolarHBondContact N-O 3.27Å; R39-R77 HydrophobicContact CB-CG 4.41Å; R39-R77 WeakPolarHBondContact O-CA 3.19Å; R39-R78 PolarHBondContact O-N 3.4Å
40R76.9Confident73.7Confident178 Ų17869 Ų6967%0.67233%0.333SS*.EExtended strand (participates in β ladder)trans-127.5115172.5-178.8-179.8-179.9-177.1-3.4106.6R78R40-R78 CarbonylContact C-O 3.59Å; R40-R78 WeakPolarHBondContact CA-O 3.46Å
41T76Confident73.3Confident28 Ų2866.3 Ų66.317%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-113.1130.3176-42.90000107.4L43 R78 T79 T80T41-L43 HydrophobicContact CG2-CD1 4.35Å; T41-L43 HydrophobicContact CG2-CD2 3.94Å; T41-L43 HydrophobicContact CG2-CG 3.86Å; T41-R78 PolarHBondContact N-O 3.31Å; T41-T79 WeakPolarHBondContact O-CA 3.13Å; T41-T80 PolarHBondContact O-N 3.38Å
42T75.8Confident72.7Confident86 Ų8666.6 Ų66.653%0.52832%0.319SS..EExtended strand (participates in β ladder)trans-134.2107.3172.1-58.40000105.5T80T42-T80 VanDerWaalsContact CA-O 3.31Å; T42-T80 WeakPolarHBondContact CA-O 3.32Å
43L70.6Confident72.1Confident26 Ų2663.5 Ų63.514%0.13631%0.312CS..  trans-104.8155.1179.4-58.4-177.1000109.8C9 T41 E48 T80 L81 G82C9-L43 HydrophobicContact CB-CD2 4.1Å; T41-L43 HydrophobicContact CG2-CD1 4.35Å; T41-L43 HydrophobicContact CG2-CD2 3.94Å; T41-L43 HydrophobicContact CG2-CG 3.86Å; L43-E48 WeakPolarHBondContact CD1-O 3.42Å; L43-T80 PolarHBondContact N-O 3.4Å; L43-T80 VanDerWaalsContact N-O 3.13Å; L43-L81 HydrophobicContact CB-CD2 3.68Å; L43-L81 HydrophobicContact CD1-CD2 3.65Å; L43-L81 HydrophobicContact CG-CD2 3.71Å; L43-G82 PolarHBondContact O-N 3.35Å
44G72.6Confident71.7Confident43 Ų4363 Ų6344%0.44331%0.309SS..  trans-69.4-158.8178.700000113.1L46 G82G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.43Å; G44-G82 VanDerWaalsContact O-CA 3.3Å; G44-G82 WeakPolarHBondContact O-CA 3.42Å; G44-G82 PolarHBondContact O-N 3.12Å
45P67.7Low71.1Confident87 Ų8761 Ų6157%0.56530%0.302SS*.SBendtrans-67.7-27.7-170.826.8-34.1000115.2P83 L84P45-P83 HydrophobicContact CB-CG 3.74Å; P45-L84 PolarHBondContact O-N 2.6Å
46L65.7Low70.8Confident96 Ų9660.2 Ų60.250%0.50330%0.299SS..EExtended strand (participates in β ladder)trans-12085.3175.1-56.3-179.5000107.3G44 L84G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.43Å; L46-L84 WeakPolarHBondContact CA-O 3.39Å; L46-L84 HydrophobicContact CD2-CB 3.76Å; L46-L84 HydrophobicContact CD2-CD1 3.52Å; L46-L84 HydrophobicContact CD2-CG 3.85Å
47G66.1Low70.7Confident2 Ų254.9 Ų54.92%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-125.1107.6-168.600000112.5L81 L84 G85 E86G47-L81 WeakPolarHBondContact O-CD1 3.49Å; G47-L84 PolarHBondContact N-O 2.86Å; G47-G85 VanDerWaalsContact O-CA 3.3Å; G47-G85 WeakPolarHBondContact O-CA 3.43Å; G47-E86 PolarHBondContact O-N 2.61Å
48E71.4Confident70.5Confident93 Ų9352.5 Ų52.544%0.43527%0.273SS..EExtended strand (participates in β ladder)trans-96.5125.4169.3-67.2-179.2-15700110.2L43 E86L43-E48 WeakPolarHBondContact CD1-O 3.42Å; E48-E86 WeakPolarHBondContact CA-O 3.36Å; E48-E86 HydrophobicContact CG-CB 4.35Å
49S70Confident70.8Confident1 Ų147.1 Ų47.11%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-123.1104.3175.9-175.80000110.3E86 S87 T88S49-E86 PolarHBondContact N-O 2.9Å; S49-S87 WeakPolarHBondContact O-CA 3.45Å; S49-T88 PolarHBondContact O-N 2.97Å; S49-T88 VanDerWaalsContact O-N 3.08Å; S49-T88 VanDerWaalsContact O-O 3.1Å
50T70.3Confident70.9Confident58 Ų5843.9 Ų43.936%0.35624%0.243SC..EExtended strand (participates in β ladder)trans-96.1139.8164.8-56.60000109.1T88T50-T88 WeakPolarHBondContact CA-O 3.37Å
51T66Low71.1Confident14 Ų1437.8 Ų37.89%0.08623%0.226CC..  trans-109.5161.3167.559.50000109.4R77 T88 T89 P90T51-R77 VanDerWaalsContact CB-NH1 3.25Å; T51-R77 VanDerWaalsContact CG2-NH1 3.34Å; T51-R77 PolarHBondContact OG1-NH1 2.93Å; T51-T88 PolarHBondContact N-O 3.2Å; T51-T89 HydrophobicContact CG2-CG2 4.33Å; T51-T89 WeakPolarHBondContact OG1-CA 3.48Å; T51-T89 WeakPolarHBondContact OG1-CB 3.37Å; T51-T89 WeakPolarHBondContact OG1-CG2 3.46Å; T51-P90 WeakPolarHBondContact O-CD 3.08Å; T51-P90 WeakPolarHBondContact O-CG 3.3Å; T51-P90 WeakPolarHBondContact OG1-CD 3.36Å
52P62.9Low71.3Confident7 Ų736.5 Ų36.55%0.04522%0.218CC..  trans-73.1157.4171.719.1-25.3000113.4T13 P14 P90T13-P52 VanDerWaalsContact O-CB 3.23Å; T13-P52 WeakPolarHBondContact O-CB 3.18Å; T13-P52 WeakPolarHBondContact O-CG 3.2Å; T13-P52 VanDerWaalsContact OG1-CD 3.25Å; T13-P52 WeakPolarHBondContact OG1-CD 3.26Å; T13-P52 WeakPolarHBondContact OG1-CG 3.24Å; P14-P52 WeakPolarHBondContact O-CB 3.22Å; P52-P90 WeakPolarHBondContact O-CG 3.43Å
53G64.8Low71.4Confident25 Ų2536.9 Ų36.926%0.25821%0.212SC..  trans-74.5154.3165.100000108.9G15 E16 G91G15-G53 WeakPolarHBondContact CA-O 3.42Å; E16-G53 PolarHBondContact N-O 3.34Å; G53-G91 VanDerWaalsContact CA-O 3.29Å; G53-G91 WeakPolarHBondContact CA-O 3.46Å
54E69.1Low71.6Confident1 Ų140.1 Ų40.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-140.4121.1-176.4-59-178.2-120.400107.6R35 R37 R75 R77 G91 E92 E93R35-E54 IonicContact CZ-OE2 3.64Å; R35-E54 IonicContact NH1-OE2 2.68Å; R35-E54 PolarHBondContact NH1-OE2 2.98Å; R35-E54 IonicContact NH2-OE2 3.78Å; R37-E54 IonicContact CZ-OE2 3.29Å; R37-E54 VanDerWaalsContact CZ-OE2 3.29Å; R37-E54 IonicContact NE-OE2 3.42Å; R37-E54 PolarHBondContact NE-OE2 2.97Å; R37-E54 IonicContact NH1-OE1 3.76Å; R37-E54 IonicContact NH1-OE2 2.75Å; R37-E54 PolarHBondContact NH1-OE2 2.82Å; E54-R75 VanDerWaalsContact CB-NH2 3.25Å; E54-R75 IonicContact OE1-CZ 3.69Å; E54-R75 IonicContact OE1-NE 3.74Å; E54-R75 IonicContact OE1-NH1 3.76Å; E54-R75 PolarHBondContact OE1-NH1 3Å; E54-R75 IonicContact OE1-NH2 3.25Å; E54-R75 IonicContact OE2-CZ 3.87Å; E54-R75 IonicContact OE2-NE 2.59Å; E54-R75 PolarHBondContact OE2-NE 2.88Å; E54-R75 IonicContact OE2-NH1 3.31Å; E54-R75 PolarHBondContact OE2-NH1 2.88Å; E54-R75 IonicContact OE2-NH2 3.74Å; E54-R75 PolarHBondContact OE2-NH2 2.89Å; E54-R77 IonicContact OE1-NH2 2.89Å; E54-R77 PolarHBondContact OE1-NH2 2.91Å; E54-G91 PolarHBondContact N-O 3.3Å; E54-E92 WeakPolarHBondContact O-CA 3.44Å; E54-E93 PolarHBondContact O-N 3Å
55E68Low72Confident98 Ų9839.2 Ų39.246%0.45822%0.217SC..EExtended strand (participates in β ladder)trans-113125176.5-65.1178-161.200107.9E16 E17 E18 E93E16-E55 PolarHBondContact O-N 2.84Å; E17-E55 WeakPolarHBondContact CA-O 2.89Å; E17-E55 HydrophobicContact CG-CB 4.29Å; E18-E55 PolarHBondContact N-O 2.85Å; E18-E55 VanDerWaalsContact N-O 3.12Å; E55-E93 WeakPolarHBondContact CA-O 3.4Å; E55-E93 HydrophobicContact CG-CB 4.32Å
56E70.1Confident72.7Confident5 Ų537.6 Ų37.62%0.02321%0.206CC..EExtended strand (participates in β ladder)trans-126.5125.9-177.3-72169.4-135.300108.7E18 R35 R73 R75 E93 E94 L95E18-E56 HydrophobicContact CB-CG 4.46Å; R35-E56 VanDerWaalsContact CD-OE2 3.32Å; R35-E56 WeakPolarHBondContact CD-OE2 3.47Å; R35-E56 IonicContact CZ-OE1 3.37Å; R35-E56 IonicContact NE-OE1 3.88Å; R35-E56 IonicContact NH1-OE1 2.6Å; R35-E56 PolarHBondContact NH1-OE1 2.86Å; R35-E56 IonicContact NH1-OE2 3.85Å; E56-R73 IonicContact OE1-NE 3.34Å; E56-R73 PolarHBondContact OE1-NE 2.85Å; E56-R73 IonicContact OE2-NE 3.05Å; E56-R75 IonicContact OE1-CZ 2.76Å; E56-R75 IonicContact OE1-NH2 2.58Å; E56-R75 PolarHBondContact OE1-NH2 2.8Å; E56-E93 PolarHBondContact N-O 2.85Å; E56-E94 HydrophobicContact CB-CG 4.42Å; E56-E94 WeakPolarHBondContact O-CA 3.35Å; E56-L95 PolarHBondContact O-N 2.82Å
57L73.4Confident73.4Confident38 Ų3833 Ų3320%0.19918%0.182CC..EExtended strand (participates in β ladder)trans-127.9121.7-178.9-175.866.5000111E18 L19 V20 N59 L95E18-L57 PolarHBondContact O-N 2.93Å; L19-L57 WeakPolarHBondContact CA-O 3.23Å; L19-L57 HydrophobicContact CD2-CB 3.46Å; L19-L57 VanDerWaalsContact CD2-CB 3.46Å; L19-L57 HydrophobicContact CD2-CD2 3.71Å; L19-L57 HydrophobicContact CD2-CG 4.16Å; V20-L57 PolarHBondContact N-O 3.47Å; L57-N59 WeakPolarHBondContact CD1-OD1 3.17Å; L57-N59 WeakPolarHBondContact CD2-ND2 3.4Å; L57-N59 WeakPolarHBondContact CG-ND2 3.39Å; L57-L95 CarbonylContact C-O 3.57Å; L57-L95 WeakPolarHBondContact CA-O 3.41Å; L57-L95 HydrophobicContact CD1-CB 3.47Å; L57-L95 VanDerWaalsContact CD1-CB 3.47Å; L57-L95 HydrophobicContact CD1-CD2 3.37Å; L57-L95 HydrophobicContact CD1-CG 3.31Å
58V74.8Confident74Confident0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-113105.1169.7-177.40000108.6V20 E33 V60 E71 L95 V96 N97V20-V58 HydrophobicContact CB-CG1 4.48Å; V20-V58 HydrophobicContact CB-CG2 4.38Å; E33-V58 HydrophobicContact CB-CG2 4.04Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-E71 HydrophobicContact CG2-CB 4.4Å; V58-E71 HydrophobicContact CG2-CG 4.16Å; V58-L95 PolarHBondContact N-O 2.97Å; V58-V96 HydrophobicContact CB-CG2 4.45Å; V58-V96 WeakPolarHBondContact O-CA 3.22Å; V58-N97 PolarHBondContact O-N 2.85Å
59N80.1Confident74.4Confident35 Ų3529.7 Ų29.719%0.18717%0.167CC..EExtended strand (participates in β ladder)trans-105.2121.1171.2-60.3-40.1000110.2V20 N21 V22 L57 N97V20-N59 PolarHBondContact O-N 3.22Å; N21-N59 WeakPolarHBondContact CA-O 3.16Å; N21-N59 WeakPolarHBondContact OD1-CB 3.41Å; N21-N59 PolarHBondContact OD1-ND2 3.11Å; N21-N59 VanDerWaalsContact OD1-ND2 3.12Å; V22-N59 PolarHBondContact N-O 3.34Å; L57-N59 WeakPolarHBondContact CD1-OD1 3.17Å; L57-N59 WeakPolarHBondContact CD2-ND2 3.4Å; L57-N59 WeakPolarHBondContact CG-ND2 3.39Å; N59-N97 VanDerWaalsContact CA-O 3.3Å; N59-N97 WeakPolarHBondContact CA-O 3.14Å; N59-N97 VanDerWaalsContact OD1-CB 3.26Å; N59-N97 WeakPolarHBondContact OD1-CB 3.07Å
60V77.2Confident74.9Confident0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-121.7121.4172.3-165.60000108.2V22 V29 V58 V67 N97 V98 T99V22-V60 HydrophobicContact CB-CG1 4.31Å; V22-V60 WeakPolarHBondContact O-CA 3.31Å; V29-V60 HydrophobicContact CB-CG1 4.04Å; V29-V60 HydrophobicContact CG1-CG1 3.42Å; V29-V60 VanDerWaalsContact CG1-CG1 3.42Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V60-V67 HydrophobicContact CB-CG1 3.8Å; V60-V67 HydrophobicContact CG1-CG1 3.26Å; V60-N97 PolarHBondContact N-O 2.86Å; V60-V98 HydrophobicContact CB-CG1 4.24Å; V60-V98 WeakPolarHBondContact O-CA 3.34Å; V60-T99 PolarHBondContact O-N 2.57Å
61T81.4Confident75.4Confident51 Ų5128.5 Ų28.531%0.31316%0.157SC..EExtended strand (participates in β ladder)trans-125.5131.1178.7-56.30000110.1V22 T23 D24 T99V22-T61 PolarHBondContact O-N 3.35Å; T23-T61 VanDerWaalsContact CA-O 3.29Å; T23-T61 WeakPolarHBondContact CA-O 3.47Å; D24-T61 PolarHBondContact N-O 3.48Å; D24-T61 VanDerWaalsContact N-O 3.15Å; T61-T99 VanDerWaalsContact CA-O 3.28Å; T61-T99 WeakPolarHBondContact CA-O 3.41Å
62D79Confident76.1Confident1 Ų130.9 Ų30.91%0.00517%0.167CC..  trans-128.2167.7166.2-160.7-5.2000109.2Q26 V29 Q64 V67 T99Q26-D62 PolarHBondContact N-OD1 3.22Å; V29-D62 HydrophobicContact CG2-CB 3.97Å; V29-D62 WeakPolarHBondContact CG2-OD2 3.44Å; D62-Q64 PolarHBondContact OD1-N 2.95Å; D62-V67 HydrophobicContact CB-CG2 3.27Å; D62-T99 PolarHBondContact N-O 3.03Å
63K78.8Confident77Confident93 Ų9330.9 Ų30.940%0.40417%0.166SC..SBendtrans-98.8-34.6169.4-59.4179.7-179.7-179.40111.5K25 K101K25-K63 HydrophobicContact CB-CD 4.4Å; K25-K63 HydrophobicContact CG-CD 4.35Å; K25-K63 WeakPolarHBondContact O-CB 3.44Å; K63-K101 HydrophobicContact CB-CD 4.31Å; K63-K101 HydrophobicContact CG-CD 4.4Å; K63-K101 WeakPolarHBondContact O-CB 3.31Å
64Q74.3Confident77.5Confident94 Ų9433 Ų3344%0.43917%0.166SC..SBendtrans-155.4116.1-175.7-66.3-176.2-32.500111.2G27 D62 D100 Q102G27-Q64 PolarHBondContact N-O 3.32Å; G27-Q64 VanDerWaalsContact N-O 3.11Å; D62-Q64 PolarHBondContact OD1-N 2.95Å; Q64-D100 PolarHBondContact N-OD1 2.97Å; Q64-Q102 WeakPolarHBondContact CA-O 3.43Å
65G81.6Confident78Confident24 Ų2433 Ų3325%0.24717%0.166CC..EExtended strand (participates in β ladder)trans148.1-128.3167.200000115.3G27 D100 Q102 G103 V104G27-G65 VanDerWaalsContact O-CA 3.31Å; G27-G65 WeakPolarHBondContact O-CA 3.34Å; G65-D100 PolarHBondContact N-OD2 3.2Å; G65-Q102 PolarHBondContact N-O 2.92Å; G65-G103 CarbonylContact O-C 3.6Å; G65-G103 WeakPolarHBondContact O-CA 3.34Å; G65-V104 PolarHBondContact O-N 2.71Å
66V81.6Confident78.3Confident54 Ų5431.9 Ų31.933%0.32716%0.157SC..EExtended strand (participates in β ladder)trans-122.6114.4179.2-178.50000108.9G27 V28 V29 V68 V104G27-V66 PolarHBondContact O-N 2.89Å; V28-V66 CarbonylContact C-O 3.57Å; V28-V66 WeakPolarHBondContact CA-O 3.45Å; V28-V66 HydrophobicContact CG1-CB 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.32Å; V29-V66 PolarHBondContact N-O 3.44Å; V66-V68 HydrophobicContact CG1-CG2 4.05Å; V66-V104 CarbonylContact C-O 3.58Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-V104 HydrophobicContact CG1-CB 4.36Å; V66-V104 HydrophobicContact CG2-CB 4.31Å
67V81Confident78.7Confident0 Ų032.5 Ų32.50%016%0.159CC..EExtended strand (participates in β ladder)trans-110.7121.2-177.9-164.90000109.6V29 V60 D62 V98 D100 V104 V105 V106V29-V67 HydrophobicContact CB-CG1 4.43Å; V29-V67 WeakPolarHBondContact O-CA 3.25Å; V60-V67 HydrophobicContact CB-CG1 3.8Å; V60-V67 HydrophobicContact CG1-CG1 3.26Å; D62-V67 HydrophobicContact CB-CG2 3.27Å; V67-V98 HydrophobicContact CB-CG1 3.92Å; V67-V98 HydrophobicContact CG1-CG1 3.34Å; V67-D100 HydrophobicContact CG2-CB 3.81Å; V67-V104 PolarHBondContact N-O 3.3Å; V67-V105 HydrophobicContact CB-CG1 4.34Å; V67-V105 CarbonylContact O-C 3.6Å; V67-V105 WeakPolarHBondContact O-CA 3.26Å; V67-V106 PolarHBondContact O-N 3.11Å
68V78.9Confident79Confident24 Ų2435.4 Ų35.415%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-125.2105.8179.5-175.10000109.5V29 V30 G31 V66 Q70 V106V29-V68 PolarHBondContact O-N 3.45Å; V30-V68 WeakPolarHBondContact CA-O 3.25Å; V30-V68 HydrophobicContact CG2-CB 4.36Å; G31-V68 PolarHBondContact N-O 3.3Å; V66-V68 HydrophobicContact CG1-CG2 4.05Å; V68-Q70 HydrophobicContact CG1-CG 3.79Å; V68-V106 CarbonylContact C-O 3.56Å; V68-V106 WeakPolarHBondContact CA-O 3.1Å; V68-V106 HydrophobicContact CG1-CB 4.42Å; V68-V106 HydrophobicContact CG2-CB 4.32Å
69G78.8Confident79.1Confident0 Ų035.8 Ų35.80%017%0.17CC..EExtended strand (participates in β ladder)trans-95.1122.3167.100000109.9G31 V106 G107 Q108G31-G69 CarbonylContact O-C 3.03Å; G31-G69 WeakPolarHBondContact O-CA 3.41Å; G69-V106 PolarHBondContact N-O 3.46Å; G69-G107 CarbonylContact O-C 2.98Å; G69-G107 WeakPolarHBondContact O-CA 3.49Å; G69-Q108 PolarHBondContact O-N 3.12Å
70Q80.9Confident79.1Confident33 Ų3336.1 Ų36.115%0.15417%0.173CC..EExtended strand (participates in β ladder)trans-132.3131.2171.5-51.5-174.83.400112.8G31 Q32 E33 V68 Q108G31-Q70 PolarHBondContact O-N 3.01Å; Q32-Q70 VanDerWaalsContact CA-O 3.3Å; Q32-Q70 WeakPolarHBondContact CA-O 3.35Å; Q32-Q70 HydrophobicContact CG-CB 4.24Å; E33-Q70 PolarHBondContact N-O 3.5Å; V68-Q70 HydrophobicContact CG1-CG 3.79Å; Q70-Q108 CarbonylContact C-O 3.56Å; Q70-Q108 VanDerWaalsContact CA-O 3.24Å; Q70-Q108 WeakPolarHBondContact CA-O 3.43Å; Q70-Q108 HydrophobicContact CG-CB 4.21Å
71E80.7Confident78.9Confident1 Ų136.4 Ų36.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-115.7133.8170.2-153.7-14311300110E33 V58 V96 Q108 E109 K110E33-E71 HydrophobicContact CB-CG 4.05Å; V58-E71 HydrophobicContact CG2-CB 4.4Å; V58-E71 HydrophobicContact CG2-CG 4.16Å; E71-V96 HydrophobicContact CB-CG2 3.8Å; E71-Q108 PolarHBondContact N-O 2.84Å; E71-E109 HydrophobicContact CB-CG 4.05Å; E71-K110 PolarHBondContact O-N 3.01Å
72K82Confident78.5Confident65 Ų6534.7 Ų34.728%0.28317%0.168SC..EExtended strand (participates in β ladder)trans-134113.2177.9-60.4-168.4177.893.20111.1E33 K34 R35 K110E33-K72 PolarHBondContact O-N 2.88Å; K34-K72 WeakPolarHBondContact CA-O 3.38Å; K34-K72 HydrophobicContact CG-CB 4.26Å; R35-K72 PolarHBondContact N-O 2.9Å; K72-K110 WeakPolarHBondContact CA-O 3.44Å; K72-K110 HydrophobicContact CG-CB 4.22Å
73R79.8Confident78.1Confident6 Ų637.7 Ų37.72%0.02319%0.187CC..EExtended strand (participates in β ladder)trans-122.1139.5-175-171.5174.9178.1-112.5-87.8114.6R35 E56 R75 E92 E94 K110 R111 R112R35-R73 WeakPolarHBondContact O-CA 3.32Å; E56-R73 IonicContact OE1-NE 3.34Å; E56-R73 PolarHBondContact OE1-NE 2.85Å; E56-R73 IonicContact OE2-NE 3.05Å; R73-R75 HydrophobicContact CG-CG 4.24Å; R73-R75 VanDerWaalsContact NH1-NH2 3.15Å; R73-E92 IonicContact CZ-OE2 3.32Å; R73-E92 IonicContact NH1-OE2 3.95Å; R73-E92 PolarHBondContact NH1-OE2 2.98Å; R73-E92 IonicContact NH2-OE2 2.58Å; R73-E92 PolarHBondContact NH2-OE2 2.86Å; R73-E94 WeakPolarHBondContact CD-OE1 3.39Å; R73-E94 IonicContact CZ-OE1 2.64Å; R73-E94 IonicContact CZ-OE2 3.3Å; R73-E94 IonicContact NE-OE1 3.99Å; R73-E94 PolarHBondContact NE-OE1 2.83Å; R73-E94 IonicContact NE-OE2 2.74Å; R73-E94 IonicContact NH1-OE1 2.69Å; R73-E94 PolarHBondContact NH1-OE1 2.88Å; R73-E94 IonicContact NH1-OE2 3.85Å; R73-E94 PolarHBondContact NH1-OE2 2.78Å; R73-K110 PolarHBondContact N-O 2.9Å; R73-R111 HydrophobicContact CB-CG 4.39Å; R73-R112 PolarHBondContact O-N 3.27Å
74R76.7Confident77.6Confident69 Ų6937.3 Ų37.326%0.2619%0.189SC..EExtended strand (participates in β ladder)trans-139.7102.8174.9-177.9175.2158.3-178.4-10.5112R35 R36 R37 R76 R112R35-R74 PolarHBondContact O-N 2.83Å; R36-R74 WeakPolarHBondContact CA-O 3.4Å; R36-R74 HydrophobicContact CG-CB 4.47Å; R37-R74 PolarHBondContact N-O 3.49Å; R74-R76 VanDerWaalsContact NH2-CZ 3.32Å; R74-R112 WeakPolarHBondContact CA-O 3.4Å; R74-R112 HydrophobicContact CG-CB 4.49Å
75R79.1Confident77.4Confident3 Ų333 Ų331%0.01117%0.17CC..EExtended strand (participates in β ladder)trans-103.7137.4173.1-57.5-152.8-165.6140.86.9112.6R37 E54 E56 R73 E92 R112 R113 R114R37-R75 HydrophobicContact CB-CG 4.01Å; R37-R75 CarbonylContact O-C 3.51Å; R37-R75 WeakPolarHBondContact O-CA 3.35Å; E54-R75 VanDerWaalsContact CB-NH2 3.25Å; E54-R75 IonicContact OE1-CZ 3.69Å; E54-R75 IonicContact OE1-NE 3.74Å; E54-R75 IonicContact OE1-NH1 3.76Å; E54-R75 PolarHBondContact OE1-NH1 3Å; E54-R75 IonicContact OE1-NH2 3.25Å; E54-R75 IonicContact OE2-CZ 3.87Å; E54-R75 IonicContact OE2-NE 2.59Å; E54-R75 PolarHBondContact OE2-NE 2.88Å; E54-R75 IonicContact OE2-NH1 3.31Å; E54-R75 PolarHBondContact OE2-NH1 2.88Å; E54-R75 IonicContact OE2-NH2 3.74Å; E54-R75 PolarHBondContact OE2-NH2 2.89Å; E56-R75 IonicContact OE1-CZ 2.76Å; E56-R75 IonicContact OE1-NH2 2.58Å; E56-R75 PolarHBondContact OE1-NH2 2.8Å; R73-R75 HydrophobicContact CG-CG 4.24Å; R73-R75 VanDerWaalsContact NH1-NH2 3.15Å; R75-E92 IonicContact CZ-OE2 3.06Å; R75-E92 IonicContact NH1-OE1 2.82Å; R75-E92 PolarHBondContact NH1-OE1 3.32Å; R75-E92 IonicContact NH1-OE2 3.93Å; R75-E92 PolarHBondContact NH1-OE2 2.89Å; R75-R112 PolarHBondContact N-O 2.9Å; R75-R112 VanDerWaalsContact N-O 3.14Å; R75-R113 WeakPolarHBondContact O-CA 3.4Å; R75-R114 PolarHBondContact O-N 2.95Å
76R74.4Confident77.1Confident73 Ų7336 Ų3628%0.27518%0.177SC..EExtended strand (participates in β ladder)trans-126.4119.5169.2-63.3-174175.3-167.6-1.2108.7R37 R38 R39 R74 R114R37-R76 PolarHBondContact O-N 2.96Å; R38-R76 CarbonylContact C-O 3.14Å; R38-R76 WeakPolarHBondContact CA-O 3.45Å; R38-R76 HydrophobicContact CG-CB 4.36Å; R39-R76 PolarHBondContact N-O 3.27Å; R74-R76 VanDerWaalsContact NH2-CZ 3.32Å; R76-R114 CarbonylContact C-O 3.56Å; R76-R114 WeakPolarHBondContact CA-O 3.34Å; R76-R114 HydrophobicContact CG-CB 4.28Å
77R78.4Confident76.7Confident18 Ų1833.4 Ų33.47%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-119.8129.9176.5-64.1-173.1176.5-163.50.6109.5R39 T51 E54 R114 R115 R116R39-R77 HydrophobicContact CB-CG 4.41Å; R39-R77 WeakPolarHBondContact O-CA 3.19Å; T51-R77 VanDerWaalsContact CB-NH1 3.25Å; T51-R77 VanDerWaalsContact CG2-NH1 3.34Å; T51-R77 PolarHBondContact OG1-NH1 2.93Å; E54-R77 IonicContact OE1-NH2 2.89Å; E54-R77 PolarHBondContact OE1-NH2 2.91Å; R77-R114 PolarHBondContact N-O 2.98Å; R77-R115 WeakPolarHBondContact O-CA 3.48Å; R77-R116 PolarHBondContact O-N 3.18Å
78R78.8Confident76.3Confident99 Ų9935.9 Ų35.937%0.37418%0.177SC..EExtended strand (participates in β ladder)trans-124.7115.3171-177.8179.5-179.2-176.7-1.6107.7R39 R40 T41 R116R39-R78 PolarHBondContact O-N 3.4Å; R40-R78 CarbonylContact C-O 3.59Å; R40-R78 WeakPolarHBondContact CA-O 3.46Å; T41-R78 PolarHBondContact N-O 3.31Å; R78-R116 CarbonylContact C-O 3.54Å; R78-R116 WeakPolarHBondContact CA-O 3.3Å
79T78.1Confident75.8Confident8 Ų834.9 Ų34.95%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-116.9125.4177.2-48.50000107.5T41 L81 R116 T117 T118T41-T79 WeakPolarHBondContact O-CA 3.13Å; T79-L81 HydrophobicContact CG2-CD1 4.42Å; T79-L81 HydrophobicContact CG2-CD2 3.83Å; T79-L81 HydrophobicContact CG2-CG 3.89Å; T79-R116 PolarHBondContact N-O 3.37Å; T79-T117 WeakPolarHBondContact O-CA 3.31Å; T79-T118 PolarHBondContact O-N 3.11Å
80T78.8Confident75.2Confident42 Ų4236.7 Ų36.726%0.25818%0.183SC..EExtended strand (participates in β ladder)trans-122.4117.2167.2-64.60000106.4T41 T42 L43 T118T41-T80 PolarHBondContact O-N 3.38Å; T42-T80 VanDerWaalsContact CA-O 3.31Å; T42-T80 WeakPolarHBondContact CA-O 3.32Å; L43-T80 PolarHBondContact N-O 3.4Å; L43-T80 VanDerWaalsContact N-O 3.13Å; T80-T118 VanDerWaalsContact CA-O 3.31Å; T80-T118 WeakPolarHBondContact CA-O 3.34Å
81L73.1Confident74.5Confident6 Ų636.7 Ų36.73%0.03119%0.192CC..  trans-109.1150.8174.1-54.6-175.9000109.3L43 G47 T79 G85 E86 T118 L119 G120L43-L81 HydrophobicContact CB-CD2 3.68Å; L43-L81 HydrophobicContact CD1-CD2 3.65Å; L43-L81 HydrophobicContact CG-CD2 3.71Å; G47-L81 WeakPolarHBondContact O-CD1 3.49Å; T79-L81 HydrophobicContact CG2-CD1 4.42Å; T79-L81 HydrophobicContact CG2-CD2 3.83Å; T79-L81 HydrophobicContact CG2-CG 3.89Å; L81-G85 VanDerWaalsContact CD1-C 3.47Å; L81-E86 WeakPolarHBondContact CD1-O 3.42Å; L81-T118 PolarHBondContact N-O 2.86Å; L81-L119 HydrophobicContact CB-CD2 3.72Å; L81-L119 HydrophobicContact CD1-CD2 3.57Å; L81-L119 HydrophobicContact CG-CD2 3.62Å; L81-G120 PolarHBondContact O-N 2.79Å
82G73.2Confident74.2Confident16 Ų1636.8 Ų36.817%0.16519%0.192CC..  trans-70.4-162.1175.300000113L43 G44 L84 G120L43-G82 PolarHBondContact O-N 3.35Å; G44-G82 VanDerWaalsContact O-CA 3.3Å; G44-G82 WeakPolarHBondContact O-CA 3.42Å; G44-G82 PolarHBondContact O-N 3.12Å; G82-L84 PolarHBondContact O-N 2.89Å; G82-G120 WeakPolarHBondContact O-CA 3.28Å; G82-G120 PolarHBondContact O-N 2.82Å
83P70.4Confident73.9Confident64 Ų6438.2 Ų38.242%0.41620%0.2SC..SBendtrans-56-43.1-172.912.5-32.1000117.4P45 P121 L122P45-P83 HydrophobicContact CB-CG 3.74Å; P83-P121 HydrophobicContact CB-CG 4.46Å; P83-P121 WeakPolarHBondContact O-CD 3.31Å; P83-L122 CarbonylContact O-C 3.49Å; P83-L122 PolarHBondContact O-N 2.94Å
84L70.2Confident73.7Confident84 Ų8438.1 Ų38.144%0.4420%0.2SC..EExtended strand (participates in β ladder)trans-110.7104.5171.9-51-170.4000107.2P45 L46 G47 G82 L122P45-L84 PolarHBondContact O-N 2.6Å; L46-L84 WeakPolarHBondContact CA-O 3.39Å; L46-L84 HydrophobicContact CD2-CB 3.76Å; L46-L84 HydrophobicContact CD2-CD1 3.52Å; L46-L84 HydrophobicContact CD2-CG 3.85Å; G47-L84 PolarHBondContact N-O 2.86Å; G82-L84 PolarHBondContact O-N 2.89Å; L84-L122 VanDerWaalsContact CA-O 3.32Å; L84-L122 WeakPolarHBondContact CA-O 3.43Å; L84-L122 HydrophobicContact CD2-CB 3.44Å; L84-L122 VanDerWaalsContact CD2-CB 3.44Å; L84-L122 HydrophobicContact CD2-CD1 3.32Å; L84-L122 HydrophobicContact CD2-CG 3.99Å
85G69.4Low73.8Confident3 Ų337.5 Ų37.53%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-147.7116.9-172.200000113.6G47 L81 L122 G123 E124G47-G85 VanDerWaalsContact O-CA 3.3Å; G47-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 VanDerWaalsContact CD1-C 3.47Å; G85-L122 PolarHBondContact N-O 2.94Å; G85-L122 VanDerWaalsContact N-O 3.15Å; G85-G123 WeakPolarHBondContact O-CA 3.35Å; G85-E124 PolarHBondContact O-N 2.88Å
86E74.2Confident73.9Confident87 Ų8737.3 Ų37.341%0.40720%0.2SC..EExtended strand (participates in β ladder)trans-101.5131.2173.7-60.7-176.5-165.400110.3G47 E48 S49 L81 E124G47-E86 PolarHBondContact O-N 2.61Å; E48-E86 WeakPolarHBondContact CA-O 3.36Å; E48-E86 HydrophobicContact CG-CB 4.35Å; S49-E86 PolarHBondContact N-O 2.9Å; L81-E86 WeakPolarHBondContact CD1-O 3.42Å; E86-E124 WeakPolarHBondContact CA-O 3.41Å; E86-E124 HydrophobicContact CG-CB 4.33Å
87S74.8Confident74.3Confident1 Ų135.8 Ų35.81%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-125.6104.1173.3-176.90000110.7S49 R115 E124 S125 T126S49-S87 WeakPolarHBondContact O-CA 3.45Å; S87-R115 PolarHBondContact OG-NH2 2.99Å; S87-E124 PolarHBondContact N-O 2.86Å; S87-S125 WeakPolarHBondContact O-CA 3.39Å; S87-S125 PolarHBondContact O-OG 2.83Å; S87-S125 VanDerWaalsContact O-OG 3.12Å; S87-T126 PolarHBondContact O-N 2.88Å; S87-T126 VanDerWaalsContact O-N 3.16Å
88T72.7Confident74.4Confident52 Ų5235 Ų3532%0.31920%0.195SC..EExtended strand (participates in β ladder)trans-98.6129.9171.3-58.60000109.6S49 T50 T51 T126S49-T88 PolarHBondContact O-N 2.97Å; S49-T88 VanDerWaalsContact O-N 3.08Å; S49-T88 VanDerWaalsContact O-O 3.1Å; T50-T88 WeakPolarHBondContact CA-O 3.37Å; T51-T88 PolarHBondContact N-O 3.2Å; T88-T126 WeakPolarHBondContact CA-O 3.42Å
89T67.9Low74.7Confident3 Ų332.2 Ų32.22%0.01819%0.189CC..  trans-114.7138.3162.656.80000106.8T51 T126 T127 P128T51-T89 HydrophobicContact CG2-CG2 4.33Å; T51-T89 WeakPolarHBondContact OG1-CA 3.48Å; T51-T89 WeakPolarHBondContact OG1-CB 3.37Å; T51-T89 WeakPolarHBondContact OG1-CG2 3.46Å; T89-T126 PolarHBondContact N-O 2.85Å; T89-T126 VanDerWaalsContact N-O 3.09Å; T89-T127 CarbonylContact O-C 3.6Å; T89-T127 WeakPolarHBondContact OG1-CA 3.35Å; T89-T127 WeakPolarHBondContact OG1-CB 3.34Å; T89-T127 WeakPolarHBondContact OG1-CG2 3.35Å; T89-P128 WeakPolarHBondContact O-CB 3.46Å; T89-P128 WeakPolarHBondContact O-CD 3.34Å; T89-P128 WeakPolarHBondContact O-CG 3.49Å; T89-P128 WeakPolarHBondContact OG1-CD 3.45Å
90P65.6Low74.9Confident38 Ų3831.9 Ų31.925%0.24719%0.187CC..  trans-97.8167.217739.9-39.6000112.4T51 P52 P128T51-P90 WeakPolarHBondContact O-CD 3.08Å; T51-P90 WeakPolarHBondContact O-CG 3.3Å; T51-P90 WeakPolarHBondContact OG1-CD 3.36Å; P52-P90 WeakPolarHBondContact O-CG 3.43Å; P90-P128 VanDerWaalsContact CA-CG 3.41Å; P90-P128 WeakPolarHBondContact O-CG 3.44Å
91G67.1Low75.1Confident33 Ų3334.5 Ų34.534%0.3420%0.195SC..  trans-49.9151.7-165.200000113.5G53 E54 G129G53-G91 VanDerWaalsContact CA-O 3.29Å; G53-G91 WeakPolarHBondContact CA-O 3.46Å; E54-G91 PolarHBondContact N-O 3.3Å; G91-G129 WeakPolarHBondContact CA-O 3.47Å
92E74.5Confident75.4Confident2 Ų238.6 Ų38.61%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-127.7120.8169.3-56.3177.8-162.700106.6E54 R73 R75 R111 R113 G129 E130 E131E54-E92 WeakPolarHBondContact O-CA 3.44Å; R73-E92 IonicContact CZ-OE2 3.32Å; R73-E92 IonicContact NH1-OE2 3.95Å; R73-E92 PolarHBondContact NH1-OE2 2.98Å; R73-E92 IonicContact NH2-OE2 2.58Å; R73-E92 PolarHBondContact NH2-OE2 2.86Å; R75-E92 IonicContact CZ-OE2 3.06Å; R75-E92 IonicContact NH1-OE1 2.82Å; R75-E92 PolarHBondContact NH1-OE1 3.32Å; R75-E92 IonicContact NH1-OE2 3.93Å; R75-E92 PolarHBondContact NH1-OE2 2.89Å; E92-R111 IonicContact OE2-CZ 3.99Å; E92-R111 IonicContact OE2-NH2 2.76Å; E92-R111 PolarHBondContact OE2-NH2 2.98Å; E92-R113 IonicContact OE1-CZ 3.7Å; E92-R113 IonicContact OE1-NE 3.3Å; E92-R113 PolarHBondContact OE1-NE 3.14Å; E92-R113 IonicContact OE1-NH2 3.65Å; E92-R113 PolarHBondContact OE1-NH2 2.89Å; E92-G129 PolarHBondContact N-O 2.78Å; E92-E130 HydrophobicContact CB-CG 4.27Å; E92-E130 VanDerWaalsContact O-CA 3.3Å; E92-E130 WeakPolarHBondContact O-CA 3.34Å; E92-E131 PolarHBondContact O-N 2.85Å
93E74Confident75.9Confident95 Ų9538.7 Ų38.744%0.44422%0.215SC..EExtended strand (participates in β ladder)trans-115.3130.8176.2-61.9-178.7-166.200108.5E54 E55 E56 E131E54-E93 PolarHBondContact O-N 3Å; E55-E93 WeakPolarHBondContact CA-O 3.4Å; E55-E93 HydrophobicContact CG-CB 4.32Å; E56-E93 PolarHBondContact N-O 2.85Å; E93-E131 WeakPolarHBondContact CA-O 3.43Å; E93-E131 HydrophobicContact CG-CB 4.3Å
94E77.3Confident76.6Confident5 Ų538.2 Ų38.22%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-132.9126.9-179-56.3-167.6132.200109.4E56 R73 R111 E131 E132 L133E56-E94 HydrophobicContact CB-CG 4.42Å; E56-E94 WeakPolarHBondContact O-CA 3.35Å; R73-E94 WeakPolarHBondContact CD-OE1 3.39Å; R73-E94 IonicContact CZ-OE1 2.64Å; R73-E94 IonicContact CZ-OE2 3.3Å; R73-E94 IonicContact NE-OE1 3.99Å; R73-E94 PolarHBondContact NE-OE1 2.83Å; R73-E94 IonicContact NE-OE2 2.74Å; R73-E94 IonicContact NH1-OE1 2.69Å; R73-E94 PolarHBondContact NH1-OE1 2.88Å; R73-E94 IonicContact NH1-OE2 3.85Å; R73-E94 PolarHBondContact NH1-OE2 2.78Å; E94-R111 WeakPolarHBondContact OE2-CD 3.35Å; E94-R111 IonicContact OE2-CZ 3.12Å; E94-R111 IonicContact OE2-NE 3.16Å; E94-R111 PolarHBondContact OE2-NE 2.79Å; E94-E131 PolarHBondContact N-O 2.88Å; E94-E132 HydrophobicContact CB-CG 4.42Å; E94-L133 PolarHBondContact O-N 2.91Å
95L78.7Confident77.2Confident55 Ų5534.2 Ų34.229%0.28819%0.189SC..EExtended strand (participates in β ladder)trans-129.2120.6-178.3174.656.4000110.6E56 L57 V58 L133E56-L95 PolarHBondContact O-N 2.82Å; L57-L95 CarbonylContact C-O 3.57Å; L57-L95 WeakPolarHBondContact CA-O 3.41Å; L57-L95 HydrophobicContact CD1-CB 3.47Å; L57-L95 VanDerWaalsContact CD1-CB 3.47Å; L57-L95 HydrophobicContact CD1-CD2 3.37Å; L57-L95 HydrophobicContact CD1-CG 3.31Å; V58-L95 PolarHBondContact N-O 2.97Å; L95-L133 CarbonylContact C-O 3.01Å; L95-L133 WeakPolarHBondContact CA-O 3.35Å; L95-L133 HydrophobicContact CD1-CB 3.75Å; L95-L133 HydrophobicContact CD1-CD2 3.51Å; L95-L133 HydrophobicContact CD1-CG 3.4Å; L95-L133 VanDerWaalsContact CD1-CG 3.4Å; L95-L133 WeakPolarHBondContact CD1-O 3.38Å
96V80.1Confident77.9Confident0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-109.6107.1167.5-178.50000108.1V58 E71 V98 E109 L133 V134 N135V58-V96 HydrophobicContact CB-CG2 4.45Å; V58-V96 WeakPolarHBondContact O-CA 3.22Å; E71-V96 HydrophobicContact CB-CG2 3.8Å; V96-V98 HydrophobicContact CG1-CG2 3.91Å; V96-E109 HydrophobicContact CG2-CB 4.35Å; V96-E109 HydrophobicContact CG2-CG 4.14Å; V96-L133 PolarHBondContact N-O 2.94Å; V96-V134 HydrophobicContact CB-CG2 4.42Å; V96-V134 WeakPolarHBondContact O-CA 3.4Å; V96-N135 PolarHBondContact O-N 2.96Å
97N83.4Confident78.3Confident41 Ų4131 Ų3122%0.21918%0.175CC..EExtended strand (participates in β ladder)trans-109.6119.2175.3-168.525.1000109.9V58 N59 V60 N135V58-N97 PolarHBondContact O-N 2.85Å; N59-N97 VanDerWaalsContact CA-O 3.3Å; N59-N97 WeakPolarHBondContact CA-O 3.14Å; N59-N97 VanDerWaalsContact OD1-CB 3.26Å; N59-N97 WeakPolarHBondContact OD1-CB 3.07Å; V60-N97 PolarHBondContact N-O 2.86Å; N97-N135 CarbonylContact C-O 3.57Å; N97-N135 VanDerWaalsContact CA-O 3.29Å; N97-N135 WeakPolarHBondContact CA-O 2.99Å; N97-N135 PolarHBondContact OD1-ND2 3.17Å; N97-N135 PolarHBondContact OD1-O 2.84Å
98V80.3Confident78.8Confident0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-123.9118178.4-165.40000108.1V60 V67 V96 V105 N135 V136 T137V60-V98 HydrophobicContact CB-CG1 4.24Å; V60-V98 WeakPolarHBondContact O-CA 3.34Å; V67-V98 HydrophobicContact CB-CG1 3.92Å; V67-V98 HydrophobicContact CG1-CG1 3.34Å; V96-V98 HydrophobicContact CG1-CG2 3.91Å; V98-V105 HydrophobicContact CB-CG1 3.76Å; V98-V105 HydrophobicContact CG1-CG1 3.25Å; V98-N135 PolarHBondContact N-O 2.81Å; V98-V136 HydrophobicContact CB-CG1 4.21Å; V98-V136 CarbonylContact O-C 3.59Å; V98-V136 WeakPolarHBondContact O-CA 2.85Å; V98-T137 PolarHBondContact O-N 2.73Å
99T84.2Confident79.5Confident41 Ų4130 Ų3025%0.25217%0.167SC..EExtended strand (participates in β ladder)trans-124.5131.5-178.6-57.10000110.5V60 T61 D62 T137V60-T99 PolarHBondContact O-N 2.57Å; T61-T99 VanDerWaalsContact CA-O 3.28Å; T61-T99 WeakPolarHBondContact CA-O 3.41Å; D62-T99 PolarHBondContact N-O 3.03Å; T99-T137 VanDerWaalsContact CA-O 3.28Å; T99-T137 WeakPolarHBondContact CA-O 3.38Å
100D83.6Confident80.4Confident2 Ų232.8 Ų32.81%0.01118%0.179CC..  trans-127.8165.5165.1-163.41.8000109.3Q64 G65 V67 Q102 V105 T137 D138Q64-D100 PolarHBondContact N-OD1 2.97Å; G65-D100 PolarHBondContact N-OD2 3.2Å; V67-D100 HydrophobicContact CG2-CB 3.81Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; D100-V105 HydrophobicContact CB-CG2 3.28Å; D100-T137 PolarHBondContact N-O 2.63Å; D100-D138 WeakPolarHBondContact O-CA 3.38Å
101K81.9Confident81.3Confident97 Ų9731.2 Ų31.242%0.42217%0.168SC..SBendtrans-99.5-26.6168.5-54178.1178.8-178.80112K63 K139K63-K101 HydrophobicContact CB-CD 4.31Å; K63-K101 HydrophobicContact CG-CD 4.4Å; K63-K101 WeakPolarHBondContact O-CB 3.31Å; K101-K139 HydrophobicContact CB-CD 4.18Å; K101-K139 HydrophobicContact CG-CD 4.42Å; K101-K139 WeakPolarHBondContact O-CB 3.43Å
102Q79.9Confident82Confident91 Ų9132.8 Ų32.843%0.42516%0.163SC..SBendtrans-162.7108.6-177.9-162.7170.325.700111Q64 G65 D100 D138 Q140Q64-Q102 WeakPolarHBondContact CA-O 3.43Å; G65-Q102 PolarHBondContact N-O 2.92Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; Q102-D138 PolarHBondContact N-OD1 3.39Å; Q102-Q140 WeakPolarHBondContact CA-O 3.47Å; Q102-Q140 HydrophobicContact CG-CB 4.3Å
103G84.4Confident82.5Confident19 Ų1933.4 Ų33.420%0.19617%0.166CC..EExtended strand (participates in β ladder)trans161.4-139.6-179.700000116.8G65 D138 Q140 G141 V142G65-G103 CarbonylContact O-C 3.6Å; G65-G103 WeakPolarHBondContact O-CA 3.34Å; G103-D138 PolarHBondContact N-OD2 2.6Å; G103-Q140 PolarHBondContact N-O 2.89Å; G103-Q140 VanDerWaalsContact N-O 3.14Å; G103-G141 CarbonylContact O-C 3.59Å; G103-G141 VanDerWaalsContact O-CA 3.22Å; G103-G141 WeakPolarHBondContact O-CA 3.38Å; G103-V142 PolarHBondContact O-N 2.76Å
104V84.6Confident82.8Confident53 Ų5332.3 Ų32.332%0.32116%0.158SC..EExtended strand (participates in β ladder)trans-122.9115.9175.5-179.50000108.5G65 V66 V67 V106 V142G65-V104 PolarHBondContact O-N 2.71Å; V66-V104 CarbonylContact C-O 3.58Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-V104 HydrophobicContact CG1-CB 4.36Å; V66-V104 HydrophobicContact CG2-CB 4.31Å; V67-V104 PolarHBondContact N-O 3.3Å; V104-V106 HydrophobicContact CG1-CG2 4.12Å; V104-V142 CarbonylContact C-O 3.59Å; V104-V142 WeakPolarHBondContact CA-O 3.28Å; V104-V142 HydrophobicContact CG1-CB 4.35Å; V104-V142 HydrophobicContact CG2-CB 4.32Å
105V83.3Confident83.1Confident0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-112.7122.1-176.1-163.80000109.6V67 V98 D100 V136 D138 V142 V143 V144V67-V105 HydrophobicContact CB-CG1 4.34Å; V67-V105 CarbonylContact O-C 3.6Å; V67-V105 WeakPolarHBondContact O-CA 3.26Å; V98-V105 HydrophobicContact CB-CG1 3.76Å; V98-V105 HydrophobicContact CG1-CG1 3.25Å; D100-V105 HydrophobicContact CB-CG2 3.28Å; V105-V136 HydrophobicContact CB-CG1 3.85Å; V105-V136 HydrophobicContact CG1-CG1 3.31Å; V105-D138 HydrophobicContact CG2-CB 3.75Å; V105-V142 PolarHBondContact N-O 3.2Å; V105-V143 HydrophobicContact CB-CG1 4.29Å; V105-V143 CarbonylContact O-C 3.53Å; V105-V143 WeakPolarHBondContact O-CA 3.33Å; V105-V144 PolarHBondContact O-N 3.31Å
106V83Confident83.3Confident23 Ų2334.6 Ų34.614%0.13916%0.162CC..EExtended strand (participates in β ladder)trans-127.3105.5-179.4-175.50000109.8V67 V68 G69 V104 Q108 V144V67-V106 PolarHBondContact O-N 3.11Å; V68-V106 CarbonylContact C-O 3.56Å; V68-V106 WeakPolarHBondContact CA-O 3.1Å; V68-V106 HydrophobicContact CG1-CB 4.42Å; V68-V106 HydrophobicContact CG2-CB 4.32Å; G69-V106 PolarHBondContact N-O 3.46Å; V104-V106 HydrophobicContact CG1-CG2 4.12Å; V106-Q108 HydrophobicContact CG1-CG 3.88Å; V106-V144 CarbonylContact C-O 3.44Å; V106-V144 WeakPolarHBondContact CA-O 3.45Å; V106-V144 HydrophobicContact CG1-CB 4.44Å; V106-V144 HydrophobicContact CG2-CB 4.32Å
107G83.2Confident83.3Confident0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-96125.2168.200000110.3G69 V144 G145 Q146G69-G107 CarbonylContact O-C 2.98Å; G69-G107 WeakPolarHBondContact O-CA 3.49Å; G107-V144 PolarHBondContact N-O 2.87Å; G107-G145 CarbonylContact O-C 3.56Å; G107-G145 WeakPolarHBondContact O-CA 3.35Å; G107-Q146 PolarHBondContact O-N 2.76Å
108Q86.2Confident83.3Confident33 Ų3334.5 Ų34.515%0.15416%0.163CC..EExtended strand (participates in β ladder)trans-134.9125.9173.9-58.4-171.77.200113.4G69 Q70 E71 V106 Q146G69-Q108 PolarHBondContact O-N 3.12Å; Q70-Q108 CarbonylContact C-O 3.56Å; Q70-Q108 VanDerWaalsContact CA-O 3.24Å; Q70-Q108 WeakPolarHBondContact CA-O 3.43Å; Q70-Q108 HydrophobicContact CG-CB 4.21Å; E71-Q108 PolarHBondContact N-O 2.84Å; V106-Q108 HydrophobicContact CG1-CG 3.88Å; Q108-Q146 CarbonylContact C-O 3.55Å; Q108-Q146 VanDerWaalsContact CA-O 3.24Å; Q108-Q146 WeakPolarHBondContact CA-O 3.29Å; Q108-Q146 HydrophobicContact CG-CB 4.2Å
109E86Confident83.2Confident0 Ų034.9 Ų34.90%017%0.165CC..EExtended strand (participates in β ladder)trans-112.5136.1170.8-152.6-141.7116.700110.8E71 V96 V134 Q146 E147 K148E71-E109 HydrophobicContact CB-CG 4.05Å; V96-E109 HydrophobicContact CG2-CB 4.35Å; V96-E109 HydrophobicContact CG2-CG 4.14Å; E109-V134 HydrophobicContact CB-CG2 3.69Å; E109-Q146 PolarHBondContact N-O 2.91Å; E109-E147 HydrophobicContact CB-CG 4.01Å; E109-K148 PolarHBondContact O-N 2.93Å
110K86.4Confident82.8Confident60 Ų6033.7 Ų33.726%0.26116%0.161SC..EExtended strand (participates in β ladder)trans-135.4103.7178.9-61.1-164.4176.183.60111.4E71 K72 R73 K148E71-K110 PolarHBondContact O-N 3.01Å; K72-K110 WeakPolarHBondContact CA-O 3.44Å; K72-K110 HydrophobicContact CG-CB 4.22Å; R73-K110 PolarHBondContact N-O 2.9Å; K110-K148 WeakPolarHBondContact CA-O 3.3Å; K110-K148 HydrophobicContact CG-CB 4.23Å
111R84.8Confident82.3Confident5 Ų536.6 Ų36.62%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-111138.5-177.1-162.1168.4-177.4-110.6-8.3115.6R73 E92 E94 E130 E132 K148 R149 R150R73-R111 HydrophobicContact CB-CG 4.39Å; E92-R111 IonicContact OE2-CZ 3.99Å; E92-R111 IonicContact OE2-NH2 2.76Å; E92-R111 PolarHBondContact OE2-NH2 2.98Å; E94-R111 WeakPolarHBondContact OE2-CD 3.35Å; E94-R111 IonicContact OE2-CZ 3.12Å; E94-R111 IonicContact OE2-NE 3.16Å; E94-R111 PolarHBondContact OE2-NE 2.79Å; R111-E130 IonicContact CZ-OE2 3.48Å; R111-E130 IonicContact NH1-OE2 3.29Å; R111-E130 PolarHBondContact NH1-OE2 3.06Å; R111-E130 IonicContact NH2-OE2 2.73Å; R111-E130 PolarHBondContact NH2-OE2 3.1Å; R111-E132 WeakPolarHBondContact CD-OE1 2.92Å; R111-E132 VanDerWaalsContact CD-OE2 3.24Å; R111-E132 WeakPolarHBondContact CD-OE2 3.45Å; R111-E132 IonicContact CZ-OE1 3.89Å; R111-E132 IonicContact NE-OE1 3.61Å; R111-E132 IonicContact NH1-OE1 2.74Å; R111-E132 PolarHBondContact NH1-OE1 2.83Å; R111-E132 IonicContact NH1-OE2 2.68Å; R111-K148 PolarHBondContact N-O 3.38Å; R111-R149 HydrophobicContact CB-CG 4.46Å; R111-R149 CarbonylContact O-C 3.58Å; R111-R149 WeakPolarHBondContact O-CA 3.37Å; R111-R150 PolarHBondContact O-N 3.34Å
112R83.3Confident82Confident66 Ų6636.1 Ų36.125%0.24918%0.182CC..EExtended strand (participates in β ladder)trans-138.8100.2175.6-175.9177.2160.3-179-7.2113.2R73 R74 R75 R114 R150R73-R112 PolarHBondContact O-N 3.27Å; R74-R112 WeakPolarHBondContact CA-O 3.4Å; R74-R112 HydrophobicContact CG-CB 4.49Å; R75-R112 PolarHBondContact N-O 2.9Å; R75-R112 VanDerWaalsContact N-O 3.14Å; R112-R114 VanDerWaalsContact NH2-CZ 3.26Å; R112-R150 WeakPolarHBondContact CA-O 3.44Å
113R83.5Confident81.6Confident16 Ų1631.9 Ų31.96%0.0616%0.162CC..EExtended strand (participates in β ladder)trans-96.6137.7174.5-149.2175.1-169.1-144.86.4112.7R75 E92 E130 R150 R151 R152R75-R113 WeakPolarHBondContact O-CA 3.4Å; E92-R113 IonicContact OE1-CZ 3.7Å; E92-R113 IonicContact OE1-NE 3.3Å; E92-R113 PolarHBondContact OE1-NE 3.14Å; E92-R113 IonicContact OE1-NH2 3.65Å; E92-R113 PolarHBondContact OE1-NH2 2.89Å; R113-E130 IonicContact CZ-OE1 3.36Å; R113-E130 VanDerWaalsContact CZ-OE1 3.32Å; R113-E130 IonicContact CZ-OE2 2.72Å; R113-E130 IonicContact NE-OE1 3Å; R113-E130 IonicContact NH1-OE1 3.5Å; R113-E130 PolarHBondContact NH1-OE1 3.01Å; R113-E130 IonicContact NH1-OE2 3.8Å; R113-R150 PolarHBondContact N-O 3.49Å; R113-R150 VanDerWaalsContact N-O 3.14Å; R113-R151 HydrophobicContact CB-CB 4.39Å; R113-R151 HydrophobicContact CB-CG 3.82Å; R113-R151 WeakPolarHBondContact O-CA 3.34Å; R113-R152 PolarHBondContact O-N 2.97Å
114R81.1Confident81.3Confident72 Ų7235 Ų3527%0.27217%0.172SC..EExtended strand (participates in β ladder)trans-131.1114.1165.3-62.7-174.4173.4-168.8-4.1109.5R75 R76 R77 R112 R152R75-R114 PolarHBondContact O-N 2.95Å; R76-R114 CarbonylContact C-O 3.56Å; R76-R114 WeakPolarHBondContact CA-O 3.34Å; R76-R114 HydrophobicContact CG-CB 4.28Å; R77-R114 PolarHBondContact N-O 2.98Å; R112-R114 VanDerWaalsContact NH2-CZ 3.26Å; R114-R152 CarbonylContact C-O 3.56Å; R114-R152 WeakPolarHBondContact CA-O 3.49Å; R114-R152 HydrophobicContact CG-CB 4.28Å
115R82.2Confident81Confident11 Ų1132.5 Ų32.54%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-112.6129.4174.6-166.9174.5-175.3-123.7-4.8109.6R77 S87 T117 S125 T127 R152 R153 R154R77-R115 WeakPolarHBondContact O-CA 3.48Å; S87-R115 PolarHBondContact OG-NH2 2.99Å; R115-T117 VanDerWaalsContact CZ-OG1 3.31Å; R115-T117 PolarHBondContact NE-OG1 3.34Å; R115-S125 PolarHBondContact NH1-OG 3.2Å; R115-S125 VanDerWaalsContact NH1-OG 3.14Å; R115-S125 PolarHBondContact NH2-OG 2.85Å; R115-T127 VanDerWaalsContact CZ-CG2 3.46Å; R115-R152 PolarHBondContact N-O 2.9Å; R115-R153 CarbonylContact O-C 3.53Å; R115-R153 WeakPolarHBondContact O-CA 3.47Å; R115-R154 PolarHBondContact O-N 2.88Å
116R83.2Confident80.6Confident96 Ų9635.1 Ų35.136%0.36217%0.173SC..EExtended strand (participates in β ladder)trans-122.6115.9166.5-177.9178.4-179.7-179.3-1.5107.5R77 R78 T79 R154R77-R116 PolarHBondContact O-N 3.18Å; R78-R116 CarbonylContact C-O 3.54Å; R78-R116 WeakPolarHBondContact CA-O 3.3Å; T79-R116 PolarHBondContact N-O 3.37Å; R116-R154 CarbonylContact C-O 3.58Å; R116-R154 VanDerWaalsContact CA-O 3.31Å; R116-R154 WeakPolarHBondContact CA-O 3.5Å; R116-R154 HydrophobicContact CG-CB 4.48Å
117T81.5Confident80Confident0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-115.8132.7175.7-51.20000107.8T79 R115 L119 R154 T155 T156T79-T117 WeakPolarHBondContact O-CA 3.31Å; R115-T117 VanDerWaalsContact CZ-OG1 3.31Å; R115-T117 PolarHBondContact NE-OG1 3.34Å; T117-L119 HydrophobicContact CG2-CD2 3.72Å; T117-L119 HydrophobicContact CG2-CG 3.93Å; T117-R154 PolarHBondContact N-O 3.47Å; T117-T155 WeakPolarHBondContact O-CA 3.49Å; T117-T156 PolarHBondContact O-N 2.87Å
118T82.3Confident79.2Confident39 Ų3935.4 Ų35.424%0.23918%0.175CC..EExtended strand (participates in β ladder)trans-133.5113.8171.6-57.60000106.6T79 T80 L81 T156T79-T118 PolarHBondContact O-N 3.11Å; T80-T118 VanDerWaalsContact CA-O 3.31Å; T80-T118 WeakPolarHBondContact CA-O 3.34Å; L81-T118 PolarHBondContact N-O 2.86Å; T118-T156 VanDerWaalsContact CA-O 3.3Å; T118-T156 WeakPolarHBondContact CA-O 3.47Å
119L77.4Confident78.3Confident8 Ų835.3 Ų35.34%0.04218%0.183CC..  trans-107.6152178.1-53.9-171.4000109.3L81 T117 G123 E124 T156 L157L81-L119 HydrophobicContact CB-CD2 3.72Å; L81-L119 HydrophobicContact CD1-CD2 3.57Å; L81-L119 HydrophobicContact CG-CD2 3.62Å; T117-L119 HydrophobicContact CG2-CD2 3.72Å; T117-L119 HydrophobicContact CG2-CG 3.93Å; L119-G123 WeakPolarHBondContact CD1-O 3.42Å; L119-E124 VanDerWaalsContact CD1-C 3.4Å; L119-E124 VanDerWaalsContact CD1-O 3.25Å; L119-E124 WeakPolarHBondContact CD1-O 3.34Å; L119-T156 PolarHBondContact N-O 2.87Å; L119-L157 HydrophobicContact CB-CD2 3.78Å; L119-L157 HydrophobicContact CD1-CD2 3.55Å; L119-L157 HydrophobicContact CG-CD2 3.58Å
120G76.4Confident77.9Confident17 Ų1735.5 Ų35.518%0.17518%0.184CC..  trans-68.8-159.2172.600000113L81 G82 L122 G158L81-G120 PolarHBondContact O-N 2.79Å; G82-G120 WeakPolarHBondContact O-CA 3.28Å; G82-G120 PolarHBondContact O-N 2.82Å; G120-L122 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-CA 3.28Å; G120-G158 WeakPolarHBondContact O-CA 3.14Å; G120-G158 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-N 3.12Å
121P73.9Confident77.4Confident63 Ų6337 Ų3741%0.40919%0.192SC..SBendtrans-63.4-38.7-171.6-24.236.6000115P83 L160P83-P121 HydrophobicContact CB-CG 4.46Å; P83-P121 WeakPolarHBondContact O-CD 3.31Å; P121-L160 CarbonylContact O-C 3.59Å; P121-L160 WeakPolarHBondContact O-CA 3.36Å; P121-L160 WeakPolarHBondContact O-CB 3.34Å; P121-L160 PolarHBondContact O-N 2.82Å
122L74.3Confident77.3Confident86 Ų8636.9 Ų36.945%0.4519%0.192SC..EExtended strand (participates in β ladder)trans-120.491-178.2-74.6160.1000106.7P83 L84 G85 G120 L160P83-L122 CarbonylContact O-C 3.49Å; P83-L122 PolarHBondContact O-N 2.94Å; L84-L122 VanDerWaalsContact CA-O 3.32Å; L84-L122 WeakPolarHBondContact CA-O 3.43Å; L84-L122 HydrophobicContact CD2-CB 3.44Å; L84-L122 VanDerWaalsContact CD2-CB 3.44Å; L84-L122 HydrophobicContact CD2-CD1 3.32Å; L84-L122 HydrophobicContact CD2-CG 3.99Å; G85-L122 PolarHBondContact N-O 2.94Å; G85-L122 VanDerWaalsContact N-O 3.15Å; G120-L122 PolarHBondContact O-N 2.83Å; L122-L160 HydrophobicContact CD2-CB 3.53Å; L122-L160 HydrophobicContact CD2-CD1 3.58Å; L122-L160 HydrophobicContact CD2-CG 4.18Å; L122-L160 HydrophobicContact CG-CB 4.27Å; L122-L160 HydrophobicContact CG-CD1 4.27Å
123G72.7Confident77.2Confident2 Ų236.5 Ų36.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-145.4125.4-172.900000112.2G85 L119 G161 E162G85-G123 WeakPolarHBondContact O-CA 3.35Å; L119-G123 WeakPolarHBondContact CD1-O 3.42Å; G123-G161 CarbonylContact O-C 3.56Å; G123-G161 WeakPolarHBondContact O-CA 3.38Å; G123-E162 PolarHBondContact O-N 2.84Å; G123-E162 VanDerWaalsContact O-N 3.14Å
124E77.8Confident77.2Confident85 Ų8535.8 Ų35.840%0.39719%0.191SC..EExtended strand (participates in β ladder)trans-101.5136.8176-59.2-174.6-168.400109.8G85 E86 S87 L119 E162G85-E124 PolarHBondContact O-N 2.88Å; E86-E124 WeakPolarHBondContact CA-O 3.41Å; E86-E124 HydrophobicContact CG-CB 4.33Å; S87-E124 PolarHBondContact N-O 2.86Å; L119-E124 VanDerWaalsContact CD1-C 3.4Å; L119-E124 VanDerWaalsContact CD1-O 3.25Å; L119-E124 WeakPolarHBondContact CD1-O 3.34Å; E124-E162 CarbonylContact C-O 3.57Å; E124-E162 WeakPolarHBondContact CA-O 3.47Å; E124-E162 HydrophobicContact CG-CB 4.37Å
125S77.7Confident77.4Confident1 Ų134 Ų341%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-130.9111.3163.9-177.70000111.4S87 R115 E162 S163 T164S87-S125 WeakPolarHBondContact O-CA 3.39Å; S87-S125 PolarHBondContact O-OG 2.83Å; S87-S125 VanDerWaalsContact O-OG 3.12Å; R115-S125 PolarHBondContact NH1-OG 3.2Å; R115-S125 VanDerWaalsContact NH1-OG 3.14Å; R115-S125 PolarHBondContact NH2-OG 2.85Å; S125-E162 PolarHBondContact N-O 2.9Å; S125-S163 WeakPolarHBondContact O-CA 3.34Å; S125-T164 PolarHBondContact O-N 2.92Å
126T75.6Confident77.5Confident54 Ų5433.4 Ų33.433%0.33119%0.185SC..EExtended strand (participates in β ladder)trans-94.4127.6167.5-56.90000108.8S87 T88 T89 T164S87-T126 PolarHBondContact O-N 2.88Å; S87-T126 VanDerWaalsContact O-N 3.16Å; T88-T126 WeakPolarHBondContact CA-O 3.42Å; T89-T126 PolarHBondContact N-O 2.85Å; T89-T126 VanDerWaalsContact N-O 3.09Å; T126-T164 WeakPolarHBondContact CA-O 3.38Å
127T69.5Low77.7Confident8 Ų830.7 Ų30.75%0.04918%0.179CC..  trans-100.7172.1155.9640000108.3T89 R115 T164 T165 P166T89-T127 CarbonylContact O-C 3.6Å; T89-T127 WeakPolarHBondContact OG1-CA 3.35Å; T89-T127 WeakPolarHBondContact OG1-CB 3.34Å; T89-T127 WeakPolarHBondContact OG1-CG2 3.35Å; R115-T127 VanDerWaalsContact CZ-CG2 3.46Å; T127-T164 PolarHBondContact N-O 2.89Å; T127-T165 HydrophobicContact CG2-CG2 4.49Å; T127-T165 WeakPolarHBondContact OG1-CA 3.46Å; T127-T165 WeakPolarHBondContact OG1-CB 3.48Å; T127-T165 VanDerWaalsContact OG1-CG2 3.23Å; T127-T165 WeakPolarHBondContact OG1-CG2 3.23Å; T127-P166 WeakPolarHBondContact O-CD 3.09Å; T127-P166 WeakPolarHBondContact O-CG 3.15Å; T127-P166 WeakPolarHBondContact OG1-CD 3.22Å
128P66.5Low77.9Confident21 Ų2130.8 Ų30.814%0.13618%0.18CC..  trans-109.3175.9179.841.9-27.8000109.4T89 P90 P166T89-P128 WeakPolarHBondContact O-CB 3.46Å; T89-P128 WeakPolarHBondContact O-CD 3.34Å; T89-P128 WeakPolarHBondContact O-CG 3.49Å; T89-P128 WeakPolarHBondContact OG1-CD 3.45Å; P90-P128 VanDerWaalsContact CA-CG 3.41Å; P90-P128 WeakPolarHBondContact O-CG 3.44Å; P128-P166 WeakPolarHBondContact O-CD 3.47Å
129G68.4Low78Confident31 Ų3133.3 Ų33.332%0.3219%0.187SC..  trans-56.9155.2168.100000112.1G91 E92 G167G91-G129 WeakPolarHBondContact CA-O 3.47Å; E92-G129 PolarHBondContact N-O 2.78Å; G129-G167 VanDerWaalsContact CA-O 3.3Å; G129-G167 WeakPolarHBondContact CA-O 3.44Å
130E76.6Confident78.2Confident4 Ų436.8 Ų36.82%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-133.2125.5166.1-64.5177.9-123.200107.2E92 R111 R113 R151 G167 E168 E169E92-E130 HydrophobicContact CB-CG 4.27Å; E92-E130 VanDerWaalsContact O-CA 3.3Å; E92-E130 WeakPolarHBondContact O-CA 3.34Å; R111-E130 IonicContact CZ-OE2 3.48Å; R111-E130 IonicContact NH1-OE2 3.29Å; R111-E130 PolarHBondContact NH1-OE2 3.06Å; R111-E130 IonicContact NH2-OE2 2.73Å; R111-E130 PolarHBondContact NH2-OE2 3.1Å; R113-E130 IonicContact CZ-OE1 3.36Å; R113-E130 VanDerWaalsContact CZ-OE1 3.32Å; R113-E130 IonicContact CZ-OE2 2.72Å; R113-E130 IonicContact NE-OE1 3Å; R113-E130 IonicContact NH1-OE1 3.5Å; R113-E130 PolarHBondContact NH1-OE1 3.01Å; R113-E130 IonicContact NH1-OE2 3.8Å; E130-R151 VanDerWaalsContact CB-NH2 3.32Å; E130-R151 IonicContact OE1-CZ 3.19Å; E130-R151 VanDerWaalsContact OE1-CZ 3.3Å; E130-R151 IonicContact OE1-NE 3.38Å; E130-R151 IonicContact OE1-NH1 2.76Å; E130-R151 PolarHBondContact OE1-NH1 2.84Å; E130-R151 IonicContact OE1-NH2 3.07Å; E130-R151 IonicContact OE2-CZ 3.2Å; E130-R151 IonicContact OE2-NE 2.58Å; E130-R151 PolarHBondContact OE2-NE 3Å; E130-R151 VanDerWaalsContact OE2-NE 3.16Å; E130-R151 IonicContact OE2-NH1 2.78Å; E130-R151 PolarHBondContact OE2-NH1 2.88Å; E130-R151 IonicContact OE2-NH2 2.6Å; E130-R151 PolarHBondContact OE2-NH2 3.39Å; E130-G167 PolarHBondContact N-O 2.86Å; E130-E168 WeakPolarHBondContact O-CA 2.88Å; E130-E169 PolarHBondContact O-N 2.95Å
131E77.6Confident78.7Confident91 Ų9137 Ų3743%0.42521%0.206SC..EExtended strand (participates in β ladder)trans-114.7126-179.9-59.7-177.6-166.500108.4E92 E93 E94 E169E92-E131 PolarHBondContact O-N 2.85Å; E93-E131 WeakPolarHBondContact CA-O 3.43Å; E93-E131 HydrophobicContact CG-CB 4.3Å; E94-E131 PolarHBondContact N-O 2.88Å; E131-E169 WeakPolarHBondContact CA-O 3.39Å; E131-E169 HydrophobicContact CG-CB 4.34Å
132E80.9Confident79.3Confident4 Ų436.6 Ų36.62%0.01920%0.202CC..EExtended strand (participates in β ladder)trans-125.3119179.6-76.5165.2-126.600107.6E94 R111 R149 R151 E169 E170 L171E94-E132 HydrophobicContact CB-CG 4.42Å; R111-E132 WeakPolarHBondContact CD-OE1 2.92Å; R111-E132 VanDerWaalsContact CD-OE2 3.24Å; R111-E132 WeakPolarHBondContact CD-OE2 3.45Å; R111-E132 IonicContact CZ-OE1 3.89Å; R111-E132 IonicContact NE-OE1 3.61Å; R111-E132 IonicContact NH1-OE1 2.74Å; R111-E132 PolarHBondContact NH1-OE1 2.83Å; R111-E132 IonicContact NH1-OE2 2.68Å; E132-R149 IonicContact OE1-NE 3.91Å; E132-R149 PolarHBondContact OE1-NE 2.92Å; E132-R149 WeakPolarHBondContact OE2-CD 3.44Å; E132-R149 IonicContact OE2-NE 3.86Å; E132-R151 IonicContact OE1-CZ 3.55Å; E132-R151 IonicContact OE1-NE 2.92Å; E132-R151 IonicContact OE1-NH2 3.54Å; E132-R151 PolarHBondContact OE1-NH2 2.88Å; E132-E169 PolarHBondContact N-O 2.94Å; E132-E170 CarbonylContact O-C 3.55Å; E132-E170 WeakPolarHBondContact O-CA 3.44Å; E132-L171 PolarHBondContact O-N 3.31Å
133L83.2Confident79.8Confident58 Ų5832.5 Ų32.530%0.30418%0.181SC..EExtended strand (participates in β ladder)trans-125.4121.2-178.6174.360.9000110.9E94 L95 V96 L171E94-L133 PolarHBondContact O-N 2.91Å; L95-L133 CarbonylContact C-O 3.01Å; L95-L133 WeakPolarHBondContact CA-O 3.35Å; L95-L133 HydrophobicContact CD1-CB 3.75Å; L95-L133 HydrophobicContact CD1-CD2 3.51Å; L95-L133 HydrophobicContact CD1-CG 3.4Å; L95-L133 VanDerWaalsContact CD1-CG 3.4Å; L95-L133 WeakPolarHBondContact CD1-O 3.38Å; V96-L133 PolarHBondContact N-O 2.94Å; L133-L171 CarbonylContact C-O 3.58Å; L133-L171 WeakPolarHBondContact CA-O 3.26Å; L133-L171 HydrophobicContact CD1-CB 3.66Å; L133-L171 HydrophobicContact CD1-CD2 3.58Å; L133-L171 HydrophobicContact CD1-CG 3.42Å; L133-L171 VanDerWaalsContact CD1-CG 3.42Å; L133-L171 WeakPolarHBondContact CD1-O 3.23Å
134V81.8Confident80.4Confident0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-111.7106.2168.5-178.30000108.2V96 E109 V136 E147 L171 V172 N173V96-V134 HydrophobicContact CB-CG2 4.42Å; V96-V134 WeakPolarHBondContact O-CA 3.4Å; E109-V134 HydrophobicContact CB-CG2 3.69Å; V134-V136 HydrophobicContact CG1-CG2 3.83Å; V134-E147 HydrophobicContact CG2-CB 4.17Å; V134-E147 HydrophobicContact CG2-CG 4.09Å; V134-L171 PolarHBondContact N-O 2.63Å; V134-V172 HydrophobicContact CB-CG2 4.41Å; V134-V172 WeakPolarHBondContact O-CA 3.33Å; V134-N173 PolarHBondContact O-N 3.49Å
135N86.5Confident80.8Confident34 Ų3429.6 Ų29.618%0.18217%0.168CC..EExtended strand (participates in β ladder)trans-106.7119.9175-171.348.8000109.9V96 N97 V98 N173V96-N135 PolarHBondContact O-N 2.96Å; N97-N135 CarbonylContact C-O 3.57Å; N97-N135 VanDerWaalsContact CA-O 3.29Å; N97-N135 WeakPolarHBondContact CA-O 2.99Å; N97-N135 PolarHBondContact OD1-ND2 3.17Å; N97-N135 PolarHBondContact OD1-O 2.84Å; V98-N135 PolarHBondContact N-O 2.81Å; N135-N173 CarbonylContact C-O 3.6Å; N135-N173 WeakPolarHBondContact CA-O 3.25Å; N135-N173 PolarHBondContact OD1-ND2 2.86Å; N135-N173 PolarHBondContact OD1-O 2.59Å
136V83.6Confident81.3Confident0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-126.7117.1179.1-164.90000108V98 V105 V134 V143 N173 V174 T175V98-V136 HydrophobicContact CB-CG1 4.21Å; V98-V136 CarbonylContact O-C 3.59Å; V98-V136 WeakPolarHBondContact O-CA 2.85Å; V105-V136 HydrophobicContact CB-CG1 3.85Å; V105-V136 HydrophobicContact CG1-CG1 3.31Å; V134-V136 HydrophobicContact CG1-CG2 3.83Å; V136-V143 HydrophobicContact CB-CG1 3.75Å; V136-V143 HydrophobicContact CG1-CG1 3.26Å; V136-N173 PolarHBondContact N-O 2.83Å; V136-V174 HydrophobicContact CB-CG1 4.21Å; V136-V174 CarbonylContact O-C 3.59Å; V136-V174 WeakPolarHBondContact O-CA 3.17Å; V136-T175 PolarHBondContact O-N 3.19Å
137T86.7Confident81.9Confident39 Ų3928.4 Ų28.424%0.23916%0.159CC..EExtended strand (participates in β ladder)trans-125.4130.6-176.8-56.20000110.4V98 T99 D100 T175V98-T137 PolarHBondContact O-N 2.73Å; T99-T137 VanDerWaalsContact CA-O 3.28Å; T99-T137 WeakPolarHBondContact CA-O 3.38Å; D100-T137 PolarHBondContact N-O 2.63Å; T137-T175 VanDerWaalsContact CA-O 3.3Å; T137-T175 WeakPolarHBondContact CA-O 3.46Å
138D85.8Confident82.8Confident2 Ų231.3 Ų31.31%0.01117%0.17CC..  trans-126.4165.6163.7-162.9-0.8000109D100 Q102 G103 V105 Q140 V143 T175 D176D100-D138 WeakPolarHBondContact O-CA 3.38Å; Q102-D138 PolarHBondContact N-OD1 3.39Å; G103-D138 PolarHBondContact N-OD2 2.6Å; V105-D138 HydrophobicContact CG2-CB 3.75Å; D138-Q140 PolarHBondContact OD1-N 3.07Å; D138-V143 HydrophobicContact CB-CG2 3.28Å; D138-T175 PolarHBondContact N-O 3.2Å; D138-D176 WeakPolarHBondContact O-CA 3.41Å
139K84.7Confident83.8Confident91 Ų9130.5 Ų30.540%0.39617%0.165SC..SBendtrans-98-32.6167-54.7177.7179.9179.90111.6K101 K177 Q178K101-K139 HydrophobicContact CB-CD 4.18Å; K101-K139 HydrophobicContact CG-CD 4.42Å; K101-K139 WeakPolarHBondContact O-CB 3.43Å; K139-K177 HydrophobicContact CB-CD 4.18Å; K139-K177 HydrophobicContact CG-CD 4.43Å; K139-K177 VanDerWaalsContact O-CB 3.25Å; K139-K177 WeakPolarHBondContact O-CB 3.49Å; K139-Q178 PolarHBondContact O-N 3.13Å
140Q82.4Confident84.6Confident82 Ų8232.2 Ų32.238%0.38316%0.162SC..SBendtrans-155.3109.4-177.7-67.8-174.4-25.700110.6Q102 G103 D138 D176 Q178Q102-Q140 WeakPolarHBondContact CA-O 3.47Å; Q102-Q140 HydrophobicContact CG-CB 4.3Å; G103-Q140 PolarHBondContact N-O 2.89Å; G103-Q140 VanDerWaalsContact N-O 3.14Å; D138-Q140 PolarHBondContact OD1-N 3.07Å; Q140-D176 PolarHBondContact N-OD1 2.97Å; Q140-Q178 WeakPolarHBondContact CA-O 3.35Å; Q140-Q178 HydrophobicContact CG-CB 4.39Å
141G86.1Confident85Confident22 Ų2232.7 Ų32.723%0.22716%0.163CC..EExtended strand (participates in β ladder)trans158.9-130.1174.300000116.2G103 D176 Q178 G179 V180G103-G141 CarbonylContact O-C 3.59Å; G103-G141 VanDerWaalsContact O-CA 3.22Å; G103-G141 WeakPolarHBondContact O-CA 3.38Å; G141-D176 PolarHBondContact N-OD2 3.05Å; G141-Q178 PolarHBondContact N-O 3.02Å; G141-Q178 VanDerWaalsContact N-O 3.11Å; G141-G179 CarbonylContact O-C 3.59Å; G141-G179 WeakPolarHBondContact O-CA 3.36Å; G141-V180 PolarHBondContact O-N 2.88Å
142V86.2Confident85.3Confident54 Ų5431.8 Ų31.833%0.32716%0.156SC..EExtended strand (participates in β ladder)trans-127.6117.4178.4-179.30000109.1G103 V104 V105 V144 V180G103-V142 PolarHBondContact O-N 2.76Å; V104-V142 CarbonylContact C-O 3.59Å; V104-V142 WeakPolarHBondContact CA-O 3.28Å; V104-V142 HydrophobicContact CG1-CB 4.35Å; V104-V142 HydrophobicContact CG2-CB 4.32Å; V105-V142 PolarHBondContact N-O 3.2Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V142-V180 CarbonylContact C-O 3.58Å; V142-V180 WeakPolarHBondContact CA-O 3.49Å; V142-V180 HydrophobicContact CG1-CB 4.34Å; V142-V180 HydrophobicContact CG2-CB 4.32Å
143V85.2Confident85.5Confident0 Ų032.9 Ų32.90%016%0.16CC..EExtended strand (participates in β ladder)trans-115.3122.5-175.1-162.80000109.6V105 V136 D138 V174 D176 V180 V181 V182V105-V143 HydrophobicContact CB-CG1 4.29Å; V105-V143 CarbonylContact O-C 3.53Å; V105-V143 WeakPolarHBondContact O-CA 3.33Å; V136-V143 HydrophobicContact CB-CG1 3.75Å; V136-V143 HydrophobicContact CG1-CG1 3.26Å; D138-V143 HydrophobicContact CB-CG2 3.28Å; V143-V174 HydrophobicContact CB-CG1 3.8Å; V143-V174 HydrophobicContact CG1-CG1 3.29Å; V143-D176 HydrophobicContact CG2-CB 3.72Å; V143-V180 PolarHBondContact N-O 2.58Å; V143-V181 HydrophobicContact CB-CG1 4.28Å; V143-V181 CarbonylContact O-C 3.56Å; V143-V181 WeakPolarHBondContact O-CA 3.42Å; V143-V182 PolarHBondContact O-N 3.03Å
144V85.7Confident85.6Confident26 Ų2634.6 Ų34.616%0.15816%0.162CC..EExtended strand (participates in β ladder)trans-128106.3-179.1-1750000109.8V105 V106 G107 V142 Q146 V182V105-V144 PolarHBondContact O-N 3.31Å; V106-V144 CarbonylContact C-O 3.44Å; V106-V144 WeakPolarHBondContact CA-O 3.45Å; V106-V144 HydrophobicContact CG1-CB 4.44Å; V106-V144 HydrophobicContact CG2-CB 4.32Å; G107-V144 PolarHBondContact N-O 2.87Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V144-Q146 HydrophobicContact CG1-CG 3.93Å; V144-V182 CarbonylContact C-O 3.58Å; V144-V182 WeakPolarHBondContact CA-O 3.37Å; V144-V182 HydrophobicContact CG1-CB 4.41Å; V144-V182 HydrophobicContact CG2-CB 4.33Å
145G86.2Confident85.7Confident0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-97.7126.6168.500000110.5G107 V182 G183 Q184G107-G145 CarbonylContact O-C 3.56Å; G107-G145 WeakPolarHBondContact O-CA 3.35Å; G145-V182 PolarHBondContact N-O 2.95Å; G145-G183 CarbonylContact O-C 3.6Å; G145-G183 WeakPolarHBondContact O-CA 3.46Å; G145-Q184 PolarHBondContact O-N 2.86Å
146Q88.1Confident85.6Confident29 Ų2934.9 Ų34.914%0.13617%0.165CC..EExtended strand (participates in β ladder)trans-135129.8173.7-55.9-172.1-0.200113.3G107 Q108 E109 V144 Q184G107-Q146 PolarHBondContact O-N 2.76Å; Q108-Q146 CarbonylContact C-O 3.55Å; Q108-Q146 VanDerWaalsContact CA-O 3.24Å; Q108-Q146 WeakPolarHBondContact CA-O 3.29Å; Q108-Q146 HydrophobicContact CG-CB 4.2Å; E109-Q146 PolarHBondContact N-O 2.91Å; V144-Q146 HydrophobicContact CG1-CG 3.93Å; Q146-Q184 CarbonylContact C-O 3.6Å; Q146-Q184 VanDerWaalsContact CA-O 3.23Å; Q146-Q184 WeakPolarHBondContact CA-O 3.4Å; Q146-Q184 HydrophobicContact CG-CB 4.22Å
147E88.1Confident85.4Confident1 Ų135.2 Ų35.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-120.7134.3173.3-159.3-124.2107.400110.4E109 V134 V172 Q184 E185 K186E109-E147 HydrophobicContact CB-CG 4.01Å; V134-E147 HydrophobicContact CG2-CB 4.17Å; V134-E147 HydrophobicContact CG2-CG 4.09Å; E147-V172 HydrophobicContact CB-CG2 3.55Å; E147-Q184 PolarHBondContact N-O 2.87Å; E147-E185 HydrophobicContact CB-CG 4.05Å; E147-E185 WeakPolarHBondContact OE2-CG 2.87Å; E147-K186 PolarHBondContact O-N 2.93Å
148K88.9Confident85Confident68 Ų6834 Ų3430%0.29616%0.163SC..EExtended strand (participates in β ladder)trans-138.298.8-173.3-75177.8178.1130.40111.2E109 K110 R111 K186E109-K148 PolarHBondContact O-N 2.93Å; K110-K148 WeakPolarHBondContact CA-O 3.3Å; K110-K148 HydrophobicContact CG-CB 4.23Å; R111-K148 PolarHBondContact N-O 3.38Å; K148-K186 HydrophobicContact CG-CB 4.22Å
149R86.7Confident84.5Confident4 Ų436.7 Ų36.72%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-109.4142.7-176.9-172.7177.1-179.6-113.9-83.4115.9R111 E132 R151 E168 E170 K186 R187 R188R111-R149 HydrophobicContact CB-CG 4.46Å; R111-R149 CarbonylContact O-C 3.58Å; R111-R149 WeakPolarHBondContact O-CA 3.37Å; E132-R149 IonicContact OE1-NE 3.91Å; E132-R149 PolarHBondContact OE1-NE 2.92Å; E132-R149 WeakPolarHBondContact OE2-CD 3.44Å; E132-R149 IonicContact OE2-NE 3.86Å; R149-R151 HydrophobicContact CG-CG 4.2Å; R149-E168 IonicContact CZ-OE2 3.4Å; R149-E168 IonicContact NH1-OE2 3.97Å; R149-E168 PolarHBondContact NH1-OE2 3.25Å; R149-E168 IonicContact NH2-OE2 3.69Å; R149-E168 PolarHBondContact NH2-OE2 2.59Å; R149-E170 VanDerWaalsContact CD-CD 3.42Å; R149-E170 WeakPolarHBondContact CD-OE1 3.34Å; R149-E170 VanDerWaalsContact CD-OE2 3.24Å; R149-E170 WeakPolarHBondContact CD-OE2 3.33Å; R149-E170 IonicContact CZ-OE1 2.7Å; R149-E170 IonicContact CZ-OE2 3.9Å; R149-E170 IonicContact NE-OE1 3.15Å; R149-E170 PolarHBondContact NE-OE1 2.72Å; R149-E170 IonicContact NE-OE2 3.42Å; R149-E170 IonicContact NH1-OE1 3.39Å; R149-E170 PolarHBondContact NH1-OE1 3.03Å; R149-E170 IonicContact NH1-OE2 2.79Å; R149-E170 PolarHBondContact NH1-OE2 3.35Å; R149-K186 PolarHBondContact N-O 2.92Å; R149-R187 HydrophobicContact CB-CG 4.41Å; R149-R187 VanDerWaalsContact NH1-NH2 3.17Å; R149-R187 VanDerWaalsContact NH2-NH2 3.19Å; R149-R188 PolarHBondContact O-N 3.07Å
150R85.7Confident84.1Confident68 Ų6836.4 Ų36.426%0.25718%0.182SC..  trans-141.597.6174.3-176.2-178.8168.2-179.7-1.8112.4R111 R112 R113 R152 R188R111-R150 PolarHBondContact O-N 3.34Å; R112-R150 WeakPolarHBondContact CA-O 3.44Å; R113-R150 PolarHBondContact N-O 3.49Å; R113-R150 VanDerWaalsContact N-O 3.14Å; R150-R152 VanDerWaalsContact NH2-CZ 3.32Å; R150-R188 WeakPolarHBondContact CA-O 3.35Å; R150-R188 HydrophobicContact CG-CB 4.48Å
151R85.3Confident83.7Confident13 Ų1332.5 Ų32.55%0.04916%0.164CC..  trans-97.2139.1172.1-59.6-155.7-161.8144.213113.1R113 E130 E132 R149 E168 E170 R188 R190R113-R151 HydrophobicContact CB-CB 4.39Å; R113-R151 HydrophobicContact CB-CG 3.82Å; R113-R151 WeakPolarHBondContact O-CA 3.34Å; E130-R151 VanDerWaalsContact CB-NH2 3.32Å; E130-R151 IonicContact OE1-CZ 3.19Å; E130-R151 VanDerWaalsContact OE1-CZ 3.3Å; E130-R151 IonicContact OE1-NE 3.38Å; E130-R151 IonicContact OE1-NH1 2.76Å; E130-R151 PolarHBondContact OE1-NH1 2.84Å; E130-R151 IonicContact OE1-NH2 3.07Å; E130-R151 IonicContact OE2-CZ 3.2Å; E130-R151 IonicContact OE2-NE 2.58Å; E130-R151 PolarHBondContact OE2-NE 3Å; E130-R151 VanDerWaalsContact OE2-NE 3.16Å; E130-R151 IonicContact OE2-NH1 2.78Å; E130-R151 PolarHBondContact OE2-NH1 2.88Å; E130-R151 IonicContact OE2-NH2 2.6Å; E130-R151 PolarHBondContact OE2-NH2 3.39Å; E132-R151 IonicContact OE1-CZ 3.55Å; E132-R151 IonicContact OE1-NE 2.92Å; E132-R151 IonicContact OE1-NH2 3.54Å; E132-R151 PolarHBondContact OE1-NH2 2.88Å; R149-R151 HydrophobicContact CG-CG 4.2Å; R151-E168 IonicContact CZ-OE2 3.79Å; R151-E168 IonicContact NH1-OE1 3.14Å; R151-E168 PolarHBondContact NH1-OE1 2.84Å; R151-E168 VanDerWaalsContact NH1-OE1 3.07Å; R151-E168 IonicContact NH1-OE2 3.44Å; R151-E168 PolarHBondContact NH1-OE2 2.78Å; R151-E168 IonicContact NH2-OE2 3.08Å; R151-E170 IonicContact NH2-OE1 3.73Å; R151-R188 PolarHBondContact N-O 3.47Å; R151-R190 PolarHBondContact O-N 2.98Å
152R84.2Confident83.4Confident72 Ų7235.5 Ų35.527%0.27217%0.172SC..EExtended strand (participates in β ladder)trans-129.6114.8169.3-63.2-173.1170.8-173.5-5.3109.5R113 R114 R115 R150 R190R113-R152 PolarHBondContact O-N 2.97Å; R114-R152 CarbonylContact C-O 3.56Å; R114-R152 WeakPolarHBondContact CA-O 3.49Å; R114-R152 HydrophobicContact CG-CB 4.28Å; R115-R152 PolarHBondContact N-O 2.9Å; R150-R152 VanDerWaalsContact NH2-CZ 3.32Å; R152-R190 CarbonylContact C-O 3.56Å; R152-R190 VanDerWaalsContact CA-O 3.3Å; R152-R190 WeakPolarHBondContact CA-O 2.95Å; R152-R190 HydrophobicContact CG-CB 4.25Å
153R84.7Confident83.1Confident28 Ų2833 Ų3311%0.10616%0.157CC..EExtended strand (participates in β ladder)trans-113130175.4-169.8172.4-179.8-125.9-3.4109.7R115 T155 S163 R190 R191 R192R115-R153 CarbonylContact O-C 3.53Å; R115-R153 WeakPolarHBondContact O-CA 3.47Å; R153-T155 VanDerWaalsContact CZ-OG1 3.27Å; R153-T155 PolarHBondContact NE-OG1 2.91Å; R153-T155 PolarHBondContact NH2-OG1 2.97Å; R153-S163 PolarHBondContact NH1-OG 2.93Å; R153-S163 PolarHBondContact NH2-OG 2.95Å; R153-R190 PolarHBondContact N-O 2.92Å; R153-R191 HydrophobicContact CB-CG 4.49Å; R153-R191 CarbonylContact O-C 3.57Å; R153-R191 WeakPolarHBondContact O-CA 3.37Å; R153-R192 PolarHBondContact O-N 2.85Å
154R85.4Confident82.7Confident94 Ų9435.7 Ų35.736%0.35517%0.174SC..EExtended strand (participates in β ladder)trans-122.7115.7165.7-177.8178.3179.6-178.5-1.2107.4R115 R116 T117 R192R115-R154 PolarHBondContact O-N 2.88Å; R116-R154 CarbonylContact C-O 3.58Å; R116-R154 VanDerWaalsContact CA-O 3.31Å; R116-R154 WeakPolarHBondContact CA-O 3.5Å; R116-R154 HydrophobicContact CG-CB 4.48Å; T117-R154 PolarHBondContact N-O 3.47Å; R154-R192 CarbonylContact C-O 3.56Å; R154-R192 VanDerWaalsContact CA-O 3.3Å; R154-R192 WeakPolarHBondContact CA-O 3.24Å; R154-R192 HydrophobicContact CG-CB 4.48Å
155T83.3Confident81.9Confident0 Ų034.6 Ų34.60%017%0.167CC..EExtended strand (participates in β ladder)trans-115.7133.1175-510000107.8T117 R153 L157 R192 T193 T194T117-T155 WeakPolarHBondContact O-CA 3.49Å; R153-T155 VanDerWaalsContact CZ-OG1 3.27Å; R153-T155 PolarHBondContact NE-OG1 2.91Å; R153-T155 PolarHBondContact NH2-OG1 2.97Å; T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 HydrophobicContact CG2-CD2 3.65Å; T155-L157 HydrophobicContact CG2-CG 3.86Å; T155-R192 PolarHBondContact N-O 3.46Å; T155-T193 WeakPolarHBondContact O-CA 3.07Å; T155-T194 PolarHBondContact O-N 2.84Å
156T84.3Confident81Confident39 Ų3936.2 Ų36.224%0.23918%0.178CC..EExtended strand (participates in β ladder)trans-130.8115170.3-59.60000106.1T117 T118 L119 T194T117-T156 PolarHBondContact O-N 2.87Å; T118-T156 VanDerWaalsContact CA-O 3.3Å; T118-T156 WeakPolarHBondContact CA-O 3.47Å; L119-T156 PolarHBondContact N-O 2.87Å; T156-T194 VanDerWaalsContact CA-O 3.3Å; T156-T194 WeakPolarHBondContact CA-O 2.71Å
157L79.4Confident80.1Confident7 Ų736.1 Ų36.14%0.03718%0.184CC..  trans-108.5149.1177.9-57.1-169.1000108.9L119 T155 G161 E162 T194 L195 G196L119-L157 HydrophobicContact CB-CD2 3.78Å; L119-L157 HydrophobicContact CD1-CD2 3.55Å; L119-L157 HydrophobicContact CG-CD2 3.58Å; T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 HydrophobicContact CG2-CD2 3.65Å; T155-L157 HydrophobicContact CG2-CG 3.86Å; L157-G161 VanDerWaalsContact CD1-C 3.41Å; L157-G161 VanDerWaalsContact CD1-O 3.3Å; L157-G161 WeakPolarHBondContact CD1-O 3.42Å; L157-E162 WeakPolarHBondContact CD1-O 3.38Å; L157-T194 PolarHBondContact N-O 2.91Å; L157-L195 HydrophobicContact CB-CD2 3.8Å; L157-L195 HydrophobicContact CD1-CD2 3.57Å; L157-L195 HydrophobicContact CG-CD2 3.65Å; L157-G196 PolarHBondContact O-N 3.11Å
158G78.5Confident79.6Confident15 Ų1536.7 Ų36.716%0.15519%0.187CC..  trans-70.5-162.5170.700000112.6G120 L160 G196G120-G158 VanDerWaalsContact O-CA 3.28Å; G120-G158 WeakPolarHBondContact O-CA 3.14Å; G120-G158 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-N 3.12Å; G158-L160 PolarHBondContact O-N 2.86Å; G158-G196 WeakPolarHBondContact O-CA 3.37Å; G158-G196 PolarHBondContact O-N 3.1Å; G158-G196 VanDerWaalsContact O-N 3.14Å
159P74.7Confident79.2Confident57 Ų5738 Ų3837%0.3719%0.194SC..THydrogen-bonded Turntrans-61.6-40-172.3-27.638.8000116.1P197 L198 G199P159-P197 HydrophobicContact CB-CG 4.43Å; P159-L198 CarbonylContact O-C 3.4Å; P159-L198 WeakPolarHBondContact O-CA 3.47Å; P159-L198 VanDerWaalsContact O-CB 3.31Å; P159-L198 WeakPolarHBondContact O-CB 3.05Å; P159-L198 PolarHBondContact O-N 3.17Å; P159-G199 PolarHBondContact O-N 2.83Å
160L76.2Confident79Confident85 Ų8538 Ų3845%0.44519%0.194SC..EExtended strand (participates in β ladder)trans-118.248-174.5-69.6163.9000109.7P121 L122 G158 L198P121-L160 CarbonylContact O-C 3.59Å; P121-L160 WeakPolarHBondContact O-CA 3.36Å; P121-L160 WeakPolarHBondContact O-CB 3.34Å; P121-L160 PolarHBondContact O-N 2.82Å; L122-L160 HydrophobicContact CD2-CB 3.53Å; L122-L160 HydrophobicContact CD2-CD1 3.58Å; L122-L160 HydrophobicContact CD2-CG 4.18Å; L122-L160 HydrophobicContact CG-CB 4.27Å; L122-L160 HydrophobicContact CG-CD1 4.27Å; G158-L160 PolarHBondContact O-N 2.86Å; L160-L198 HydrophobicContact CD2-CB 3.65Å; L160-L198 HydrophobicContact CD2-CD1 3.5Å; L160-L198 HydrophobicContact CD2-CG 4.21Å; L160-L198 HydrophobicContact CG-CB 4.47Å; L160-L198 HydrophobicContact CG-CD1 4.35Å
161G75.1Confident79Confident0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-107.1132.2-175.800000112.6G123 L157 G199 E200G123-G161 CarbonylContact O-C 3.56Å; G123-G161 WeakPolarHBondContact O-CA 3.38Å; L157-G161 VanDerWaalsContact CD1-C 3.41Å; L157-G161 VanDerWaalsContact CD1-O 3.3Å; L157-G161 WeakPolarHBondContact CD1-O 3.42Å; G161-G199 WeakPolarHBondContact O-CA 3.16Å; G161-E200 PolarHBondContact O-N 3.18Å
162E79.8Confident78.9Confident86 Ų8636.8 Ų36.840%0.40219%0.194SC..EExtended strand (participates in β ladder)trans-103.2142.1174.9-60.8-173.6-167.200111.1G123 E124 S125 L157 E200G123-E162 PolarHBondContact O-N 2.84Å; G123-E162 VanDerWaalsContact O-N 3.14Å; E124-E162 CarbonylContact C-O 3.57Å; E124-E162 WeakPolarHBondContact CA-O 3.47Å; E124-E162 HydrophobicContact CG-CB 4.37Å; S125-E162 PolarHBondContact N-O 2.9Å; L157-E162 WeakPolarHBondContact CD1-O 3.38Å; E162-E200 WeakPolarHBondContact CA-O 3.39Å; E162-E200 HydrophobicContact CG-CB 4.37Å
163S78.7Confident79.1Confident1 Ų135 Ų351%0.00719%0.19CC..  trans-136.7106.7169.9152.10000110.6S125 R153 E200 S201 T202S125-S163 WeakPolarHBondContact O-CA 3.34Å; R153-S163 PolarHBondContact NH1-OG 2.93Å; R153-S163 PolarHBondContact NH2-OG 2.95Å; S163-E200 PolarHBondContact N-O 2.8Å; S163-S201 WeakPolarHBondContact O-CA 3.32Å; S163-S201 PolarHBondContact O-OG 2.85Å; S163-T202 PolarHBondContact O-N 2.78Å; S163-T202 VanDerWaalsContact O-O 3.04Å
164T77.2Confident79.1Confident56 Ų5633.7 Ų33.734%0.34419%0.185SC..  trans-93.7128.8165.4-560000109.3S125 T126 T127 T202S125-T164 PolarHBondContact O-N 2.92Å; T126-T164 WeakPolarHBondContact CA-O 3.38Å; T127-T164 PolarHBondContact N-O 2.89Å; T164-T202 WeakPolarHBondContact CA-O 3.46Å
165T70.2Confident79.3Confident4 Ų431.1 Ų31.13%0.02518%0.179CC..  trans-106164.8153670000107.8T127 T202 T203 P204T127-T165 HydrophobicContact CG2-CG2 4.49Å; T127-T165 WeakPolarHBondContact OG1-CA 3.46Å; T127-T165 WeakPolarHBondContact OG1-CB 3.48Å; T127-T165 VanDerWaalsContact OG1-CG2 3.23Å; T127-T165 WeakPolarHBondContact OG1-CG2 3.23Å; T165-T202 PolarHBondContact N-O 2.64Å; T165-T202 VanDerWaalsContact N-O 3.09Å; T165-T203 HydrophobicContact CG2-CG2 3.98Å; T165-T203 WeakPolarHBondContact OG1-CB 3.45Å; T165-T203 WeakPolarHBondContact OG1-CG2 2.93Å; T165-P204 WeakPolarHBondContact O-CD 3.39Å; T165-P204 VanDerWaalsContact O-CG 3.23Å; T165-P204 WeakPolarHBondContact O-CG 3.47Å
166P65.7Low79.5Confident34 Ų3431.2 Ų31.222%0.22118%0.18CC..  trans-106.4-171170.1-1539.4000110.1T127 P128 P204T127-P166 WeakPolarHBondContact O-CD 3.09Å; T127-P166 WeakPolarHBondContact O-CG 3.15Å; T127-P166 WeakPolarHBondContact OG1-CD 3.22Å; P128-P166 WeakPolarHBondContact O-CD 3.47Å; P166-P204 HydrophobicContact CB-CG 4.42Å
167G69.9Low79.6Confident26 Ų2633.7 Ų33.727%0.26819%0.187SC..  trans-61159-178.300000112G129 E130 G205G129-G167 VanDerWaalsContact CA-O 3.3Å; G129-G167 WeakPolarHBondContact CA-O 3.44Å; E130-G167 PolarHBondContact N-O 2.86Å; G167-G205 WeakPolarHBondContact CA-O 3.11Å
168E78Confident79.8Confident13 Ų1337.2 Ų37.26%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-131.7119.8168.8-56.5175.3-17000105.1E130 R149 R151 R187 R189 G205 E206 E207E130-E168 WeakPolarHBondContact O-CA 2.88Å; R149-E168 IonicContact CZ-OE2 3.4Å; R149-E168 IonicContact NH1-OE2 3.97Å; R149-E168 PolarHBondContact NH1-OE2 3.25Å; R149-E168 IonicContact NH2-OE2 3.69Å; R149-E168 PolarHBondContact NH2-OE2 2.59Å; R151-E168 IonicContact CZ-OE2 3.79Å; R151-E168 IonicContact NH1-OE1 3.14Å; R151-E168 PolarHBondContact NH1-OE1 2.84Å; R151-E168 VanDerWaalsContact NH1-OE1 3.07Å; R151-E168 IonicContact NH1-OE2 3.44Å; R151-E168 PolarHBondContact NH1-OE2 2.78Å; R151-E168 IonicContact NH2-OE2 3.08Å; E168-R187 IonicContact OE2-CZ 2.57Å; E168-R187 IonicContact OE2-NH2 3.75Å; E168-R187 PolarHBondContact OE2-NH2 3.23Å; E168-R189 IonicContact OE1-CZ 3.73Å; E168-R189 IonicContact OE1-NE 3Å; E168-R189 IonicContact OE1-NH2 2.63Å; E168-R189 PolarHBondContact OE1-NH2 2.58Å; E168-G205 PolarHBondContact N-O 2.85Å; E168-E206 HydrophobicContact CB-CG 4.39Å; E168-E206 VanDerWaalsContact O-CA 3.3Å; E168-E206 WeakPolarHBondContact O-CA 3.28Å; E168-E206 VanDerWaalsContact OE2-OE1 3.12Å; E168-E207 PolarHBondContact O-N 3.27Å
169E79.5Confident80.1Confident95 Ų9537.5 Ų37.544%0.44421%0.206SC..EExtended strand (participates in β ladder)trans-111.6128179.8-62.9-176.9-163.500108.6E130 E131 E132 E207E130-E169 PolarHBondContact O-N 2.95Å; E131-E169 WeakPolarHBondContact CA-O 3.39Å; E131-E169 HydrophobicContact CG-CB 4.34Å; E132-E169 PolarHBondContact N-O 2.94Å; E169-E207 CarbonylContact C-O 3.59Å; E169-E207 WeakPolarHBondContact CA-O 3.43Å; E169-E207 HydrophobicContact CG-CB 4.32Å
170E82.8Confident80.7Confident5 Ų537.4 Ų37.42%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-130.7124.9-179.5-43.5-155.7124.500108.9E132 R149 R151 R187 E207 E208 L209E132-E170 CarbonylContact O-C 3.55Å; E132-E170 WeakPolarHBondContact O-CA 3.44Å; R149-E170 VanDerWaalsContact CD-CD 3.42Å; R149-E170 WeakPolarHBondContact CD-OE1 3.34Å; R149-E170 VanDerWaalsContact CD-OE2 3.24Å; R149-E170 WeakPolarHBondContact CD-OE2 3.33Å; R149-E170 IonicContact CZ-OE1 2.7Å; R149-E170 IonicContact CZ-OE2 3.9Å; R149-E170 IonicContact NE-OE1 3.15Å; R149-E170 PolarHBondContact NE-OE1 2.72Å; R149-E170 IonicContact NE-OE2 3.42Å; R149-E170 IonicContact NH1-OE1 3.39Å; R149-E170 PolarHBondContact NH1-OE1 3.03Å; R149-E170 IonicContact NH1-OE2 2.79Å; R149-E170 PolarHBondContact NH1-OE2 3.35Å; R151-E170 IonicContact NH2-OE1 3.73Å; E170-R187 WeakPolarHBondContact OE2-CD 3.42Å; E170-R187 IonicContact OE2-CZ 2.58Å; E170-R187 IonicContact OE2-NE 3.55Å; E170-R187 PolarHBondContact OE2-NE 3.45Å; E170-E207 PolarHBondContact N-O 3.01Å; E170-E208 HydrophobicContact CB-CG 4.31Å; E170-E208 HydrophobicContact CG-CG 4.38Å; E170-E208 WeakPolarHBondContact O-CA 3.42Å; E170-L209 PolarHBondContact O-N 2.6Å
171L85.2Confident81.2Confident56 Ų5633.3 Ų33.329%0.29318%0.183SC..EExtended strand (participates in β ladder)trans-128.7120.6-177.6175.356.3000110.1E132 L133 V134 N173 L209E132-L171 PolarHBondContact O-N 3.31Å; L133-L171 CarbonylContact C-O 3.58Å; L133-L171 WeakPolarHBondContact CA-O 3.26Å; L133-L171 HydrophobicContact CD1-CB 3.66Å; L133-L171 HydrophobicContact CD1-CD2 3.58Å; L133-L171 HydrophobicContact CD1-CG 3.42Å; L133-L171 VanDerWaalsContact CD1-CG 3.42Å; L133-L171 WeakPolarHBondContact CD1-O 3.23Å; V134-L171 PolarHBondContact N-O 2.63Å; L171-N173 HydrophobicContact CD1-CB 4.42Å; L171-N173 HydrophobicContact CG-CB 4.44Å; L171-L209 CarbonylContact C-O 3.6Å; L171-L209 WeakPolarHBondContact CA-O 3.49Å; L171-L209 HydrophobicContact CD1-CB 3.76Å; L171-L209 HydrophobicContact CD1-CD2 3.6Å; L171-L209 HydrophobicContact CD1-CG 3.47Å; L171-L209 VanDerWaalsContact CD1-CG 3.47Å; L171-L209 WeakPolarHBondContact CD1-O 3.38Å
172V83.8Confident81.7Confident0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-108.9104166.1-178.80000107.7V134 E147 V174 E185 L209 V210 N211V134-V172 HydrophobicContact CB-CG2 4.41Å; V134-V172 WeakPolarHBondContact O-CA 3.33Å; E147-V172 HydrophobicContact CB-CG2 3.55Å; V172-V174 HydrophobicContact CG1-CG2 3.79Å; V172-E185 HydrophobicContact CG2-CB 4.13Å; V172-E185 HydrophobicContact CG2-CG 3.97Å; V172-L209 PolarHBondContact N-O 2.95Å; V172-V210 HydrophobicContact CB-CG2 4.44Å; V172-V210 WeakPolarHBondContact O-CA 3.29Å; V172-N211 PolarHBondContact O-N 3.05Å
173N88.5Confident82.1Confident35 Ų3530.5 Ų30.519%0.18717%0.172CC..EExtended strand (participates in β ladder)trans-105.5118.1175.3-171.947.3000109.8V134 N135 V136 L171 N211V134-N173 PolarHBondContact O-N 3.49Å; N135-N173 CarbonylContact C-O 3.6Å; N135-N173 WeakPolarHBondContact CA-O 3.25Å; N135-N173 PolarHBondContact OD1-ND2 2.86Å; N135-N173 PolarHBondContact OD1-O 2.59Å; V136-N173 PolarHBondContact N-O 2.83Å; L171-N173 HydrophobicContact CD1-CB 4.42Å; L171-N173 HydrophobicContact CG-CB 4.44Å; N173-N211 CarbonylContact C-O 3.57Å; N173-N211 WeakPolarHBondContact CA-O 3.42Å; N173-N211 PolarHBondContact OD1-ND2 3.17Å
174V85.8Confident82.6Confident0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-125.3117.2179.9-163.70000107.9V136 V143 V172 V181 N211 V212 T213V136-V174 HydrophobicContact CB-CG1 4.21Å; V136-V174 CarbonylContact O-C 3.59Å; V136-V174 WeakPolarHBondContact O-CA 3.17Å; V143-V174 HydrophobicContact CB-CG1 3.8Å; V143-V174 HydrophobicContact CG1-CG1 3.29Å; V172-V174 HydrophobicContact CG1-CG2 3.79Å; V174-V181 HydrophobicContact CB-CG1 3.72Å; V174-V181 HydrophobicContact CG1-CG1 3.26Å; V174-N211 PolarHBondContact N-O 3.18Å; V174-V212 HydrophobicContact CB-CG1 4.21Å; V174-V212 CarbonylContact O-C 3.58Å; V174-V212 WeakPolarHBondContact O-CA 3.37Å; V174-T213 PolarHBondContact O-N 2.86Å
175T88.4Confident83.1Confident40 Ų4030.4 Ų30.425%0.24517%0.167CC..EExtended strand (participates in β ladder)trans-126.2131-176.5-56.40000110.4V136 T137 D138 T213V136-T175 PolarHBondContact O-N 3.19Å; T137-T175 VanDerWaalsContact CA-O 3.3Å; T137-T175 WeakPolarHBondContact CA-O 3.46Å; D138-T175 PolarHBondContact N-O 3.2Å; T175-T213 VanDerWaalsContact CA-O 3.31Å; T175-T213 WeakPolarHBondContact CA-O 3.41Å
176D87.4Confident84Confident1 Ų135.9 Ų35.91%0.00519%0.19CC..  trans-127.8165.2164.2-162.1-1.2000109.2D138 Q140 G141 V143 Q178 G179 V181 T213 D214D138-D176 WeakPolarHBondContact O-CA 3.41Å; Q140-D176 PolarHBondContact N-OD1 2.97Å; G141-D176 PolarHBondContact N-OD2 3.05Å; V143-D176 HydrophobicContact CG2-CB 3.72Å; D176-Q178 PolarHBondContact OD1-N 3.12Å; D176-G179 WeakPolarHBondContact OD2-CA 3.33Å; D176-V181 HydrophobicContact CB-CG2 3.29Å; D176-T213 PolarHBondContact N-O 2.86Å; D176-D214 WeakPolarHBondContact O-CA 3.46Å
177K85.9Confident85.1Confident91 Ų9134.4 Ų34.440%0.39618%0.18SC..SBendtrans-98.5-32.7166.7-51177.1178.6179.80111.7K139 K215 Q216K139-K177 HydrophobicContact CB-CD 4.18Å; K139-K177 HydrophobicContact CG-CD 4.43Å; K139-K177 VanDerWaalsContact O-CB 3.25Å; K139-K177 WeakPolarHBondContact O-CB 3.49Å; K177-K215 HydrophobicContact CB-CD 4.12Å; K177-K215 HydrophobicContact CG-CD 4.42Å; K177-K215 VanDerWaalsContact O-CB 3.25Å; K177-K215 WeakPolarHBondContact O-CB 3.21Å; K177-Q216 PolarHBondContact O-N 2.85Å
178Q83.6Confident85.9Confident82 Ų8236.4 Ų36.438%0.38318%0.18SC..SBendtrans-154108.8-178.3-64.5-178.6-41.800110.1K139 Q140 G141 D176 D214 Q216K139-Q178 PolarHBondContact O-N 3.13Å; Q140-Q178 WeakPolarHBondContact CA-O 3.35Å; Q140-Q178 HydrophobicContact CG-CB 4.39Å; G141-Q178 PolarHBondContact N-O 3.02Å; G141-Q178 VanDerWaalsContact N-O 3.11Å; D176-Q178 PolarHBondContact OD1-N 3.12Å; Q178-D214 PolarHBondContact N-OD1 2.89Å; Q178-Q216 WeakPolarHBondContact CA-O 3.3Å; Q178-Q216 HydrophobicContact CG-CB 4.43Å
179G85.9Confident86.3Confident20 Ų2036.3 Ų36.321%0.20618%0.179CC..EExtended strand (participates in β ladder)trans162.4-137.7179.100000116.9G141 D176 D214 Q216 G217 V218G141-G179 CarbonylContact O-C 3.59Å; G141-G179 WeakPolarHBondContact O-CA 3.36Å; D176-G179 WeakPolarHBondContact OD2-CA 3.33Å; G179-D214 PolarHBondContact N-OD2 2.96Å; G179-Q216 PolarHBondContact N-O 3.17Å; G179-Q216 VanDerWaalsContact N-O 3.12Å; G179-G217 CarbonylContact O-C 3.58Å; G179-G217 WeakPolarHBondContact O-CA 3.38Å; G179-V218 PolarHBondContact O-N 2.89Å
180V86.7Confident86.6Confident55 Ų5535 Ų3533%0.33317%0.17SC..EExtended strand (participates in β ladder)trans-125.6117.9176.5-179.70000108.7G141 V142 V143 V182 V218G141-V180 PolarHBondContact O-N 2.88Å; V142-V180 CarbonylContact C-O 3.58Å; V142-V180 WeakPolarHBondContact CA-O 3.49Å; V142-V180 HydrophobicContact CG1-CB 4.34Å; V142-V180 HydrophobicContact CG2-CB 4.32Å; V143-V180 PolarHBondContact N-O 2.58Å; V180-V182 HydrophobicContact CG1-CG2 4.16Å; V180-V218 CarbonylContact C-O 3.6Å; V180-V218 WeakPolarHBondContact CA-O 3.3Å; V180-V218 HydrophobicContact CG1-CB 4.36Å; V180-V218 HydrophobicContact CG2-CB 4.33Å
181V86.2Confident86.8Confident0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-115.7121.9-174.9-162.90000109.5V143 V174 D176 V212 D214 V218 V219 V220V143-V181 HydrophobicContact CB-CG1 4.28Å; V143-V181 CarbonylContact O-C 3.56Å; V143-V181 WeakPolarHBondContact O-CA 3.42Å; V174-V181 HydrophobicContact CB-CG1 3.72Å; V174-V181 HydrophobicContact CG1-CG1 3.26Å; D176-V181 HydrophobicContact CB-CG2 3.29Å; V181-V212 HydrophobicContact CB-CG1 3.78Å; V181-V212 HydrophobicContact CG1-CG1 3.28Å; V181-D214 HydrophobicContact CG2-CB 3.71Å; V181-V218 PolarHBondContact N-O 2.91Å; V181-V219 HydrophobicContact CB-CG1 4.26Å; V181-V219 CarbonylContact O-C 3.58Å; V181-V219 WeakPolarHBondContact O-CA 3.24Å; V181-V220 PolarHBondContact O-N 2.94Å
182V87.6Confident86.8Confident27 Ų2737 Ų3716%0.16417%0.174CC..EExtended strand (participates in β ladder)trans-127.5106.3-178.7-175.50000109.8V143 V144 G145 V180 Q184 V220V143-V182 PolarHBondContact O-N 3.03Å; V144-V182 CarbonylContact C-O 3.58Å; V144-V182 WeakPolarHBondContact CA-O 3.37Å; V144-V182 HydrophobicContact CG1-CB 4.41Å; V144-V182 HydrophobicContact CG2-CB 4.33Å; G145-V182 PolarHBondContact N-O 2.95Å; V180-V182 HydrophobicContact CG1-CG2 4.16Å; V182-Q184 HydrophobicContact CG1-CG 3.94Å; V182-V220 CarbonylContact C-O 3.58Å; V182-V220 WeakPolarHBondContact CA-O 2.63Å; V182-V220 HydrophobicContact CG1-CB 4.44Å; V182-V220 HydrophobicContact CG2-CB 4.34Å
183G87.4Confident86.8Confident0 Ų037.1 Ų37.10%017%0.174CC..EExtended strand (participates in β ladder)trans-98.4126.1168.600000110.6G145 V220 G221 Q222G145-G183 CarbonylContact O-C 3.6Å; G145-G183 WeakPolarHBondContact O-CA 3.46Å; G183-V220 PolarHBondContact N-O 2.96Å; G183-G221 CarbonylContact O-C 3.57Å; G183-G221 WeakPolarHBondContact O-CA 3.38Å; G183-Q222 PolarHBondContact O-N 3.15Å
184Q88.6Confident86.6Confident52 Ų5237.3 Ų37.324%0.24318%0.176CC..EExtended strand (participates in β ladder)trans-134.1128.2174.3-58.5-172.4-0.500112.9G145 Q146 E147 V182 Q222G145-Q184 PolarHBondContact O-N 2.86Å; Q146-Q184 CarbonylContact C-O 3.6Å; Q146-Q184 VanDerWaalsContact CA-O 3.23Å; Q146-Q184 WeakPolarHBondContact CA-O 3.4Å; Q146-Q184 HydrophobicContact CG-CB 4.22Å; E147-Q184 PolarHBondContact N-O 2.87Å; V182-Q184 HydrophobicContact CG1-CG 3.94Å; Q184-Q222 CarbonylContact C-O 3.56Å; Q184-Q222 VanDerWaalsContact CA-O 3.25Å; Q184-Q222 WeakPolarHBondContact CA-O 3.12Å; Q184-Q222 HydrophobicContact CG-CB 4.22Å
185E88.5Confident86.4Confident2 Ų237.6 Ų37.61%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-121.5139.9174.4-156.7-118.1105.400110.5E147 V172 V210 Q222 E223 K224E147-E185 HydrophobicContact CB-CG 4.05Å; E147-E185 WeakPolarHBondContact OE2-CG 2.87Å; V172-E185 HydrophobicContact CG2-CB 4.13Å; V172-E185 HydrophobicContact CG2-CG 3.97Å; E185-V210 HydrophobicContact CB-CG2 3.47Å; E185-V210 VanDerWaalsContact CB-CG2 3.47Å; E185-V210 HydrophobicContact CG-CG2 4.4Å; E185-Q222 PolarHBondContact N-O 3.01Å; E185-E223 HydrophobicContact CB-CG 4.08Å; E185-E223 WeakPolarHBondContact O-CA 2.73Å; E185-K224 PolarHBondContact O-N 2.96Å
186K89.8Confident86Confident119 Ų11936.3 Ų36.352%0.51717%0.173SC..EExtended strand (participates in β ladder)trans-146.599.3-174.5-173.8-177.7-176.2170.10111.7E147 K148 R149 K224E147-K186 PolarHBondContact O-N 2.93Å; K148-K186 HydrophobicContact CG-CB 4.22Å; R149-K186 PolarHBondContact N-O 2.92Å; K186-K224 HydrophobicContact CB-CB 4.42Å; K186-K224 HydrophobicContact CG-CB 4.11Å
187R87.7Confident85.4Confident3 Ų339 Ų391%0.01119%0.19CC..EExtended strand (participates in β ladder)trans-101.8140.1-179.8-160.5175.6-174.7-125-13.9115.6R149 E168 E170 E206 E208 K224 R225 R226R149-R187 HydrophobicContact CB-CG 4.41Å; R149-R187 VanDerWaalsContact NH1-NH2 3.17Å; R149-R187 VanDerWaalsContact NH2-NH2 3.19Å; E168-R187 IonicContact OE2-CZ 2.57Å; E168-R187 IonicContact OE2-NH2 3.75Å; E168-R187 PolarHBondContact OE2-NH2 3.23Å; E170-R187 WeakPolarHBondContact OE2-CD 3.42Å; E170-R187 IonicContact OE2-CZ 2.58Å; E170-R187 IonicContact OE2-NE 3.55Å; E170-R187 PolarHBondContact OE2-NE 3.45Å; R187-E206 IonicContact CZ-OE1 3.71Å; R187-E206 IonicContact CZ-OE2 2.83Å; R187-E206 IonicContact NH1-OE1 3.97Å; R187-E206 IonicContact NH1-OE2 2.63Å; R187-E206 PolarHBondContact NH1-OE2 2.85Å; R187-E206 IonicContact NH2-OE1 3.2Å; R187-E206 PolarHBondContact NH2-OE1 3.26Å; R187-E206 IonicContact NH2-OE2 3.43Å; R187-E206 PolarHBondContact NH2-OE2 2.58Å; R187-E206 VanDerWaalsContact NH2-OE2 3.14Å; R187-E208 WeakPolarHBondContact CD-OE1 3.29Å; R187-E208 WeakPolarHBondContact CD-OE2 3.35Å; R187-E208 IonicContact CZ-OE1 2.97Å; R187-E208 IonicContact NE-OE1 3.92Å; R187-E208 IonicContact NH1-OE1 2.6Å; R187-E208 PolarHBondContact NH1-OE1 3.05Å; R187-K224 PolarHBondContact N-O 2.9Å; R187-R225 HydrophobicContact CB-CG 4.28Å; R187-R226 PolarHBondContact O-N 2.86Å
188R87Confident85Confident68 Ų6838.8 Ų38.826%0.25719%0.193SC..  trans-137.397.4172.1-173.8-177172-178.11113.1R149 R150 R151 R190 R226R149-R188 PolarHBondContact O-N 3.07Å; R150-R188 WeakPolarHBondContact CA-O 3.35Å; R150-R188 HydrophobicContact CG-CB 4.48Å; R151-R188 PolarHBondContact N-O 3.47Å; R188-R190 VanDerWaalsContact NH2-CZ 3.33Å; R188-R226 WeakPolarHBondContact CA-O 3.5Å; R188-R226 HydrophobicContact CG-CB 4.45Å
189R86.2Confident84.6Confident11 Ų1134.9 Ų34.94%0.04218%0.175CC..  trans-94.2136.4175.4-156.3176.4-168.3-158.57.7113.1E168 E206 R226 R227 R228E168-R189 IonicContact OE1-CZ 3.73Å; E168-R189 IonicContact OE1-NE 3Å; E168-R189 IonicContact OE1-NH2 2.63Å; E168-R189 PolarHBondContact OE1-NH2 2.58Å; R189-E206 IonicContact CZ-OE1 2.71Å; R189-E206 IonicContact CZ-OE2 3.03Å; R189-E206 IonicContact NE-OE1 3.94Å; R189-E206 PolarHBondContact NE-OE1 2.72Å; R189-E206 IonicContact NH1-OE1 2.94Å; R189-E206 PolarHBondContact NH1-OE1 3.42Å; R189-E206 IonicContact NH1-OE2 2.59Å; R189-E206 PolarHBondContact NH1-OE2 2.7Å; R189-E206 VanDerWaalsContact NH1-OE2 3.08Å; R189-E206 IonicContact NH2-OE1 2.7Å; R189-E206 PolarHBondContact NH2-OE1 2.79Å; R189-E206 VanDerWaalsContact NH2-OE1 3.11Å; R189-R226 PolarHBondContact N-O 2.86Å; R189-R226 VanDerWaalsContact N-O 3.17Å; R189-R227 HydrophobicContact CB-CG 4.39Å; R189-R228 PolarHBondContact O-N 3.38Å
190R86.3Confident84.3Confident69 Ų6938 Ų3826%0.2618%0.184SC..EExtended strand (participates in β ladder)trans-130.6115.5165.7-62.5-173.2170.3-174.4-7.2110.1R151 R152 R153 R188 R228R151-R190 PolarHBondContact O-N 2.98Å; R152-R190 CarbonylContact C-O 3.56Å; R152-R190 VanDerWaalsContact CA-O 3.3Å; R152-R190 WeakPolarHBondContact CA-O 2.95Å; R152-R190 HydrophobicContact CG-CB 4.25Å; R153-R190 PolarHBondContact N-O 2.92Å; R188-R190 VanDerWaalsContact NH2-CZ 3.33Å; R190-R228 CarbonylContact C-O 3.6Å; R190-R228 VanDerWaalsContact CA-O 3.31Å; R190-R228 WeakPolarHBondContact CA-O 3.49Å; R190-R228 HydrophobicContact CG-CB 4.27Å
191R85.6Confident84Confident9 Ų935.4 Ų35.43%0.03417%0.168CC..EExtended strand (participates in β ladder)trans-114.9130176.4-170.5171.8176.7-130.6-7.9109.9R153 T193 S201 T203 R228 R229 R230R153-R191 HydrophobicContact CB-CG 4.49Å; R153-R191 CarbonylContact O-C 3.57Å; R153-R191 WeakPolarHBondContact O-CA 3.37Å; R191-T193 PolarHBondContact NE-OG1 2.84Å; R191-T193 PolarHBondContact NH2-OG1 2.95Å; R191-S201 PolarHBondContact NH2-OG 2.67Å; R191-T203 PolarHBondContact NH1-OG1 3.07Å; R191-T203 VanDerWaalsContact NH2-CG2 3.29Å; R191-R228 PolarHBondContact N-O 3.37Å; R191-R229 CarbonylContact O-C 3.56Å; R191-R229 WeakPolarHBondContact O-CA 3.37Å; R191-R230 PolarHBondContact O-N 2.87Å
192R86.4Confident83.6Confident94 Ų9437.9 Ų37.936%0.35518%0.183SC..EExtended strand (participates in β ladder)trans-122.6116.2165.9-177.2178.4179.1-174-1107.6R153 R154 T155 R230R153-R192 PolarHBondContact O-N 2.85Å; R154-R192 CarbonylContact C-O 3.56Å; R154-R192 VanDerWaalsContact CA-O 3.3Å; R154-R192 WeakPolarHBondContact CA-O 3.24Å; R154-R192 HydrophobicContact CG-CB 4.48Å; T155-R192 PolarHBondContact N-O 3.46Å; R192-R230 CarbonylContact C-O 3.6Å; R192-R230 VanDerWaalsContact CA-O 3.28Å; R192-R230 WeakPolarHBondContact CA-O 3.3Å; R192-R230 HydrophobicContact CG-CB 4.47Å
193T84Confident82.7Confident1 Ų136.6 Ų36.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-115.8133.5174.7-50.60000107.7T155 R191 L195 R230 T231 T232T155-T193 WeakPolarHBondContact O-CA 3.07Å; R191-T193 PolarHBondContact NE-OG1 2.84Å; R191-T193 PolarHBondContact NH2-OG1 2.95Å; T193-L195 HydrophobicContact CG2-CD1 4.45Å; T193-L195 HydrophobicContact CG2-CD2 3.59Å; T193-L195 HydrophobicContact CG2-CG 3.84Å; T193-R230 PolarHBondContact N-O 3.47Å; T193-T231 WeakPolarHBondContact O-CA 3.24Å; T193-T232 PolarHBondContact O-N 3.01Å
194T84.8Confident81.7Confident39 Ų3938.2 Ų38.224%0.23919%0.186CC..EExtended strand (participates in β ladder)trans-129.2115.7168.9-60.70000106T155 T156 L157 T232T155-T194 PolarHBondContact O-N 2.84Å; T156-T194 VanDerWaalsContact CA-O 3.3Å; T156-T194 WeakPolarHBondContact CA-O 2.71Å; L157-T194 PolarHBondContact N-O 2.91Å; T194-T232 VanDerWaalsContact CA-O 3.32Å; T194-T232 WeakPolarHBondContact CA-O 3.16Å
195L80.4Confident80.7Confident7 Ų736.8 Ų36.84%0.03719%0.185CC..  trans-105.8147.5177.2-56.5-173.4000108.4L157 T193 G199 T232 L233 G234L157-L195 HydrophobicContact CB-CD2 3.8Å; L157-L195 HydrophobicContact CD1-CD2 3.57Å; L157-L195 HydrophobicContact CG-CD2 3.65Å; T193-L195 HydrophobicContact CG2-CD1 4.45Å; T193-L195 HydrophobicContact CG2-CD2 3.59Å; T193-L195 HydrophobicContact CG2-CG 3.84Å; L195-G199 VanDerWaalsContact CD1-O 3.22Å; L195-G199 WeakPolarHBondContact CD1-O 3.38Å; L195-T232 PolarHBondContact N-O 2.85Å; L195-L233 HydrophobicContact CB-CD2 3.84Å; L195-L233 HydrophobicContact CD1-CD2 3.42Å; L195-L233 VanDerWaalsContact CD1-CD2 3.42Å; L195-L233 HydrophobicContact CG-CD2 3.63Å; L195-G234 PolarHBondContact O-N 2.93Å
196G79.6Confident80.2Confident13 Ų1336.7 Ų36.713%0.13419%0.185CC..  trans-72.3-166.4169.700000112.1L157 G158 L198 G234L157-G196 PolarHBondContact O-N 3.11Å; G158-G196 WeakPolarHBondContact O-CA 3.37Å; G158-G196 PolarHBondContact O-N 3.1Å; G158-G196 VanDerWaalsContact O-N 3.14Å; G196-L198 PolarHBondContact O-N 2.79Å; G196-G234 WeakPolarHBondContact O-CA 3.27Å; G196-G234 PolarHBondContact O-N 2.79Å
197P75.4Confident79.7Confident56 Ų5635.6 Ų35.636%0.36418%0.182SC..THydrogen-bonded Turntrans-53.5-44.1-173.4-32.534.8000117.7P159 L236 G237P159-P197 HydrophobicContact CB-CG 4.43Å; P197-L236 CarbonylContact O-C 3.59Å; P197-L236 WeakPolarHBondContact O-CA 3.33Å; P197-L236 VanDerWaalsContact O-CB 3.31Å; P197-L236 WeakPolarHBondContact O-CB 3.39Å; P197-L236 PolarHBondContact O-N 2.88Å; P197-G237 PolarHBondContact O-N 3.11Å; P197-G237 VanDerWaalsContact O-N 3.17Å
198L76.9Confident79.4Confident87 Ų8735.6 Ų35.646%0.45518%0.182SC..THydrogen-bonded Turntrans-11829.9-173.2-68.9161.9000110.7P159 L160 G196 L236P159-L198 CarbonylContact O-C 3.4Å; P159-L198 WeakPolarHBondContact O-CA 3.47Å; P159-L198 VanDerWaalsContact O-CB 3.31Å; P159-L198 WeakPolarHBondContact O-CB 3.05Å; P159-L198 PolarHBondContact O-N 3.17Å; L160-L198 HydrophobicContact CD2-CB 3.65Å; L160-L198 HydrophobicContact CD2-CD1 3.5Å; L160-L198 HydrophobicContact CD2-CG 4.21Å; L160-L198 HydrophobicContact CG-CB 4.47Å; L160-L198 HydrophobicContact CG-CD1 4.35Å; G196-L198 PolarHBondContact O-N 2.79Å; L198-L236 HydrophobicContact CD2-CB 3.65Å; L198-L236 HydrophobicContact CD2-CD1 3.46Å; L198-L236 VanDerWaalsContact CD2-CD1 3.46Å; L198-L236 HydrophobicContact CD2-CG 4.18Å; L198-L236 HydrophobicContact CG-CB 4.44Å; L198-L236 HydrophobicContact CG-CD1 4.34Å
199G75.6Confident79.3Confident0 Ų035.1 Ų35.10%018%0.184CC..  trans-88.9134.2-17600000111.9P159 G161 L195 G237 E238P159-G199 PolarHBondContact O-N 2.83Å; G161-G199 WeakPolarHBondContact O-CA 3.16Å; L195-G199 VanDerWaalsContact CD1-O 3.22Å; L195-G199 WeakPolarHBondContact CD1-O 3.38Å; G199-G237 WeakPolarHBondContact O-CA 2.97Å; G199-E238 PolarHBondContact O-N 3.24Å
200E80.3Confident79.2Confident85 Ų8534.6 Ų34.640%0.39718%0.182SC..BIsolated β-bridgetrans-102.8146.2174.5-62.2-172.1-168.700111.5G161 E162 S163 E238G161-E200 PolarHBondContact O-N 3.18Å; E162-E200 WeakPolarHBondContact CA-O 3.39Å; E162-E200 HydrophobicContact CG-CB 4.37Å; S163-E200 PolarHBondContact N-O 2.8Å; E200-E238 HydrophobicContact CG-CB 4.36Å
201S79.6Confident79.3Confident1 Ų133 Ų331%0.00718%0.178CC..  trans-146.2111.9167.6-175.40000113.8S163 R191 E238 S239 T240S163-S201 WeakPolarHBondContact O-CA 3.32Å; S163-S201 PolarHBondContact O-OG 2.85Å; R191-S201 PolarHBondContact NH2-OG 2.67Å; S201-E238 PolarHBondContact N-O 2.71Å; S201-S239 WeakPolarHBondContact O-CA 2.97Å; S201-S239 PolarHBondContact O-OG 2.68Å; S201-T240 PolarHBondContact O-N 2.62Å; S201-T240 VanDerWaalsContact O-O 3.1Å
202T77.3Confident79.3Confident52 Ų5232.5 Ų32.532%0.31918%0.177SC..  trans-93.8130.4169.7-53.70000110.1S163 T164 T165 T240S163-T202 PolarHBondContact O-N 2.78Å; S163-T202 VanDerWaalsContact O-O 3.04Å; T164-T202 WeakPolarHBondContact CA-O 3.46Å; T165-T202 PolarHBondContact N-O 2.64Å; T165-T202 VanDerWaalsContact N-O 3.09Å; T202-T240 VanDerWaalsContact CA-O 3.28Å; T202-T240 WeakPolarHBondContact CA-O 3.07Å
203T69.7Low79.4Confident0 Ų029.9 Ų29.90%017%0.171CC..  trans-135.6112163.961.90000110.9T165 R191 T240 T241 P242T165-T203 HydrophobicContact CG2-CG2 3.98Å; T165-T203 WeakPolarHBondContact OG1-CB 3.45Å; T165-T203 WeakPolarHBondContact OG1-CG2 2.93Å; R191-T203 PolarHBondContact NH1-OG1 3.07Å; R191-T203 VanDerWaalsContact NH2-CG2 3.29Å; T203-T240 PolarHBondContact N-O 2.81Å; T203-T241 CarbonylContact O-C 3.56Å; T203-T241 WeakPolarHBondContact O-CA 3.45Å; T203-T241 WeakPolarHBondContact O-CB 3.31Å; T203-T241 WeakPolarHBondContact OG1-CB 3.46Å; T203-T241 WeakPolarHBondContact OG1-CG2 3.47Å; T203-P242 WeakPolarHBondContact O-CD 3.37Å
204P65.1Low79.6Confident35 Ų3529.9 Ų29.923%0.22717%0.171CC..  trans-77.1-171.8-172.535.4-34.6000111.7T165 P166 P242T165-P204 WeakPolarHBondContact O-CD 3.39Å; T165-P204 VanDerWaalsContact O-CG 3.23Å; T165-P204 WeakPolarHBondContact O-CG 3.47Å; P166-P204 HydrophobicContact CB-CG 4.42Å; P204-P242 VanDerWaalsContact CA-CG 3.45Å; P204-P242 HydrophobicContact CB-CB 4.22Å; P204-P242 HydrophobicContact CB-CG 3.89Å
205G68.1Low79.6Confident21 Ų2132.2 Ų32.222%0.21618%0.178CC..  trans-68.8165.6-162.400000112.6G167 E168 G243G167-G205 WeakPolarHBondContact CA-O 3.11Å; E168-G205 PolarHBondContact N-O 2.85Å; G205-G243 WeakPolarHBondContact CA-O 3.31Å
206E77.6Confident79.8Confident1 Ų135.8 Ų35.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-131.6127.7174.7-53.5-170.3130.900104.9E168 R187 R189 R225 G243 E244 E245E168-E206 HydrophobicContact CB-CG 4.39Å; E168-E206 VanDerWaalsContact O-CA 3.3Å; E168-E206 WeakPolarHBondContact O-CA 3.28Å; E168-E206 VanDerWaalsContact OE2-OE1 3.12Å; R187-E206 IonicContact CZ-OE1 3.71Å; R187-E206 IonicContact CZ-OE2 2.83Å; R187-E206 IonicContact NH1-OE1 3.97Å; R187-E206 IonicContact NH1-OE2 2.63Å; R187-E206 PolarHBondContact NH1-OE2 2.85Å; R187-E206 IonicContact NH2-OE1 3.2Å; R187-E206 PolarHBondContact NH2-OE1 3.26Å; R187-E206 IonicContact NH2-OE2 3.43Å; R187-E206 PolarHBondContact NH2-OE2 2.58Å; R187-E206 VanDerWaalsContact NH2-OE2 3.14Å; R189-E206 IonicContact CZ-OE1 2.71Å; R189-E206 IonicContact CZ-OE2 3.03Å; R189-E206 IonicContact NE-OE1 3.94Å; R189-E206 PolarHBondContact NE-OE1 2.72Å; R189-E206 IonicContact NH1-OE1 2.94Å; R189-E206 PolarHBondContact NH1-OE1 3.42Å; R189-E206 IonicContact NH1-OE2 2.59Å; R189-E206 PolarHBondContact NH1-OE2 2.7Å; R189-E206 VanDerWaalsContact NH1-OE2 3.08Å; R189-E206 IonicContact NH2-OE1 2.7Å; R189-E206 PolarHBondContact NH2-OE1 2.79Å; R189-E206 VanDerWaalsContact NH2-OE1 3.11Å; E206-R225 IonicContact OE2-CZ 3.39Å; E206-R225 IonicContact OE2-NH2 2.59Å; E206-R225 PolarHBondContact OE2-NH2 2.95Å; E206-G243 PolarHBondContact N-O 2.78Å; E206-E244 HydrophobicContact CB-CG 4.45Å; E206-E244 WeakPolarHBondContact O-CA 3.2Å; E206-E245 PolarHBondContact O-N 3.14Å
207E79.3Confident80.1Confident96 Ų9636.1 Ų36.145%0.44920%0.198SC..EExtended strand (participates in β ladder)trans-111.9120.1177.8-61.6-176.9-164.600106.9E168 E169 E170 E245E168-E207 PolarHBondContact O-N 3.27Å; E169-E207 CarbonylContact C-O 3.59Å; E169-E207 WeakPolarHBondContact CA-O 3.43Å; E169-E207 HydrophobicContact CG-CB 4.32Å; E170-E207 PolarHBondContact N-O 3.01Å; E207-E245 WeakPolarHBondContact CA-O 3.19Å; E207-E245 HydrophobicContact CG-CB 4.35Å
208E82.8Confident80.6Confident3 Ų336.1 Ų36.11%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-120.2118.2178.4-80.6161.1-117.200106.7E170 R187 R225 E245 E246 L247E170-E208 HydrophobicContact CB-CG 4.31Å; E170-E208 HydrophobicContact CG-CG 4.38Å; E170-E208 WeakPolarHBondContact O-CA 3.42Å; R187-E208 WeakPolarHBondContact CD-OE1 3.29Å; R187-E208 WeakPolarHBondContact CD-OE2 3.35Å; R187-E208 IonicContact CZ-OE1 2.97Å; R187-E208 IonicContact NE-OE1 3.92Å; R187-E208 IonicContact NH1-OE1 2.6Å; R187-E208 PolarHBondContact NH1-OE1 3.05Å; E208-R225 WeakPolarHBondContact OE1-CD 3.44Å; E208-R225 IonicContact OE1-CZ 2.83Å; E208-R225 IonicContact OE1-NE 2.73Å; E208-R225 PolarHBondContact OE1-NE 2.91Å; E208-R225 IonicContact OE1-NH2 3.93Å; E208-R225 VanDerWaalsContact OE2-CD 3.27Å; E208-R225 WeakPolarHBondContact OE2-CD 3.24Å; E208-R225 IonicContact OE2-NE 2.91Å; E208-R225 PolarHBondContact OE2-NE 2.83Å; E208-E245 PolarHBondContact N-O 3.02Å; E208-E246 HydrophobicContact CB-CG 4.12Å; E208-E246 WeakPolarHBondContact O-CA 3.26Å; E208-L247 PolarHBondContact O-N 3.14Å
209L84.9Confident81Confident58 Ų5832 Ų3230%0.30418%0.175SC..EExtended strand (participates in β ladder)trans-124.8120.8-179.1175.658.1000110.5E170 L171 V172 N211 L247E170-L209 PolarHBondContact O-N 2.6Å; L171-L209 CarbonylContact C-O 3.6Å; L171-L209 WeakPolarHBondContact CA-O 3.49Å; L171-L209 HydrophobicContact CD1-CB 3.76Å; L171-L209 HydrophobicContact CD1-CD2 3.6Å; L171-L209 HydrophobicContact CD1-CG 3.47Å; L171-L209 VanDerWaalsContact CD1-CG 3.47Å; L171-L209 WeakPolarHBondContact CD1-O 3.38Å; V172-L209 PolarHBondContact N-O 2.95Å; L209-N211 HydrophobicContact CD1-CB 4.49Å; L209-N211 HydrophobicContact CG-CB 4.48Å; L209-L247 CarbonylContact C-O 3.55Å; L209-L247 WeakPolarHBondContact CA-O 3.15Å; L209-L247 HydrophobicContact CD1-CB 3.75Å; L209-L247 HydrophobicContact CD1-CD2 3.6Å; L209-L247 HydrophobicContact CD1-CG 3.46Å; L209-L247 VanDerWaalsContact CD1-CG 3.46Å; L209-L247 WeakPolarHBondContact CD1-O 3.33Å
210V84.2Confident81.5Confident0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-109.9103.7167.2-177.40000107.8V172 E185 V212 E223 L247 V248 N249V172-V210 HydrophobicContact CB-CG2 4.44Å; V172-V210 WeakPolarHBondContact O-CA 3.29Å; E185-V210 HydrophobicContact CB-CG2 3.47Å; E185-V210 VanDerWaalsContact CB-CG2 3.47Å; E185-V210 HydrophobicContact CG-CG2 4.4Å; V210-V212 HydrophobicContact CG1-CG2 3.77Å; V210-E223 HydrophobicContact CG2-CB 4.21Å; V210-E223 HydrophobicContact CG2-CG 4.06Å; V210-L247 PolarHBondContact N-O 2.83Å; V210-V248 HydrophobicContact CB-CG1 4.49Å; V210-V248 HydrophobicContact CB-CG2 4.41Å; V210-V248 WeakPolarHBondContact O-CA 3.13Å; V210-N249 PolarHBondContact O-N 2.86Å
211N88.3Confident81.9Confident34 Ų3429.2 Ų29.218%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-104.8117.7175.4-171.247.8000109.7V172 N173 V174 L209 N249V172-N211 PolarHBondContact O-N 3.05Å; N173-N211 CarbonylContact C-O 3.57Å; N173-N211 WeakPolarHBondContact CA-O 3.42Å; N173-N211 PolarHBondContact OD1-ND2 3.17Å; V174-N211 PolarHBondContact N-O 3.18Å; L209-N211 HydrophobicContact CD1-CB 4.49Å; L209-N211 HydrophobicContact CG-CB 4.48Å; N211-N249 CarbonylContact C-O 3.56Å; N211-N249 WeakPolarHBondContact CA-O 3.41Å; N211-N249 PolarHBondContact OD1-ND2 3.03Å
212V85.4Confident82.3Confident0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-125.1115.3-179.8-1630000107.5V174 V181 V210 V219 N249 V250 T251V174-V212 HydrophobicContact CB-CG1 4.21Å; V174-V212 CarbonylContact O-C 3.58Å; V174-V212 WeakPolarHBondContact O-CA 3.37Å; V181-V212 HydrophobicContact CB-CG1 3.78Å; V181-V212 HydrophobicContact CG1-CG1 3.28Å; V210-V212 HydrophobicContact CG1-CG2 3.77Å; V212-V219 HydrophobicContact CB-CG1 3.7Å; V212-V219 HydrophobicContact CG1-CG1 3.26Å; V212-N249 PolarHBondContact N-O 3.1Å; V212-V250 HydrophobicContact CB-CG1 4.21Å; V212-V250 CarbonylContact O-C 3.57Å; V212-V250 WeakPolarHBondContact O-CA 3.23Å; V212-T251 PolarHBondContact O-N 3.46Å
213T88.5Confident82.9Confident39 Ų3928.3 Ų28.324%0.23916%0.156CC..EExtended strand (participates in β ladder)trans-124.9129.7-176.7-56.30000110.1V174 T175 D176 T251V174-T213 PolarHBondContact O-N 2.86Å; T175-T213 VanDerWaalsContact CA-O 3.31Å; T175-T213 WeakPolarHBondContact CA-O 3.41Å; D176-T213 PolarHBondContact N-O 2.86Å; T213-T251 VanDerWaalsContact CA-O 3.32Å; T213-T251 WeakPolarHBondContact CA-O 3.29Å
214D87.5Confident83.8Confident1 Ų131.7 Ų31.71%0.00517%0.171CC..  trans-126.3164.3163.5-162.60.2000108.9D176 Q178 G179 V181 Q216 G217 V219 T251 D252D176-D214 WeakPolarHBondContact O-CA 3.46Å; Q178-D214 PolarHBondContact N-OD1 2.89Å; G179-D214 PolarHBondContact N-OD2 2.96Å; V181-D214 HydrophobicContact CG2-CB 3.71Å; D214-Q216 PolarHBondContact OD1-N 2.99Å; D214-Q216 VanDerWaalsContact OD2-C 3.31Å; D214-G217 WeakPolarHBondContact OD2-CA 3.3Å; D214-G217 PolarHBondContact OD2-N 3.29Å; D214-V219 HydrophobicContact CB-CG2 3.3Å; D214-T251 PolarHBondContact N-O 3.28Å; D214-D252 WeakPolarHBondContact O-CA 3.3Å
215K85.9Confident84.9Confident88 Ų8830.3 Ų30.338%0.38316%0.161SC..SBendtrans-97.5-32.1166.3-51177.6179.9179.30111.6K177 K253 Q254K177-K215 HydrophobicContact CB-CD 4.12Å; K177-K215 HydrophobicContact CG-CD 4.42Å; K177-K215 VanDerWaalsContact O-CB 3.25Å; K177-K215 WeakPolarHBondContact O-CB 3.21Å; K215-K253 HydrophobicContact CB-CD 4.11Å; K215-K253 HydrophobicContact CB-CG 4.49Å; K215-K253 HydrophobicContact CG-CD 4.4Å; K215-K253 VanDerWaalsContact O-CB 3.24Å; K215-K253 WeakPolarHBondContact O-CB 3.4Å; K215-K253 PolarHBondContact O-N 3.1Å; K215-Q254 PolarHBondContact O-N 3.17Å
216Q83.2Confident85.8Confident81 Ų8132.5 Ų32.538%0.37916%0.163SC..SBendtrans-154108.8-177.8-64.5-178.6-38.500110.3K177 Q178 G179 D214 D252 Q254K177-Q216 PolarHBondContact O-N 2.85Å; Q178-Q216 WeakPolarHBondContact CA-O 3.3Å; Q178-Q216 HydrophobicContact CG-CB 4.43Å; G179-Q216 PolarHBondContact N-O 3.17Å; G179-Q216 VanDerWaalsContact N-O 3.12Å; D214-Q216 PolarHBondContact OD1-N 2.99Å; D214-Q216 VanDerWaalsContact OD2-C 3.31Å; Q216-D252 PolarHBondContact N-OD1 2.7Å; Q216-Q254 WeakPolarHBondContact CA-O 3.34Å; Q216-Q254 HydrophobicContact CG-CB 4.41Å
217G85.8Confident86.2Confident21 Ų2132.9 Ų32.922%0.21616%0.164CC..EExtended strand (participates in β ladder)trans160.5-134176.800000116.6G179 D214 D252 Q254 G255 V256G179-G217 CarbonylContact O-C 3.58Å; G179-G217 WeakPolarHBondContact O-CA 3.38Å; D214-G217 WeakPolarHBondContact OD2-CA 3.3Å; D214-G217 PolarHBondContact OD2-N 3.29Å; G217-D252 PolarHBondContact N-OD2 3.29Å; G217-Q254 PolarHBondContact N-O 2.92Å; G217-Q254 VanDerWaalsContact N-O 3.12Å; G217-G255 CarbonylContact O-C 3.56Å; G217-G255 WeakPolarHBondContact O-CA 3.37Å; G217-V256 PolarHBondContact O-N 3.27Å
218V86.2Confident86.5Confident56 Ų5631.6 Ų31.634%0.33916%0.155SC..EExtended strand (participates in β ladder)trans-126.4118.4177.8-179.30000109G179 V180 V181 V220 V256G179-V218 PolarHBondContact O-N 2.89Å; V180-V218 CarbonylContact C-O 3.6Å; V180-V218 WeakPolarHBondContact CA-O 3.3Å; V180-V218 HydrophobicContact CG1-CB 4.36Å; V180-V218 HydrophobicContact CG2-CB 4.33Å; V181-V218 PolarHBondContact N-O 2.91Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V218-V256 CarbonylContact C-O 3.56Å; V218-V256 WeakPolarHBondContact CA-O 2.85Å; V218-V256 HydrophobicContact CG1-CB 4.38Å; V218-V256 HydrophobicContact CG2-CB 4.34Å
219V86Confident86.7Confident0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-116.7122.1-174.6-162.20000109.4V181 V212 D214 V250 D252 V256 V257 V258V181-V219 HydrophobicContact CB-CG1 4.26Å; V181-V219 CarbonylContact O-C 3.58Å; V181-V219 WeakPolarHBondContact O-CA 3.24Å; V212-V219 HydrophobicContact CB-CG1 3.7Å; V212-V219 HydrophobicContact CG1-CG1 3.26Å; D214-V219 HydrophobicContact CB-CG2 3.3Å; V219-V250 HydrophobicContact CB-CG1 3.75Å; V219-V250 HydrophobicContact CG1-CG1 3.27Å; V219-D252 HydrophobicContact CG2-CB 3.72Å; V219-V256 PolarHBondContact N-O 2.91Å; V219-V257 HydrophobicContact CB-CG1 4.24Å; V219-V257 CarbonylContact O-C 3.58Å; V219-V257 WeakPolarHBondContact O-CA 3.43Å; V219-V258 PolarHBondContact O-N 2.92Å
220V87.1Confident86.7Confident27 Ų2733.7 Ų33.716%0.16416%0.159CC..EExtended strand (participates in β ladder)trans-127.4107.3-178.7-175.10000109.8V181 V182 G183 V218 Q222 V258V181-V220 PolarHBondContact O-N 2.94Å; V182-V220 CarbonylContact C-O 3.58Å; V182-V220 WeakPolarHBondContact CA-O 2.63Å; V182-V220 HydrophobicContact CG1-CB 4.44Å; V182-V220 HydrophobicContact CG2-CB 4.34Å; G183-V220 PolarHBondContact N-O 2.96Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V220-Q222 HydrophobicContact CG1-CG 3.94Å; V220-V258 CarbonylContact C-O 3.58Å; V220-V258 WeakPolarHBondContact CA-O 3.08Å; V220-V258 HydrophobicContact CG1-CB 4.43Å; V220-V258 HydrophobicContact CG2-CB 4.33Å
221G87.4Confident86.7Confident0 Ų033.8 Ų33.80%016%0.16CC..EExtended strand (participates in β ladder)trans-99.3126.4168.800000110.6G183 V258 G259 Q260G183-G221 CarbonylContact O-C 3.57Å; G183-G221 WeakPolarHBondContact O-CA 3.38Å; G221-V258 PolarHBondContact N-O 2.94Å; G221-G259 CarbonylContact O-C 3.58Å; G221-G259 WeakPolarHBondContact O-CA 3.15Å; G221-Q260 PolarHBondContact O-N 2.86Å
222Q88.6Confident86.6Confident32 Ų3234 Ų3415%0.1516%0.162CC..EExtended strand (participates in β ladder)trans-134.2130.7173.9-55.9-169.9-1.300113.2G183 Q184 E185 V220 Q260G183-Q222 PolarHBondContact O-N 3.15Å; Q184-Q222 CarbonylContact C-O 3.56Å; Q184-Q222 VanDerWaalsContact CA-O 3.25Å; Q184-Q222 WeakPolarHBondContact CA-O 3.12Å; Q184-Q222 HydrophobicContact CG-CB 4.22Å; E185-Q222 PolarHBondContact N-O 3.01Å; V220-Q222 HydrophobicContact CG1-CG 3.94Å; Q222-Q260 CarbonylContact C-O 3.58Å; Q222-Q260 VanDerWaalsContact CA-O 3.23Å; Q222-Q260 WeakPolarHBondContact CA-O 3.01Å; Q222-Q260 HydrophobicContact CG-CB 4.19Å
223E88.6Confident86.3Confident1 Ų134.3 Ų34.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-124.1136175.1-156.9-127.3107.200110.9E185 V210 V248 Q260 E261 K262E185-E223 HydrophobicContact CB-CG 4.08Å; E185-E223 WeakPolarHBondContact O-CA 2.73Å; V210-E223 HydrophobicContact CG2-CB 4.21Å; V210-E223 HydrophobicContact CG2-CG 4.06Å; E223-V248 HydrophobicContact CB-CG2 3.49Å; E223-V248 VanDerWaalsContact CB-CG2 3.49Å; E223-V248 HydrophobicContact CG-CG2 4.41Å; E223-Q260 PolarHBondContact N-O 2.9Å; E223-E261 HydrophobicContact CB-CG 4.05Å; E223-K262 PolarHBondContact O-N 3.12Å
224K90Very high85.9Confident72 Ų7233.1 Ų33.131%0.31316%0.159SC..  trans-138.786.1-170.8-75.6179.5-176.1125.80111.8E185 K186 R187 K262E185-K224 PolarHBondContact O-N 2.96Å; K186-K224 HydrophobicContact CB-CB 4.42Å; K186-K224 HydrophobicContact CG-CB 4.11Å; R187-K224 PolarHBondContact N-O 2.9Å; K224-K262 HydrophobicContact CG-CB 4.26Å
225R87.3Confident85.4Confident5 Ų535.8 Ų35.82%0.01918%0.176CC..  trans-94.4137.8-179.1-163.6173.6-171.1-122.1-9115.9R187 E206 E208 E244 E246 K262 R263 R264R187-R225 HydrophobicContact CB-CG 4.28Å; E206-R225 IonicContact OE2-CZ 3.39Å; E206-R225 IonicContact OE2-NH2 2.59Å; E206-R225 PolarHBondContact OE2-NH2 2.95Å; E208-R225 WeakPolarHBondContact OE1-CD 3.44Å; E208-R225 IonicContact OE1-CZ 2.83Å; E208-R225 IonicContact OE1-NE 2.73Å; E208-R225 PolarHBondContact OE1-NE 2.91Å; E208-R225 IonicContact OE1-NH2 3.93Å; E208-R225 VanDerWaalsContact OE2-CD 3.27Å; E208-R225 WeakPolarHBondContact OE2-CD 3.24Å; E208-R225 IonicContact OE2-NE 2.91Å; E208-R225 PolarHBondContact OE2-NE 2.83Å; R225-E244 IonicContact CZ-OE1 2.78Å; R225-E244 IonicContact CZ-OE2 2.62Å; R225-E244 IonicContact NH1-OE1 3.08Å; R225-E244 IonicContact NH1-OE2 2.64Å; R225-E244 PolarHBondContact NH1-OE2 2.99Å; R225-E244 IonicContact NH2-OE1 3.89Å; R225-E244 PolarHBondContact NH2-OE1 2.7Å; R225-E244 IonicContact NH2-OE2 3.62Å; R225-E244 PolarHBondContact NH2-OE2 2.91Å; R225-E246 WeakPolarHBondContact CD-OE1 3.39Å; R225-E246 WeakPolarHBondContact CD-OE2 3.3Å; R225-E246 IonicContact CZ-OE1 3.18Å; R225-E246 IonicContact NE-OE1 2.67Å; R225-E246 IonicContact NH1-OE1 2.79Å; R225-E246 PolarHBondContact NH1-OE1 3.18Å; R225-K262 PolarHBondContact N-O 3.26Å; R225-R263 HydrophobicContact CB-CG 4.29Å; R225-R263 VanDerWaalsContact NH1-CZ 3.33Å; R225-R264 PolarHBondContact O-N 2.93Å
226R87.6Confident85Confident68 Ų6835.6 Ų35.626%0.25718%0.179SC..  trans-137.1100.1172.7-174.1-176.5173.6-177.32.5113.3R187 R188 R189 R228 R264R187-R226 PolarHBondContact O-N 2.86Å; R188-R226 WeakPolarHBondContact CA-O 3.5Å; R188-R226 HydrophobicContact CG-CB 4.45Å; R189-R226 PolarHBondContact N-O 2.86Å; R189-R226 VanDerWaalsContact N-O 3.17Å; R226-R228 VanDerWaalsContact NH2-CZ 3.34Å; R226-R264 WeakPolarHBondContact CA-O 3.44Å; R226-R264 HydrophobicContact CG-CB 4.43Å
227R85.9Confident84.7Confident8 Ų831.8 Ų31.83%0.0316%0.161CC..  trans-97.6136.6176.5-164173.2-171-155.98.3113.2R189 E244 R264 R265 R266 E282R189-R227 HydrophobicContact CB-CG 4.39Å; R227-E244 IonicContact CZ-OE1 3.07Å; R227-E244 IonicContact CZ-OE2 2.68Å; R227-E244 IonicContact NE-OE1 3.46Å; R227-E244 PolarHBondContact NE-OE1 2.94Å; R227-E244 IonicContact NH1-OE1 3.49Å; R227-E244 PolarHBondContact NH1-OE1 3.2Å; R227-E244 IonicContact NH1-OE2 2.71Å; R227-E244 PolarHBondContact NH1-OE2 2.88Å; R227-E244 IonicContact NH2-OE1 3.64Å; R227-E244 PolarHBondContact NH2-OE1 2.57Å; R227-E244 VanDerWaalsContact NH2-OE1 3.07Å; R227-R264 PolarHBondContact N-O 2.88Å; R227-R264 VanDerWaalsContact N-O 3.1Å; R227-R265 HydrophobicContact CB-CG 4.31Å; R227-R266 PolarHBondContact O-N 2.91Å; R227-E282 IonicContact NH1-OE1 3.62Å
228R86.4Confident84.5Confident70 Ų7034.6 Ų34.626%0.26417%0.169SC..EExtended strand (participates in β ladder)trans-130.9115.8166-62.2-172.4170.5-175.2-7.9110.1R189 R190 R191 R226 R266R189-R228 PolarHBondContact O-N 3.38Å; R190-R228 CarbonylContact C-O 3.6Å; R190-R228 VanDerWaalsContact CA-O 3.31Å; R190-R228 WeakPolarHBondContact CA-O 3.49Å; R190-R228 HydrophobicContact CG-CB 4.27Å; R191-R228 PolarHBondContact N-O 3.37Å; R226-R228 VanDerWaalsContact NH2-CZ 3.34Å; R228-R266 CarbonylContact C-O 3.58Å; R228-R266 VanDerWaalsContact CA-O 3.3Å; R228-R266 WeakPolarHBondContact CA-O 3.32Å; R228-R266 HydrophobicContact CG-CB 4.26Å
229R85.3Confident84.2Confident8 Ų832 Ų323%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-114.7129.7176.3-170.5171.9176.1-138.6-8109.6R191 T231 S239 T241 R266 R267 R268R191-R229 CarbonylContact O-C 3.56Å; R191-R229 WeakPolarHBondContact O-CA 3.37Å; R229-T231 PolarHBondContact NE-OG1 3Å; R229-T231 PolarHBondContact NH2-OG1 3.02Å; R229-S239 PolarHBondContact NH2-OG 2.91Å; R229-T241 PolarHBondContact NH1-OG1 3.07Å; R229-R266 PolarHBondContact N-O 2.98Å; R229-R267 HydrophobicContact CB-CG 4.46Å; R229-R267 CarbonylContact O-C 3.56Å; R229-R267 WeakPolarHBondContact O-CA 3.28Å; R229-R268 PolarHBondContact O-N 3.05Å
230R86.5Confident83.8Confident97 Ų9734.5 Ų34.537%0.36617%0.168SC..EExtended strand (participates in β ladder)trans-122.2117166.1-176.8177.3179.8-178-1107.6R191 R192 T193 R268R191-R230 PolarHBondContact O-N 2.87Å; R192-R230 CarbonylContact C-O 3.6Å; R192-R230 VanDerWaalsContact CA-O 3.28Å; R192-R230 WeakPolarHBondContact CA-O 3.3Å; R192-R230 HydrophobicContact CG-CB 4.47Å; T193-R230 PolarHBondContact N-O 3.47Å; R230-R268 CarbonylContact C-O 3.56Å; R230-R268 VanDerWaalsContact CA-O 3.27Å; R230-R268 WeakPolarHBondContact CA-O 3.19Å; R230-R268 HydrophobicContact CG-CB 4.46Å
231T84Confident83Confident2 Ų233.2 Ų33.21%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-116.8133.9175.4-51.60000107.8T193 R229 L233 R268 T269 T270T193-T231 WeakPolarHBondContact O-CA 3.24Å; R229-T231 PolarHBondContact NE-OG1 3Å; R229-T231 PolarHBondContact NH2-OG1 3.02Å; T231-L233 HydrophobicContact CG2-CD1 4.44Å; T231-L233 HydrophobicContact CG2-CD2 3.49Å; T231-L233 VanDerWaalsContact CG2-CD2 3.49Å; T231-L233 HydrophobicContact CG2-CG 3.81Å; T231-R268 PolarHBondContact N-O 3.12Å; T231-T269 WeakPolarHBondContact O-CA 3.23Å; T231-T270 PolarHBondContact O-N 2.97Å
232T85Confident82Confident38 Ų3835.3 Ų35.323%0.23317%0.174CC..EExtended strand (participates in β ladder)trans-127.9115.2168.2-60.70000105.9T193 T194 L195 T270T193-T232 PolarHBondContact O-N 3.01Å; T194-T232 VanDerWaalsContact CA-O 3.32Å; T194-T232 WeakPolarHBondContact CA-O 3.16Å; L195-T232 PolarHBondContact N-O 2.85Å; T232-T270 VanDerWaalsContact CA-O 3.32Å; T232-T270 WeakPolarHBondContact CA-O 3.33Å
233L80.2Confident81Confident7 Ų735 Ų354%0.03718%0.179CC..  trans-103146.7177.2-56.5-171.1000108.4L195 T231 G237 T270 L271 G272L195-L233 HydrophobicContact CB-CD2 3.84Å; L195-L233 HydrophobicContact CD1-CD2 3.42Å; L195-L233 VanDerWaalsContact CD1-CD2 3.42Å; L195-L233 HydrophobicContact CG-CD2 3.63Å; T231-L233 HydrophobicContact CG2-CD1 4.44Å; T231-L233 HydrophobicContact CG2-CD2 3.49Å; T231-L233 VanDerWaalsContact CG2-CD2 3.49Å; T231-L233 HydrophobicContact CG2-CG 3.81Å; L233-G237 WeakPolarHBondContact CD1-O 3.08Å; L233-T270 PolarHBondContact N-O 3.47Å; L233-L271 HydrophobicContact CB-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CD2 3.4Å; L233-L271 HydrophobicContact CG-CD2 3.58Å; L233-G272 PolarHBondContact O-N 2.63Å
234G80.1Confident80.4Confident13 Ų1335 Ų3513%0.13418%0.179CC..  trans-71-169.116900000111.8L195 G196 L236 G237 G272L195-G234 PolarHBondContact O-N 2.93Å; G196-G234 WeakPolarHBondContact O-CA 3.27Å; G196-G234 PolarHBondContact O-N 2.79Å; G234-L236 PolarHBondContact O-N 2.92Å; G234-G237 PolarHBondContact O-N 2.59Å; G234-G272 PolarHBondContact O-N 2.7Å
235P75.9Confident79.9Confident57 Ų5736.2 Ų36.237%0.3719%0.186SC..THydrogen-bonded Turntrans-54.2-41.5-175.2-32.236.6000116.9L274 G275P235-L274 CarbonylContact O-C 3.12Å; P235-L274 WeakPolarHBondContact O-CA 3.44Å; P235-L274 VanDerWaalsContact O-CB 3.26Å; P235-L274 WeakPolarHBondContact O-CB 3.41Å; P235-L274 PolarHBondContact O-N 2.74Å; P235-G275 PolarHBondContact O-N 2.59Å
236L77.5Confident79.6Confident85 Ų8536.1 Ų36.145%0.44519%0.186SC..THydrogen-bonded Turntrans-119.624.8-174.6-69.2162.7000111.2P197 L198 G234 L274P197-L236 CarbonylContact O-C 3.59Å; P197-L236 WeakPolarHBondContact O-CA 3.33Å; P197-L236 VanDerWaalsContact O-CB 3.31Å; P197-L236 WeakPolarHBondContact O-CB 3.39Å; P197-L236 PolarHBondContact O-N 2.88Å; L198-L236 HydrophobicContact CD2-CB 3.65Å; L198-L236 HydrophobicContact CD2-CD1 3.46Å; L198-L236 VanDerWaalsContact CD2-CD1 3.46Å; L198-L236 HydrophobicContact CD2-CG 4.18Å; L198-L236 HydrophobicContact CG-CB 4.44Å; L198-L236 HydrophobicContact CG-CD1 4.34Å; G234-L236 PolarHBondContact O-N 2.92Å; L236-L274 HydrophobicContact CD2-CB 3.65Å; L236-L274 HydrophobicContact CD2-CD1 3.51Å; L236-L274 HydrophobicContact CD2-CG 4.21Å; L236-L274 HydrophobicContact CG-CB 4.43Å; L236-L274 HydrophobicContact CG-CD1 4.35Å
237G77.3Confident79.4Confident0 Ų035.4 Ų35.40%019%0.187CC..  trans-83133.9-176.300000111.2P197 G199 L233 G234 G275 E276P197-G237 PolarHBondContact O-N 3.11Å; P197-G237 VanDerWaalsContact O-N 3.17Å; G199-G237 WeakPolarHBondContact O-CA 2.97Å; L233-G237 WeakPolarHBondContact CD1-O 3.08Å; G234-G237 PolarHBondContact O-N 2.59Å; G237-G275 VanDerWaalsContact O-CA 3.31Å; G237-G275 WeakPolarHBondContact O-CA 3.33Å; G237-E276 PolarHBondContact O-N 3.25Å
238E81.2Confident79.3Confident81 Ų8135 Ų3538%0.37919%0.185SC..EExtended strand (participates in β ladder)trans-102.8147.1174.5-62.6-170.7-169.300111.6G199 E200 S201 E276G199-E238 PolarHBondContact O-N 3.24Å; E200-E238 HydrophobicContact CG-CB 4.36Å; S201-E238 PolarHBondContact N-O 2.71Å; E238-E276 HydrophobicContact CG-CB 4.38Å
239S79.9Confident79.4Confident1 Ų133.5 Ų33.51%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-146.6109.8167.8-172.40000113.3S201 R229 E276 S277 T278S201-S239 WeakPolarHBondContact O-CA 2.97Å; S201-S239 PolarHBondContact O-OG 2.68Å; R229-S239 PolarHBondContact NH2-OG 2.91Å; S239-E276 PolarHBondContact N-O 2.64Å; S239-S277 WeakPolarHBondContact O-CA 3.42Å; S239-T278 PolarHBondContact O-N 3.09Å; S239-T278 VanDerWaalsContact O-N 3.14Å
240T77.5Confident79.3Confident52 Ų5233.1 Ų33.132%0.31918%0.181SC..EExtended strand (participates in β ladder)trans-96.9134171.7-53.30000109.2S201 T202 T203 T278S201-T240 PolarHBondContact O-N 2.62Å; S201-T240 VanDerWaalsContact O-O 3.1Å; T202-T240 VanDerWaalsContact CA-O 3.28Å; T202-T240 WeakPolarHBondContact CA-O 3.07Å; T203-T240 PolarHBondContact N-O 2.81Å; T240-T278 CarbonylContact C-O 3.58Å; T240-T278 WeakPolarHBondContact CA-O 3.43Å
241T70.3Confident79.4Confident1 Ų130.4 Ų30.41%0.00618%0.175CC..  trans-135.1105.4168.163.40000110.6T203 R229 T278 T279 P280T203-T241 CarbonylContact O-C 3.56Å; T203-T241 WeakPolarHBondContact O-CA 3.45Å; T203-T241 WeakPolarHBondContact O-CB 3.31Å; T203-T241 WeakPolarHBondContact OG1-CB 3.46Å; T203-T241 WeakPolarHBondContact OG1-CG2 3.47Å; R229-T241 PolarHBondContact NH1-OG1 3.07Å; T241-T278 PolarHBondContact N-O 2.76Å; T241-T279 WeakPolarHBondContact OG1-CG2 3.44Å; T241-P280 VanDerWaalsContact C-CD 3.49Å; T241-P280 WeakPolarHBondContact O-CD 3.36Å
242P66.8Low79.5Confident44 Ų4430.4 Ų30.429%0.28618%0.175SC..  trans-49174.2177.3-33.831.3000117.4T203 P204 P280T203-P242 WeakPolarHBondContact O-CD 3.37Å; P204-P242 VanDerWaalsContact CA-CG 3.45Å; P204-P242 HydrophobicContact CB-CB 4.22Å; P204-P242 HydrophobicContact CB-CG 3.89Å; P242-P280 HydrophobicContact CB-CG 4.42Å
243G68.1Low79.5Confident24 Ų2432.8 Ų32.825%0.24718%0.182CC..  trans-69.1161.4-169.100000112.1G205 E206 G281G205-G243 WeakPolarHBondContact CA-O 3.31Å; E206-G243 PolarHBondContact N-O 2.78Å; G243-G281 WeakPolarHBondContact CA-O 3.4Å
244E76.5Confident79.6Confident1 Ų136.4 Ų36.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-125.2129.5176.4-57.3-175.1140.600106.4E206 R225 R227 R263 G281 E282 E283E206-E244 HydrophobicContact CB-CG 4.45Å; E206-E244 WeakPolarHBondContact O-CA 3.2Å; R225-E244 IonicContact CZ-OE1 2.78Å; R225-E244 IonicContact CZ-OE2 2.62Å; R225-E244 IonicContact NH1-OE1 3.08Å; R225-E244 IonicContact NH1-OE2 2.64Å; R225-E244 PolarHBondContact NH1-OE2 2.99Å; R225-E244 IonicContact NH2-OE1 3.89Å; R225-E244 PolarHBondContact NH2-OE1 2.7Å; R225-E244 IonicContact NH2-OE2 3.62Å; R225-E244 PolarHBondContact NH2-OE2 2.91Å; R227-E244 IonicContact CZ-OE1 3.07Å; R227-E244 IonicContact CZ-OE2 2.68Å; R227-E244 IonicContact NE-OE1 3.46Å; R227-E244 PolarHBondContact NE-OE1 2.94Å; R227-E244 IonicContact NH1-OE1 3.49Å; R227-E244 PolarHBondContact NH1-OE1 3.2Å; R227-E244 IonicContact NH1-OE2 2.71Å; R227-E244 PolarHBondContact NH1-OE2 2.88Å; R227-E244 IonicContact NH2-OE1 3.64Å; R227-E244 PolarHBondContact NH2-OE1 2.57Å; R227-E244 VanDerWaalsContact NH2-OE1 3.07Å; E244-R263 IonicContact OE2-CZ 3.68Å; E244-R263 IonicContact OE2-NH2 2.91Å; E244-R263 PolarHBondContact OE2-NH2 2.89Å; E244-G281 PolarHBondContact N-O 2.6Å; E244-E282 HydrophobicContact CB-CG 4.37Å; E244-E282 CarbonylContact O-C 3.6Å; E244-E282 VanDerWaalsContact O-CA 3.32Å; E244-E282 WeakPolarHBondContact O-CA 3.39Å; E244-E283 PolarHBondContact O-N 2.71Å
245E78.3Confident79.7Confident99 Ų9936.7 Ų36.746%0.46320%0.202SC..EExtended strand (participates in β ladder)trans-112121.2178.5-61.4-176.3-16500107.5E206 E207 E208 E283E206-E245 PolarHBondContact O-N 3.14Å; E207-E245 WeakPolarHBondContact CA-O 3.19Å; E207-E245 HydrophobicContact CG-CB 4.35Å; E208-E245 PolarHBondContact N-O 3.02Å; E245-E283 WeakPolarHBondContact CA-O 3.15Å; E245-E283 HydrophobicContact CG-CB 4.36Å
246E81.2Confident80.2Confident3 Ų336.7 Ų36.71%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-120.9116.3178.3-81.2158.5-119.600106.4E208 R225 R263 E283 E284 L285E208-E246 HydrophobicContact CB-CG 4.12Å; E208-E246 WeakPolarHBondContact O-CA 3.26Å; R225-E246 WeakPolarHBondContact CD-OE1 3.39Å; R225-E246 WeakPolarHBondContact CD-OE2 3.3Å; R225-E246 IonicContact CZ-OE1 3.18Å; R225-E246 IonicContact NE-OE1 2.67Å; R225-E246 IonicContact NH1-OE1 2.79Å; R225-E246 PolarHBondContact NH1-OE1 3.18Å; E246-R263 IonicContact OE1-CZ 3.82Å; E246-R263 IonicContact OE1-NE 2.83Å; E246-R263 PolarHBondContact OE1-NE 3.24Å; E246-R263 IonicContact OE1-NH1 3.65Å; E246-R263 IonicContact OE1-NH2 3.72Å; E246-R263 VanDerWaalsContact OE2-CD 3.22Å; E246-R263 WeakPolarHBondContact OE2-CD 3.21Å; E246-R263 IonicContact OE2-NE 3.59Å; E246-R263 PolarHBondContact OE2-NE 3.08Å; E246-E283 PolarHBondContact N-O 3.05Å; E246-E284 HydrophobicContact CB-CG 4.06Å; E246-E284 WeakPolarHBondContact O-CA 3.42Å; E246-L285 PolarHBondContact O-N 2.74Å
247L84.6Confident80.5Confident52 Ų5232.6 Ų32.627%0.27218%0.18SC..EExtended strand (participates in β ladder)trans-124.2120.6-179.3174.257.6000110.4E208 L209 V210 N249 L285E208-L247 PolarHBondContact O-N 3.14Å; L209-L247 CarbonylContact C-O 3.55Å; L209-L247 WeakPolarHBondContact CA-O 3.15Å; L209-L247 HydrophobicContact CD1-CB 3.75Å; L209-L247 HydrophobicContact CD1-CD2 3.6Å; L209-L247 HydrophobicContact CD1-CG 3.46Å; L209-L247 VanDerWaalsContact CD1-CG 3.46Å; L209-L247 WeakPolarHBondContact CD1-O 3.33Å; V210-L247 PolarHBondContact N-O 2.83Å; L247-N249 HydrophobicContact CD1-CB 4.41Å; L247-N249 HydrophobicContact CG-CB 4.42Å; L247-L285 WeakPolarHBondContact CA-O 3.32Å; L247-L285 HydrophobicContact CD1-CB 3.75Å; L247-L285 HydrophobicContact CD1-CD2 3.74Å; L247-L285 HydrophobicContact CD1-CG 3.57Å; L247-L285 WeakPolarHBondContact CD1-O 3.33Å
248V83.2Confident80.9Confident0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-108104.8165.9-177.60000107.7V210 E223 V250 E261 L285 V286 N287V210-V248 HydrophobicContact CB-CG1 4.49Å; V210-V248 HydrophobicContact CB-CG2 4.41Å; V210-V248 WeakPolarHBondContact O-CA 3.13Å; E223-V248 HydrophobicContact CB-CG2 3.49Å; E223-V248 VanDerWaalsContact CB-CG2 3.49Å; E223-V248 HydrophobicContact CG-CG2 4.41Å; V248-V250 HydrophobicContact CG1-CG2 3.72Å; V248-E261 HydrophobicContact CG2-CB 4.18Å; V248-E261 HydrophobicContact CG2-CG 4.04Å; V248-L285 PolarHBondContact N-O 3.22Å; V248-V286 HydrophobicContact CB-CG1 4.48Å; V248-V286 HydrophobicContact CB-CG2 4.47Å; V248-N287 PolarHBondContact O-N 3.14Å
249N88Confident81.1Confident39 Ų3930 Ų3021%0.20917%0.169CC..EExtended strand (participates in β ladder)trans-104.8117174.8-17240.8000109.8V210 N211 V212 L247 N287V210-N249 PolarHBondContact O-N 2.86Å; N211-N249 CarbonylContact C-O 3.56Å; N211-N249 WeakPolarHBondContact CA-O 3.41Å; N211-N249 PolarHBondContact OD1-ND2 3.03Å; V212-N249 PolarHBondContact N-O 3.1Å; L247-N249 HydrophobicContact CD1-CB 4.41Å; L247-N249 HydrophobicContact CG-CB 4.42Å; N249-N287 CarbonylContact C-O 3.59Å; N249-N287 WeakPolarHBondContact CA-O 3.35Å
250V84.2Confident81.5Confident0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-124.2113.9-179.7-162.20000107.3V212 V219 V248 V257 N287 V288 T289V212-V250 HydrophobicContact CB-CG1 4.21Å; V212-V250 CarbonylContact O-C 3.57Å; V212-V250 WeakPolarHBondContact O-CA 3.23Å; V219-V250 HydrophobicContact CB-CG1 3.75Å; V219-V250 HydrophobicContact CG1-CG1 3.27Å; V248-V250 HydrophobicContact CG1-CG2 3.72Å; V250-V257 HydrophobicContact CB-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.26Å; V250-N287 PolarHBondContact N-O 2.92Å; V250-V288 HydrophobicContact CB-CG1 4.21Å; V250-V288 WeakPolarHBondContact O-CA 2.93Å; V250-T289 PolarHBondContact O-N 2.86Å
251T87.7Confident81.9Confident40 Ų4030.4 Ų30.425%0.24517%0.167CC..EExtended strand (participates in β ladder)trans-123.4129.2-176.9-57.40000110V212 T213 D214 T289V212-T251 PolarHBondContact O-N 3.46Å; T213-T251 VanDerWaalsContact CA-O 3.32Å; T213-T251 WeakPolarHBondContact CA-O 3.29Å; D214-T251 PolarHBondContact N-O 3.28Å; T251-T289 WeakPolarHBondContact CA-O 3.29Å
252D86.5Confident82.8Confident1 Ų135.5 Ų35.51%0.00519%0.189CC..  trans-126.3163.2163.8-162.5-0.2000109D214 Q216 G217 V219 Q254 G255 V257 T289 D290D214-D252 WeakPolarHBondContact O-CA 3.3Å; Q216-D252 PolarHBondContact N-OD1 2.7Å; G217-D252 PolarHBondContact N-OD2 3.29Å; V219-D252 HydrophobicContact CG2-CB 3.72Å; D252-Q254 PolarHBondContact OD1-N 2.87Å; D252-Q254 VanDerWaalsContact OD2-C 3.31Å; D252-G255 WeakPolarHBondContact OD2-CA 3.49Å; D252-G255 PolarHBondContact OD2-N 2.93Å; D252-V257 HydrophobicContact CB-CG2 3.3Å; D252-T289 PolarHBondContact N-O 3.25Å; D252-D290 WeakPolarHBondContact O-CA 3.46Å
253K84.5Confident83.7Confident89 Ų8933.6 Ų33.639%0.38718%0.176SC..SBendtrans-97.6-32166.5-50.6178.1-180-1800111.6K215 K291 Q292K215-K253 HydrophobicContact CB-CD 4.11Å; K215-K253 HydrophobicContact CB-CG 4.49Å; K215-K253 HydrophobicContact CG-CD 4.4Å; K215-K253 VanDerWaalsContact O-CB 3.24Å; K215-K253 WeakPolarHBondContact O-CB 3.4Å; K215-K253 PolarHBondContact O-N 3.1Å; K253-K291 HydrophobicContact CB-CD 4.15Å; K253-K291 HydrophobicContact CG-CD 4.44Å; K253-K291 VanDerWaalsContact O-CB 3.26Å; K253-K291 WeakPolarHBondContact O-CB 3.41Å; K253-Q292 PolarHBondContact O-N 2.89Å
254Q81.6Confident84.5Confident82 Ų8235.6 Ų35.638%0.38318%0.177SC..SBendtrans-154.4106.9-177.5-63.5-179-39.800110.3K215 Q216 G217 D252 D290 Q292K215-Q254 PolarHBondContact O-N 3.17Å; Q216-Q254 WeakPolarHBondContact CA-O 3.34Å; Q216-Q254 HydrophobicContact CG-CB 4.41Å; G217-Q254 PolarHBondContact N-O 2.92Å; G217-Q254 VanDerWaalsContact N-O 3.12Å; D252-Q254 PolarHBondContact OD1-N 2.87Å; D252-Q254 VanDerWaalsContact OD2-C 3.31Å; Q254-D290 PolarHBondContact N-OD1 3.41Å; Q254-Q292 WeakPolarHBondContact CA-O 2.93Å; Q254-Q292 HydrophobicContact CG-CB 4.35Å
255G84.2Confident84.9Confident20 Ų2036.5 Ų36.521%0.20618%0.18CC..EExtended strand (participates in β ladder)trans162.3-138.4178.700000116.8G217 D252 D290 Q292 G293 V294G217-G255 CarbonylContact O-C 3.56Å; G217-G255 WeakPolarHBondContact O-CA 3.37Å; D252-G255 WeakPolarHBondContact OD2-CA 3.49Å; D252-G255 PolarHBondContact OD2-N 2.93Å; G255-D290 PolarHBondContact N-OD2 3.49Å; G255-Q292 PolarHBondContact N-O 3.35Å; G255-Q292 VanDerWaalsContact N-O 3.14Å; G255-G293 CarbonylContact O-C 3.59Å; G255-G293 WeakPolarHBondContact O-CA 3.01Å; G255-V294 PolarHBondContact O-N 3.41Å
256V85Confident85.2Confident56 Ų5635.1 Ų35.134%0.33917%0.17SC..EExtended strand (participates in β ladder)trans-123.6119177.1-179.10000109.1G217 V218 V219 V258 V294G217-V256 PolarHBondContact O-N 3.27Å; V218-V256 CarbonylContact C-O 3.56Å; V218-V256 WeakPolarHBondContact CA-O 2.85Å; V218-V256 HydrophobicContact CG1-CB 4.38Å; V218-V256 HydrophobicContact CG2-CB 4.34Å; V219-V256 PolarHBondContact N-O 2.91Å; V256-V258 HydrophobicContact CG1-CG2 4.17Å; V256-V294 CarbonylContact C-O 3.56Å; V256-V294 WeakPolarHBondContact CA-O 3.34Å; V256-V294 HydrophobicContact CG1-CB 4.45Å; V256-V294 HydrophobicContact CG2-CB 4.39Å
257V84.3Confident85.3Confident0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-117121.5-174.2-161.60000109.4V219 V250 D252 V288 D290 V294 V295 V296V219-V257 HydrophobicContact CB-CG1 4.24Å; V219-V257 CarbonylContact O-C 3.58Å; V219-V257 WeakPolarHBondContact O-CA 3.43Å; V250-V257 HydrophobicContact CB-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.26Å; D252-V257 HydrophobicContact CB-CG2 3.3Å; V257-V288 HydrophobicContact CB-CG1 3.71Å; V257-V288 HydrophobicContact CG1-CG1 3.25Å; V257-D290 HydrophobicContact CG2-CB 3.73Å; V257-V294 PolarHBondContact N-O 2.89Å; V257-V295 HydrophobicContact CB-CG1 4.27Å; V257-V295 CarbonylContact O-C 3.57Å; V257-V295 WeakPolarHBondContact O-CA 3.34Å; V257-V296 PolarHBondContact O-N 3.06Å
258V85.4Confident85.4Confident26 Ų2637.7 Ų37.716%0.15818%0.176CC..EExtended strand (participates in β ladder)trans-126.4108.5-178.8-1750000109.9V219 V220 G221 V256 Q260 V296V219-V258 PolarHBondContact O-N 2.92Å; V220-V258 CarbonylContact C-O 3.58Å; V220-V258 WeakPolarHBondContact CA-O 3.08Å; V220-V258 HydrophobicContact CG1-CB 4.43Å; V220-V258 HydrophobicContact CG2-CB 4.33Å; G221-V258 PolarHBondContact N-O 2.94Å; V256-V258 HydrophobicContact CG1-CG2 4.17Å; V258-Q260 HydrophobicContact CG1-CG 3.99Å; V258-V296 CarbonylContact C-O 3.58Å; V258-V296 WeakPolarHBondContact CA-O 3.38Å; V258-V296 HydrophobicContact CG1-CB 4.44Å; V258-V296 HydrophobicContact CG2-CB 4.34Å
259G85.8Confident85.3Confident0 Ų037.7 Ų37.70%018%0.177CC..EExtended strand (participates in β ladder)trans-100.4126.7169.200000110.6G221 V296 G297 Q298G221-G259 CarbonylContact O-C 3.58Å; G221-G259 WeakPolarHBondContact O-CA 3.15Å; G259-V296 PolarHBondContact N-O 3.43Å; G259-G297 CarbonylContact O-C 3.58Å; G259-G297 WeakPolarHBondContact O-CA 3.48Å; G259-Q298 PolarHBondContact O-N 2.92Å
260Q87.4Confident85.1Confident59 Ų5937.7 Ų37.728%0.27618%0.178SC..EExtended strand (participates in β ladder)trans-133.2130.1173.7-58.4-171.6-4.700112.6G221 Q222 E223 V258 Q298G221-Q260 PolarHBondContact O-N 2.86Å; Q222-Q260 CarbonylContact C-O 3.58Å; Q222-Q260 VanDerWaalsContact CA-O 3.23Å; Q222-Q260 WeakPolarHBondContact CA-O 3.01Å; Q222-Q260 HydrophobicContact CG-CB 4.19Å; E223-Q260 PolarHBondContact N-O 2.9Å; V258-Q260 HydrophobicContact CG1-CG 3.99Å; Q260-Q298 CarbonylContact C-O 3.58Å; Q260-Q298 VanDerWaalsContact CA-O 3.26Å; Q260-Q298 WeakPolarHBondContact CA-O 2.84Å; Q260-Q298 HydrophobicContact CG-CB 4.25Å
261E86.8Confident84.9Confident3 Ų338 Ų381%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-126.7139.3175.6-158.9-111.6102.100110.4E223 V248 V286 Q298 E299 K300E223-E261 HydrophobicContact CB-CG 4.05Å; V248-E261 HydrophobicContact CG2-CB 4.18Å; V248-E261 HydrophobicContact CG2-CG 4.04Å; E261-V286 HydrophobicContact CB-CG2 3.45Å; E261-V286 VanDerWaalsContact CB-CG2 3.45Å; E261-V286 HydrophobicContact CG-CG2 4.33Å; E261-Q298 PolarHBondContact N-O 3.17Å; E261-E299 HydrophobicContact CB-CG 4.26Å; E261-E299 WeakPolarHBondContact O-CA 3.49Å; E261-K300 PolarHBondContact O-N 2.98Å
262K88.1Confident84.5Confident108 Ų10836.8 Ų36.847%0.4718%0.175SC..  trans-145.494.1-173-172.9-178.4-176.5168.60112.1E223 K224 R225 K300E223-K262 PolarHBondContact O-N 3.12Å; K224-K262 HydrophobicContact CG-CB 4.26Å; R225-K262 PolarHBondContact N-O 3.26Å; K262-K300 WeakPolarHBondContact CA-O 2.8Å; K262-K300 HydrophobicContact CG-CB 4.31Å
263R86.2Confident83.8Confident3 Ų339.4 Ų39.41%0.01119%0.192CC..  trans-94138.2177.1-155.7173.5-169.8-142.5-32.6116.2R225 E244 E246 E282 E284 K300 R301 R302 R303R225-R263 HydrophobicContact CB-CG 4.29Å; R225-R263 VanDerWaalsContact NH1-CZ 3.33Å; E244-R263 IonicContact OE2-CZ 3.68Å; E244-R263 IonicContact OE2-NH2 2.91Å; E244-R263 PolarHBondContact OE2-NH2 2.89Å; E246-R263 IonicContact OE1-CZ 3.82Å; E246-R263 IonicContact OE1-NE 2.83Å; E246-R263 PolarHBondContact OE1-NE 3.24Å; E246-R263 IonicContact OE1-NH1 3.65Å; E246-R263 IonicContact OE1-NH2 3.72Å; E246-R263 VanDerWaalsContact OE2-CD 3.22Å; E246-R263 WeakPolarHBondContact OE2-CD 3.21Å; E246-R263 IonicContact OE2-NE 3.59Å; E246-R263 PolarHBondContact OE2-NE 3.08Å; R263-E282 IonicContact CZ-OE1 3.24Å; R263-E282 IonicContact CZ-OE2 2.72Å; R263-E282 VanDerWaalsContact NH1-CD 3.26Å; R263-E282 IonicContact NH1-OE1 3.46Å; R263-E282 IonicContact NH1-OE2 2.87Å; R263-E282 PolarHBondContact NH1-OE2 3.33Å; R263-E282 IonicContact NH2-OE1 2.59Å; R263-E282 PolarHBondContact NH2-OE1 3.16Å; R263-E282 IonicContact NH2-OE2 3.07Å; R263-E282 PolarHBondContact NH2-OE2 2.91Å; R263-E284 WeakPolarHBondContact CB-OE2 3.3Å; R263-E284 WeakPolarHBondContact CD-OE1 3.4Å; R263-E284 WeakPolarHBondContact CD-OE2 3.25Å; R263-E284 IonicContact CZ-OE1 3.82Å; R263-E284 IonicContact NE-OE1 3.45Å; R263-E284 PolarHBondContact NE-OE1 2.99Å; R263-E284 IonicContact NH1-OE1 2.94Å; R263-E284 PolarHBondContact NH1-OE1 3.03Å; R263-K300 PolarHBondContact N-O 2.94Å; R263-R301 WeakPolarHBondContact O-CA 3.37Å; R263-R302 PolarHBondContact O-N 3.32Å; R263-R303 VanDerWaalsContact NH1-CZ 3.31Å
264R85.9Confident83.4Confident67 Ų6739.1 Ų39.125%0.25319%0.194SC..EExtended strand (participates in β ladder)trans-135.6103.1168.6-174.7-176.1174.1-177.43.6113.3R225 R226 R227 R266 R302R225-R264 PolarHBondContact O-N 2.93Å; R226-R264 WeakPolarHBondContact CA-O 3.44Å; R226-R264 HydrophobicContact CG-CB 4.43Å; R227-R264 PolarHBondContact N-O 2.88Å; R227-R264 VanDerWaalsContact N-O 3.1Å; R264-R266 VanDerWaalsContact NH2-CZ 3.29Å; R264-R302 WeakPolarHBondContact CA-O 3.43Å; R264-R302 HydrophobicContact CG-CB 4.46Å
265R84.5Confident83.2Confident20 Ų2035.2 Ų35.28%0.07518%0.176CC..EExtended strand (participates in β ladder)trans-98.9138.7175.7-158.8171.9-173.8-150.94.3113R227 E282 R302 R303 R304R227-R265 HydrophobicContact CB-CG 4.31Å; R265-E282 IonicContact CZ-OE1 3.37Å; R265-E282 IonicContact CZ-OE2 2.81Å; R265-E282 IonicContact NE-OE1 3.11Å; R265-E282 PolarHBondContact NE-OE1 2.64Å; R265-E282 IonicContact NE-OE2 2.71Å; R265-E282 IonicContact NH1-OE1 2.71Å; R265-E282 PolarHBondContact NH1-OE1 2.69Å; R265-E282 IonicContact NH1-OE2 3.69Å; R265-E282 PolarHBondContact NH1-OE2 3.28Å; R265-E282 IonicContact NH2-OE1 2.7Å; R265-E282 PolarHBondContact NH2-OE1 2.89Å; R265-E282 VanDerWaalsContact NH2-OE1 3.1Å; R265-R302 PolarHBondContact N-O 3.39Å; R265-R302 VanDerWaalsContact N-O 3.12Å; R265-R303 HydrophobicContact CB-CB 4.38Å; R265-R303 HydrophobicContact CB-CG 3.91Å; R265-R304 PolarHBondContact O-N 3Å
266R84.7Confident83Confident69 Ų6938.1 Ų38.126%0.2618%0.184SC..EExtended strand (participates in β ladder)trans-132.1116.2164.6-62.2-171.9169.9-175.1-8.7109.9R227 R228 R229 R264 R304R227-R266 PolarHBondContact O-N 2.91Å; R228-R266 CarbonylContact C-O 3.58Å; R228-R266 VanDerWaalsContact CA-O 3.3Å; R228-R266 WeakPolarHBondContact CA-O 3.32Å; R228-R266 HydrophobicContact CG-CB 4.26Å; R229-R266 PolarHBondContact N-O 2.98Å; R264-R266 VanDerWaalsContact NH2-CZ 3.29Å; R266-R304 CarbonylContact C-O 3.6Å; R266-R304 VanDerWaalsContact CA-O 3.31Å; R266-R304 WeakPolarHBondContact CA-O 3.39Å; R266-R304 HydrophobicContact CG-CB 4.29Å
267R83.7Confident82.7Confident12 Ų1235.6 Ų35.65%0.04517%0.169CC..EExtended strand (participates in β ladder)trans-113.9129.9175.4-170.1170.9173.9-144.6-5.1109.4R229 T269 S277 T279 R304 R305 R306R229-R267 HydrophobicContact CB-CG 4.46Å; R229-R267 CarbonylContact O-C 3.56Å; R229-R267 WeakPolarHBondContact O-CA 3.28Å; R267-T269 PolarHBondContact NE-OG1 3.22Å; R267-S277 PolarHBondContact NH2-OG 3.07Å; R267-T279 PolarHBondContact NH1-OG1 2.58Å; R267-R304 PolarHBondContact N-O 3.03Å; R267-R305 WeakPolarHBondContact O-CA 3.42Å; R267-R306 PolarHBondContact O-N 2.79Å
268R84.9Confident82.3Confident97 Ų9738 Ų3837%0.36618%0.183SC..EExtended strand (participates in β ladder)trans-121.8116.8165.7-175.6176.9-179.7-173.9-0.8107.6R229 R230 T231 R306R229-R268 PolarHBondContact O-N 3.05Å; R230-R268 CarbonylContact C-O 3.56Å; R230-R268 VanDerWaalsContact CA-O 3.27Å; R230-R268 WeakPolarHBondContact CA-O 3.19Å; R230-R268 HydrophobicContact CG-CB 4.46Å; T231-R268 PolarHBondContact N-O 3.12Å; R268-R306 CarbonylContact C-O 3.6Å; R268-R306 VanDerWaalsContact CA-O 3.26Å; R268-R306 WeakPolarHBondContact CA-O 3.08Å; R268-R306 HydrophobicContact CG-CB 4.47Å
269T83.1Confident81.5Confident1 Ų137 Ų371%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-116.3135175.3-520000107.7T231 R267 L271 R306 T307 T308T231-T269 WeakPolarHBondContact O-CA 3.23Å; R267-T269 PolarHBondContact NE-OG1 3.22Å; T269-L271 HydrophobicContact CG2-CD1 4.42Å; T269-L271 HydrophobicContact CG2-CD2 3.44Å; T269-L271 VanDerWaalsContact CG2-CD2 3.44Å; T269-L271 HydrophobicContact CG2-CG 3.78Å; T269-R306 PolarHBondContact N-O 3.26Å; T269-T307 WeakPolarHBondContact O-CA 3.22Å; T269-T308 PolarHBondContact O-N 3.19Å
270T83.8Confident80.4Confident39 Ų3939 Ų3924%0.23919%0.191CC..EExtended strand (participates in β ladder)trans-127116167.2-60.50000105.8T231 T232 L233 T308T231-T270 PolarHBondContact O-N 2.97Å; T232-T270 VanDerWaalsContact CA-O 3.32Å; T232-T270 WeakPolarHBondContact CA-O 3.33Å; L233-T270 PolarHBondContact N-O 3.47Å; T270-T308 WeakPolarHBondContact CA-O 3.19Å
271L79.3Confident79.3Confident7 Ų737.3 Ų37.34%0.03719%0.188CC..  trans-102.8145.5177.3-56.6-172.1000108.5L233 T269 G275 T308 L309 G310 E314L233-L271 HydrophobicContact CB-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CD2 3.4Å; L233-L271 HydrophobicContact CG-CD2 3.58Å; T269-L271 HydrophobicContact CG2-CD1 4.42Å; T269-L271 HydrophobicContact CG2-CD2 3.44Å; T269-L271 VanDerWaalsContact CG2-CD2 3.44Å; T269-L271 HydrophobicContact CG2-CG 3.78Å; L271-G275 WeakPolarHBondContact CD1-O 3.48Å; L271-T308 PolarHBondContact N-O 3Å; L271-L309 HydrophobicContact CB-CD2 3.95Å; L271-L309 HydrophobicContact CD1-CD2 3.38Å; L271-L309 HydrophobicContact CG-CD2 3.7Å; L271-G310 PolarHBondContact O-N 3.48Å; L271-E314 WeakPolarHBondContact CD1-O 3.33Å
272G78.4Confident78.7Confident13 Ų1337.3 Ų37.313%0.13419%0.189CC..  trans-71.4-171.4168.500000111.8L233 G234 L274 G275 G310L233-G272 PolarHBondContact O-N 2.63Å; G234-G272 PolarHBondContact O-N 2.7Å; G272-L274 PolarHBondContact O-N 2.68Å; G272-G275 PolarHBondContact O-N 2.83Å; G272-G310 PolarHBondContact O-N 2.92Å
273P73.4Confident78Confident56 Ų5636.8 Ų36.836%0.36419%0.188SC..THydrogen-bonded Turntrans-47.5-45.7-178.1-34.536.6000116.6P311 L312 G313P273-P311 HydrophobicContact CB-CG 4.02Å; P273-P311 HydrophobicContact CG-CG 4.43Å; P273-L312 CarbonylContact O-C 3.57Å; P273-L312 WeakPolarHBondContact O-CA 3.2Å; P273-L312 VanDerWaalsContact O-CB 3.25Å; P273-L312 WeakPolarHBondContact O-CB 3.4Å; P273-L312 PolarHBondContact O-N 2.73Å; P273-G313 PolarHBondContact O-N 2.72Å
274L75.3Confident77.6Confident84 Ų8436.8 Ų36.844%0.4419%0.188SC..THydrogen-bonded Turntrans-121.222.9-174.1-66.8162.7000111.2P235 L236 G272 L312P235-L274 CarbonylContact O-C 3.12Å; P235-L274 WeakPolarHBondContact O-CA 3.44Å; P235-L274 VanDerWaalsContact O-CB 3.26Å; P235-L274 WeakPolarHBondContact O-CB 3.41Å; P235-L274 PolarHBondContact O-N 2.74Å; L236-L274 HydrophobicContact CD2-CB 3.65Å; L236-L274 HydrophobicContact CD2-CD1 3.51Å; L236-L274 HydrophobicContact CD2-CG 4.21Å; L236-L274 HydrophobicContact CG-CB 4.43Å; L236-L274 HydrophobicContact CG-CD1 4.35Å; G272-L274 PolarHBondContact O-N 2.68Å; L274-L312 HydrophobicContact CD2-CB 3.64Å; L274-L312 HydrophobicContact CD2-CD1 3.54Å; L274-L312 HydrophobicContact CD2-CG 4.23Å; L274-L312 HydrophobicContact CG-CB 4.46Å; L274-L312 HydrophobicContact CG-CD1 4.44Å
275G76.4Confident77.3Confident0 Ų035.8 Ų35.80%019%0.187CC..  trans-79.9133.9-176.200000110.7P235 G237 L271 G272 G313 E314P235-G275 PolarHBondContact O-N 2.59Å; G237-G275 VanDerWaalsContact O-CA 3.31Å; G237-G275 WeakPolarHBondContact O-CA 3.33Å; L271-G275 WeakPolarHBondContact CD1-O 3.48Å; G272-G275 PolarHBondContact O-N 2.83Å; G275-G313 WeakPolarHBondContact O-CA 3.44Å; G275-E314 PolarHBondContact O-N 3.43Å
276E79.8Confident77.1Confident81 Ų8134.8 Ų34.838%0.37918%0.184SC..EExtended strand (participates in β ladder)trans-104.5146.6175.9-61.7-168.2-172.200111.7G237 E238 S239 E314G237-E276 PolarHBondContact O-N 3.25Å; E238-E276 HydrophobicContact CG-CB 4.38Å; S239-E276 PolarHBondContact N-O 2.64Å; E276-E314 HydrophobicContact CG-CB 4.36Å
277S78.8Confident77.1Confident2 Ų233.2 Ų33.21%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-144.1115.9168.678.50000113.1S239 R267 E314 S315 T316S239-S277 WeakPolarHBondContact O-CA 3.42Å; R267-S277 PolarHBondContact NH2-OG 3.07Å; S277-E314 PolarHBondContact N-O 2.82Å; S277-S315 WeakPolarHBondContact O-CA 3.26Å; S277-T316 PolarHBondContact O-N 2.75Å
278T76.3Confident77Confident50 Ų5032.6 Ų32.631%0.30718%0.178SC..EExtended strand (participates in β ladder)trans-105.4129.7175-59.50000109.7S239 T240 T241 T316S239-T278 PolarHBondContact O-N 3.09Å; S239-T278 VanDerWaalsContact O-N 3.14Å; T240-T278 CarbonylContact C-O 3.58Å; T240-T278 WeakPolarHBondContact CA-O 3.43Å; T241-T278 PolarHBondContact N-O 2.76Å; T278-T316 WeakPolarHBondContact CA-O 3.49Å
279T68.7Low77Confident5 Ų530.2 Ų30.23%0.03117%0.174CC..  trans-134.3109.1167.464.20000109.2T241 R267 T316 T317 P318T241-T279 WeakPolarHBondContact OG1-CG2 3.44Å; R267-T279 PolarHBondContact NH1-OG1 2.58Å; T279-T316 PolarHBondContact N-O 3.06Å; T279-T316 VanDerWaalsContact N-O 3.11Å; T279-T317 WeakPolarHBondContact O-CA 3.13Å; T279-T317 WeakPolarHBondContact OG1-CG2 3.19Å; T279-P318 WeakPolarHBondContact O-CD 3.42Å
280P62.9Low77.1Confident44 Ų4430.2 Ų30.229%0.28617%0.174SC..  trans-70-174.2-178.328.2-15.6000111.9T241 P242 P318T241-P280 VanDerWaalsContact C-CD 3.49Å; T241-P280 WeakPolarHBondContact O-CD 3.36Å; P242-P280 HydrophobicContact CB-CG 4.42Å; P280-P318 HydrophobicContact CB-CG 4.21Å
281G65.3Low77Confident22 Ų2232.8 Ų32.823%0.22718%0.182CC..  trans-63.8159.1-16800000112.9G243 E244 G319G243-G281 WeakPolarHBondContact CA-O 3.4Å; E244-G281 PolarHBondContact N-O 2.6Å; G281-G319 WeakPolarHBondContact CA-O 3.3Å
282E72.7Confident77Confident4 Ų436.4 Ų36.42%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-125.2127.4173.5-60.4178.9137.500104.5R227 E244 R263 R265 R303 E321R227-E282 IonicContact NH1-OE1 3.62Å; E244-E282 HydrophobicContact CB-CG 4.37Å; E244-E282 CarbonylContact O-C 3.6Å; E244-E282 VanDerWaalsContact O-CA 3.32Å; E244-E282 WeakPolarHBondContact O-CA 3.39Å; R263-E282 IonicContact CZ-OE1 3.24Å; R263-E282 IonicContact CZ-OE2 2.72Å; R263-E282 VanDerWaalsContact NH1-CD 3.26Å; R263-E282 IonicContact NH1-OE1 3.46Å; R263-E282 IonicContact NH1-OE2 2.87Å; R263-E282 PolarHBondContact NH1-OE2 3.33Å; R263-E282 IonicContact NH2-OE1 2.59Å; R263-E282 PolarHBondContact NH2-OE1 3.16Å; R263-E282 IonicContact NH2-OE2 3.07Å; R263-E282 PolarHBondContact NH2-OE2 2.91Å; R265-E282 IonicContact CZ-OE1 3.37Å; R265-E282 IonicContact CZ-OE2 2.81Å; R265-E282 IonicContact NE-OE1 3.11Å; R265-E282 PolarHBondContact NE-OE1 2.64Å; R265-E282 IonicContact NE-OE2 2.71Å; R265-E282 IonicContact NH1-OE1 2.71Å; R265-E282 PolarHBondContact NH1-OE1 2.69Å; R265-E282 IonicContact NH1-OE2 3.69Å; R265-E282 PolarHBondContact NH1-OE2 3.28Å; R265-E282 IonicContact NH2-OE1 2.7Å; R265-E282 PolarHBondContact NH2-OE1 2.89Å; R265-E282 VanDerWaalsContact NH2-OE1 3.1Å; E282-R303 IonicContact OE2-CZ 3.61Å; E282-R303 IonicContact OE2-NE 3.7Å; E282-R303 PolarHBondContact OE2-NE 2.94Å; E282-R303 IonicContact OE2-NH1 2.81Å; E282-R303 PolarHBondContact OE2-NH1 3.34Å; E282-R303 IonicContact OE2-NH2 3.26Å; E282-R303 PolarHBondContact OE2-NH2 2.75Å; E282-E321 PolarHBondContact O-N 3Å
283E74.7Confident77.1Confident97 Ų9736.7 Ų36.745%0.45320%0.202SC..EExtended strand (participates in β ladder)trans-108120.8179.2-60.3-173.9-168.800107.4E244 E245 E246 E321E244-E283 PolarHBondContact O-N 2.71Å; E245-E283 WeakPolarHBondContact CA-O 3.15Å; E245-E283 HydrophobicContact CG-CB 4.36Å; E246-E283 PolarHBondContact N-O 3.05Å; E283-E321 WeakPolarHBondContact CA-O 3.31Å; E283-E321 HydrophobicContact CG-CB 4.35Å
284E77.5Confident77.5Confident2 Ų236.7 Ų36.71%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-118.2119.3176.4-85.2160.2-116.700106.8E246 R263 R301 R303 E321 E322 L323E246-E284 HydrophobicContact CB-CG 4.06Å; E246-E284 WeakPolarHBondContact O-CA 3.42Å; R263-E284 WeakPolarHBondContact CB-OE2 3.3Å; R263-E284 WeakPolarHBondContact CD-OE1 3.4Å; R263-E284 WeakPolarHBondContact CD-OE2 3.25Å; R263-E284 IonicContact CZ-OE1 3.82Å; R263-E284 IonicContact NE-OE1 3.45Å; R263-E284 PolarHBondContact NE-OE1 2.99Å; R263-E284 IonicContact NH1-OE1 2.94Å; R263-E284 PolarHBondContact NH1-OE1 3.03Å; E284-R301 IonicContact OE1-NE 3.11Å; E284-R303 IonicContact OE1-CZ 3.12Å; E284-R303 IonicContact OE1-NE 3.17Å; E284-R303 IonicContact OE1-NH2 3.95Å; E284-R303 PolarHBondContact OE1-NH2 3.36Å; E284-E321 PolarHBondContact N-O 3.27Å; E284-E322 HydrophobicContact CB-CG 4.27Å; E284-E322 WeakPolarHBondContact O-CA 3.45Å; E284-L323 PolarHBondContact O-N 3.37Å
285L79.8Confident77.8Confident46 Ų4632.7 Ų32.724%0.24118%0.18CC..EExtended strand (participates in β ladder)trans-126.9119.9-177-177.758.4000110.3E246 L247 V248 N287 L323E246-L285 PolarHBondContact O-N 2.74Å; L247-L285 WeakPolarHBondContact CA-O 3.32Å; L247-L285 HydrophobicContact CD1-CB 3.75Å; L247-L285 HydrophobicContact CD1-CD2 3.74Å; L247-L285 HydrophobicContact CD1-CG 3.57Å; L247-L285 WeakPolarHBondContact CD1-O 3.33Å; V248-L285 PolarHBondContact N-O 3.22Å; L285-N287 WeakPolarHBondContact CD1-OD1 3.41Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.41Å; L285-L323 WeakPolarHBondContact CA-O 3.13Å; L285-L323 HydrophobicContact CD1-CB 3.61Å; L285-L323 HydrophobicContact CD1-CD2 3.51Å; L285-L323 HydrophobicContact CD1-CG 3.51Å; L285-L323 WeakPolarHBondContact CD1-O 3.27Å
286V79.9Confident78.1Confident0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-111.4102.4169.5-176.50000107.9V248 E261 V288 E299 L323 V324 N325V248-V286 HydrophobicContact CB-CG1 4.48Å; V248-V286 HydrophobicContact CB-CG2 4.47Å; E261-V286 HydrophobicContact CB-CG2 3.45Å; E261-V286 VanDerWaalsContact CB-CG2 3.45Å; E261-V286 HydrophobicContact CG-CG2 4.33Å; V286-V288 HydrophobicContact CG1-CG2 3.75Å; V286-E299 HydrophobicContact CG2-CB 4.49Å; V286-E299 HydrophobicContact CG2-CG 4.37Å; V286-L323 PolarHBondContact N-O 3.24Å; V286-V324 HydrophobicContact CB-CG1 4.46Å; V286-V324 HydrophobicContact CB-CG2 4.44Å; V286-N325 PolarHBondContact O-N 3.25Å
287N84.8Confident78.3Confident35 Ų3530.1 Ų30.119%0.18717%0.169CC..EExtended strand (participates in β ladder)trans-100.9115.4176-77.1-14.6000109.2V248 N249 V250 L285 N325V248-N287 PolarHBondContact O-N 3.14Å; N249-N287 CarbonylContact C-O 3.59Å; N249-N287 WeakPolarHBondContact CA-O 3.35Å; V250-N287 PolarHBondContact N-O 2.92Å; L285-N287 WeakPolarHBondContact CD1-OD1 3.41Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.41Å; N287-N325 WeakPolarHBondContact CA-O 3.23Å; N287-N325 WeakPolarHBondContact OD1-CB 3.5Å
288V81.6Confident78.6Confident0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-123.5112177.5-160.70000107V250 V257 V286 V295 N325 V326 T327V250-V288 HydrophobicContact CB-CG1 4.21Å; V250-V288 WeakPolarHBondContact O-CA 2.93Å; V257-V288 HydrophobicContact CB-CG1 3.71Å; V257-V288 HydrophobicContact CG1-CG1 3.25Å; V286-V288 HydrophobicContact CG1-CG2 3.75Å; V288-V295 HydrophobicContact CB-CG1 3.63Å; V288-V295 HydrophobicContact CG1-CG1 3.23Å; V288-N325 PolarHBondContact N-O 3.27Å; V288-V326 HydrophobicContact CB-CG1 4.23Å; V288-V326 WeakPolarHBondContact O-CA 3.18Å; V288-T327 PolarHBondContact O-N 2.85Å
289T84.6Confident78.9Confident47 Ų4730.9 Ų30.929%0.28817%0.169SC..EExtended strand (participates in β ladder)trans-121.7127.8-177.3-55.30000109.8V250 T251 D252 T327V250-T289 PolarHBondContact O-N 2.86Å; T251-T289 WeakPolarHBondContact CA-O 3.29Å; D252-T289 PolarHBondContact N-O 3.25Å; T289-T327 WeakPolarHBondContact CA-O 3.38Å
290D84.5Confident79.7Confident1 Ų136 Ų361%0.00519%0.191CC..  trans-126.1160.6164.3-164.74000109D252 Q254 G255 V257 Q292 G293 V295 T327 D328D252-D290 WeakPolarHBondContact O-CA 3.46Å; Q254-D290 PolarHBondContact N-OD1 3.41Å; G255-D290 PolarHBondContact N-OD2 3.49Å; V257-D290 HydrophobicContact CG2-CB 3.73Å; D290-Q292 PolarHBondContact OD1-N 2.87Å; D290-G293 WeakPolarHBondContact OD2-CA 2.99Å; D290-G293 PolarHBondContact OD2-N 2.8Å; D290-V295 HydrophobicContact CB-CG2 3.32Å; D290-T327 PolarHBondContact N-O 3.23Å; D290-D328 WeakPolarHBondContact O-CA 3.4Å
291K81.8Confident80.7Confident93 Ų9334.1 Ų34.140%0.40418%0.178SC..SBendtrans-96.9-31.8167.5-50.9178.4-179.9-178.90111.3K253 K329 Q330K253-K291 HydrophobicContact CB-CD 4.15Å; K253-K291 HydrophobicContact CG-CD 4.44Å; K253-K291 VanDerWaalsContact O-CB 3.26Å; K253-K291 WeakPolarHBondContact O-CB 3.41Å; K291-K329 HydrophobicContact CB-CD 4.31Å; K291-K329 VanDerWaalsContact O-CB 3.31Å; K291-K329 WeakPolarHBondContact O-CB 3.34Å; K291-Q330 PolarHBondContact O-N 2.89Å
292Q78.9Confident81.6Confident82 Ų8236.4 Ų36.438%0.38318%0.18SC..SBendtrans-154.3103.4-175.9-62.3-178.7-34.700110.3K253 Q254 G255 D290 D328 Q330K253-Q292 PolarHBondContact O-N 2.89Å; Q254-Q292 WeakPolarHBondContact CA-O 2.93Å; Q254-Q292 HydrophobicContact CG-CB 4.35Å; G255-Q292 PolarHBondContact N-O 3.35Å; G255-Q292 VanDerWaalsContact N-O 3.14Å; D290-Q292 PolarHBondContact OD1-N 2.87Å; Q292-D328 PolarHBondContact N-OD1 3.01Å; Q292-Q330 WeakPolarHBondContact CA-O 3.39Å; Q292-Q330 HydrophobicContact CG-CB 4.29Å
293G81.3Confident82Confident20 Ų2036.8 Ų36.821%0.20618%0.182CC..EExtended strand (participates in β ladder)trans162.3-136177.800000116.6G255 D290 Q330 G331 V332G255-G293 CarbonylContact O-C 3.59Å; G255-G293 WeakPolarHBondContact O-CA 3.01Å; D290-G293 WeakPolarHBondContact OD2-CA 2.99Å; D290-G293 PolarHBondContact OD2-N 2.8Å; G293-Q330 PolarHBondContact N-O 3.48Å; G293-G331 CarbonylContact O-C 3.56Å; G293-G331 WeakPolarHBondContact O-CA 3.47Å; G293-V332 PolarHBondContact O-N 3.27Å
294V82.7Confident82.4Confident56 Ų5635.6 Ų35.634%0.33917%0.173SC..EExtended strand (participates in β ladder)trans-126120.7179-1790000109.2G255 V256 V257 V296 V332G255-V294 PolarHBondContact O-N 3.41Å; V256-V294 CarbonylContact C-O 3.56Å; V256-V294 WeakPolarHBondContact CA-O 3.34Å; V256-V294 HydrophobicContact CG1-CB 4.45Å; V256-V294 HydrophobicContact CG2-CB 4.39Å; V257-V294 PolarHBondContact N-O 2.89Å; V294-V296 HydrophobicContact CG1-CG2 4.22Å; V294-V332 WeakPolarHBondContact CA-O 3.41Å; V294-V332 HydrophobicContact CG1-CB 4.45Å; V294-V332 HydrophobicContact CG2-CB 4.41Å
295V81.7Confident82.6Confident0 Ų036.9 Ų36.90%018%0.178CC..EExtended strand (participates in β ladder)trans-117.4121.6-174.2-160.80000109.6V257 V288 D290 V326 D328 V332 V333 V334V257-V295 HydrophobicContact CB-CG1 4.27Å; V257-V295 CarbonylContact O-C 3.57Å; V257-V295 WeakPolarHBondContact O-CA 3.34Å; V288-V295 HydrophobicContact CB-CG1 3.63Å; V288-V295 HydrophobicContact CG1-CG1 3.23Å; D290-V295 HydrophobicContact CB-CG2 3.32Å; V295-V326 HydrophobicContact CB-CG1 3.68Å; V295-V326 HydrophobicContact CG1-CG1 3.22Å; V295-D328 HydrophobicContact CG2-CB 3.73Å; V295-V332 PolarHBondContact N-O 3.34Å; V295-V333 HydrophobicContact CB-CG1 4.28Å; V295-V333 WeakPolarHBondContact O-CA 3.33Å; V295-V334 PolarHBondContact O-N 3.01Å
296V82.8Confident82.7Confident26 Ų2639.5 Ų39.516%0.15818%0.184CC..EExtended strand (participates in β ladder)trans-125.3108.9-179.7-1750000109.9V257 V258 G259 V294 Q298 V334V257-V296 PolarHBondContact O-N 3.06Å; V258-V296 CarbonylContact C-O 3.58Å; V258-V296 WeakPolarHBondContact CA-O 3.38Å; V258-V296 HydrophobicContact CG1-CB 4.44Å; V258-V296 HydrophobicContact CG2-CB 4.34Å; G259-V296 PolarHBondContact N-O 3.43Å; V294-V296 HydrophobicContact CG1-CG2 4.22Å; V296-Q298 HydrophobicContact CG1-CG 4.04Å; V296-V334 CarbonylContact C-O 3.58Å; V296-V334 WeakPolarHBondContact CA-O 3.32Å; V296-V334 HydrophobicContact CG1-CB 4.49Å; V296-V334 HydrophobicContact CG2-CB 4.38Å
297G82.4Confident82.8Confident0 Ų039.5 Ų39.50%018%0.184CC..EExtended strand (participates in β ladder)trans-101.5127.4169.500000110.7G259 V334 G335 Q336G259-G297 CarbonylContact O-C 3.58Å; G259-G297 WeakPolarHBondContact O-CA 3.48Å; G297-V334 PolarHBondContact N-O 3.29Å; G297-G335 CarbonylContact O-C 3.52Å; G297-G335 WeakPolarHBondContact O-CA 3.32Å; G297-Q336 PolarHBondContact O-N 3.01Å
298Q85Confident82.7Confident66 Ų6639.6 Ų39.631%0.30819%0.186SC..EExtended strand (participates in β ladder)trans-133.6130.3173-57.7-171.10.300112.6G259 Q260 E261 V296 Q336G259-Q298 PolarHBondContact O-N 2.92Å; Q260-Q298 CarbonylContact C-O 3.58Å; Q260-Q298 VanDerWaalsContact CA-O 3.26Å; Q260-Q298 WeakPolarHBondContact CA-O 2.84Å; Q260-Q298 HydrophobicContact CG-CB 4.25Å; E261-Q298 PolarHBondContact N-O 3.17Å; V296-Q298 HydrophobicContact CG1-CG 4.04Å; Q298-Q336 CarbonylContact C-O 3.56Å; Q298-Q336 VanDerWaalsContact CA-O 3.3Å; Q298-Q336 WeakPolarHBondContact CA-O 3.42Å; Q298-Q336 HydrophobicContact CG-CB 4.23Å
299E83.2Confident82.5Confident3 Ų340 Ų401%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-122.7135.2173.3-158.7-140.1113.900110.6E261 V286 V324 Q336 E337 K338E261-E299 HydrophobicContact CB-CG 4.26Å; E261-E299 WeakPolarHBondContact O-CA 3.49Å; V286-E299 HydrophobicContact CG2-CB 4.49Å; V286-E299 HydrophobicContact CG2-CG 4.37Å; E299-V324 HydrophobicContact CB-CG2 3.56Å; E299-V324 HydrophobicContact CG-CG2 4.44Å; E299-Q336 PolarHBondContact N-O 2.89Å; E299-E337 HydrophobicContact CB-CG 4.24Å; E299-E337 WeakPolarHBondContact O-CA 3.13Å; E299-K338 PolarHBondContact O-N 2.94Å
300K85.9Confident82.1Confident113 Ų11338.3 Ų38.349%0.49118%0.18SC..EExtended strand (participates in β ladder)trans-138.6107.1-179.6-174.1174.8-173.1161.10113.1E261 K262 R263 K338E261-K300 PolarHBondContact O-N 2.98Å; K262-K300 WeakPolarHBondContact CA-O 2.8Å; K262-K300 HydrophobicContact CG-CB 4.31Å; R263-K300 PolarHBondContact N-O 2.94Å; K300-K338 HydrophobicContact CG-CB 4.2Å
301R83.7Confident81.5Confident3 Ų341 Ų411%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-111.3139.3-175.7-172.2-177.4-175.7-129.3-62.9115.4R263 E284 R303 E320 E322 K338 R339 R340R263-R301 WeakPolarHBondContact O-CA 3.37Å; E284-R301 IonicContact OE1-NE 3.11Å; R301-R303 HydrophobicContact CG-CG 4.07Å; R301-E320 IonicContact CZ-OE2 3.61Å; R301-E320 IonicContact NH1-OE2 2.6Å; R301-E320 PolarHBondContact NH1-OE2 2.99Å; R301-E320 IonicContact NH2-OE1 3.84Å; R301-E320 IonicContact NH2-OE2 3.88Å; R301-E320 PolarHBondContact NH2-OE2 3.14Å; R301-E322 WeakPolarHBondContact CD-OE1 3.4Å; R301-E322 WeakPolarHBondContact CD-OE2 2.75Å; R301-E322 IonicContact CZ-OE1 2.92Å; R301-E322 IonicContact CZ-OE2 3.2Å; R301-E322 IonicContact NE-OE1 2.63Å; R301-E322 PolarHBondContact NE-OE1 3.22Å; R301-E322 IonicContact NE-OE2 3.31Å; R301-E322 PolarHBondContact NE-OE2 3.32Å; R301-E322 IonicContact NH1-OE1 3.3Å; R301-E322 PolarHBondContact NH1-OE1 3Å; R301-E322 IonicContact NH1-OE2 2.71Å; R301-E322 PolarHBondContact NH1-OE2 2.89Å; R301-K338 PolarHBondContact N-O 2.77Å; R301-R339 HydrophobicContact CB-CG 4.38Å; R301-R339 VanDerWaalsContact CZ-NE 3.3Å; R301-R339 VanDerWaalsContact NH1-CZ 3.3Å; R301-R340 PolarHBondContact O-N 3.39Å
302R83.7Confident81.2Confident71 Ų7140.6 Ų40.627%0.26820%0.2SC..EExtended strand (participates in β ladder)trans-139.3103.3170.4-175.7-176.7174.8-175.65.1112.7R263 R264 R265 R340R263-R302 PolarHBondContact O-N 3.32Å; R264-R302 WeakPolarHBondContact CA-O 3.43Å; R264-R302 HydrophobicContact CG-CB 4.46Å; R265-R302 PolarHBondContact N-O 3.39Å; R265-R302 VanDerWaalsContact N-O 3.12Å; R302-R340 WeakPolarHBondContact CA-O 3.4Å; R302-R340 HydrophobicContact CG-CB 4.44Å
303R81.9Confident80.9Confident12 Ų1236.7 Ų36.75%0.04518%0.182CC..EExtended strand (participates in β ladder)trans-102.8137.7174.4-55.1-149.9-165.6138.98.2112.1R263 R265 E282 E284 R301 E320 E322 R340 R341 R342R263-R303 VanDerWaalsContact NH1-CZ 3.31Å; R265-R303 HydrophobicContact CB-CB 4.38Å; R265-R303 HydrophobicContact CB-CG 3.91Å; E282-R303 IonicContact OE2-CZ 3.61Å; E282-R303 IonicContact OE2-NE 3.7Å; E282-R303 PolarHBondContact OE2-NE 2.94Å; E282-R303 IonicContact OE2-NH1 2.81Å; E282-R303 PolarHBondContact OE2-NH1 3.34Å; E282-R303 IonicContact OE2-NH2 3.26Å; E282-R303 PolarHBondContact OE2-NH2 2.75Å; E284-R303 IonicContact OE1-CZ 3.12Å; E284-R303 IonicContact OE1-NE 3.17Å; E284-R303 IonicContact OE1-NH2 3.95Å; E284-R303 PolarHBondContact OE1-NH2 3.36Å; R301-R303 HydrophobicContact CG-CG 4.07Å; R303-E320 IonicContact CZ-OE2 3.45Å; R303-E320 IonicContact NH1-OE1 2.78Å; R303-E320 PolarHBondContact NH1-OE1 3.2Å; R303-E320 IonicContact NH1-OE2 2.72Å; R303-E320 PolarHBondContact NH1-OE2 3.44Å; R303-E322 IonicContact NH2-OE1 3.95Å; R303-E322 PolarHBondContact NH2-OE1 2.84Å; R303-R340 PolarHBondContact N-O 3.34Å; R303-R340 VanDerWaalsContact N-O 3.13Å; R303-R341 WeakPolarHBondContact O-CA 3.31Å; R303-R342 PolarHBondContact O-N 3.36Å
304R82.7Confident80.7Confident72 Ų7239.8 Ų39.827%0.27219%0.191SC..EExtended strand (participates in β ladder)trans-130.1120170.5-64.6-171.5169.7-174.8-8.9109.7R265 R266 R267 R342R265-R304 PolarHBondContact O-N 3Å; R266-R304 CarbonylContact C-O 3.6Å; R266-R304 VanDerWaalsContact CA-O 3.31Å; R266-R304 WeakPolarHBondContact CA-O 3.39Å; R266-R304 HydrophobicContact CG-CB 4.29Å; R267-R304 PolarHBondContact N-O 3.03Å; R304-R342 CarbonylContact C-O 3.55Å; R304-R342 WeakPolarHBondContact CA-O 3.2Å; R304-R342 HydrophobicContact CG-CB 4.29Å
305R80.8Confident80.5Confident29 Ų2937.1 Ų37.111%0.10918%0.175CC..EExtended strand (participates in β ladder)trans-117.8130.6177.8-168.7172.2179.3-153.3-3.4109.7R267 T307 S315 T317 R342 R343 R344R267-R305 WeakPolarHBondContact O-CA 3.42Å; R305-T307 PolarHBondContact NE-OG1 3.09Å; R305-S315 PolarHBondContact NH2-OG 2.68Å; R305-T317 PolarHBondContact NH1-OG1 3.42Å; R305-T317 VanDerWaalsContact NH2-CG2 3.25Å; R305-R342 PolarHBondContact N-O 2.95Å; R305-R343 WeakPolarHBondContact O-CA 3.16Å; R305-R344 PolarHBondContact O-N 3.45Å
306R83.5Confident80.1Confident100 Ų10039.4 Ų39.438%0.37719%0.189SC..EExtended strand (participates in β ladder)trans-123.6116.4165.8-174.1176179.9-175-0.9107.7R267 R268 T269 R344R267-R306 PolarHBondContact O-N 2.79Å; R268-R306 CarbonylContact C-O 3.6Å; R268-R306 VanDerWaalsContact CA-O 3.26Å; R268-R306 WeakPolarHBondContact CA-O 3.08Å; R268-R306 HydrophobicContact CG-CB 4.47Å; T269-R306 PolarHBondContact N-O 3.26Å; R306-R344 VanDerWaalsContact CA-O 3.28Å; R306-R344 WeakPolarHBondContact CA-O 3.34Å
307T81Confident79.3Confident0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-116.3134.4175.8-530000107.5T269 R305 L309 R344 T345 T346T269-T307 WeakPolarHBondContact O-CA 3.22Å; R305-T307 PolarHBondContact NE-OG1 3.09Å; T307-L309 HydrophobicContact CG2-CD1 4.45Å; T307-L309 HydrophobicContact CG2-CD2 3.43Å; T307-L309 VanDerWaalsContact CG2-CD2 3.43Å; T307-L309 HydrophobicContact CG2-CG 3.79Å; T307-R344 PolarHBondContact N-O 2.84Å; T307-T345 CarbonylContact O-C 3.59Å; T307-T345 WeakPolarHBondContact O-CA 3.39Å; T307-T346 PolarHBondContact O-N 3.25Å
308T82.2Confident78.3Confident38 Ų3840.6 Ų40.623%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-123.5117166.8-60.10000105.5T269 T270 L271 T346T269-T308 PolarHBondContact O-N 3.19Å; T270-T308 WeakPolarHBondContact CA-O 3.19Å; L271-T308 PolarHBondContact N-O 3Å; T308-T346 WeakPolarHBondContact CA-O 3.33Å
309L77.3Confident77.2Confident7 Ų738.6 Ų38.64%0.03719%0.193CC..  trans-101.9145.1177.7-57-177.7000108.4L271 T307 G313 T346 L347 G348 E352L271-L309 HydrophobicContact CB-CD2 3.95Å; L271-L309 HydrophobicContact CD1-CD2 3.38Å; L271-L309 HydrophobicContact CG-CD2 3.7Å; T307-L309 HydrophobicContact CG2-CD1 4.45Å; T307-L309 HydrophobicContact CG2-CD2 3.43Å; T307-L309 VanDerWaalsContact CG2-CD2 3.43Å; T307-L309 HydrophobicContact CG2-CG 3.79Å; L309-G313 WeakPolarHBondContact CD1-O 3.4Å; L309-T346 PolarHBondContact N-O 2.74Å; L309-L347 HydrophobicContact CB-CD2 4.24Å; L309-L347 HydrophobicContact CD1-CD2 3.36Å; L309-L347 HydrophobicContact CG-CD2 3.97Å; L309-G348 PolarHBondContact O-N 2.91Å; L309-E352 WeakPolarHBondContact CD1-O 3.3Å
310G76.5Confident76.5Confident12 Ų1239 Ų3912%0.12420%0.196CC..  trans-69.6-175.4165.600000111.5L271 G272 L312 G313L271-G310 PolarHBondContact O-N 3.48Å; G272-G310 PolarHBondContact O-N 2.92Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 3.29Å; G310-G313 PolarHBondContact O-N 2.68Å
311P73.3Confident75.6Confident58 Ų5838.6 Ų38.638%0.37720%0.195SC..THydrogen-bonded Turntrans-51.9-39.7-177.811.9-27.6000115.6P273 P349 L350 G351P273-P311 HydrophobicContact CB-CG 4.02Å; P273-P311 HydrophobicContact CG-CG 4.43Å; P311-P349 HydrophobicContact CB-CG 3.89Å; P311-L350 CarbonylContact O-C 3.56Å; P311-L350 WeakPolarHBondContact O-CA 3.33Å; P311-L350 WeakPolarHBondContact O-CB 3.3Å; P311-L350 PolarHBondContact O-N 2.88Å; P311-G351 PolarHBondContact O-N 2.85Å
312L74Confident74.9Confident85 Ų8538.6 Ų38.645%0.44520%0.195SC..THydrogen-bonded Turntrans-121.120.2-177.7-67164.2000111.7P273 L274 G310 L350P273-L312 CarbonylContact O-C 3.57Å; P273-L312 WeakPolarHBondContact O-CA 3.2Å; P273-L312 VanDerWaalsContact O-CB 3.25Å; P273-L312 WeakPolarHBondContact O-CB 3.4Å; P273-L312 PolarHBondContact O-N 2.73Å; L274-L312 HydrophobicContact CD2-CB 3.64Å; L274-L312 HydrophobicContact CD2-CD1 3.54Å; L274-L312 HydrophobicContact CD2-CG 4.23Å; L274-L312 HydrophobicContact CG-CB 4.46Å; L274-L312 HydrophobicContact CG-CD1 4.44Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 3.29Å; L312-L350 HydrophobicContact CD2-CB 3.72Å; L312-L350 HydrophobicContact CD2-CD1 3.6Å; L312-L350 HydrophobicContact CD2-CG 4.32Å
313G73.3Confident74.5Confident0 Ų037.8 Ų37.80%020%0.196CC..  trans-77.7132-175.200000110.8P273 G275 L309 G310 G351 E352P273-G313 PolarHBondContact O-N 2.72Å; G275-G313 WeakPolarHBondContact O-CA 3.44Å; L309-G313 WeakPolarHBondContact CD1-O 3.4Å; G310-G313 PolarHBondContact O-N 2.68Å; G313-G351 WeakPolarHBondContact O-CA 3.35Å; G313-E352 PolarHBondContact O-N 3.4Å
314E77.4Confident74.2Confident84 Ų8437.2 Ų37.239%0.39319%0.194SC..EExtended strand (participates in β ladder)trans-104.1147.4177.4-64.3-166.9-17100112.5L271 G275 E276 S277L271-E314 WeakPolarHBondContact CD1-O 3.33Å; G275-E314 PolarHBondContact O-N 3.43Å; E276-E314 HydrophobicContact CG-CB 4.36Å; S277-E314 PolarHBondContact N-O 2.82Å
315S77.5Confident74.1Confident1 Ų135.7 Ų35.71%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-146.6102.2177.3150.30000111.1S277 R305 E352 S353 T354S277-S315 WeakPolarHBondContact O-CA 3.26Å; R305-S315 PolarHBondContact NH2-OG 2.68Å; S315-E352 PolarHBondContact N-O 3.3Å; S315-E352 VanDerWaalsContact N-O 3.1Å; S315-S353 WeakPolarHBondContact O-CA 3.31Å; S315-T354 PolarHBondContact O-N 2.6Å; S315-T354 VanDerWaalsContact O-N 3.17Å
316T75.2Confident74Confident48 Ų4834.3 Ų34.329%0.29419%0.186SC..EExtended strand (participates in β ladder)trans-99.5130.6174.1-58.10000110.4S277 T278 T279S277-T316 PolarHBondContact O-N 2.75Å; T278-T316 WeakPolarHBondContact CA-O 3.49Å; T279-T316 PolarHBondContact N-O 3.06Å; T279-T316 VanDerWaalsContact N-O 3.11Å
317T66Low73.9Confident7 Ų731.3 Ų31.34%0.04318%0.179CC..  trans-135.8103.9171.451.90000109.6T279 R305 T354 T355 P356T279-T317 WeakPolarHBondContact O-CA 3.13Å; T279-T317 WeakPolarHBondContact OG1-CG2 3.19Å; R305-T317 PolarHBondContact NH1-OG1 3.42Å; R305-T317 VanDerWaalsContact NH2-CG2 3.25Å; T317-T354 PolarHBondContact N-O 2.9Å; T317-T355 WeakPolarHBondContact O-CA 3.31Å; T317-T355 WeakPolarHBondContact OG1-CG2 3.32Å; T317-P356 WeakPolarHBondContact O-CD 3.4Å
318P61.5Low73.9Confident44 Ų4431.4 Ų31.429%0.28618%0.179SC..  trans-48.9172172.1-36.938.5000115.9T279 P280T279-P318 WeakPolarHBondContact O-CD 3.42Å; P280-P318 HydrophobicContact CB-CG 4.21Å
319G61.8Low73.7Confident23 Ų2334.4 Ų34.424%0.23719%0.189CC..  trans-61.5158.8-179.200000112.9G281 G357G281-G319 WeakPolarHBondContact CA-O 3.3Å; G319-G357 WeakPolarHBondContact CA-O 3.43Å
320E68.1Low73.6Confident13 Ų1337.9 Ų37.96%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-120.6127.3178.4-55.8162.5171.500103.9R301 R303 R339 R341 E358 E359R301-E320 IonicContact CZ-OE2 3.61Å; R301-E320 IonicContact NH1-OE2 2.6Å; R301-E320 PolarHBondContact NH1-OE2 2.99Å; R301-E320 IonicContact NH2-OE1 3.84Å; R301-E320 IonicContact NH2-OE2 3.88Å; R301-E320 PolarHBondContact NH2-OE2 3.14Å; R303-E320 IonicContact CZ-OE2 3.45Å; R303-E320 IonicContact NH1-OE1 2.78Å; R303-E320 PolarHBondContact NH1-OE1 3.2Å; R303-E320 IonicContact NH1-OE2 2.72Å; R303-E320 PolarHBondContact NH1-OE2 3.44Å; E320-R339 IonicContact OE2-CZ 3.35Å; E320-R339 IonicContact OE2-NH2 3.45Å; E320-R339 PolarHBondContact OE2-NH2 3.14Å; E320-R341 IonicContact OE1-CZ 3.39Å; E320-R341 IonicContact OE1-NH2 2.64Å; E320-R341 PolarHBondContact OE1-NH2 2.98Å; E320-E358 HydrophobicContact CB-CG 4.47Å; E320-E358 WeakPolarHBondContact O-CA 3.28Å; E320-E359 PolarHBondContact O-N 2.89Å; E320-E359 VanDerWaalsContact O-N 3.1Å
321E67.4Low73.6Confident103 Ų10338.4 Ų38.448%0.48121%0.211SC..EExtended strand (participates in β ladder)trans-110.2126.5179.1-63.2-170.6-170.700108.8E282 E283 E284 E359E282-E321 PolarHBondContact O-N 3Å; E283-E321 WeakPolarHBondContact CA-O 3.31Å; E283-E321 HydrophobicContact CG-CB 4.35Å; E284-E321 PolarHBondContact N-O 3.27Å; E321-E359 VanDerWaalsContact CA-O 3.31Å; E321-E359 WeakPolarHBondContact CA-O 3.45Å; E321-E359 HydrophobicContact CG-CB 4.37Å
322E68.5Low73.9Confident3 Ų338.4 Ų38.41%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-131.9121.9-178.7-53.1-165.8154.300108.2E284 R301 R303 R339 E359 E360 L361E284-E322 HydrophobicContact CB-CG 4.27Å; E284-E322 WeakPolarHBondContact O-CA 3.45Å; R301-E322 WeakPolarHBondContact CD-OE1 3.4Å; R301-E322 WeakPolarHBondContact CD-OE2 2.75Å; R301-E322 IonicContact CZ-OE1 2.92Å; R301-E322 IonicContact CZ-OE2 3.2Å; R301-E322 IonicContact NE-OE1 2.63Å; R301-E322 PolarHBondContact NE-OE1 3.22Å; R301-E322 IonicContact NE-OE2 3.31Å; R301-E322 PolarHBondContact NE-OE2 3.32Å; R301-E322 IonicContact NH1-OE1 3.3Å; R301-E322 PolarHBondContact NH1-OE1 3Å; R301-E322 IonicContact NH1-OE2 2.71Å; R301-E322 PolarHBondContact NH1-OE2 2.89Å; R303-E322 IonicContact NH2-OE1 3.95Å; R303-E322 PolarHBondContact NH2-OE1 2.84Å; E322-R339 IonicContact OE2-NE 3.72Å; E322-E359 PolarHBondContact N-O 3.38Å; E322-E360 HydrophobicContact CB-CG 4.1Å; E322-E360 HydrophobicContact CG-CG 4.43Å; E322-E360 CarbonylContact O-C 3.55Å; E322-E360 WeakPolarHBondContact O-CA 3.14Å; E322-L361 PolarHBondContact O-N 3.33Å
323L74.2Confident74.1Confident55 Ų5534.3 Ų34.329%0.28819%0.188SC..EExtended strand (participates in β ladder)trans-129.9120.1-177.1173.866.4000109E284 L285 V286 N325 L361 N363E284-L323 PolarHBondContact O-N 3.37Å; L285-L323 WeakPolarHBondContact CA-O 3.13Å; L285-L323 HydrophobicContact CD1-CB 3.61Å; L285-L323 HydrophobicContact CD1-CD2 3.51Å; L285-L323 HydrophobicContact CD1-CG 3.51Å; L285-L323 WeakPolarHBondContact CD1-O 3.27Å; V286-L323 PolarHBondContact N-O 3.24Å; L323-N325 HydrophobicContact CG-CB 4.35Å; L323-L361 WeakPolarHBondContact CA-O 3.2Å; L323-L361 HydrophobicContact CD1-CB 3.88Å; L323-L361 HydrophobicContact CD1-CD2 3.68Å; L323-L361 HydrophobicContact CD1-CG 4.4Å; L323-L361 WeakPolarHBondContact CD1-O 3.25Å; L323-N363 HydrophobicContact CD1-CB 4.44Å
324V76.2Confident74.4Confident0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-105.2103.4165.8-177.80000106.3V286 E299 V326 L361 V362 N363V286-V324 HydrophobicContact CB-CG1 4.46Å; V286-V324 HydrophobicContact CB-CG2 4.44Å; E299-V324 HydrophobicContact CB-CG2 3.56Å; E299-V324 HydrophobicContact CG-CG2 4.44Å; V324-V326 HydrophobicContact CG1-CG2 3.69Å; V324-L361 PolarHBondContact N-O 2.99Å; V324-V362 HydrophobicContact CB-CG1 4.37Å; V324-V362 HydrophobicContact CB-CG2 4.49Å; V324-V362 CarbonylContact O-C 3.57Å; V324-V362 WeakPolarHBondContact O-CA 3.32Å; V324-N363 PolarHBondContact O-N 3.03Å
325N81.3Confident74.4Confident40 Ų4031.7 Ų31.721%0.21418%0.177CC..EExtended strand (participates in β ladder)trans-103.9112.6175.7-170.819.6000109.3V286 N287 V288 L323 T327 N363V286-N325 PolarHBondContact O-N 3.25Å; N287-N325 WeakPolarHBondContact CA-O 3.23Å; N287-N325 WeakPolarHBondContact OD1-CB 3.5Å; V288-N325 PolarHBondContact N-O 3.27Å; L323-N325 HydrophobicContact CG-CB 4.35Å; N325-T327 PolarHBondContact OD1-OG1 2.93Å; N325-N363 WeakPolarHBondContact CA-O 3.45Å; N325-N363 PolarHBondContact OD1-O 2.9Å
326V78.2Confident74.6Confident0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-117.7111.4179.4-159.80000106.6V288 V295 V324 V333 N363 V364 T365V288-V326 HydrophobicContact CB-CG1 4.23Å; V288-V326 WeakPolarHBondContact O-CA 3.18Å; V295-V326 HydrophobicContact CB-CG1 3.68Å; V295-V326 HydrophobicContact CG1-CG1 3.22Å; V324-V326 HydrophobicContact CG1-CG2 3.69Å; V326-V333 HydrophobicContact CB-CG1 3.59Å; V326-V333 HydrophobicContact CG1-CG1 3.22Å; V326-N363 PolarHBondContact N-O 2.87Å; V326-V364 HydrophobicContact CB-CG1 4.4Å; V326-V364 WeakPolarHBondContact O-CA 3.41Å; V326-T365 PolarHBondContact O-N 2.88Å
327T81.6Confident74.8Confident37 Ų3731.2 Ų31.223%0.22717%0.172CC..EExtended strand (participates in β ladder)trans-121.5126.7-177.5-60.30000109.7V288 T289 D290 N325 T365V288-T327 PolarHBondContact O-N 2.85Å; T289-T327 WeakPolarHBondContact CA-O 3.38Å; D290-T327 PolarHBondContact N-O 3.23Å; N325-T327 PolarHBondContact OD1-OG1 2.93Å; T327-T365 WeakPolarHBondContact CA-O 3.49Å
328D80.5Confident75.6Confident1 Ų134.7 Ų34.71%0.00519%0.187CC..  trans-126.7152.5165.1-166.2-0.7000108.9D290 Q292 V295 Q330 G331 V333 T365 D366D290-D328 WeakPolarHBondContact O-CA 3.4Å; Q292-D328 PolarHBondContact N-OD1 3.01Å; V295-D328 HydrophobicContact CG2-CB 3.73Å; D328-Q330 PolarHBondContact OD1-N 3.17Å; D328-Q330 VanDerWaalsContact OD1-N 3.07Å; D328-Q330 VanDerWaalsContact OD2-C 3.3Å; D328-G331 WeakPolarHBondContact OD2-CA 3.49Å; D328-G331 PolarHBondContact OD2-N 2.76Å; D328-G331 VanDerWaalsContact OD2-N 3.11Å; D328-V333 HydrophobicContact CB-CG2 3.35Å; D328-T365 PolarHBondContact N-O 3.15Å; D328-D366 WeakPolarHBondContact O-CA 3.39Å
329K77.3Confident76.5Confident101 Ų10133 Ų3344%0.43917%0.174SC..SBendtrans-92.1-30.8169.7-53.9-178.9178.8-176.20111.2K291 K367K291-K329 HydrophobicContact CB-CD 4.31Å; K291-K329 VanDerWaalsContact O-CB 3.31Å; K291-K329 WeakPolarHBondContact O-CB 3.34Å; K329-K367 WeakPolarHBondContact O-CB 3.28Å
330Q75.3Confident77.3Confident81 Ų8135.4 Ų35.438%0.37918%0.176SC..SBendtrans-154.793.6-174.1-61.7-176.7-4000110.7K291 Q292 G293 D328K291-Q330 PolarHBondContact O-N 2.89Å; Q292-Q330 WeakPolarHBondContact CA-O 3.39Å; Q292-Q330 HydrophobicContact CG-CB 4.29Å; G293-Q330 PolarHBondContact N-O 3.48Å; D328-Q330 PolarHBondContact OD1-N 3.17Å; D328-Q330 VanDerWaalsContact OD1-N 3.07Å; D328-Q330 VanDerWaalsContact OD2-C 3.3Å
331G76.5Confident77.8Confident23 Ų2335.6 Ų35.624%0.23718%0.176CC..EExtended strand (participates in β ladder)trans168.2-134.5176.900000116.5G293 D328 D366 G369 V370G293-G331 CarbonylContact O-C 3.56Å; G293-G331 WeakPolarHBondContact O-CA 3.47Å; D328-G331 WeakPolarHBondContact OD2-CA 3.49Å; D328-G331 PolarHBondContact OD2-N 2.76Å; D328-G331 VanDerWaalsContact OD2-N 3.11Å; G331-D366 VanDerWaalsContact O-OD2 3.06Å; G331-G369 VanDerWaalsContact O-CA 3.23Å; G331-G369 WeakPolarHBondContact O-CA 3.34Å; G331-V370 PolarHBondContact O-N 3.47Å; G331-V370 VanDerWaalsContact O-N 3.12Å
332V79.2Confident78.3Confident57 Ų5734.2 Ų34.235%0.34517%0.167SC..EExtended strand (participates in β ladder)trans-127124.3-1801800000109.3G293 V294 V295 V334G293-V332 PolarHBondContact O-N 3.27Å; V294-V332 WeakPolarHBondContact CA-O 3.41Å; V294-V332 HydrophobicContact CG1-CB 4.45Å; V294-V332 HydrophobicContact CG2-CB 4.41Å; V295-V332 PolarHBondContact N-O 3.34Å; V332-V334 HydrophobicContact CG1-CG2 4.24Å
333V78.6Confident78.7Confident0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-119.2119.3-173.1-159.10000109.8V295 V326 D328 V364 D366 V370 V372V295-V333 HydrophobicContact CB-CG1 4.28Å; V295-V333 WeakPolarHBondContact O-CA 3.33Å; V326-V333 HydrophobicContact CB-CG1 3.59Å; V326-V333 HydrophobicContact CG1-CG1 3.22Å; D328-V333 HydrophobicContact CB-CG2 3.35Å; V333-V364 HydrophobicContact CB-CG1 3.54Å; V333-V364 HydrophobicContact CG1-CG1 3.18Å; V333-D366 HydrophobicContact CG2-CB 3.73Å; V333-V370 PolarHBondContact N-O 3.44Å; V333-V372 PolarHBondContact O-N 2.99Å
334V79.5Confident79Confident28 Ų2837.3 Ų37.317%0.1717%0.174CC..EExtended strand (participates in β ladder)trans-122.8111.3179.5-174.40000110.1V295 V296 G297 V332 Q336 V372V295-V334 PolarHBondContact O-N 3.01Å; V296-V334 CarbonylContact C-O 3.58Å; V296-V334 WeakPolarHBondContact CA-O 3.32Å; V296-V334 HydrophobicContact CG1-CB 4.49Å; V296-V334 HydrophobicContact CG2-CB 4.38Å; G297-V334 PolarHBondContact N-O 3.29Å; V332-V334 HydrophobicContact CG1-CG2 4.24Å; V334-Q336 HydrophobicContact CG1-CG 4.2Å; V334-V372 WeakPolarHBondContact CA-O 3.46Å; V334-V372 HydrophobicContact CG2-CB 4.4Å
335G78.5Confident79.1Confident0 Ų037.3 Ų37.30%017%0.174CC..EExtended strand (participates in β ladder)trans-105127.617100000110.7G297 V372 G373 Q374G297-G335 CarbonylContact O-C 3.52Å; G297-G335 WeakPolarHBondContact O-CA 3.32Å; G335-V372 PolarHBondContact N-O 3.12Å; G335-G373 CarbonylContact O-C 3.59Å; G335-G373 WeakPolarHBondContact O-CA 3.33Å; G335-Q374 PolarHBondContact O-N 3.19Å
336Q81.1Confident79Confident38 Ų3837 Ų3718%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-131130.3172-59-165.94.400113.2G297 Q298 E299 V334 Q374G297-Q336 PolarHBondContact O-N 3.01Å; Q298-Q336 CarbonylContact C-O 3.56Å; Q298-Q336 VanDerWaalsContact CA-O 3.3Å; Q298-Q336 WeakPolarHBondContact CA-O 3.42Å; Q298-Q336 HydrophobicContact CG-CB 4.23Å; E299-Q336 PolarHBondContact N-O 2.89Å; V334-Q336 HydrophobicContact CG1-CG 4.2Å; Q336-Q374 CarbonylContact C-O 3.52Å; Q336-Q374 VanDerWaalsContact CA-O 3.3Å; Q336-Q374 WeakPolarHBondContact CA-O 3.25Å; Q336-Q374 HydrophobicContact CG-CB 4.3Å
337E79.6Confident78.8Confident1 Ų137.9 Ų37.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-122.3130.9173.5-157.7-147.3119.300111.2E299 V362 Q374 K376E299-E337 HydrophobicContact CB-CG 4.24Å; E299-E337 WeakPolarHBondContact O-CA 3.13Å; E337-V362 HydrophobicContact CB-CG2 3.68Å; E337-Q374 PolarHBondContact N-O 2.89Å; E337-K376 PolarHBondContact O-N 3.04Å
338K82.8Confident78.6Confident81 Ų8136.6 Ų36.635%0.35217%0.173SC..EExtended strand (participates in β ladder)trans-132.4102.5-178.4-77.7176177.5125.70111.9E299 K300 R301 K376E299-K338 PolarHBondContact O-N 2.94Å; K300-K338 HydrophobicContact CG-CB 4.2Å; R301-K338 PolarHBondContact N-O 2.77Å; K338-K376 HydrophobicContact CG-CB 4.24Å
339R80Confident78.1Confident7 Ų739.4 Ų39.43%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-110.7135.3-175.4-167.3170.7-179.7-115.6-0.3114.8R301 E320 E322 E358 E360 K376 R377 R378 R379R301-R339 HydrophobicContact CB-CG 4.38Å; R301-R339 VanDerWaalsContact CZ-NE 3.3Å; R301-R339 VanDerWaalsContact NH1-CZ 3.3Å; E320-R339 IonicContact OE2-CZ 3.35Å; E320-R339 IonicContact OE2-NH2 3.45Å; E320-R339 PolarHBondContact OE2-NH2 3.14Å; E322-R339 IonicContact OE2-NE 3.72Å; R339-E358 IonicContact CZ-OE1 3.1Å; R339-E358 IonicContact CZ-OE2 3.49Å; R339-E358 IonicContact NH1-OE1 3.17Å; R339-E358 IonicContact NH1-OE2 3.62Å; R339-E358 PolarHBondContact NH1-OE2 2.99Å; R339-E358 IonicContact NH2-OE1 2.79Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 3.41Å; R339-E358 PolarHBondContact NH2-OE2 2.76Å; R339-E360 WeakPolarHBondContact CD-OE1 3.18Å; R339-E360 WeakPolarHBondContact CD-OE2 3.4Å; R339-E360 IonicContact CZ-OE1 3.23Å; R339-E360 IonicContact NE-OE1 3.82Å; R339-E360 PolarHBondContact NE-OE1 3.31Å; R339-E360 IonicContact NH1-OE1 3.63Å; R339-E360 PolarHBondContact NH1-OE1 3.14Å; R339-E360 IonicContact NH1-OE2 2.81Å; R339-E360 IonicContact NH2-OE1 2.94Å; R339-K376 PolarHBondContact N-O 3.03Å; R339-R377 CarbonylContact O-C 3.59Å; R339-R378 PolarHBondContact O-N 3.36Å; R339-R379 VanDerWaalsContact NH1-NE 3.11Å
340R78.8Confident77.8Confident74 Ų7440.2 Ų40.228%0.27920%0.2SC..EExtended strand (participates in β ladder)trans-135.2110.9171.9-175180177.1-177.85.6113.3R301 R302 R303 R342 R378R301-R340 PolarHBondContact O-N 3.39Å; R302-R340 WeakPolarHBondContact CA-O 3.4Å; R302-R340 HydrophobicContact CG-CB 4.44Å; R303-R340 PolarHBondContact N-O 3.34Å; R303-R340 VanDerWaalsContact N-O 3.13Å; R340-R342 VanDerWaalsContact NH2-CZ 3.26Å; R340-R378 WeakPolarHBondContact CA-O 3.43Å; R340-R378 HydrophobicContact CG-CB 4.5Å
341R78.2Confident77.6Confident17 Ų1736.7 Ų36.76%0.06419%0.186CC..EExtended strand (participates in β ladder)trans-106.2138.7176.9-154.8176.4-164.8-158.18112R303 E320 E358 R378 R379 R380R303-R341 WeakPolarHBondContact O-CA 3.31Å; E320-R341 IonicContact OE1-CZ 3.39Å; E320-R341 IonicContact OE1-NH2 2.64Å; E320-R341 PolarHBondContact OE1-NH2 2.98Å; R341-E358 IonicContact CZ-OE1 2.84Å; R341-E358 IonicContact NE-OE1 2.74Å; R341-E358 PolarHBondContact NE-OE1 2.88Å; R341-E358 IonicContact NH1-OE1 2.91Å; R341-E358 PolarHBondContact NH1-OE1 2.88Å; R341-E358 IonicContact NH1-OE2 3.39Å; R341-E358 IonicContact NH2-OE1 3.89Å; R341-E358 PolarHBondContact NH2-OE1 2.92Å; R341-R378 PolarHBondContact N-O 3.13Å; R341-R379 HydrophobicContact CB-CG 4.34Å; R341-R380 PolarHBondContact O-N 3.45Å; R341-R380 VanDerWaalsContact O-N 3.07Å
342R78.2Confident77.4Confident75 Ų7541.3 Ų41.328%0.28320%0.201SC..EExtended strand (participates in β ladder)trans-133.6117.7164.9-63.9-170.7170.3-175.3-9.3109.7R303 R304 R305 R340 R380R303-R342 PolarHBondContact O-N 3.36Å; R304-R342 CarbonylContact C-O 3.55Å; R304-R342 WeakPolarHBondContact CA-O 3.2Å; R304-R342 HydrophobicContact CG-CB 4.29Å; R305-R342 PolarHBondContact N-O 2.95Å; R340-R342 VanDerWaalsContact NH2-CZ 3.26Å; R342-R380 CarbonylContact C-O 3.56Å; R342-R380 WeakPolarHBondContact CA-O 3.3Å; R342-R380 HydrophobicContact CG-CB 4.33Å
343R77.2Confident77.2Confident20 Ų2040.1 Ų40.18%0.07520%0.195CC..EExtended strand (participates in β ladder)trans-113.8131173.9-172.3176176.1-172.50.7108.9R305 T345 S353 T355 R380 R381 R382R305-R343 WeakPolarHBondContact O-CA 3.16Å; R343-T345 PolarHBondContact NE-OG1 3Å; R343-S353 PolarHBondContact NH2-OG 2.91Å; R343-T355 PolarHBondContact NH1-OG1 3.28Å; R343-R380 PolarHBondContact N-O 2.95Å; R343-R381 HydrophobicContact CB-CG 4.32Å; R343-R381 WeakPolarHBondContact O-CA 3.3Å; R343-R382 PolarHBondContact O-N 2.56Å
344R80.1Confident76.9Confident102 Ų10243.5 Ų43.539%0.38522%0.216SC..EExtended strand (participates in β ladder)trans-125116.3165-173.4174.7-179.8-176.5-1.1107.6R305 R306 T307 R382R305-R344 PolarHBondContact O-N 3.45Å; R306-R344 VanDerWaalsContact CA-O 3.28Å; R306-R344 WeakPolarHBondContact CA-O 3.34Å; T307-R344 PolarHBondContact N-O 2.84Å; R344-R382 CarbonylContact C-O 3.59Å; R344-R382 VanDerWaalsContact CA-O 3.29Å; R344-R382 WeakPolarHBondContact CA-O 3.38Å
345T78.4Confident76.2Confident0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-112.3132.2175.4-48.70000107.4T307 R343 L347 R382 T383 T384T307-T345 CarbonylContact O-C 3.59Å; T307-T345 WeakPolarHBondContact O-CA 3.39Å; R343-T345 PolarHBondContact NE-OG1 3Å; T345-L347 HydrophobicContact CG2-CD2 3.42Å; T345-L347 VanDerWaalsContact CG2-CD2 3.42Å; T345-L347 HydrophobicContact CG2-CG 3.8Å; T345-R382 PolarHBondContact N-O 3.08Å; T345-T383 CarbonylContact O-C 3.54Å; T345-T383 WeakPolarHBondContact O-CA 3.39Å; T345-T384 PolarHBondContact O-N 2.92Å
346T80Confident75.2Confident35 Ų3546.9 Ų46.922%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-115.7119.8164.5-59.20000105.9T307 T308 L309 T384T307-T346 PolarHBondContact O-N 3.25Å; T308-T346 WeakPolarHBondContact CA-O 3.33Å; L309-T346 PolarHBondContact N-O 2.74Å; T346-T384 VanDerWaalsContact CA-O 3.29Å; T346-T384 WeakPolarHBondContact CA-O 3.31Å
347L74.4Confident74.1Confident17 Ų1747.9 Ų47.99%0.08926%0.258CS..EExtended strand (participates in β ladder)trans-103.9142.9-178.5-59.5173.1000108.2L309 T345 G351 T383 T384 L385 G386L309-L347 HydrophobicContact CB-CD2 4.24Å; L309-L347 HydrophobicContact CD1-CD2 3.36Å; L309-L347 HydrophobicContact CG-CD2 3.97Å; T345-L347 HydrophobicContact CG2-CD2 3.42Å; T345-L347 VanDerWaalsContact CG2-CD2 3.42Å; T345-L347 HydrophobicContact CG2-CG 3.8Å; L347-G351 WeakPolarHBondContact CD1-O 3.45Å; L347-T383 HydrophobicContact CD1-CG2 3.91Å; L347-T383 HydrophobicContact CG-CG2 4.36Å; L347-T384 PolarHBondContact N-O 3.14Å; L347-L385 HydrophobicContact CB-CD2 4.05Å; L347-L385 HydrophobicContact CD1-CD2 3.97Å; L347-G386 PolarHBondContact O-N 3.09Å
348G76.3Confident73.4Confident10 Ų1049 Ų4910%0.10326%0.264CS..  trans-69.9179.2159.500000110.8L309 L350 G351L309-G348 PolarHBondContact O-N 2.91Å; G348-L350 VanDerWaalsContact C-N 3.25Å; G348-L350 PolarHBondContact O-N 3.24Å; G348-G351 PolarHBondContact O-N 3.12Å
349P70.1Confident72.4Confident60 Ų6051.7 Ų51.739%0.3928%0.277SS..THydrogen-bonded Turntrans-54.6-34.2-17420.1-35.9000115.1P311 L388P311-P349 HydrophobicContact CB-CG 3.89Å; P349-L388 HydrophobicContact CB-CD2 3.55Å; P349-L388 HydrophobicContact CB-CG 4.5Å
350L71.6Confident71.6Confident118 Ų11852.2 Ų52.262%0.61828%0.28SS*.THydrogen-bonded Turntrans-121.714.2-178.2-58.2171.3000112.4P311 L312 G348 E352P311-L350 CarbonylContact O-C 3.56Å; P311-L350 WeakPolarHBondContact O-CA 3.33Å; P311-L350 WeakPolarHBondContact O-CB 3.3Å; P311-L350 PolarHBondContact O-N 2.88Å; L312-L350 HydrophobicContact CD2-CB 3.72Å; L312-L350 HydrophobicContact CD2-CD1 3.6Å; L312-L350 HydrophobicContact CD2-CG 4.32Å; G348-L350 VanDerWaalsContact C-N 3.25Å; G348-L350 PolarHBondContact O-N 3.24Å; L350-E352 PolarHBondContact O-N 3.16Å
351G69.7Low71.2Confident8 Ų852.9 Ų52.98%0.08229%0.289CS..  trans-77.1127.8-175.600000111.1P311 G313 L347 G348P311-G351 PolarHBondContact O-N 2.85Å; G313-G351 WeakPolarHBondContact O-CA 3.35Å; L347-G351 WeakPolarHBondContact CD1-O 3.45Å; G348-G351 PolarHBondContact O-N 3.12Å
352E73.4Confident70.9Confident119 Ų11953.9 Ų53.956%0.55630%0.296SS*.BIsolated β-bridgetrans-101.9147.4-179.1-62.1-159.8174.900112.7L309 G313 S315 L350L309-E352 WeakPolarHBondContact CD1-O 3.3Å; G313-E352 PolarHBondContact O-N 3.4Å; S315-E352 PolarHBondContact N-O 3.3Å; S315-E352 VanDerWaalsContact N-O 3.1Å; L350-E352 PolarHBondContact O-N 3.16Å
353S74.9Confident70.9Confident32 Ų3253.8 Ų53.822%0.22430%0.301CS..  trans-145.2103.7173.280.80000113.2S315 R343S315-S353 WeakPolarHBondContact O-CA 3.31Å; R343-S353 PolarHBondContact NH2-OG 2.91Å
354T72.9Confident70.8Confident72 Ų7254.1 Ų54.144%0.44231%0.306SS..  trans-95.6135.5-179-53.50000110.9S315 T317S315-T354 PolarHBondContact O-N 2.6Å; S315-T354 VanDerWaalsContact O-N 3.17Å; T317-T354 PolarHBondContact N-O 2.9Å
355T64.2Low70.7Confident33 Ų3352.5 Ų52.520%0.20231%0.307CS..  trans-136.1105.6170.335.50000108.3T317 R343T317-T355 WeakPolarHBondContact O-CA 3.31Å; T317-T355 WeakPolarHBondContact OG1-CG2 3.32Å; R343-T355 PolarHBondContact NH1-OG1 3.28Å
356P58Low70.6Confident66 Ų6653.8 Ų53.843%0.42931%0.314SS..  trans-62.2174.7168.2-20.934.9000112.7T317T317-P356 WeakPolarHBondContact O-CD 3.4Å
357G57.6Low70.3Confident58 Ų5859.7 Ų59.760%0.59834%0.337SS*.  trans-54.9160.8-176.600000114G319G319-G357 WeakPolarHBondContact CA-O 3.43Å
358E63.8Low70.2Confident26 Ų2665.6 Ų65.612%0.12136%0.364CS..  trans-123.1125.8174.5-61.8170.415500105.6E320 R339 R341 R379E320-E358 HydrophobicContact CB-CG 4.47Å; E320-E358 WeakPolarHBondContact O-CA 3.28Å; R339-E358 IonicContact CZ-OE1 3.1Å; R339-E358 IonicContact CZ-OE2 3.49Å; R339-E358 IonicContact NH1-OE1 3.17Å; R339-E358 IonicContact NH1-OE2 3.62Å; R339-E358 PolarHBondContact NH1-OE2 2.99Å; R339-E358 IonicContact NH2-OE1 2.79Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 3.41Å; R339-E358 PolarHBondContact NH2-OE2 2.76Å; R341-E358 IonicContact CZ-OE1 2.84Å; R341-E358 IonicContact NE-OE1 2.74Å; R341-E358 PolarHBondContact NE-OE1 2.88Å; R341-E358 IonicContact NH1-OE1 2.91Å; R341-E358 PolarHBondContact NH1-OE1 2.88Å; R341-E358 IonicContact NH1-OE2 3.39Å; R341-E358 IonicContact NH2-OE1 3.89Å; R341-E358 PolarHBondContact NH2-OE1 2.92Å; E358-R379 IonicContact OE2-CZ 3.79Å; E358-R379 IonicContact OE2-NE 2.83Å; E358-R379 IonicContact OE2-NH1 3.64Å; E358-R379 PolarHBondContact OE2-NH1 3.5Å; E358-R379 IonicContact OE2-NH2 2.61Å; E358-R379 PolarHBondContact OE2-NH2 3.05Å; E358-R379 VanDerWaalsContact OE2-NH2 3.11Å
359E61.6Low69.9Low137 Ų13767 Ų6764%0.6438%0.378SS*.EExtended strand (participates in β ladder)trans-104.8126.9177.5-58.8-16517800107.6E320 E321 E322E320-E359 PolarHBondContact O-N 2.89Å; E320-E359 VanDerWaalsContact O-N 3.1Å; E321-E359 VanDerWaalsContact CA-O 3.31Å; E321-E359 WeakPolarHBondContact CA-O 3.45Å; E321-E359 HydrophobicContact CG-CB 4.37Å; E322-E359 PolarHBondContact N-O 3.38Å
360E63.6Low70.2Confident18 Ų1868.3 Ų68.38%0.08439%0.385CS..EExtended strand (participates in β ladder)trans-140118.5-172-90.3156.7-136.300104.1E322 R339 R377 R379E322-E360 HydrophobicContact CB-CG 4.1Å; E322-E360 HydrophobicContact CG-CG 4.43Å; E322-E360 CarbonylContact O-C 3.55Å; E322-E360 WeakPolarHBondContact O-CA 3.14Å; R339-E360 WeakPolarHBondContact CD-OE1 3.18Å; R339-E360 WeakPolarHBondContact CD-OE2 3.4Å; R339-E360 IonicContact CZ-OE1 3.23Å; R339-E360 IonicContact NE-OE1 3.82Å; R339-E360 PolarHBondContact NE-OE1 3.31Å; R339-E360 IonicContact NH1-OE1 3.63Å; R339-E360 PolarHBondContact NH1-OE1 3.14Å; R339-E360 IonicContact NH1-OE2 2.81Å; R339-E360 IonicContact NH2-OE1 2.94Å; E360-R377 PolarHBondContact O-NH2 3.06Å; E360-R377 WeakPolarHBondContact OE2-CD 3.1Å; E360-R377 IonicContact OE2-CZ 3.68Å; E360-R377 IonicContact OE2-NE 3.03Å; E360-R377 PolarHBondContact OE2-NE 3.02Å; E360-R377 IonicContact OE2-NH1 2.57Å; E360-R377 PolarHBondContact OE2-NH1 3.5Å; E360-R377 IonicContact OE2-NH2 3.38Å; E360-R377 PolarHBondContact OE2-NH2 2.92Å; E360-R379 IonicContact OE1-NH2 3.01Å; E360-R379 PolarHBondContact OE1-NH2 3.3Å; E360-R379 IonicContact OE2-NH2 2.99Å; E360-R379 PolarHBondContact OE2-NH2 2.98Å
361L70.2Confident70.3Confident88 Ų8866 Ų6646%0.46138%0.376SS..EExtended strand (participates in β ladder)trans-137.5124.6-170.5-152.5108.8000109.4E322 L323 V324 N363E322-L361 PolarHBondContact O-N 3.33Å; L323-L361 WeakPolarHBondContact CA-O 3.2Å; L323-L361 HydrophobicContact CD1-CB 3.88Å; L323-L361 HydrophobicContact CD1-CD2 3.68Å; L323-L361 HydrophobicContact CD1-CG 4.4Å; L323-L361 WeakPolarHBondContact CD1-O 3.25Å; V324-L361 PolarHBondContact N-O 2.99Å; L361-N363 HydrophobicContact CD2-CB 4.31Å; L361-N363 WeakPolarHBondContact CD2-ND2 3.3Å; L361-N363 WeakPolarHBondContact CD2-OD1 3.46Å
362V72.2Confident70.6Confident37 Ų3768.3 Ų68.322%0.22439%0.388CS..EExtended strand (participates in β ladder)trans-108.298.7170.6-175.50000106.7V324 E337 V364V324-V362 HydrophobicContact CB-CG1 4.37Å; V324-V362 HydrophobicContact CB-CG2 4.49Å; V324-V362 CarbonylContact O-C 3.57Å; V324-V362 WeakPolarHBondContact O-CA 3.32Å; E337-V362 HydrophobicContact CB-CG2 3.68Å; V362-V364 HydrophobicContact CG1-CG2 3.7Å
363N79Confident70.6Confident73 Ų7364.9 Ų64.939%0.3939%0.385SS..EExtended strand (participates in β ladder)trans-91.9113.4174.6-86.5-4.5000108.9L323 V324 N325 V326 L361L323-N363 HydrophobicContact CD1-CB 4.44Å; V324-N363 PolarHBondContact O-N 3.03Å; N325-N363 WeakPolarHBondContact CA-O 3.45Å; N325-N363 PolarHBondContact OD1-O 2.9Å; V326-N363 PolarHBondContact N-O 2.87Å; L361-N363 HydrophobicContact CD2-CB 4.31Å; L361-N363 WeakPolarHBondContact CD2-ND2 3.3Å; L361-N363 WeakPolarHBondContact CD2-OD1 3.46Å
364V74.3Confident70.8Confident27 Ų2768.3 Ų68.316%0.16440%0.397CS..EExtended strand (participates in β ladder)trans-118.2110.2175.5-163.50000106.9V326 V333 V362 V371V326-V364 HydrophobicContact CB-CG1 4.4Å; V326-V364 WeakPolarHBondContact O-CA 3.41Å; V333-V364 HydrophobicContact CB-CG1 3.54Å; V333-V364 HydrophobicContact CG1-CG1 3.18Å; V362-V364 HydrophobicContact CG1-CG2 3.7Å; V364-V371 HydrophobicContact CB-CG1 3.64Å; V364-V371 HydrophobicContact CG1-CB 4.4Å; V364-V371 HydrophobicContact CG1-CG1 3.53Å; V364-V371 HydrophobicContact CG1-CG2 4.41Å
365T78Confident70.9Confident69 Ų6969.3 Ų69.342%0.42340%0.397SS..EExtended strand (participates in β ladder)trans-117.3124.6-177.6-53.20000109.1V326 T327 D328V326-T365 PolarHBondContact O-N 2.88Å; T327-T365 WeakPolarHBondContact CA-O 3.49Å; D328-T365 PolarHBondContact N-O 3.15Å
366D75.9Confident71.8Confident26 Ų2674.9 Ų74.914%0.13942%0.418CS..  trans-133.1141.1168.8-168.2-16.1000108D328 G331 V333 Q368 G369 V370 V371D328-D366 WeakPolarHBondContact O-CA 3.39Å; G331-D366 VanDerWaalsContact O-OD2 3.06Å; V333-D366 HydrophobicContact CG2-CB 3.73Å; D366-Q368 PolarHBondContact OD1-N 3.3Å; D366-G369 PolarHBondContact OD1-N 2.88Å; D366-G369 WeakPolarHBondContact OD2-CA 3.31Å; D366-G369 PolarHBondContact OD2-N 2.81Å; D366-V370 PolarHBondContact OD2-N 2.98Å; D366-V370 VanDerWaalsContact OD2-N 3.13Å; D366-V371 HydrophobicContact CB-CG2 3.37Å
367K73.7Confident72.7Confident159 Ų15976.8 Ų76.869%0.69142%0.417SS*.SBendtrans-88.9-23177-58.6-171.9175.2-166.70112.9K329K329-K367 WeakPolarHBondContact O-CB 3.28Å
368Q73.5Confident73.6Confident142 Ų14279.5 Ų79.566%0.66441%0.409SS*.SBendtrans-144.7-14.2-167.6-65.9-172.2-10.800115.4D366D366-Q368 PolarHBondContact OD1-N 3.3Å
369G70.6Confident74.2Confident39 Ų3982.9 Ų82.940%0.40242%0.421SS..SBendtrans-114.9-146-17400000115.2G331 D366G331-G369 VanDerWaalsContact O-CA 3.23Å; G331-G369 WeakPolarHBondContact O-CA 3.34Å; D366-G369 PolarHBondContact OD1-N 2.88Å; D366-G369 WeakPolarHBondContact OD2-CA 3.31Å; D366-G369 PolarHBondContact OD2-N 2.81Å
370V74.7Confident74.9Confident88 Ų8882.7 Ų82.753%0.53341%0.414SS..EExtended strand (participates in β ladder)trans-105.3122-169-178.90000110.8G331 V333 D366 V372G331-V370 PolarHBondContact O-N 3.47Å; G331-V370 VanDerWaalsContact O-N 3.12Å; V333-V370 PolarHBondContact N-O 3.44Å; D366-V370 PolarHBondContact OD2-N 2.98Å; D366-V370 VanDerWaalsContact OD2-N 3.13Å; V370-V372 HydrophobicContact CG1-CG2 4.28Å
371V73.6Confident75.5Confident70 Ų7088.2 Ų88.242%0.42443%0.434SS..EExtended strand (participates in β ladder)trans-104.1125.3178.81720000110.8V364 D366V364-V371 HydrophobicContact CB-CG1 3.64Å; V364-V371 HydrophobicContact CG1-CB 4.4Å; V364-V371 HydrophobicContact CG1-CG1 3.53Å; V364-V371 HydrophobicContact CG1-CG2 4.41Å; D366-V371 HydrophobicContact CB-CG2 3.37Å
372V76.3Confident75.8Confident56 Ų5691.4 Ų91.434%0.33944%0.44SS..EExtended strand (participates in β ladder)trans-128102.4171.3-175.50000110V333 V334 G335 V370 Q374V333-V372 PolarHBondContact O-N 2.99Å; V334-V372 WeakPolarHBondContact CA-O 3.46Å; V334-V372 HydrophobicContact CG2-CB 4.4Å; G335-V372 PolarHBondContact N-O 3.12Å; V370-V372 HydrophobicContact CG1-CG2 4.28Å; V372-Q374 HydrophobicContact CG1-CG 4.33Å
373G73.5Confident75.9Confident47 Ų4793.6 Ų93.649%0.48545%0.454SS..EExtended strand (participates in β ladder)trans-96.7131.1167.900000111G335G335-G373 CarbonylContact O-C 3.59Å; G335-G373 WeakPolarHBondContact O-CA 3.33Å
374Q79.1Confident76Confident104 Ų10492.6 Ų92.649%0.48645%0.45SS..EExtended strand (participates in β ladder)trans-133131.1170.7-67.6-171.4-0.100111.9G335 Q336 E337 V372G335-Q374 PolarHBondContact O-N 3.19Å; Q336-Q374 CarbonylContact C-O 3.52Å; Q336-Q374 VanDerWaalsContact CA-O 3.3Å; Q336-Q374 WeakPolarHBondContact CA-O 3.25Å; Q336-Q374 HydrophobicContact CG-CB 4.3Å; E337-Q374 PolarHBondContact N-O 2.89Å; V372-Q374 HydrophobicContact CG1-CG 4.33Å
375E76.5Confident75.8Confident93 Ų9397.3 Ų97.344%0.43547%0.474SS..EExtended strand (participates in β ladder)trans-123.8135.6176.4-178.7170.1-151.400111.4R377E375-R377 VanDerWaalsContact CD-NE 3.29Å; E375-R377 VanDerWaalsContact CD-NH2 3.33Å; E375-R377 HydrophobicContact CG-CG 4.22Å; E375-R377 IonicContact OE1-CZ 3.35Å; E375-R377 IonicContact OE1-NE 3.53Å; E375-R377 PolarHBondContact OE1-NE 3.43Å; E375-R377 IonicContact OE1-NH2 2.6Å; E375-R377 PolarHBondContact OE1-NH2 3.42Å; E375-R377 IonicContact OE2-CZ 3.16Å; E375-R377 IonicContact OE2-NE 2.78Å; E375-R377 IonicContact OE2-NH2 3.35Å; E375-R377 PolarHBondContact OE2-NH2 3.19Å
376K81.8Confident75.1Confident150 Ų15095.1 Ų95.165%0.65247%0.465SS*.EExtended strand (participates in β ladder)trans-138.2110.7176.2-172.4170.2-172158.40112.7E337 K338 R339E337-K376 PolarHBondContact O-N 3.04Å; K338-K376 HydrophobicContact CG-CB 4.24Å; R339-K376 PolarHBondContact N-O 3.03Å
377R77.2Confident74.2Confident106 Ų10698.2 Ų98.240%0.449%0.487SS..EExtended strand (participates in β ladder)trans-105.4144-179.7-59.2-178.2-175.9-171.2-2112.9R339 E360 E375R339-R377 CarbonylContact O-C 3.59Å; E360-R377 PolarHBondContact O-NH2 3.06Å; E360-R377 WeakPolarHBondContact OE2-CD 3.1Å; E360-R377 IonicContact OE2-CZ 3.68Å; E360-R377 IonicContact OE2-NE 3.03Å; E360-R377 PolarHBondContact OE2-NE 3.02Å; E360-R377 IonicContact OE2-NH1 2.57Å; E360-R377 PolarHBondContact OE2-NH1 3.5Å; E360-R377 IonicContact OE2-NH2 3.38Å; E360-R377 PolarHBondContact OE2-NH2 2.92Å; E375-R377 VanDerWaalsContact CD-NE 3.29Å; E375-R377 VanDerWaalsContact CD-NH2 3.33Å; E375-R377 HydrophobicContact CG-CG 4.22Å; E375-R377 IonicContact OE1-CZ 3.35Å; E375-R377 IonicContact OE1-NE 3.53Å; E375-R377 PolarHBondContact OE1-NE 3.43Å; E375-R377 IonicContact OE1-NH2 2.6Å; E375-R377 PolarHBondContact OE1-NH2 3.42Å; E375-R377 IonicContact OE2-CZ 3.16Å; E375-R377 IonicContact OE2-NE 2.78Å; E375-R377 IonicContact OE2-NH2 3.35Å; E375-R377 PolarHBondContact OE2-NH2 3.19Å
378R76.9Confident73.2Confident115 Ų11597.7 Ų97.743%0.43449%0.491SS..EExtended strand (participates in β ladder)trans-142.6109.1165.8-173.8176.5179.1178.66.5111.4R339 R340 R341 R380R339-R378 PolarHBondContact O-N 3.36Å; R340-R378 WeakPolarHBondContact CA-O 3.43Å; R340-R378 HydrophobicContact CG-CB 4.5Å; R341-R378 PolarHBondContact N-O 3.13Å; R378-R380 VanDerWaalsContact NH2-CZ 3.32Å
379R76.7Confident71.7Confident97 Ų97101.1 Ų101.137%0.36651%0.514SS..EExtended strand (participates in β ladder)trans-106.5141.9177.3-59.3-178.4-174.5-168.38.8110R339 R341 E358 E360R339-R379 VanDerWaalsContact NH1-NE 3.11Å; R341-R379 HydrophobicContact CB-CG 4.34Å; E358-R379 IonicContact OE2-CZ 3.79Å; E358-R379 IonicContact OE2-NE 2.83Å; E358-R379 IonicContact OE2-NH1 3.64Å; E358-R379 PolarHBondContact OE2-NH1 3.5Å; E358-R379 IonicContact OE2-NH2 2.61Å; E358-R379 PolarHBondContact OE2-NH2 3.05Å; E358-R379 VanDerWaalsContact OE2-NH2 3.11Å; E360-R379 IonicContact OE1-NH2 3.01Å; E360-R379 PolarHBondContact OE1-NH2 3.3Å; E360-R379 IonicContact OE2-NH2 2.99Å; E360-R379 PolarHBondContact OE2-NH2 2.98Å
380R76.5Confident71.8Confident132 Ų132104.3 Ų104.350%0.49852%0.519SS..EExtended strand (participates in β ladder)trans-138.9120.4168.4-70.4-171.7173.4-173.1-9108.3R341 R342 R343 R378R341-R380 PolarHBondContact O-N 3.45Å; R341-R380 VanDerWaalsContact O-N 3.07Å; R342-R380 CarbonylContact C-O 3.56Å; R342-R380 WeakPolarHBondContact CA-O 3.3Å; R342-R380 HydrophobicContact CG-CB 4.33Å; R343-R380 PolarHBondContact N-O 2.95Å; R378-R380 VanDerWaalsContact NH2-CZ 3.32Å
381R75.2Confident71.6Confident135 Ų135105.1 Ų105.151%0.50952%0.518SS..EExtended strand (participates in β ladder)trans-117.9139.6175.5-62.9-175.6177.9-171.31.7108R343R343-R381 HydrophobicContact CB-CG 4.32Å; R343-R381 WeakPolarHBondContact O-CA 3.3Å
382R77.2Confident71.5Confident155 Ų155107.1 Ų107.159%0.58552%0.524SS*.EExtended strand (participates in β ladder)trans-139.4116.8169.7-178.3173.7178174.41106.9R343 R344 T345R343-R382 PolarHBondContact O-N 2.56Å; R344-R382 CarbonylContact C-O 3.59Å; R344-R382 VanDerWaalsContact CA-O 3.29Å; R344-R382 WeakPolarHBondContact CA-O 3.38Å; T345-R382 PolarHBondContact N-O 3.08Å
383T74.3Confident71.2Confident83 Ų83110.1 Ų110.151%0.50954%0.535SS..EExtended strand (participates in β ladder)trans-104.2143.7170-54.80000107.3T345 L347T345-T383 CarbonylContact O-C 3.54Å; T345-T383 WeakPolarHBondContact O-CA 3.39Å; L347-T383 HydrophobicContact CD1-CG2 3.91Å; L347-T383 HydrophobicContact CG-CG2 4.36Å
384T80Confident71.1Confident51 Ų51114 Ų11431%0.31354%0.538SS..EExtended strand (participates in β ladder)trans-137.6121.5174.2-52.30000105.6T345 T346 L347T345-T384 PolarHBondContact O-N 2.92Å; T346-T384 VanDerWaalsContact CA-O 3.29Å; T346-T384 WeakPolarHBondContact CA-O 3.31Å; L347-T384 PolarHBondContact N-O 3.14Å
385L71.3Confident70.6Confident126 Ų126114.7 Ų114.766%0.6654%0.541SS*.EExtended strand (participates in β ladder)trans-80.6135.8172.8-58.9176.6000107.4L347L347-L385 HydrophobicContact CB-CD2 4.05Å; L347-L385 HydrophobicContact CD1-CD2 3.97Å
386G63.2Low70.1Confident24 Ų24116.2 Ų116.225%0.24755%0.549CS..PPolyproline II helixtrans-66.4162.4166.600000110.4L347L347-G386 PolarHBondContact O-N 3.09Å
387P57.5Low69.2Low90 Ų90113.6 Ų113.658%0.58454%0.541SS*.PPolyproline II helixtrans-59.2147171.727.3-33.1000110.6D389P387-D389 PolarHBondContact O-N 3.01Å
388L51.1Low68.6Low149 Ų149114.3 Ų114.378%0.7855%0.553SS**  trans-79.594.8157.8-67.5161.2000104.3P349P349-L388 HydrophobicContact CB-CD2 3.55Å; P349-L388 HydrophobicContact CB-CG 4.5Å
389D43.2Very low67.8Low214 Ų214114.2 Ų114.2100%1.14456%0.563SS**  trans-86.60168.6-70.6-26.2000109.3P387P387-D389 PolarHBondContact O-N 3.01Å

Retrieved 389 of 389 residues in 153.6 ms (Link to these results)