A0A1S3RQC6_SALSA Loading...

Transcriptional activator protein Pur-alpha

AlphaFold DB , UniProt , Accession A0A1S3RQC6, Species SALSA (Salmo salar, Atlantic salmon), Gene LOC106604399, Length 280 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
1M41.7Very low39.6Very low245 Ų245143.5 Ų143.5100%1.20784%0.836SS**  0129.10-99.6179.6163.200107.3
2A39.8Very low39Very low94 Ų94138.2 Ų138.278%0.77784%0.835SS**  trans65.3141.5170.600000117.6
3D43Very low38.6Very low146 Ų146140.5 Ų140.578%0.78184%0.839SS**  cis-171.1165.2-29-123-55.5000106.5
4R43.4Very low38.6Very low227 Ų227137.8 Ų137.886%0.85784%0.839SS**  trans-56.1149-177.1-70.8158156.8159.9-6116.3
5D40Very low38.5Very low150 Ų150137.9 Ų137.980%0.80284%0.84SS**  145135.599.2-155.112.6000113.5
6S45.1Very low38.4Very low114 Ų114133.4 Ų133.480%0.79783%0.83SS**  trans158.4109.2140.4-80.20000113.7
7G34.5Very low38.6Very low71 Ų71133.7 Ų133.773%0.73284%0.835SS**  trans56.7148132.800000120.6
8S39.6Very low38.3Very low121 Ų121130.1 Ų130.185%0.84683%0.828SS**  cis-179.6144.4-5.534.40000105.4
9D37.8Very low38.4Very low145 Ų145129.6 Ų129.678%0.77583%0.828SS**  trans-42.6144.6176.9-92.4-65.8000116.9
10H39.5Very low38.9Very low195 Ų195131.1 Ų131.190%0.90383%0.829SS**  -161.7111.1118.6-107.542.1000112.5
11G31.8Very low39.1Very low70 Ų70129.6 Ų129.672%0.72282%0.82SS**  trans-69.4136.4173.300000112.9
12G32.1Very low39.2Very low80 Ų80124.8 Ų124.883%0.82581%0.807SS**  trans-81.4124.6160.500000109.9
13L33.6Very low39.4Very low169 Ų169123 Ų12389%0.88580%0.797SS**  trans-116115.6161.2-87.6162000109
14A38.6Very low39.4Very low102 Ų102119.9 Ų119.984%0.84379%0.792SS**  trans-59.4132.8167.600000110.2
15T37.8Very low39.3Very low139 Ų139117.7 Ų117.785%0.85379%0.794SS**  trans-115.4125.2166.146.30000108.5
16G36.2Very low39.1Very low66 Ų66112.2 Ų112.268%0.6877%0.773SS**  trans-70.5-179.1-177.400000114.1G18G16-G18 PolarHBondContact O-N 3.2Å
17P41.3Very low38.9Very low139 Ų139110 Ų11090%0.90376%0.761SS**  trans-74.9102-172.931.2-31.1000109.8S19P17-S19 PolarHBondContact O-N 3Å
18G33.7Very low39.1Very low69 Ų69110 Ų11071%0.71175%0.754SS**  trans-67.7115168.600000110.5G16 L20G16-G18 PolarHBondContact O-N 3.2Å; G18-L20 PolarHBondContact O-N 3.33Å
19S40.9Very low39.1Very low120 Ų120106.5 Ų106.584%0.83973%0.733SS**  trans-46.8114.816540.80000111.7P17P17-S19 PolarHBondContact O-N 3Å
20L47.7Very low39Very low160 Ų160109.3 Ų109.384%0.83873%0.733SS**  trans-62.5139.6171.6-75.3151.3000110.3G18G18-L20 PolarHBondContact O-N 3.33Å
21P43.8Very low39.1Very low99 Ų99106.5 Ų106.564%0.64372%0.724SS**  trans-66.3137.3177.325.9-31.5000110.8G23P21-G23 PolarHBondContact O-N 2.98Å
22P43Very low39.8Very low145 Ų145110.5 Ų110.594%0.94272%0.723SS**THydrogen-bonded Turntrans-75.978.1178.531.7-32.5000109.4
23G43.7Very low40.4Very low55 Ų55114.5 Ų114.557%0.56772%0.721SS**THydrogen-bonded Turntrans-160.5-22.4-179.900000114.3P21P21-G23 PolarHBondContact O-N 2.98Å
24A42.8Very low41.6Very low82 Ų82112.3 Ų112.368%0.67871%0.71SS**SBendtrans-82.4-22.3-177.100000114.3G26A24-G26 VanDerWaalsContact C-N 3.33Å
25M42.6Very low43.4Very low180 Ų180109.8 Ų109.889%0.88768%0.684SS**SBendtrans-78.5-14.3175.4-86.5172.88200113.7
26G36Very low45.8Very low35 Ų35109.1 Ų109.136%0.36167%0.671SS.*Hα-helixtrans-81-23.8-178.700000114.6A24 A29 R30A24-G26 VanDerWaalsContact C-N 3.33Å; G26-A29 PolarHBondContact O-N 3.06Å; G26-R30 WeakPolarHBondContact O-CB 3.42Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 2.91Å
27A39.4Very low48.5Very low67 Ų67110.7 Ų110.755%0.55466%0.66SS**Hα-helixtrans-74.2-34.8-175.700000112.9
28A39.4Very low50.9Low71 Ų71106 Ų10659%0.58763%0.628SS**Hα-helixtrans-75.7-28.8175.300000112.7
29A38.6Very low53.8Low48 Ų48103.5 Ų103.540%0.39760%0.6SS.*Hα-helixtrans-77.7-35.5176.300000112.4G26 L31 Q32G26-A29 PolarHBondContact O-N 3.06Å; A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.01Å; A29-Q32 PolarHBondContact O-N 3.39Å; A29-Q32 VanDerWaalsContact O-N 3.11Å
30R37.4Very low56.4Low204 Ų204100.7 Ų100.777%0.7758%0.581SS**Hα-helixtrans-64.7-26.6179.8-82.5-174.8171.8-174.5-1.6114.6G26 Q32G26-R30 WeakPolarHBondContact O-CB 3.42Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 2.91Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 3.47Å
31L41Very low58.7Low137 Ų13797.9 Ų97.972%0.71756%0.562SS**THydrogen-bonded Turntrans-76.3-13.3175.1-74.5168.3000114A29A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.01Å
32Q45.4Very low61.2Low153 Ų15398.2 Ų98.272%0.71555%0.55SS**THydrogen-bonded Turntrans-84.1-21.5176-65.7-176.217.400112.5A29 R30 D34A29-Q32 PolarHBondContact O-N 3.39Å; A29-Q32 VanDerWaalsContact O-N 3.11Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 3.47Å; Q32-D34 PolarHBondContact O-N 3.4Å
33H45.5Very low63.8Low165 Ų16591.3 Ų91.376%0.76451%0.505SS*.THydrogen-bonded Turntrans-79.5-10.8-176.7-82.6-77.4000115.1
34D58.9Low66.2Low123 Ų12392.4 Ų92.466%0.65850%0.498SS*.THydrogen-bonded Turntrans-98.410177.7-80.6-9.9000113.5Q32Q32-D34 PolarHBondContact O-N 3.4Å
35T76.2Confident68.7Low48 Ų4888.8 Ų88.829%0.29447%0.467SS..  trans-113.3108178.2-55.50000110K55 Q56 N57 F62T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 3.95Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; T35-Q56 CarbonylContact C-O 3.54Å; T35-Q56 WeakPolarHBondContact CA-O 3.48Å; T35-N57 HydrophobicContact CG2-CB 4.4Å; T35-F62 HydrophobicContact CG2-CE1 3.99Å; T35-F62 HydrophobicContact CG2-CZ 3.8Å
36E87.9Confident70.9Confident125 Ų12585.5 Ų85.558%0.58445%0.45SS*.EExtended strand (participates in β ladder)trans-81.8138.2174.5-172.9176.7-177.600110.1L38 K55 Q56E36-L38 HydrophobicContact CG-CD2 4.18Å; E36-K55 CarbonylContact O-C 3.54Å; E36-K55 WeakPolarHBondContact O-CA 3.47Å; E36-K55 WeakPolarHBondContact O-CB 3.42Å; E36-Q56 PolarHBondContact N-O 2.89Å; E36-Q56 PolarHBondContact O-N 3.46Å
37E92.9Very high73.4Confident99 Ų9987.3 Ų87.346%0.46345%0.451SS..EExtended strand (participates in β ladder)trans-95.2117.4171.2-175.6170.612100109S40 K55E37-S40 WeakPolarHBondContact OE1-CB 3.41Å; E37-K55 HydrophobicContact CB-CG 4.45Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 IonicContact OE2-NZ 3.41Å; E37-K55 PolarHBondContact OE2-NZ 3.36Å
38L91.4Very high76Confident42 Ų4285.6 Ų85.622%0.2243%0.431CS..EExtended strand (participates in β ladder)trans-89.4-37.4-177.1-59.3-179000111.9E36 V54 Q56 R61 Y183E36-L38 HydrophobicContact CG-CD2 4.18Å; L38-V54 HydrophobicContact CB-CG1 4.32Å; L38-V54 HydrophobicContact CD1-CG1 4.23Å; L38-V54 PolarHBondContact N-O 3.32Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.38Å; L38-Q56 HydrophobicContact CG-CB 4.13Å; L38-R61 HydrophobicContact CD1-CG 4.11Å; L38-Y183 HydrophobicContact CB-CD1 3.98Å; L38-Y183 HydrophobicContact CB-CE1 3.94Å; L38-Y183 HydrophobicContact CD1-CD1 4.26Å; L38-Y183 PolarHBondContact O-OH 2.86Å
39A94.9Very high78.7Confident15 Ų1588.3 Ų88.312%0.12443%0.426CS..EExtended strand (participates in β ladder)trans-154.2150.6177.900000110.7D53 V54 L179 Y183A39-D53 CarbonylContact O-C 3.56Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; A39-V54 HydrophobicContact CB-CB 4.28Å; A39-V54 PolarHBondContact N-O 3.43Å; A39-V54 PolarHBondContact O-N 2.9Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4.01Å; A39-Y183 HydrophobicContact CB-CE1 4.33Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å
40S95.5Very high81.5Confident62 Ų6286 Ų8643%0.43441%0.407SS..EExtended strand (participates in β ladder)trans-135129.7168.1-176.20000109.6E37 L52 D53E37-S40 WeakPolarHBondContact OE1-CB 3.41Å; S40-L52 WeakPolarHBondContact CA-O 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.35Å; S40-D53 PolarHBondContact OG-OD1 3.35Å
41K96.8Very high84.3Confident101 Ų10179.6 Ų79.644%0.43938%0.384SS..EExtended strand (participates in β ladder)trans-120.9127174.6-177.764.3175.9-1770109.5V43 L52 A175 L179K41-V43 HydrophobicContact CG-CG2 4.38Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.31Å; K41-L52 PolarHBondContact O-N 2.85Å; K41-A175 HydrophobicContact CG-CB 3.97Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.49Å
42R96.6Very high87Confident106 Ų10673 Ų7340%0.435%0.349SS..EExtended strand (participates in β ladder)trans-96.7136.4171.8-179.2176.4164.7-168.3-13.5110.4D44 F50 Y51R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 IonicContact CZ-OD2 3.59Å; R42-D44 VanDerWaalsContact CZ-OD2 3.31Å; R42-D44 IonicContact NE-OD1 2.81Å; R42-D44 PolarHBondContact NE-OD1 2.94Å; R42-D44 IonicContact NE-OD2 3.62Å; R42-D44 PolarHBondContact NE-OD2 3.38Å; R42-D44 IonicContact NH2-OD1 3.31Å; R42-D44 PolarHBondContact NH2-OD1 3.07Å; R42-D44 IonicContact NH2-OD2 3.95Å; R42-D44 PolarHBondContact NH2-OD2 3.36Å; R42-F50 CarbonylContact C-O 3.43Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; R42-Y51 HydrophobicContact CB-CD1 4.3Å; R42-Y51 HydrophobicContact CB-CE1 4.34Å; R42-Y51 HydrophobicContact CG-CD1 4.39Å; R42-Y51 HydrophobicContact CG-CE1 4.12Å
43V96.4Very high89.5Confident0 Ų066.6 Ų66.60%032%0.32CS..EExtended strand (participates in β ladder)trans-128.9119.2175.4-172.50000108K41 I45 F50 L52 E171 A175K41-V43 HydrophobicContact CG-CG2 4.38Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.27Å; V43-F50 PolarHBondContact O-N 2.8Å; V43-L52 HydrophobicContact CG2-CD1 3.98Å; V43-E171 HydrophobicContact CG1-CB 4.3Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; V43-A175 HydrophobicContact CG2-CB 3.72Å
44D94.9Very high91.9Very high78 Ų7858.7 Ų58.742%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-102114.4-178.6-74.1-20.4000109.4R42 R49R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 IonicContact CZ-OD2 3.59Å; R42-D44 VanDerWaalsContact CZ-OD2 3.31Å; R42-D44 IonicContact NE-OD1 2.81Å; R42-D44 PolarHBondContact NE-OD1 2.94Å; R42-D44 IonicContact NE-OD2 3.62Å; R42-D44 PolarHBondContact NE-OD2 3.38Å; R42-D44 IonicContact NH2-OD1 3.31Å; R42-D44 PolarHBondContact NH2-OD1 3.07Å; R42-D44 IonicContact NH2-OD2 3.95Å; R42-D44 PolarHBondContact NH2-OD2 3.36Å; D44-R49 WeakPolarHBondContact OD1-CB 3.48Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å
45I93.9Very high93.5Very high6 Ų654.3 Ų54.33%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-125113.1-175.3-52.6169.9000108.6V43 N47 K48 F50 P165 F172V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; I45-N47 PolarHBondContact O-N 2.99Å; I45-K48 PolarHBondContact N-O 3.16Å; I45-K48 PolarHBondContact O-N 3.42Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.17Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; I45-P165 HydrophobicContact CB-CG 4.45Å; I45-P165 HydrophobicContact CG2-CB 3.72Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.36Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å
46Q89.9Confident94Very high110 Ų11055.5 Ų55.551%0.51426%0.261SS..THydrogen-bonded Turntrans52.4-117.8-174.3-58.6178.6-1300111.3P165Q46-P165 HydrophobicContact CG-CB 4.2Å; Q46-P165 HydrophobicContact CG-CG 4.36Å
47N88.9Confident93.6Very high74 Ų7451.6 Ų51.640%0.39624%0.244SC..THydrogen-bonded Turntrans-101.419.517973.2-25.1000113.1I45 A70 R138I45-N47 PolarHBondContact O-N 2.99Å; N47-A70 HydrophobicContact CB-CB 4.07Å; N47-A70 PolarHBondContact O-N 2.9Å; N47-A70 VanDerWaalsContact O-N 3.17Å; N47-R138 PolarHBondContact ND2-NH2 3.22Å; N47-R138 PolarHBondContact OD1-NH2 3.04Å
48K93.5Very high92.5Very high31 Ų3151 Ų5114%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-121.5146.9178.4-60.4-171.2178.5-165.60110.7I45 F50 E67 V68 A163 P165I45-K48 PolarHBondContact N-O 3.16Å; I45-K48 PolarHBondContact O-N 3.42Å; K48-F50 HydrophobicContact CB-CD2 4.44Å; K48-F50 HydrophobicContact CB-CE2 3.71Å; K48-F50 HydrophobicContact CB-CZ 4.17Å; K48-F50 HydrophobicContact CD-CE2 4.3Å; K48-F50 HydrophobicContact CD-CZ 4.01Å; K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.38Å; K48-E67 VanDerWaalsContact CE-OE1 3.31Å; K48-E67 WeakPolarHBondContact CE-OE1 3.48Å; K48-E67 IonicContact NZ-OE1 3.18Å; K48-E67 PolarHBondContact NZ-OE1 3.25Å; K48-V68 WeakPolarHBondContact CA-O 3.41Å; K48-A163 PolarHBondContact NZ-O 2.96Å; K48-P165 HydrophobicContact CD-CG 4.43Å
49R95.5Very high91.3Very high127 Ų12756.3 Ų56.348%0.47928%0.277SS..EExtended strand (participates in β ladder)trans-117.7126.7174.6-52-178.3174.9163.2-0.4108.5D44 Y51 V68D44-R49 WeakPolarHBondContact OD1-CB 3.48Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å; R49-Y51 HydrophobicContact CB-CE2 4.04Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.45Å; R49-V68 PolarHBondContact O-N 3.06Å
50F97.2Very high90.4Very high0 Ų057.3 Ų57.30%029%0.288CS..EExtended strand (participates in β ladder)trans-108.7132.2176.4-64.1-90.8000109.4R42 V43 I45 K48 L52 I65 A66 E67 L164 F172R42-F50 CarbonylContact C-O 3.43Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.27Å; V43-F50 PolarHBondContact O-N 2.8Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.17Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; K48-F50 HydrophobicContact CB-CD2 4.44Å; K48-F50 HydrophobicContact CB-CE2 3.71Å; K48-F50 HydrophobicContact CB-CZ 4.17Å; K48-F50 HydrophobicContact CD-CE2 4.3Å; K48-F50 HydrophobicContact CD-CZ 4.01Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; F50-I65 HydrophobicContact CD1-CG2 4.5Å; F50-A66 CarbonylContact C-O 3.59Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.41Å; F50-E67 HydrophobicContact CD1-CB 4.02Å; F50-E67 HydrophobicContact CD1-CG 4.31Å; F50-E67 HydrophobicContact CE1-CB 3.72Å; F50-E67 HydrophobicContact CE1-CG 3.65Å; F50-E67 HydrophobicContact CZ-CG 3.98Å; F50-L164 HydrophobicContact CE1-CD1 3.99Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.48Å; F50-L164 HydrophobicContact CZ-CD1 4.41Å; F50-L164 HydrophobicContact CZ-CG 4.01Å; F50-F172 HydrophobicContact CB-CD2 4.34Å; F50-F172 HydrophobicContact CB-CE2 3.91Å; F50-F172 HydrophobicContact CD1-CE2 4.02Å; F50-F172 HydrophobicContact CG-CD2 4.34Å; F50-F172 HydrophobicContact CG-CE2 4.01Å
51Y97.6Very high90.1Very high69 Ų6957.7 Ų57.727%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-113.5119.9173.3-60.6-95.9000108R42 R49 I65 A66 V68R42-Y51 HydrophobicContact CB-CD1 4.3Å; R42-Y51 HydrophobicContact CB-CE1 4.34Å; R42-Y51 HydrophobicContact CG-CD1 4.39Å; R42-Y51 HydrophobicContact CG-CE1 4.12Å; R49-Y51 HydrophobicContact CB-CE2 4.04Å; Y51-I65 CarbonylContact O-C 3.59Å; Y51-I65 VanDerWaalsContact O-CA 3.3Å; Y51-I65 WeakPolarHBondContact O-CA 3.38Å; Y51-A66 PolarHBondContact N-O 3.09Å; Y51-A66 PolarHBondContact O-N 3.18Å; Y51-V68 HydrophobicContact CD2-CG2 4.17Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å
52L97.6Very high89.9Confident0 Ų054.5 Ų54.50%027%0.266CS..EExtended strand (participates in β ladder)trans-106.598.5177.2-71.472.7000106.9S40 K41 V43 F50 L63 I65 F172 A175 L176 L179S40-L52 WeakPolarHBondContact CA-O 3.45Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.31Å; K41-L52 PolarHBondContact O-N 2.85Å; V43-L52 HydrophobicContact CG2-CD1 3.98Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; L52-L63 HydrophobicContact CB-CD1 4.28Å; L52-I65 HydrophobicContact CG-CG1 4.45Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.68Å; L52-F172 HydrophobicContact CD1-CZ 3.98Å; L52-F172 HydrophobicContact CD2-CE1 4.15Å; L52-F172 HydrophobicContact CD2-CE2 4.38Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.29Å; L52-F172 HydrophobicContact CG-CZ 4.07Å; L52-A175 HydrophobicContact CD2-CB 4.4Å; L52-L176 HydrophobicContact CD2-CB 4.34Å; L52-L179 HydrophobicContact CB-CD1 3.66Å; L52-L179 HydrophobicContact CD2-CD1 4.15Å
53D96.9Very high89.8Confident17 Ų1749.5 Ų49.59%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-102.8116.5-178.8-50.4-33.5000109.6A39 S40 K55 K64A39-D53 CarbonylContact O-C 3.56Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.35Å; S40-D53 PolarHBondContact OG-OD1 3.35Å; D53-K55 HydrophobicContact CB-CD 4.46Å; D53-K55 VanDerWaalsContact CB-CE 3.5Å; D53-K55 HydrophobicContact CB-CG 4.12Å; D53-K55 IonicContact OD2-NZ 3.98Å; D53-K64 HydrophobicContact CB-CB 4.42Å; D53-K64 PolarHBondContact N-O 3.24Å; D53-K64 PolarHBondContact O-N 3.37Å
54V95.6Very high89.8Confident0 Ų052.3 Ų52.30%026%0.26CS..EExtended strand (participates in β ladder)trans-82.5119.8167.1-177.90000107.5L38 A39 R61 L63 L179 Y183L38-V54 HydrophobicContact CB-CG1 4.32Å; L38-V54 HydrophobicContact CD1-CG1 4.23Å; L38-V54 PolarHBondContact N-O 3.32Å; A39-V54 HydrophobicContact CB-CB 4.28Å; A39-V54 PolarHBondContact N-O 3.43Å; A39-V54 PolarHBondContact O-N 2.9Å; V54-R61 HydrophobicContact CG1-CG 3.7Å; V54-L63 HydrophobicContact CG2-CD1 3.81Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.95Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; V54-Y183 HydrophobicContact CG1-CG 4.29Å
55K93.9Very high89.8Confident31 Ų3148.6 Ų48.614%0.13524%0.24CC..EExtended strand (participates in β ladder)trans-126.5153.2-178.7-56.3-168.5-165.5-104.60110.6T35 E36 E37 D53 R61 F62T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 3.95Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; E36-K55 CarbonylContact O-C 3.54Å; E36-K55 WeakPolarHBondContact O-CA 3.47Å; E36-K55 WeakPolarHBondContact O-CB 3.42Å; E37-K55 HydrophobicContact CB-CG 4.45Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 IonicContact OE2-NZ 3.41Å; E37-K55 PolarHBondContact OE2-NZ 3.36Å; D53-K55 HydrophobicContact CB-CD 4.46Å; D53-K55 VanDerWaalsContact CB-CE 3.5Å; D53-K55 HydrophobicContact CB-CG 4.12Å; D53-K55 IonicContact OD2-NZ 3.98Å; K55-R61 CarbonylContact O-C 3.55Å; K55-R61 WeakPolarHBondContact O-CA 3.11Å; K55-F62 HydrophobicContact CB-CD1 4.46Å; K55-F62 HydrophobicContact CB-CE1 3.82Å; K55-F62 HydrophobicContact CB-CE2 3.95Å; K55-F62 HydrophobicContact CB-CZ 3.57Å; K55-F62 HydrophobicContact CD-CE2 4.43Å; K55-F62 HydrophobicContact CD-CZ 4.28Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.16Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 3.09Å; K55-F62 VanDerWaalsContact O-O 3.13Å
56Q86.6Confident89.9Confident73 Ų7349.4 Ų49.434%0.34125%0.247SC..EExtended strand (participates in β ladder)trans-124.7132.3177.7-178.5164.3-25.600109.4T35 E36 L38T35-Q56 CarbonylContact C-O 3.54Å; T35-Q56 WeakPolarHBondContact CA-O 3.48Å; E36-Q56 PolarHBondContact N-O 2.89Å; E36-Q56 PolarHBondContact O-N 3.46Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.38Å; L38-Q56 HydrophobicContact CG-CB 4.13Å
57N79.6Confident90.2Very high43 Ų4345 Ų4523%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-132.1-178.2171.464.325.9000109.6T35 K59 G60 F62T35-N57 HydrophobicContact CG2-CB 4.4Å; N57-K59 PolarHBondContact O-N 3.2Å; N57-K59 WeakPolarHBondContact OD1-CA 3.36Å; N57-K59 WeakPolarHBondContact OD1-CB 3.46Å; N57-K59 PolarHBondContact OD1-N 3.29Å; N57-G60 PolarHBondContact N-O 3.38Å; N57-G60 VanDerWaalsContact N-O 3.09Å; N57-G60 PolarHBondContact O-N 2.91Å; N57-G60 PolarHBondContact OD1-N 3.04Å; N57-G60 PolarHBondContact OD1-O 3.48Å; N57-F62 HydrophobicContact CB-CE1 4.19Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.48Å
58A68.8Low90.4Very high85 Ų8543.2 Ų43.270%0.70222%0.218SC*.THydrogen-bonded Turntrans-58.7-11.5176.800000115.1
59K66.4Low90.2Very high155 Ų15542.4 Ų42.467%0.67422%0.219SC*.THydrogen-bonded Turntrans-92.7-8.5174.9-50.9-173.9176.1175.80113.1N57 K213N57-K59 PolarHBondContact O-N 3.2Å; N57-K59 WeakPolarHBondContact OD1-CA 3.36Å; N57-K59 WeakPolarHBondContact OD1-CB 3.46Å; N57-K59 PolarHBondContact OD1-N 3.29Å; K59-K213 HydrophobicContact CB-CD 4.18Å; K59-K213 HydrophobicContact CG-CD 3.74Å
60G77.3Confident89.1Confident35 Ų3540 Ų4036%0.36123%0.226SC..EExtended strand (participates in β ladder)trans118.5-172.4-174.200000112.6N57N57-G60 PolarHBondContact N-O 3.38Å; N57-G60 VanDerWaalsContact N-O 3.09Å; N57-G60 PolarHBondContact O-N 2.91Å; N57-G60 PolarHBondContact OD1-N 3.04Å; N57-G60 PolarHBondContact OD1-O 3.48Å
61R87.9Confident88Confident71 Ų7143.4 Ų43.427%0.26826%0.261SS..EExtended strand (participates in β ladder)trans-85.9142.8-179.4-166.1177.6-69164.4-1.4110.9L38 V54 K55 M81 Y183 G184 V185L38-R61 HydrophobicContact CD1-CG 4.11Å; V54-R61 HydrophobicContact CG1-CG 3.7Å; K55-R61 CarbonylContact O-C 3.55Å; K55-R61 WeakPolarHBondContact O-CA 3.11Å; R61-M81 HydrophobicContact CB-CG 4.08Å; R61-M81 HydrophobicContact CG-CG 4Å; R61-M81 HydrophobicContact CG-SD 4.34Å; R61-Y183 WeakPolarHBondContact CD-O 3.43Å; R61-Y183 VanDerWaalsContact NH1-C 3.29Å; R61-Y183 PolarHBondContact NH1-O 3.31Å; R61-G184 PolarHBondContact NH1-O 2.82Å; R61-V185 HydrophobicContact CB-CG2 3.84Å
62F92.1Very high86.9Confident34 Ų3442.5 Ų42.515%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-149.8157.2-179.567.6-87.1000111T35 K55 N57 K64 T78 L79T35-F62 HydrophobicContact CG2-CE1 3.99Å; T35-F62 HydrophobicContact CG2-CZ 3.8Å; K55-F62 HydrophobicContact CB-CD1 4.46Å; K55-F62 HydrophobicContact CB-CE1 3.82Å; K55-F62 HydrophobicContact CB-CE2 3.95Å; K55-F62 HydrophobicContact CB-CZ 3.57Å; K55-F62 HydrophobicContact CD-CE2 4.43Å; K55-F62 HydrophobicContact CD-CZ 4.28Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.16Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 3.09Å; K55-F62 VanDerWaalsContact O-O 3.13Å; N57-F62 HydrophobicContact CB-CE1 4.19Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.48Å; F62-K64 HydrophobicContact CE2-CB 4.35Å; F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.04Å; F62-T78 HydrophobicContact CG-CG2 4.48Å; F62-L79 WeakPolarHBondContact CB-O 3.43Å
63L94.9Very high86.3Confident1 Ų148.4 Ų48.41%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-103.4129.3176.6-176.472.2000110L52 V54 I65 T78 L79 M81 A84 L176 L179L52-L63 HydrophobicContact CB-CD1 4.28Å; V54-L63 HydrophobicContact CG2-CD1 3.81Å; L63-I65 HydrophobicContact CD2-CD1 4.11Å; L63-I65 HydrophobicContact CD2-CG1 4.01Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; L63-T78 WeakPolarHBondContact O-CA 3.14Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 3.05Å; L63-L79 PolarHBondContact O-N 3.46Å; L63-M81 HydrophobicContact CB-SD 4.36Å; L63-A84 HydrophobicContact CD2-CB 4.17Å; L63-L176 HydrophobicContact CD2-CD1 3.29Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å
64K96Very high86Confident59 Ų5955.7 Ų55.726%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-110.8119.2172.1-174.5-173.1176.6-166.70109.3D53 F62D53-K64 HydrophobicContact CB-CB 4.42Å; D53-K64 PolarHBondContact N-O 3.24Å; D53-K64 PolarHBondContact O-N 3.37Å; F62-K64 HydrophobicContact CE2-CB 4.35Å
65I96.6Very high85.8Confident0 Ų058 Ų580%035%0.351CS..EExtended strand (participates in β ladder)trans-103.4120.9176.1-56.7163.3000107.8F50 Y51 L52 L63 R76 L77 L79 F87 I162 F172F50-I65 HydrophobicContact CD1-CG2 4.5Å; Y51-I65 CarbonylContact O-C 3.59Å; Y51-I65 VanDerWaalsContact O-CA 3.3Å; Y51-I65 WeakPolarHBondContact O-CA 3.38Å; L52-I65 HydrophobicContact CG-CG1 4.45Å; L63-I65 HydrophobicContact CD2-CD1 4.11Å; L63-I65 HydrophobicContact CD2-CG1 4.01Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.24Å; I65-R76 WeakPolarHBondContact O-CA 3.45Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.43Å; I65-L77 PolarHBondContact N-O 3.46Å; I65-L77 PolarHBondContact O-N 3.07Å; I65-L79 HydrophobicContact CD1-CD1 3.73Å; I65-L79 HydrophobicContact CD1-CG 4.38Å; I65-F87 HydrophobicContact CD1-CE1 4.19Å; I65-I162 HydrophobicContact CB-CD1 4.37Å; I65-I162 HydrophobicContact CG2-CD1 3.72Å; I65-F172 HydrophobicContact CD1-CE1 4.45Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.35Å; I65-F172 HydrophobicContact CG2-CE2 4.23Å; I65-F172 HydrophobicContact CG2-CZ 3.85Å
66A95.9Very high85.7Confident22 Ų2263.2 Ų63.218%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-111.6127.7172.400000110.3F50 Y51 S75F50-A66 CarbonylContact C-O 3.59Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.41Å; Y51-A66 PolarHBondContact N-O 3.09Å; Y51-A66 PolarHBondContact O-N 3.18Å; A66-S75 CarbonylContact C-O 3.58Å; A66-S75 WeakPolarHBondContact CA-O 3.32Å
67E94.9Very high86.1Confident19 Ų1959.8 Ų59.89%0.08935%0.354CS..EExtended strand (participates in β ladder)trans-97.9129.4169.8177.7-174.4158.500108.9K48 F50 K74 S75 I162 A163K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.38Å; K48-E67 VanDerWaalsContact CE-OE1 3.31Å; K48-E67 WeakPolarHBondContact CE-OE1 3.48Å; K48-E67 IonicContact NZ-OE1 3.18Å; K48-E67 PolarHBondContact NZ-OE1 3.25Å; F50-E67 HydrophobicContact CD1-CB 4.02Å; F50-E67 HydrophobicContact CD1-CG 4.31Å; F50-E67 HydrophobicContact CE1-CB 3.72Å; F50-E67 HydrophobicContact CE1-CG 3.65Å; F50-E67 HydrophobicContact CZ-CG 3.98Å; E67-K74 VanDerWaalsContact O-CA 3.32Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; E67-S75 PolarHBondContact N-O 3.42Å; E67-S75 PolarHBondContact O-N 3.13Å; E67-I162 HydrophobicContact CB-CB 4.39Å; E67-I162 HydrophobicContact CB-CG2 4.02Å; E67-I162 WeakPolarHBondContact OE2-CA 3.36Å; E67-I162 WeakPolarHBondContact OE2-CB 3.46Å; E67-A163 PolarHBondContact OE2-N 3.43Å
68V94.4Very high86.6Confident36 Ų3659.6 Ų59.622%0.21836%0.355CS..EExtended strand (participates in β ladder)trans-120.4111170.7-174.20000108.3K48 R49 Y51 K74K48-V68 WeakPolarHBondContact CA-O 3.41Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.45Å; R49-V68 PolarHBondContact O-N 3.06Å; Y51-V68 HydrophobicContact CD2-CG2 4.17Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å; V68-K74 HydrophobicContact CG2-CG 4.33Å
69G87.9Confident87.7Confident14 Ų1455.8 Ų55.814%0.14432%0.322CS..EExtended strand (participates in β ladder)trans-85.2161.6176.400000113.1G71 G72 N73G69-G71 PolarHBondContact O-N 2.96Å; G69-G71 VanDerWaalsContact O-N 3.09Å; G69-G72 PolarHBondContact O-N 2.95Å; G69-N73 PolarHBondContact N-O 3.47Å
70A73Confident88.9Confident77 Ų7750.5 Ų50.564%0.63631%0.305SS*.THydrogen-bonded Turntrans-54.5-27.1177.800000115N47 G72N47-A70 HydrophobicContact CB-CB 4.07Å; N47-A70 PolarHBondContact O-N 2.9Å; N47-A70 VanDerWaalsContact O-N 3.17Å; A70-G72 VanDerWaalsContact C-N 3.31Å; A70-G72 PolarHBondContact O-N 3Å
71G74.1Confident89.5Confident70 Ų7049.4 Ų49.472%0.72229%0.291SS*.THydrogen-bonded Turntrans-8712.3177.400000115G69 N73G69-G71 PolarHBondContact O-N 2.96Å; G69-G71 VanDerWaalsContact O-N 3.09Å; G71-N73 PolarHBondContact O-N 3.31Å
72G75.5Confident89.5Confident51 Ų5147.7 Ų47.753%0.52629%0.29SS..SBendtrans77.9-3.9-177.800000114.8G69 A70 K74G69-G72 PolarHBondContact O-N 2.95Å; A70-G72 VanDerWaalsContact C-N 3.31Å; A70-G72 PolarHBondContact O-N 3Å; G72-K74 PolarHBondContact O-N 3.45Å
73N84.2Confident89.4Confident124 Ų12446.2 Ų46.266%0.66328%0.283SS*.  trans-61.9123.6173.4-69.9-20000109.9G69 G71G69-N73 PolarHBondContact N-O 3.47Å; G71-N73 PolarHBondContact O-N 3.31Å
74K89.9Confident89.4Confident170 Ų17046.1 Ų46.174%0.73928%0.283SS*.EExtended strand (participates in β ladder)trans-110.4129.3176.9-62-178.1-174.9176.80109.1E67 V68 G72E67-K74 VanDerWaalsContact O-CA 3.32Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; V68-K74 HydrophobicContact CG2-CG 4.33Å; G72-K74 PolarHBondContact O-N 3.45Å
75S91.8Very high89.2Confident47 Ų4745.8 Ų45.833%0.32929%0.285SS..EExtended strand (participates in β ladder)trans-127.5153.3172.4-57.90000109A66 E67 T161A66-S75 CarbonylContact C-O 3.58Å; A66-S75 WeakPolarHBondContact CA-O 3.32Å; E67-S75 PolarHBondContact N-O 3.42Å; E67-S75 PolarHBondContact O-N 3.13Å; S75-T161 WeakPolarHBondContact CB-O 3.41Å
76R92.5Very high89Confident141 Ų14149 Ų4953%0.53230%0.3SS..EExtended strand (participates in β ladder)trans-140.1150-178.373.6179.5-175.8-176.60.2110.9I65 Q160I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.24Å; I65-R76 WeakPolarHBondContact O-CA 3.45Å; R76-Q160 VanDerWaalsContact O-CB 3.3Å; R76-Q160 WeakPolarHBondContact O-CB 3.36Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å
77L93.4Very high89Confident1 Ų148.3 Ų48.31%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-132.1143.5172.6-175.964.6000108.1I65 L79 Y129 I144 Q146 Q160 I162I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.43Å; I65-L77 PolarHBondContact N-O 3.46Å; I65-L77 PolarHBondContact O-N 3.07Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.76Å; L77-L79 HydrophobicContact CG-CG 4.29Å; L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.1Å; L77-I144 HydrophobicContact CD2-CB 4.44Å; L77-I144 HydrophobicContact CD2-CG2 3.65Å; L77-Q146 HydrophobicContact CD1-CB 3.55Å; L77-Q146 HydrophobicContact CD1-CG 4.39Å; L77-Q160 HydrophobicContact CD1-CB 4.33Å; L77-I162 HydrophobicContact CB-CD1 4.16Å; L77-I162 HydrophobicContact CB-CG2 4.24Å; L77-I162 HydrophobicContact CD2-CD1 3.8Å; L77-I162 HydrophobicContact CD2-CG1 4.17Å
78T91.4Very high89Confident40 Ų4050.8 Ų50.825%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-128.9122.9177.6-54.90000109.3F62 L63 Y129 Q146F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.04Å; F62-T78 HydrophobicContact CG-CG2 4.48Å; L63-T78 WeakPolarHBondContact O-CA 3.14Å; T78-Y129 PolarHBondContact O-OH 2.9Å; T78-Q146 PolarHBondContact O-OE1 3.07Å; T78-Q146 VanDerWaalsContact O-OE1 3.13Å
79L91.8Very high89.1Confident4 Ų452.7 Ų52.72%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-117.7144.6-174.7-52-177.3000109.6F62 L63 I65 L77 V83 F87 Y129F62-L79 WeakPolarHBondContact CB-O 3.43Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 3.05Å; L63-L79 PolarHBondContact O-N 3.46Å; I65-L79 HydrophobicContact CD1-CD1 3.73Å; I65-L79 HydrophobicContact CD1-CG 4.38Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.76Å; L77-L79 HydrophobicContact CG-CG 4.29Å; L79-V83 HydrophobicContact CB-CB 4.46Å; L79-V83 HydrophobicContact CB-CG1 4.12Å; L79-V83 HydrophobicContact CD1-CG1 4.48Å; L79-V83 HydrophobicContact CD2-CG1 3.87Å; L79-V83 HydrophobicContact CG-CG1 4.38Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.38Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.23Å
80S90.4Very high89.5Confident45 Ų4554.6 Ų54.632%0.31531%0.314SS..EExtended strand (participates in β ladder)trans-68.4159.7160.362.60000109.4S82 V83 A84S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.42Å; S80-S82 PolarHBondContact OG-OG 3.2Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-V83 WeakPolarHBondContact OG-CB 3.49Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 3.47Å; S80-A84 PolarHBondContact O-N 3.15Å
81M90.2Very high90.6Very high12 Ų1251 Ų516%0.05928%0.284CS..Hα-helixtrans-61.1-38.9175.7-69.8-54.6-62.400111.9R61 L63 V83 A84 V85 I180 V185R61-M81 HydrophobicContact CB-CG 4.08Å; R61-M81 HydrophobicContact CG-CG 4Å; R61-M81 HydrophobicContact CG-SD 4.34Å; L63-M81 HydrophobicContact CB-SD 4.36Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 3.2Å; M81-A84 WeakPolarHBondContact O-CA 3.48Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.49Å; M81-A84 PolarHBondContact O-N 2.97Å; M81-V85 PolarHBondContact O-N 2.82Å; M81-V85 VanDerWaalsContact O-N 3.12Å; M81-I180 HydrophobicContact CE-CG1 4.19Å; M81-V185 HydrophobicContact CB-CG2 4.18Å; M81-V185 HydrophobicContact CG-CG2 4.05Å
82S87.9Confident91.6Very high35 Ų3548.3 Ų48.325%0.24526%0.257CS..Hα-helixtrans-57.1-45.2174.671.40000112.5S80 A84 V85 E86S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.42Å; S80-S82 PolarHBondContact OG-OG 3.2Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.29Å; S82-V85 PolarHBondContact O-N 2.91Å; S82-E86 PolarHBondContact O-N 3.36Å
83V91.3Very high92.6Very high2 Ų249.1 Ų49.11%0.01225%0.249CC..Hα-helixtrans-68.1-31.2177.6166.50000111L79 S80 M81 V85 F87 L122 R124 Y129L79-V83 HydrophobicContact CB-CB 4.46Å; L79-V83 HydrophobicContact CB-CG1 4.12Å; L79-V83 HydrophobicContact CD1-CG1 4.48Å; L79-V83 HydrophobicContact CD2-CG1 3.87Å; L79-V83 HydrophobicContact CG-CG1 4.38Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-V83 WeakPolarHBondContact OG-CB 3.49Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 3.47Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 3.2Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-F87 WeakPolarHBondContact O-CB 3.43Å; V83-F87 PolarHBondContact O-N 2.81Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.22Å; V83-R124 HydrophobicContact CG2-CB 3.67Å; V83-R124 HydrophobicContact CG2-CG 3.74Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 3.99Å; V83-Y129 HydrophobicContact CG2-CE2 4.32Å
84A93.9Very high93.2Very high0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-65.5-36.8176.300000112L63 S80 M81 S82 F87 R88 L176 I180L63-A84 HydrophobicContact CD2-CB 4.17Å; S80-A84 PolarHBondContact O-N 3.15Å; M81-A84 WeakPolarHBondContact O-CA 3.48Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.49Å; M81-A84 PolarHBondContact O-N 2.97Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.29Å; A84-F87 PolarHBondContact O-N 2.94Å; A84-R88 PolarHBondContact O-N 2.89Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; A84-I180 HydrophobicContact CB-CD1 4.22Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.17Å
85V92Very high93.5Very high51 Ų5136 Ų3631%0.30919%0.187SC..Hα-helixtrans-62-55.3174.2-179.70000110.8M81 S82 V83 F87 R88 D89 I180M81-V85 PolarHBondContact O-N 2.82Å; M81-V85 VanDerWaalsContact O-N 3.12Å; S82-V85 PolarHBondContact O-N 2.91Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.34Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.93Å; V85-D89 PolarHBondContact O-N 3.2Å; V85-D89 VanDerWaalsContact O-N 3.15Å; V85-I180 HydrophobicContact CG2-CD1 4.39Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å
86E93.3Very high93.7Very high68 Ų6839.8 Ų39.832%0.31820%0.199SC..Hα-helixtrans-59.3-39.8178.3-63.5-179.6-10200111S82 R88 D89 Y90 L122S82-E86 PolarHBondContact O-N 3.36Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.64Å; E86-D89 PolarHBondContact O-N 3.36Å; E86-Y90 HydrophobicContact CB-CE2 4.48Å; E86-Y90 WeakPolarHBondContact O-CD2 3.2Å; E86-Y90 PolarHBondContact O-N 2.76Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.5Å
87F94.9Very high93.8Very high7 Ų735.4 Ų35.43%0.03119%0.185CC..Hα-helixtrans-63.2-37.6176.6179.1-129.1000112.8I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176I65-F87 HydrophobicContact CD1-CE1 4.19Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.38Å; V83-F87 WeakPolarHBondContact O-CB 3.43Å; V83-F87 PolarHBondContact O-N 2.81Å; A84-F87 PolarHBondContact O-N 2.94Å; V85-F87 PolarHBondContact O-N 3.34Å; F87-D89 VanDerWaalsContact C-N 3.32Å; F87-Y90 PolarHBondContact O-N 3.09Å; F87-L91 HydrophobicContact CD1-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.34Å; F87-L91 HydrophobicContact CE1-CD1 3.95Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.97Å; F87-L91 HydrophobicContact CE2-CG 3.89Å; F87-L91 HydrophobicContact CZ-CD1 3.83Å; F87-L91 HydrophobicContact CZ-CD2 3.95Å; F87-L91 HydrophobicContact CZ-CG 3.95Å; F87-L91 VanDerWaalsContact O-CG 3.32Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.36Å; F87-M131 HydrophobicContact CD2-SD 3.63Å; F87-M131 HydrophobicContact CE2-SD 3.91Å; F87-I144 HydrophobicContact CE1-CD1 4.38Å; F87-I144 HydrophobicContact CE2-CD1 3.6Å; F87-I144 HydrophobicContact CE2-CG1 4.16Å; F87-I144 HydrophobicContact CZ-CD1 3.31Å; F87-I144 HydrophobicContact CZ-CG1 4.33Å; F87-F172 AromaticContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CZ-CE1 4.38Å; F87-L176 HydrophobicContact CD1-CD2 3.61Å; F87-L176 HydrophobicContact CE1-CD2 4.06Å; F87-L176 HydrophobicContact CG-CD2 4.45Å
88R96.1Very high93.7Very high71 Ų7138.2 Ų38.227%0.26820%0.196SC..Hα-helixtrans-60.6-42.9173.4-177.5-79.1-55.3-1023.4111.1A84 V85 E86 L91 G92 R173 L176 A177 I180A84-R88 PolarHBondContact O-N 2.89Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.93Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.64Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.3Å; R88-G92 PolarHBondContact O-N 2.8Å; R88-R173 HydrophobicContact CG-CG 4.15Å; R88-L176 HydrophobicContact CB-CD2 3.89Å; R88-L176 HydrophobicContact CB-CG 4.24Å; R88-A177 HydrophobicContact CG-CB 4.09Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å
89D95.1Very high93.8Very high77 Ų7740.3 Ų40.341%0.41222%0.217SC..Hα-helixtrans-66.4-47.4-179.9-59.1-22.3000110.7V85 E86 F87 L91 G92 D93V85-D89 PolarHBondContact O-N 3.2Å; V85-D89 VanDerWaalsContact O-N 3.15Å; E86-D89 PolarHBondContact O-N 3.36Å; F87-D89 VanDerWaalsContact C-N 3.32Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 2.96Å; D89-G92 WeakPolarHBondContact O-CA 3.22Å; D89-G92 PolarHBondContact O-N 2.95Å; D89-D93 PolarHBondContact O-N 2.9Å
90Y96.1Very high93.8Very high54 Ų5447.4 Ų47.421%0.21225%0.25CS..Hα-helixtrans-59.1-36.5174.4-76.8-61.3000113.1E86 F87 G92 D93 F94 E120 L122 M131E86-Y90 HydrophobicContact CB-CE2 4.48Å; E86-Y90 WeakPolarHBondContact O-CD2 3.2Å; E86-Y90 PolarHBondContact O-N 2.76Å; F87-Y90 PolarHBondContact O-N 3.09Å; Y90-G92 PolarHBondContact O-N 3.44Å; Y90-D93 PolarHBondContact O-N 2.88Å; Y90-F94 WeakPolarHBondContact O-CD2 3.2Å; Y90-F94 PolarHBondContact O-N 3.13Å; Y90-E120 HydrophobicContact CD1-CB 4.07Å; Y90-E120 HydrophobicContact CD1-CG 3.94Å; Y90-E120 HydrophobicContact CE1-CB 4.13Å; Y90-E120 HydrophobicContact CE1-CG 4.1Å; Y90-L122 HydrophobicContact CE2-CB 4.35Å; Y90-M131 HydrophobicContact CD1-CE 4.4Å; Y90-M131 HydrophobicContact CD2-CE 3.6Å; Y90-M131 HydrophobicContact CD2-SD 4.47Å; Y90-M131 HydrophobicContact CE2-CE 4.05Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.46Å
91L96.5Very high93.6Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-59.5-37.6173.4-75.4173000111.4F87 R88 D89 F94 I95 L142 L169 F172 R173 L176F87-L91 HydrophobicContact CD1-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.34Å; F87-L91 HydrophobicContact CE1-CD1 3.95Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.97Å; F87-L91 HydrophobicContact CE2-CG 3.89Å; F87-L91 HydrophobicContact CZ-CD1 3.83Å; F87-L91 HydrophobicContact CZ-CD2 3.95Å; F87-L91 HydrophobicContact CZ-CG 3.95Å; F87-L91 VanDerWaalsContact O-CG 3.32Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.36Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.3Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 2.96Å; L91-F94 PolarHBondContact O-N 3.31Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.1Å; L91-I95 PolarHBondContact O-N 2.78Å; L91-L142 HydrophobicContact CD2-CD2 3.6Å; L91-L169 HydrophobicContact CD2-CD2 3.85Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.05Å
92G95.9Very high93.1Very high15 Ų1549.2 Ų49.216%0.15527%0.268CS..Hα-helixtrans-55.4-52.9170.600000111.8R88 D89 Y90 F94 I95 E96R88-G92 PolarHBondContact O-N 2.8Å; D89-G92 WeakPolarHBondContact O-CA 3.22Å; D89-G92 PolarHBondContact O-N 2.95Å; Y90-G92 PolarHBondContact O-N 3.44Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.04Å; G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 2.98Å; G92-E96 PolarHBondContact O-N 2.87Å
93D96.3Very high92.5Very high67 Ų6753.3 Ų53.336%0.35829%0.293SS..Hα-helixtrans-61.8-33.2179.7-60.2-20.1000113.2D89 Y90 H97 K118D89-D93 PolarHBondContact O-N 2.9Å; Y90-D93 PolarHBondContact O-N 2.88Å; D93-H97 WeakPolarHBondContact O-CB 3.16Å; D93-H97 PolarHBondContact O-N 2.81Å; D93-K118 PolarHBondContact O-NZ 2.7Å
94F96.8Very high91.4Very high0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-73.3-37.1174.9-79.9-67.3000112.1Y90 L91 G92 Y98 K118 E120 M131 L133 L142Y90-F94 WeakPolarHBondContact O-CD2 3.2Å; Y90-F94 PolarHBondContact O-N 3.13Å; L91-F94 PolarHBondContact O-N 3.31Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.04Å; F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.11Å; F94-Y98 PolarHBondContact O-N 2.88Å; F94-K118 HydrophobicContact CD1-CB 4.17Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.9Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.39Å; F94-E120 HydrophobicContact CE2-CB 4.06Å; F94-E120 HydrophobicContact CE2-CG 4.05Å; F94-E120 HydrophobicContact CZ-CB 3.85Å; F94-E120 HydrophobicContact CZ-CG 3.77Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.82Å; F94-M131 WeakPolarHBondContact CZ-O 3.27Å; F94-L133 HydrophobicContact CD1-CB 3.85Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4Å; F94-L142 HydrophobicContact CD2-CD2 4.06Å; F94-L142 HydrophobicContact CE1-CD1 3.79Å; F94-L142 HydrophobicContact CE2-CD1 3.92Å; F94-L142 HydrophobicContact CE2-CD2 4.49Å; F94-L142 HydrophobicContact CG-CD1 4.03Å; F94-L142 HydrophobicContact CG-CD2 4.38Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å
95I95.9Very high90Very high20 Ų2060.6 Ų60.610%0.10334%0.337CS..Hα-helixtrans-64.4-46.5176.3-71.5157.9000110.1L91 G92 H97 Y98 A99 L169 I170 R173L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.1Å; L91-I95 PolarHBondContact O-N 2.78Å; G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 2.98Å; I95-H97 PolarHBondContact O-N 2.8Å; I95-Y98 PolarHBondContact O-N 3.15Å; I95-A99 PolarHBondContact O-N 2.98Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.63Å; I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.94Å; I95-I170 HydrophobicContact CG1-CG1 4.08Å; I95-I170 HydrophobicContact CG2-CD1 4.17Å; I95-I170 HydrophobicContact CG2-CG1 3.79Å; I95-R173 HydrophobicContact CD1-CB 4.06Å; I95-R173 HydrophobicContact CD1-CG 4.47Å
96E95.8Very high88.5Confident125 Ų12562.4 Ų62.458%0.58435%0.35SS*.Hα-helixtrans-60.4-46.8177.8-71.4-179.2-175.500111.6G92 Y98 A99 Q100G92-E96 PolarHBondContact O-N 2.87Å; E96-Y98 PolarHBondContact O-N 2.81Å; E96-A99 PolarHBondContact O-N 2.84Å; E96-Q100 WeakPolarHBondContact O-CG 3.35Å; E96-Q100 PolarHBondContact O-N 2.9Å
97H94.3Very high86.9Confident49 Ų4965.8 Ų65.823%0.22737%0.37CS..Hα-helixtrans-62.1-43.9175.6-175.771.3000111.4D93 I95 A99 Q100 L101 K118D93-H97 WeakPolarHBondContact O-CB 3.16Å; D93-H97 PolarHBondContact O-N 2.81Å; I95-H97 PolarHBondContact O-N 2.8Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 3Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.12Å; H97-L101 WeakPolarHBondContact O-CG 3.48Å; H97-L101 PolarHBondContact O-N 2.86Å; H97-K118 HydrophobicContact CB-CD 3.83Å
98Y93Very high85.1Confident61 Ų6171 Ų7124%0.23940%0.397CS..Hα-helixtrans-61-37178174.7-109.8000112.7F94 I95 E96 Q100 L101 R140 A166F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.11Å; F94-Y98 PolarHBondContact O-N 2.88Å; I95-Y98 PolarHBondContact O-N 3.15Å; E96-Y98 PolarHBondContact O-N 2.81Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.87Å; Y98-L101 HydrophobicContact CD2-CD1 4.35Å; Y98-L101 WeakPolarHBondContact O-CB 3.29Å; Y98-L101 PolarHBondContact O-N 2.81Å; Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.28Å
99A92.3Very high83.2Confident83 Ų8370.1 Ų70.169%0.68640%0.399SS*.Hα-helixtrans-66.5-26.4176.800000113.2I95 E96 H97I95-A99 PolarHBondContact O-N 2.98Å; E96-A99 PolarHBondContact O-N 2.84Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 3Å
100Q91.2Very high81.2Confident154 Ų15474.3 Ų74.372%0.7242%0.416SS*.Hα-helixtrans-83.1-15.3175.8-64.9170.7900112.8E96 H97 Y98 G102E96-Q100 WeakPolarHBondContact O-CG 3.35Å; E96-Q100 PolarHBondContact O-N 2.9Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.12Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.87Å; Q100-G102 PolarHBondContact O-N 2.79Å
101L86.4Confident79Confident47 Ų4779.5 Ų79.525%0.24645%0.448CS..SBendtrans-76.9123.6178.2-63.1174.1000109.9H97 Y98 L117 L133H97-L101 WeakPolarHBondContact O-CG 3.48Å; H97-L101 PolarHBondContact O-N 2.86Å; Y98-L101 HydrophobicContact CD2-CD1 4.35Å; Y98-L101 WeakPolarHBondContact O-CB 3.29Å; Y98-L101 PolarHBondContact O-N 2.81Å; L101-L117 HydrophobicContact CD1-CD1 3.82Å; L101-L133 HydrophobicContact CD1-CD2 4.18Å
102G79.5Confident76.8Confident48 Ų4885.9 Ų85.950%0.49548%0.478SS..  trans-62.1-177.5172.300000113.9Q100 R140Q100-G102 PolarHBondContact O-N 2.79Å; G102-R140 PolarHBondContact O-NH1 3.05Å; G102-R140 PolarHBondContact O-NH2 2.83Å
103P76.5Confident74.8Confident120 Ų12090.6 Ų90.678%0.77951%0.505SS*.SBendtrans-54143.1-179.919.9-30.2000112N105P103-N105 PolarHBondContact O-N 3.35Å
104S68.1Low73.3Confident63 Ų6397.5 Ų97.544%0.44153%0.527SS..  trans-60.2125.1179-40.60000109.9P106 E135S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.34Å; S104-E135 VanDerWaalsContact CA-OE1 3.3Å; S104-E135 WeakPolarHBondContact CA-OE1 3.46Å; S104-E135 VanDerWaalsContact CB-OE1 3.24Å; S104-E135 WeakPolarHBondContact CB-OE1 3.33Å
105N63.3Low72.1Confident93 Ų93107.2 Ų107.250%0.49756%0.563SS.*  trans-99.8102.5177.7-100.7-7000109.5P103 D107 I108 V109P103-N105 PolarHBondContact O-N 3.35Å; N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.01Å; N105-I108 HydrophobicContact CB-CD1 3.79Å; N105-I108 HydrophobicContact CB-CG1 4.14Å; N105-V109 WeakPolarHBondContact O-CG2 3.35Å
106P60.9Low71.6Confident88 Ų88107.4 Ų107.457%0.57157%0.567SS**G310 helixtrans-66.9-25-175.526.9-34000113.4S104S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.34Å
107D59.8Low71.3Confident140 Ų140104.7 Ų104.775%0.74956%0.557SS**G310 helixtrans-75.6-24.2-175.2-65.4-33.3000113.8N105 V109N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.01Å; D107-V109 VanDerWaalsContact C-N 3.3Å; D107-V109 PolarHBondContact O-N 2.8Å
108I57.7Low71.3Confident117 Ų117104.6 Ų104.660%0.656%0.556SS**G310 helixtrans-79.9-15.3-179.5-57.1174000111.4N105 Q110N105-I108 HydrophobicContact CB-CD1 3.79Å; N105-I108 HydrophobicContact CB-CG1 4.14Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.97Å
109V56.4Low71.4Confident52 Ų52104.8 Ų104.832%0.31557%0.566SS.*G310 helixtrans-79.7-7.4-170.5-165.10000113N105 D107N105-V109 WeakPolarHBondContact O-CG2 3.35Å; D107-V109 VanDerWaalsContact C-N 3.3Å; D107-V109 PolarHBondContact O-N 2.8Å
110Q53.3Low71.5Confident164 Ų164103.7 Ų103.777%0.76655%0.547SS*.G310 helixtrans-84.5-28-176-75-172.2-4.600114.9I108I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.97Å
111D49.6Very low71.6Confident163 Ų163101.8 Ų101.887%0.87254%0.536SS*.THydrogen-bonded Turntrans-109.9-14.2-163-108.5-15.5000116.6
112E50Low71.7Confident135 Ų135100.1 Ų100.163%0.63153%0.527SS*.SBendtrans-113148.1-175.3-85.3-110.2149.700113.5R114E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.89Å
113P52.8Low72Confident113 Ų113101.8 Ų101.873%0.73453%0.527SS*.  trans-68.778.9-179.928.3-34.2000112.2R115P113-R115 PolarHBondContact O-N 3.11Å
114R64.9Low72.2Confident213 Ų213101.5 Ų101.580%0.80451%0.511SS*.  trans23.351.6166.6-63.6-178.4-178.8154.81115.3E112 K134E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.89Å; R114-K134 PolarHBondContact O-NZ 3.31Å
115R73.4Confident72.8Confident204 Ų204106.5 Ų106.577%0.7753%0.527SS*.  trans-67.1141.6-177.7-164.9173.3-179.6179.7-1108.4P113P113-R115 PolarHBondContact O-N 3.11Å
116A85.3Confident73.6Confident23 Ų23106 Ų10619%0.1953%0.525CS..  trans-69.313617300000108.9K118 S119 D132 L133 K134A116-K118 VanDerWaalsContact C-N 3.3Å; A116-S119 WeakPolarHBondContact CB-OG 3.24Å; A116-D132 HydrophobicContact CB-CB 3.95Å; A116-L133 CarbonylContact C-O 3.58Å; A116-L133 WeakPolarHBondContact CA-O 3.31Å; A116-K134 HydrophobicContact CB-CG 4.36Å
117L89.3Confident74.8Confident69 Ų69105.9 Ų105.936%0.36151%0.513SS..SBendtrans-65.1-39.6172.6-60.9177.2000110.4L101 L133 E135 R140L101-L117 HydrophobicContact CD1-CD1 3.82Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.45Å; L117-L133 PolarHBondContact N-O 3.28Å; L117-E135 HydrophobicContact CD1-CB 4.12Å; L117-R140 HydrophobicContact CD1-CG 4.24Å
118K93.1Very high76.3Confident47 Ų47101.5 Ų101.520%0.20449%0.487CS..EExtended strand (participates in β ladder)trans-145.5139.7171.4-178.3171.8174.3169.90108.6D93 F94 H97 A116 L133D93-K118 PolarHBondContact O-NZ 2.7Å; F94-K118 HydrophobicContact CD1-CB 4.17Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.9Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.39Å; H97-K118 HydrophobicContact CB-CD 3.83Å; A116-K118 VanDerWaalsContact C-N 3.3Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.36Å
119S95Very high78Confident64 Ų6496.5 Ų96.545%0.44846%0.461SS..EExtended strand (participates in β ladder)trans-130.9131.9176.4-78.40000109.9A116 M131 D132A116-S119 WeakPolarHBondContact CB-OG 3.24Å; S119-M131 CarbonylContact C-O 3.45Å; S119-M131 VanDerWaalsContact CA-O 3.28Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; S119-D132 PolarHBondContact OG-OD1 2.73Å
120E95.6Very high79.8Confident61 Ų6197 Ų9729%0.28546%0.457SS..EExtended strand (participates in β ladder)trans-127.6158.8172-68.7-60.7159.600109.6Y90 F94 M131Y90-E120 HydrophobicContact CD1-CB 4.07Å; Y90-E120 HydrophobicContact CD1-CG 3.94Å; Y90-E120 HydrophobicContact CE1-CB 4.13Å; Y90-E120 HydrophobicContact CE1-CG 4.1Å; F94-E120 HydrophobicContact CE2-CB 4.06Å; F94-E120 HydrophobicContact CE2-CG 4.05Å; F94-E120 HydrophobicContact CZ-CB 3.85Å; F94-E120 HydrophobicContact CZ-CG 3.77Å; E120-M131 HydrophobicContact CB-CB 4.45Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.75Å; E120-M131 PolarHBondContact O-N 3.41Å
121F92.6Very high81.9Confident114 Ų11489.3 Ų89.350%0.542%0.421SS..EExtended strand (participates in β ladder)trans-143.2148.1171.271.6-89.2000112.3V123 K128 Y129 Y130F121-V123 HydrophobicContact CD2-CG2 3.98Å; F121-V123 HydrophobicContact CE2-CG2 4.12Å; F121-K128 HydrophobicContact CD2-CD 4.47Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.43Å; F121-Y129 WeakPolarHBondContact CB-O 3.48Å; F121-Y130 HydrophobicContact CB-CD1 4.33Å
122L87.7Confident84Confident11 Ų1182.4 Ų82.46%0.05839%0.385CS..EExtended strand (participates in β ladder)trans-123.1135.2176.3172.261.6000109.4V83 E86 Y90 K128 Y129 M131V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.22Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.5Å; Y90-L122 HydrophobicContact CE2-CB 4.35Å; L122-K128 CarbonylContact O-C 3.46Å; L122-K128 WeakPolarHBondContact O-CA 3.23Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.32Å; L122-Y129 PolarHBondContact O-N 3.04Å; L122-M131 HydrophobicContact CB-CE 4.39Å
123V86.3Confident86.2Confident83 Ų8376 Ų7650%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-117122.8174.5-177.50000108.9F121 R127 K128F121-V123 HydrophobicContact CD2-CG2 3.98Å; F121-V123 HydrophobicContact CE2-CG2 4.12Å; V123-R127 WeakPolarHBondContact CA-O 3.25Å; V123-K128 HydrophobicContact CG2-CB 4.38Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.94Å
124R82Confident88.2Confident115 Ų11572 Ų7243%0.43433%0.326SS..EExtended strand (participates in β ladder)trans-136.2127.2173.4-167.970.4179.1162.3-2.2109.3V83 N126 R127V83-R124 HydrophobicContact CG2-CB 3.67Å; V83-R124 HydrophobicContact CG2-CG 3.74Å; R124-N126 PolarHBondContact O-N 2.9Å; R124-R127 PolarHBondContact N-O 3.11Å; R124-R127 PolarHBondContact O-N 2.92Å; R124-R127 VanDerWaalsContact O-O 3.13Å
125E80.7Confident89.4Confident168 Ų16863.7 Ų63.779%0.78530%0.296SS*.THydrogen-bonded Turntrans52.4-118-175-57.8175.2171.300111.6
126N79.6Confident89.9Confident82 Ų8256.7 Ų56.744%0.43927%0.274SS..THydrogen-bonded Turntrans-104.320176.569-20.3000113R124 V148 N149R124-N126 PolarHBondContact O-N 2.9Å; N126-V148 CarbonylContact O-C 3.58Å; N126-V148 WeakPolarHBondContact O-CA 3.36Å; N126-N149 PolarHBondContact O-N 3.47Å
127R85.7Confident89.8Confident86 Ų8664.2 Ų64.233%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-117.1138.4-178.6-58.3-177.3-177.4-126.30.4110.4V123 R124 Y129 T147 V148V123-R127 WeakPolarHBondContact CA-O 3.25Å; R124-R127 PolarHBondContact N-O 3.11Å; R124-R127 PolarHBondContact O-N 2.92Å; R124-R127 VanDerWaalsContact O-O 3.13Å; R127-Y129 HydrophobicContact CB-CE2 3.82Å; R127-Y129 WeakPolarHBondContact CD-OH 2.96Å; R127-T147 WeakPolarHBondContact CA-O 3.38Å; R127-V148 HydrophobicContact CG-CG2 4.43Å
128K90.5Very high89.6Confident47 Ų4768.6 Ų68.620%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-121.7127.9172.4-173.4164176.5-169.50109.4F121 L122 V123 Y130 Q146 T147F121-K128 HydrophobicContact CD2-CD 4.47Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; L122-K128 CarbonylContact O-C 3.46Å; L122-K128 WeakPolarHBondContact O-CA 3.23Å; V123-K128 HydrophobicContact CG2-CB 4.38Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.94Å; K128-Y130 HydrophobicContact CB-CE2 4.17Å; K128-Y130 HydrophobicContact CD-CE1 4.03Å; K128-Y130 HydrophobicContact CD-CE2 3.91Å; K128-Y130 VanDerWaalsContact CD-CZ 3.47Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 2.99Å; K128-Y130 WeakPolarHBondContact CE-OH 3.43Å; K128-Y130 HydrophobicContact CG-CD2 4.22Å; K128-Y130 HydrophobicContact CG-CE1 4.36Å; K128-Y130 HydrophobicContact CG-CE2 3.71Å; K128-Y130 PolarHBondContact NZ-OH 2.68Å; K128-Q146 WeakPolarHBondContact O-CA 3.44Å; K128-T147 PolarHBondContact N-O 2.81Å; K128-T147 PolarHBondContact O-N 3.22Å; K128-T147 PolarHBondContact O-OG1 3.29Å
129Y93.7Very high89.3Confident12 Ų1267 Ų675%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-106.9117.4178-59.5-92000107.6L77 T78 L79 V83 F121 L122 R127 R145 Q146L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.1Å; T78-Y129 PolarHBondContact O-OH 2.9Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.23Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 3.99Å; V83-Y129 HydrophobicContact CG2-CE2 4.32Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.43Å; F121-Y129 WeakPolarHBondContact CB-O 3.48Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.32Å; L122-Y129 PolarHBondContact O-N 3.04Å; R127-Y129 HydrophobicContact CB-CE2 3.82Å; R127-Y129 WeakPolarHBondContact CD-OH 2.96Å; Y129-R145 CarbonylContact C-O 3.56Å; Y129-R145 WeakPolarHBondContact CA-O 3.38Å; Y129-Q146 HydrophobicContact CD1-CB 3.8Å; Y129-Q146 HydrophobicContact CD1-CG 3.85Å; Y129-Q146 HydrophobicContact CE1-CB 3.79Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å
130Y94.9Very high89.2Confident62 Ų6265 Ų6524%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-100.6131174.7-62.7-92000108.7F121 K128 I144 R145 T147F121-Y130 HydrophobicContact CB-CD1 4.33Å; K128-Y130 HydrophobicContact CB-CE2 4.17Å; K128-Y130 HydrophobicContact CD-CE1 4.03Å; K128-Y130 HydrophobicContact CD-CE2 3.91Å; K128-Y130 VanDerWaalsContact CD-CZ 3.47Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 2.99Å; K128-Y130 WeakPolarHBondContact CE-OH 3.43Å; K128-Y130 HydrophobicContact CG-CD2 4.22Å; K128-Y130 HydrophobicContact CG-CE1 4.36Å; K128-Y130 HydrophobicContact CG-CE2 3.71Å; K128-Y130 PolarHBondContact NZ-OH 2.68Å; Y130-I144 CarbonylContact O-C 3.51Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.03Å; Y130-R145 PolarHBondContact N-O 2.97Å; Y130-R145 PolarHBondContact O-N 3.41Å; Y130-T147 HydrophobicContact CD2-CG2 4.34Å; Y130-T147 HydrophobicContact CE2-CG2 4.03Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.38Å
131M96.3Very high89.2Confident3 Ų364 Ų642%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-123.6107.7-178.7-63.7174-78.800108.3F87 Y90 F94 S119 E120 L122 L142 R143 I144F87-M131 HydrophobicContact CD2-SD 3.63Å; F87-M131 HydrophobicContact CE2-SD 3.91Å; Y90-M131 HydrophobicContact CD1-CE 4.4Å; Y90-M131 HydrophobicContact CD2-CE 3.6Å; Y90-M131 HydrophobicContact CD2-SD 4.47Å; Y90-M131 HydrophobicContact CE2-CE 4.05Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.46Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.82Å; F94-M131 WeakPolarHBondContact CZ-O 3.27Å; S119-M131 CarbonylContact C-O 3.45Å; S119-M131 VanDerWaalsContact CA-O 3.28Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; E120-M131 HydrophobicContact CB-CB 4.45Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.75Å; E120-M131 PolarHBondContact O-N 3.41Å; L122-M131 HydrophobicContact CB-CE 4.39Å; M131-L142 HydrophobicContact CB-CD1 4.32Å; M131-R143 WeakPolarHBondContact CA-O 3.1Å; M131-I144 HydrophobicContact CG-CG1 4.22Å; M131-I144 HydrophobicContact CG-CG2 4.26Å
132D95.6Very high89.3Confident18 Ų1858.6 Ų58.610%0.09627%0.268CS..EExtended strand (participates in β ladder)trans-116.3112.7-177.2-57.3-45.9000109.9A116 S119 K134 R143A116-D132 HydrophobicContact CB-CB 3.95Å; S119-D132 PolarHBondContact OG-OD1 2.73Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.94Å; D132-R143 PolarHBondContact N-O 2.94Å; D132-R143 PolarHBondContact O-N 2.82Å; D132-R143 IonicContact OD2-CZ 2.77Å; D132-R143 IonicContact OD2-NE 2.69Å; D132-R143 IonicContact OD2-NH2 2.67Å; D132-R143 PolarHBondContact OD2-NH2 2.97Å
133L96Very high89.7Confident0 Ų062 Ų620%028%0.28CS..EExtended strand (participates in β ladder)trans-75.8121.3166.6-175.966000108.4F94 L101 A116 L117 K118 L142 A166F94-L133 HydrophobicContact CD1-CB 3.85Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; L101-L133 HydrophobicContact CD1-CD2 4.18Å; A116-L133 CarbonylContact C-O 3.58Å; A116-L133 WeakPolarHBondContact CA-O 3.31Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.45Å; L117-L133 PolarHBondContact N-O 3.28Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.36Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L133-A166 HydrophobicContact CD1-CB 4.4Å
134K93.7Very high90.1Very high30 Ų3058.1 Ų58.113%0.1326%0.256CS..EExtended strand (participates in β ladder)trans-130.5157.9-174.1-68.2-176.2173.7-112.50111R114 A116 D132 R140 F141 R143R114-K134 PolarHBondContact O-NZ 3.31Å; A116-K134 HydrophobicContact CB-CG 4.36Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.94Å; K134-R140 CarbonylContact O-C 3.57Å; K134-R140 WeakPolarHBondContact O-CA 3.45Å; K134-F141 HydrophobicContact CB-CD1 4.34Å; K134-F141 HydrophobicContact CB-CE1 3.76Å; K134-F141 HydrophobicContact CB-CE2 4.23Å; K134-F141 HydrophobicContact CB-CZ 3.71Å; K134-F141 HydrophobicContact CD-CZ 4.22Å; K134-F141 PolarHBondContact N-O 3.23Å; K134-F141 PolarHBondContact O-N 3.25Å; K134-R143 VanDerWaalsContact CE-NH2 3.34Å
135E89.6Confident90.7Very high39 Ų3956.7 Ų56.718%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-117138173.9-168160.1169.600110.1S104 L117 R140S104-E135 VanDerWaalsContact CA-OE1 3.3Å; S104-E135 WeakPolarHBondContact CA-OE1 3.46Å; S104-E135 VanDerWaalsContact CB-OE1 3.24Å; S104-E135 WeakPolarHBondContact CB-OE1 3.33Å; L117-E135 HydrophobicContact CD1-CB 4.12Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 IonicContact OE1-NH2 3.57Å; E135-R140 IonicContact OE2-CZ 2.83Å; E135-R140 IonicContact OE2-NE 3.64Å; E135-R140 PolarHBondContact OE2-NE 3.43Å; E135-R140 IonicContact OE2-NH2 3.35Å; E135-R140 PolarHBondContact OE2-NH2 3.37Å
136N85.2Confident91.1Very high57 Ų5749 Ų4931%0.30522%0.215SC..EExtended strand (participates in β ladder)trans-138.5-179.8171.267.822.9000110R138 G139 F141N136-R138 PolarHBondContact O-N 3.35Å; N136-R138 VanDerWaalsContact OD1-CA 3.29Å; N136-R138 WeakPolarHBondContact OD1-CA 3.31Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.49Å; N136-R138 PolarHBondContact OD1-N 3.15Å; N136-G139 PolarHBondContact N-O 3.3Å; N136-G139 PolarHBondContact O-N 3.27Å; N136-G139 PolarHBondContact OD1-N 3.36Å; N136-G139 VanDerWaalsContact OD1-N 3.12Å; N136-G139 PolarHBondContact OD1-O 3.12Å; N136-F141 HydrophobicContact CB-CE1 4.02Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.33Å
137Q83.5Confident91.5Very high180 Ų18046.5 Ų46.584%0.84120%0.203SC*.THydrogen-bonded Turntrans-57.8-22.2178.2-65.9176.61.800114.1
138R83.4Confident91.2Very high161 Ų16144.8 Ų44.861%0.60820%0.202SC*.THydrogen-bonded Turntrans-90.3-3.5177.2-61.6175.958.1-161.7-6.5112.8N47 N136N47-R138 PolarHBondContact ND2-NH2 3.22Å; N47-R138 PolarHBondContact OD1-NH2 3.04Å; N136-R138 PolarHBondContact O-N 3.35Å; N136-R138 VanDerWaalsContact OD1-CA 3.29Å; N136-R138 WeakPolarHBondContact OD1-CA 3.31Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.49Å; N136-R138 PolarHBondContact OD1-N 3.15Å
139G88.4Confident89.9Confident14 Ų1447.9 Ų47.914%0.14422%0.22CC..EExtended strand (participates in β ladder)trans115.4-164.6-178.600000113.8N136N136-G139 PolarHBondContact N-O 3.3Å; N136-G139 PolarHBondContact O-N 3.27Å; N136-G139 PolarHBondContact OD1-N 3.36Å; N136-G139 VanDerWaalsContact OD1-N 3.12Å; N136-G139 PolarHBondContact OD1-O 3.12Å
140R92.4Very high88.4Confident22 Ų2254.1 Ų54.18%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-89.6142.9-178.2-61.4-175.9-171.5133.53111.7Y98 G102 L117 K134 E135 A166Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; G102-R140 PolarHBondContact O-NH1 3.05Å; G102-R140 PolarHBondContact O-NH2 2.83Å; L117-R140 HydrophobicContact CD1-CG 4.24Å; K134-R140 CarbonylContact O-C 3.57Å; K134-R140 WeakPolarHBondContact O-CA 3.45Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 IonicContact OE1-NH2 3.57Å; E135-R140 IonicContact OE2-CZ 2.83Å; E135-R140 IonicContact OE2-NE 3.64Å; E135-R140 PolarHBondContact OE2-NE 3.43Å; E135-R140 IonicContact OE2-NH2 3.35Å; E135-R140 PolarHBondContact OE2-NH2 3.37Å; R140-A166 HydrophobicContact CB-CB 3.8Å; R140-A166 WeakPolarHBondContact O-CB 3.22Å; R140-A166 PolarHBondContact O-N 2.92Å
141F94.6Very high86.3Confident41 Ų4153.6 Ų53.618%0.1826%0.257CS..EExtended strand (participates in β ladder)trans-149.8143.8179.767.5-78.8000111.2K134 N136 R143 A163 L164K134-F141 HydrophobicContact CB-CD1 4.34Å; K134-F141 HydrophobicContact CB-CE1 3.76Å; K134-F141 HydrophobicContact CB-CE2 4.23Å; K134-F141 HydrophobicContact CB-CZ 3.71Å; K134-F141 HydrophobicContact CD-CZ 4.22Å; K134-F141 PolarHBondContact N-O 3.23Å; K134-F141 PolarHBondContact O-N 3.25Å; N136-F141 HydrophobicContact CB-CE1 4.02Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.33Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.01Å; F141-A163 HydrophobicContact CD2-CB 4.04Å; F141-L164 CarbonylContact C-O 3.51Å; F141-L164 WeakPolarHBondContact CA-O 3.29Å; F141-L164 WeakPolarHBondContact CB-O 3.38Å
142L96.3Very high83.6Confident0 Ų060.6 Ų60.60%030%0.303CS..EExtended strand (participates in β ladder)trans-90.3117.1171.7-175.864.8000109.4L91 F94 M131 L133 I144 A163 L164 L169L91-L142 HydrophobicContact CD2-CD2 3.6Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4Å; F94-L142 HydrophobicContact CD2-CD2 4.06Å; F94-L142 HydrophobicContact CE1-CD1 3.79Å; F94-L142 HydrophobicContact CE2-CD1 3.92Å; F94-L142 HydrophobicContact CE2-CD2 4.49Å; F94-L142 HydrophobicContact CG-CD1 4.03Å; F94-L142 HydrophobicContact CG-CD2 4.38Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å; M131-L142 HydrophobicContact CB-CD1 4.32Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L142-I144 HydrophobicContact CD2-CD1 4.38Å; L142-I144 HydrophobicContact CD2-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG1 4.17Å; L142-A163 CarbonylContact O-C 3.55Å; L142-A163 WeakPolarHBondContact O-CA 3.3Å; L142-L164 PolarHBondContact N-O 3.2Å; L142-L164 PolarHBondContact O-N 3.22Å; L142-L169 HydrophobicContact CB-CD2 3.95Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å
143R95.1Very high81.6Confident81 Ų8163.6 Ų63.631%0.30634%0.338SS..EExtended strand (participates in β ladder)trans-96.9120.5175.5-173.3179.766.9172.74.7109.7M131 D132 K134 F141 T161M131-R143 WeakPolarHBondContact CA-O 3.1Å; D132-R143 PolarHBondContact N-O 2.94Å; D132-R143 PolarHBondContact O-N 2.82Å; D132-R143 IonicContact OD2-CZ 2.77Å; D132-R143 IonicContact OD2-NE 2.69Å; D132-R143 IonicContact OD2-NH2 2.67Å; D132-R143 PolarHBondContact OD2-NH2 2.97Å; K134-R143 VanDerWaalsContact CE-NH2 3.34Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.01Å; R143-T161 HydrophobicContact CG-CG2 3.76Å
144I95.3Very high79.5Confident3 Ų369.4 Ų69.42%0.01537%0.369CS..EExtended strand (participates in β ladder)trans-112.3119.8179.7-55.1152.4000108.2L77 F87 Y130 M131 L142 T161 I162 L164L77-I144 HydrophobicContact CD2-CB 4.44Å; L77-I144 HydrophobicContact CD2-CG2 3.65Å; F87-I144 HydrophobicContact CE1-CD1 4.38Å; F87-I144 HydrophobicContact CE2-CD1 3.6Å; F87-I144 HydrophobicContact CE2-CG1 4.16Å; F87-I144 HydrophobicContact CZ-CD1 3.31Å; F87-I144 HydrophobicContact CZ-CG1 4.33Å; Y130-I144 CarbonylContact O-C 3.51Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.03Å; M131-I144 HydrophobicContact CG-CG1 4.22Å; M131-I144 HydrophobicContact CG-CG2 4.26Å; L142-I144 HydrophobicContact CD2-CD1 4.38Å; L142-I144 HydrophobicContact CD2-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG1 4.17Å; I144-T161 CarbonylContact O-C 3.49Å; I144-T161 WeakPolarHBondContact O-CA 3.34Å; I144-T161 WeakPolarHBondContact O-CG2 3.39Å; I144-I162 HydrophobicContact CB-CG1 3.93Å; I144-I162 HydrophobicContact CD1-CD1 3.96Å; I144-I162 HydrophobicContact CD1-CG1 3.99Å; I144-I162 PolarHBondContact N-O 3.48Å; I144-I162 PolarHBondContact O-N 2.99Å; I144-L164 HydrophobicContact CD1-CD1 3.55Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å
145R93.6Very high77.2Confident84 Ų8471 Ų7132%0.31739%0.393SS..EExtended strand (participates in β ladder)trans-125121.9-177.6177177.959.4123.73.5110.4Y129 Y130 T147 Q160 T161Y129-R145 CarbonylContact C-O 3.56Å; Y129-R145 WeakPolarHBondContact CA-O 3.38Å; Y130-R145 PolarHBondContact N-O 2.97Å; Y130-R145 PolarHBondContact O-N 3.41Å; R145-T147 HydrophobicContact CG-CG2 4.32Å; R145-Q160 CarbonylContact C-O 3.51Å; R145-Q160 WeakPolarHBondContact CA-O 3.46Å; R145-T161 HydrophobicContact CB-CG2 4.25Å
146Q90.8Very high75.2Confident8 Ų874.6 Ų74.64%0.03742%0.423CS..EExtended strand (participates in β ladder)trans-96.6125.5172.1-176.7-163.3-63.600110.5L77 T78 K128 Y129 G159 Q160L77-Q146 HydrophobicContact CD1-CB 3.55Å; L77-Q146 HydrophobicContact CD1-CG 4.39Å; T78-Q146 PolarHBondContact O-OE1 3.07Å; T78-Q146 VanDerWaalsContact O-OE1 3.13Å; K128-Q146 WeakPolarHBondContact O-CA 3.44Å; Y129-Q146 HydrophobicContact CD1-CB 3.8Å; Y129-Q146 HydrophobicContact CD1-CG 3.85Å; Y129-Q146 HydrophobicContact CE1-CB 3.79Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å; Q146-G159 CarbonylContact O-C 3.59Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.48Å; Q146-Q160 HydrophobicContact CB-CB 4.34Å; Q146-Q160 PolarHBondContact N-O 3.06Å; Q146-Q160 PolarHBondContact O-N 3.26Å
147T87.1Confident73.6Confident29 Ų2974.6 Ų74.618%0.17843%0.431CS..EExtended strand (participates in β ladder)trans-114.6146.316961.40000109.8R127 K128 Y130 R145R127-T147 WeakPolarHBondContact CA-O 3.38Å; K128-T147 PolarHBondContact N-O 2.81Å; K128-T147 PolarHBondContact O-N 3.22Å; K128-T147 PolarHBondContact O-OG1 3.29Å; Y130-T147 HydrophobicContact CD2-CG2 4.34Å; Y130-T147 HydrophobicContact CE2-CG2 4.03Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.38Å; R145-T147 HydrophobicContact CG-CG2 4.32Å
148V78.9Confident72.4Confident50 Ų5075 Ų7530%0.30343%0.433SS..EExtended strand (participates in β ladder)trans-104126.4171.3-1740000107.3N126 R127 R150N126-V148 CarbonylContact O-C 3.58Å; N126-V148 WeakPolarHBondContact O-CA 3.36Å; R127-V148 HydrophobicContact CG-CG2 4.43Å; V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.18Å
149N64.4Low71.6Confident112 Ų11268.9 Ų68.960%0.59942%0.419SS*.  trans-72.988.5171.9-76.624.8000107.9N126N126-N149 PolarHBondContact O-N 3.47Å
150R60.8Low71.5Confident143 Ų14370.6 Ų70.654%0.5442%0.424SS..PPolyproline II helixtrans-90.8130.3162.3-66.4179.8174.9-174-0.4106.3V148 L154V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.18Å; R150-L154 HydrophobicContact CB-CB 4.31Å
151G50.9Low71.5Confident51 Ų5171.9 Ų71.953%0.52643%0.434SS..PPolyproline II helixtrans-55.6171.4-17600000113.6G153 L154G151-G153 PolarHBondContact O-N 2.91Å; G151-G153 VanDerWaalsContact O-N 3.14Å; G151-L154 PolarHBondContact O-N 3.27Å
152P40.1Very low71.5Confident149 Ų14970 Ų7097%0.96843%0.426SS*.THydrogen-bonded Turntrans-55.3121.7-176.6-18.529.5000110.5
153G53.4Low71.4Confident82 Ų8270.9 Ų70.985%0.84543%0.433SS*.THydrogen-bonded Turntrans112.9-10.2173.300000116.8G151G151-G153 PolarHBondContact O-N 2.91Å; G151-G153 VanDerWaalsContact O-N 3.14Å
154L51.5Low71.4Confident121 Ų12167 Ų6763%0.63442%0.419SS*.SBendtrans-107.1101.6172.3-142.171.1000109.2R150 G151R150-L154 HydrophobicContact CB-CB 4.31Å; G151-L154 PolarHBondContact O-N 3.27Å
155G46.7Very low71.4Confident63 Ų6367.1 Ų67.165%0.64942%0.42SS*.  trans-39.2146.6-168.100000115.8A157G155-A157 VanDerWaalsContact C-N 3.33Å; G155-A157 PolarHBondContact O-N 2.99Å
156S47Very low71.4Confident116 Ų11663.3 Ų63.381%0.81141%0.406SS*.  trans-50.193.1174.4165.80000110.4Q158S156-Q158 PolarHBondContact O-N 3.5Å
157A52.2Low71.6Confident56 Ų5667.8 Ų67.846%0.46343%0.427SS..  trans-56.2118165.200000106G155 G159G155-A157 VanDerWaalsContact C-N 3.33Å; G155-A157 PolarHBondContact O-N 2.99Å; A157-G159 PolarHBondContact O-N 3.23Å
158Q58.2Low72Confident190 Ų19066.6 Ų66.689%0.88842%0.42SS*.  trans-43112.4-177.1-65.6-124.5-25.700109.5S156 Q160S156-Q158 PolarHBondContact O-N 3.5Å; Q158-Q160 PolarHBondContact O-N 2.88Å
159G65.4Low72.8Confident31 Ų3164.3 Ų64.332%0.3241%0.406SS..  trans-58.4135.5-173.700000110.5Q146 A157 T161Q146-G159 CarbonylContact O-C 3.59Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.48Å; A157-G159 PolarHBondContact O-N 3.23Å; G159-T161 PolarHBondContact O-N 2.97Å; G159-T161 PolarHBondContact O-OG1 3.45Å
160Q87.2Confident74.4Confident50 Ų5063.2 Ų63.223%0.23440%0.4CS..EExtended strand (participates in β ladder)trans-69.6123.3175.5-79.9-179.82.400108.7R76 L77 R145 Q146 Q158R76-Q160 VanDerWaalsContact O-CB 3.3Å; R76-Q160 WeakPolarHBondContact O-CB 3.36Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; L77-Q160 HydrophobicContact CD1-CB 4.33Å; R145-Q160 CarbonylContact C-O 3.51Å; R145-Q160 WeakPolarHBondContact CA-O 3.46Å; Q146-Q160 HydrophobicContact CB-CB 4.34Å; Q146-Q160 PolarHBondContact N-O 3.06Å; Q146-Q160 PolarHBondContact O-N 3.26Å; Q158-Q160 PolarHBondContact O-N 2.88Å
161T91.8Very high76.1Confident49 Ų4961.2 Ų61.230%0.30140%0.396SS..EExtended strand (participates in β ladder)trans-132.4138.2-176.3-52.90000110.3S75 R143 I144 R145 G159S75-T161 WeakPolarHBondContact CB-O 3.41Å; R143-T161 HydrophobicContact CG-CG2 3.76Å; I144-T161 CarbonylContact O-C 3.49Å; I144-T161 WeakPolarHBondContact O-CA 3.34Å; I144-T161 WeakPolarHBondContact O-CG2 3.39Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; G159-T161 PolarHBondContact O-N 2.97Å; G159-T161 PolarHBondContact O-OG1 3.45Å
162I94.4Very high78.3Confident1 Ų158.8 Ų58.81%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-127.9157.7167.661.2176000109.4I65 E67 L77 I144 L164I65-I162 HydrophobicContact CB-CD1 4.37Å; I65-I162 HydrophobicContact CG2-CD1 3.72Å; E67-I162 HydrophobicContact CB-CB 4.39Å; E67-I162 HydrophobicContact CB-CG2 4.02Å; E67-I162 WeakPolarHBondContact OE2-CA 3.36Å; E67-I162 WeakPolarHBondContact OE2-CB 3.46Å; L77-I162 HydrophobicContact CB-CD1 4.16Å; L77-I162 HydrophobicContact CB-CG2 4.24Å; L77-I162 HydrophobicContact CD2-CD1 3.8Å; L77-I162 HydrophobicContact CD2-CG1 4.17Å; I144-I162 HydrophobicContact CB-CG1 3.93Å; I144-I162 HydrophobicContact CD1-CD1 3.96Å; I144-I162 HydrophobicContact CD1-CG1 3.99Å; I144-I162 PolarHBondContact N-O 3.48Å; I144-I162 PolarHBondContact O-N 2.99Å; I162-L164 HydrophobicContact CB-CD1 4.35Å; I162-L164 HydrophobicContact CD1-CD1 3.65Å; I162-L164 HydrophobicContact CG1-CD1 3.76Å
163A94.4Very high81.1Confident19 Ų1955.2 Ų55.216%0.15734%0.338CS..EExtended strand (participates in β ladder)trans-134.4106-17900000111K48 E67 F141 L142K48-A163 PolarHBondContact NZ-O 2.96Å; E67-A163 PolarHBondContact OE2-N 3.43Å; F141-A163 HydrophobicContact CD2-CB 4.04Å; L142-A163 CarbonylContact O-C 3.55Å; L142-A163 WeakPolarHBondContact O-CA 3.3Å
164L94.9Very high83.2Confident0 Ų054.8 Ų54.80%032%0.317CS..EExtended strand (participates in β ladder)trans-92.7124-178-72.269.7000109.8F50 F141 L142 I144 I162 A166 L169 F172F50-L164 HydrophobicContact CE1-CD1 3.99Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.48Å; F50-L164 HydrophobicContact CZ-CD1 4.41Å; F50-L164 HydrophobicContact CZ-CG 4.01Å; F141-L164 CarbonylContact C-O 3.51Å; F141-L164 WeakPolarHBondContact CA-O 3.29Å; F141-L164 WeakPolarHBondContact CB-O 3.38Å; L142-L164 PolarHBondContact N-O 3.2Å; L142-L164 PolarHBondContact O-N 3.22Å; I144-L164 HydrophobicContact CD1-CD1 3.55Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I162-L164 HydrophobicContact CB-CD1 4.35Å; I162-L164 HydrophobicContact CD1-CD1 3.65Å; I162-L164 HydrophobicContact CG1-CD1 3.76Å; L164-A166 PolarHBondContact O-N 2.96Å; L164-L169 HydrophobicContact CB-CD2 4.22Å; L164-L169 HydrophobicContact CD2-CD2 4.37Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.72Å; L164-F172 HydrophobicContact CD2-CD2 3.56Å; L164-F172 HydrophobicContact CD2-CE1 3.96Å; L164-F172 HydrophobicContact CD2-CE2 3.76Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.35Å; L164-F172 HydrophobicContact CG-CE2 4.4Å
165P95.6Very high85.3Confident6 Ų649.5 Ų49.54%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-59.2136.8170-21.333.1000111.2I45 Q46 K48 Q167 G168I45-P165 HydrophobicContact CB-CG 4.45Å; I45-P165 HydrophobicContact CG2-CB 3.72Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.2Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; K48-P165 HydrophobicContact CD-CG 4.43Å; P165-Q167 PolarHBondContact O-N 3.44Å; P165-G168 PolarHBondContact O-N 3.48Å; P165-G168 VanDerWaalsContact O-N 3.08Å
166A94.9Very high87.7Confident3 Ų346.5 Ų46.53%0.02526%0.259CS..G310 helixtrans-60.3-31.8-173.700000112.8Y98 L133 R140 L164 G168 L169Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.28Å; L133-A166 HydrophobicContact CD1-CB 4.4Å; R140-A166 HydrophobicContact CB-CB 3.8Å; R140-A166 WeakPolarHBondContact O-CB 3.22Å; R140-A166 PolarHBondContact O-N 2.92Å; L164-A166 PolarHBondContact O-N 2.96Å; A166-G168 PolarHBondContact O-N 3.46Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 WeakPolarHBondContact O-CG 3.28Å; A166-L169 PolarHBondContact O-N 2.78Å
167Q93.5Very high90Very high103 Ų10341.7 Ų41.748%0.48123%0.227SC..G310 helixtrans-62.4-23.8178.9-63.986-7.600113.6P165P165-Q167 PolarHBondContact O-N 3.44Å
168G95.6Very high92.1Very high4 Ų445.3 Ų45.34%0.04123%0.232CC..G310 helixtrans-102.48.9179.700000114.3P165 A166 I170 E171 F172P165-G168 PolarHBondContact O-N 3.48Å; P165-G168 VanDerWaalsContact O-N 3.08Å; A166-G168 PolarHBondContact O-N 3.46Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.23Å; G168-E171 PolarHBondContact O-N 3.4Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.33Å; G168-F172 PolarHBondContact O-N 2.88Å
169L96.6Very high93.8Very high1 Ų136.8 Ų36.81%0.00519%0.193CC..Hα-helixtrans-62.8-38.1-178.1-69.3174000112.3L91 I95 L142 L164 A166 R173L91-L169 HydrophobicContact CD2-CD2 3.85Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.63Å; L142-L169 HydrophobicContact CB-CD2 3.95Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å; L164-L169 HydrophobicContact CB-CD2 4.22Å; L164-L169 HydrophobicContact CD2-CD2 4.37Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 WeakPolarHBondContact O-CG 3.28Å; A166-L169 PolarHBondContact O-N 2.78Å; L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 PolarHBondContact O-N 2.82Å
170I96.8Very high95.1Very high90 Ų9036.1 Ų36.146%0.46218%0.182SC..Hα-helixtrans-64.5-52.8178.9-61.2174.1000110.3I95 G168 F172 R173 D174I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.94Å; I95-I170 HydrophobicContact CG1-CG1 4.08Å; I95-I170 HydrophobicContact CG2-CD1 4.17Å; I95-I170 HydrophobicContact CG2-CG1 3.79Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.23Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.96Å; I170-R173 WeakPolarHBondContact O-CB 3.12Å; I170-R173 PolarHBondContact O-N 3.19Å; I170-R173 VanDerWaalsContact O-N 3.16Å; I170-D174 VanDerWaalsContact O-CG 3.25Å; I170-D174 PolarHBondContact O-N 3.45Å
171E97.4Very high95.4Very high101 Ų10139.5 Ų39.547%0.47220%0.202SC..Hα-helixtrans-60.4-40.3179.3-168.6-172.7169.400111.7V43 G168 D174 A175V43-E171 HydrophobicContact CG1-CB 4.3Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; G168-E171 PolarHBondContact O-N 3.4Å; E171-D174 PolarHBondContact O-N 2.97Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.15Å; E171-A175 PolarHBondContact O-N 3.23Å
172F97.6Very high95.4Very high0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-65-43.6176.4-164.8-77.4000111.9I45 F50 L52 I65 F87 L91 L164 G168 I170 L176I45-F172 HydrophobicContact CD1-CB 4.36Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å; F50-F172 HydrophobicContact CB-CD2 4.34Å; F50-F172 HydrophobicContact CB-CE2 3.91Å; F50-F172 HydrophobicContact CD1-CE2 4.02Å; F50-F172 HydrophobicContact CG-CD2 4.34Å; F50-F172 HydrophobicContact CG-CE2 4.01Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.68Å; L52-F172 HydrophobicContact CD1-CZ 3.98Å; L52-F172 HydrophobicContact CD2-CE1 4.15Å; L52-F172 HydrophobicContact CD2-CE2 4.38Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.29Å; L52-F172 HydrophobicContact CG-CZ 4.07Å; I65-F172 HydrophobicContact CD1-CE1 4.45Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.35Å; I65-F172 HydrophobicContact CG2-CE2 4.23Å; I65-F172 HydrophobicContact CG2-CZ 3.85Å; F87-F172 AromaticContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CZ-CE1 4.38Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.72Å; L164-F172 HydrophobicContact CD2-CD2 3.56Å; L164-F172 HydrophobicContact CD2-CE1 3.96Å; L164-F172 HydrophobicContact CD2-CE2 3.76Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.35Å; L164-F172 HydrophobicContact CG-CE2 4.4Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.33Å; G168-F172 PolarHBondContact O-N 2.88Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.96Å; F172-L176 VanDerWaalsContact O-CB 3.29Å; F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 PolarHBondContact O-N 3.49Å
173R97.4Very high95.1Very high73 Ų7345.1 Ų45.128%0.27523%0.225SC..Hα-helixtrans-61.2-45.6175.8-178.6-155.365.8-173.1-0.1110.9R88 L91 I95 L169 I170 L176 A177R88-R173 HydrophobicContact CG-CG 4.15Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; I95-R173 HydrophobicContact CD1-CB 4.06Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 PolarHBondContact O-N 2.82Å; I170-R173 WeakPolarHBondContact O-CB 3.12Å; I170-R173 PolarHBondContact O-N 3.19Å; I170-R173 VanDerWaalsContact O-N 3.16Å; R173-L176 WeakPolarHBondContact O-CB 3.25Å; R173-L176 PolarHBondContact O-N 2.92Å; R173-A177 WeakPolarHBondContact O-CB 3.32Å; R173-A177 PolarHBondContact O-N 3.44Å
174D97.7Very high94.4Very high74 Ų7445.4 Ų45.440%0.39623%0.23SC..Hα-helixtrans-69.1-39.8-176.8-65.5-11000111.4I170 E171 L176 A177 K178I170-D174 VanDerWaalsContact O-CG 3.25Å; I170-D174 PolarHBondContact O-N 3.45Å; E171-D174 PolarHBondContact O-N 2.97Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 2.89Å; D174-A177 PolarHBondContact O-N 2.91Å; D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 3.35Å
175A97.3Very high93Very high9 Ų948.9 Ų48.97%0.07425%0.251CS..Hα-helixtrans-60.3-42.7171.100000111.8K41 V43 L52 E171 L179K41-A175 HydrophobicContact CG-CB 3.97Å; V43-A175 HydrophobicContact CG2-CB 3.72Å; L52-A175 HydrophobicContact CD2-CB 4.4Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.15Å; E171-A175 PolarHBondContact O-N 3.23Å; A175-L179 WeakPolarHBondContact O-CG 3.48Å; A175-L179 PolarHBondContact O-N 2.95Å
176L96.1Very high91Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-66.6-45.9177.5-179.260.6000111.9L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180L52-L176 HydrophobicContact CD2-CB 4.34Å; L63-L176 HydrophobicContact CD2-CD1 3.29Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; F87-L176 HydrophobicContact CD1-CD2 3.61Å; F87-L176 HydrophobicContact CE1-CD2 4.06Å; F87-L176 HydrophobicContact CG-CD2 4.45Å; R88-L176 HydrophobicContact CB-CD2 3.89Å; R88-L176 HydrophobicContact CB-CG 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.05Å; F172-L176 VanDerWaalsContact O-CB 3.29Å; F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 PolarHBondContact O-N 3.49Å; R173-L176 WeakPolarHBondContact O-CB 3.25Å; R173-L176 PolarHBondContact O-N 2.92Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 2.89Å; L176-K178 PolarHBondContact O-N 2.99Å; L176-L179 PolarHBondContact O-N 3.38Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.78Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.3Å
177A96.3Very high89.1Confident16 Ų1662.8 Ų62.813%0.13232%0.32CS..Hα-helixtrans-58-48.617800000110.6R88 R173 D174 L179 I180 D181R88-A177 HydrophobicContact CG-CB 4.09Å; R173-A177 WeakPolarHBondContact O-CB 3.32Å; R173-A177 PolarHBondContact O-N 3.44Å; D174-A177 PolarHBondContact O-N 2.91Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.94Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CA 3.09Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 3.38Å; A177-D181 PolarHBondContact O-N 3.12Å
178K95.4Very high86.8Confident131 Ų13165.4 Ų65.457%0.5733%0.332SS*.Hα-helixtrans-57.8-43.6176.4-176.5173-178.3173.50112.8D174 L176 I180 D181 D182D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 3.35Å; L176-K178 PolarHBondContact O-N 2.99Å; K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 3.18Å; K178-D181 PolarHBondContact O-N 3.32Å; K178-D182 WeakPolarHBondContact CE-OD2 3.23Å; K178-D182 WeakPolarHBondContact O-CB 3.45Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 3.39Å
179L94.6Very high84.7Confident12 Ų1270.1 Ų70.16%0.06336%0.362CS..Hα-helixtrans-66.1-31.6177.4-71.6173.5000112.6A39 K41 L52 V54 L63 A175 L176 A177 Y183A39-L179 HydrophobicContact CB-CD2 3.85Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.49Å; L52-L179 HydrophobicContact CB-CD1 3.66Å; L52-L179 HydrophobicContact CD2-CD1 4.15Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.95Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å; A175-L179 WeakPolarHBondContact O-CG 3.48Å; A175-L179 PolarHBondContact O-N 2.95Å; L176-L179 PolarHBondContact O-N 3.38Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.94Å; L179-Y183 HydrophobicContact CD2-CD2 4.3Å; L179-Y183 HydrophobicContact CD2-CE2 4.42Å; L179-Y183 WeakPolarHBondContact O-CA 3.38Å; L179-Y183 WeakPolarHBondContact O-CB 3.42Å; L179-Y183 PolarHBondContact O-N 3.37Å
180I92.6Very high82.7Confident16 Ų1672.8 Ų72.88%0.08238%0.384CS..Hα-helixtrans-73.8-37.3174.5-70163.9000110.8M81 A84 V85 R88 L176 A177 K178 G184M81-I180 HydrophobicContact CE-CG1 4.19Å; A84-I180 HydrophobicContact CB-CD1 4.22Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.17Å; V85-I180 HydrophobicContact CG2-CD1 4.39Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.78Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.3Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CA 3.09Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 3.38Å; K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 3.18Å; I180-G184 WeakPolarHBondContact O-CA 3.28Å; I180-G184 PolarHBondContact O-N 2.91Å
181D92.3Very high80.8Confident122 Ų12277.4 Ų77.465%0.65240%0.404SS*.Hα-helixtrans-70.7-41.8178.1-61.4-22.3000110.5A177 K178A177-D181 PolarHBondContact O-N 3.12Å; K178-D181 PolarHBondContact O-N 3.32Å
182D92.1Very high79.6Confident96 Ų9675.1 Ų75.151%0.51340%0.395SS..Hα-helixtrans-76.9-34.8-178.7-68.2-20.3000112.7K178K178-D182 WeakPolarHBondContact CE-OD2 3.23Å; K178-D182 WeakPolarHBondContact O-CB 3.45Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 3.39Å
183Y88.7Confident78.7Confident71 Ų7179.1 Ų79.128%0.27842%0.421SS..Hα-helixtrans-13413.5-171.2-54.1-89.6000114L38 A39 V54 R61 L179 V185L38-Y183 HydrophobicContact CB-CD1 3.98Å; L38-Y183 HydrophobicContact CB-CE1 3.94Å; L38-Y183 HydrophobicContact CD1-CD1 4.26Å; L38-Y183 PolarHBondContact O-OH 2.86Å; A39-Y183 HydrophobicContact CB-CD2 4.01Å; A39-Y183 HydrophobicContact CB-CE1 4.33Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å; V54-Y183 HydrophobicContact CG1-CG 4.29Å; R61-Y183 WeakPolarHBondContact CD-O 3.43Å; R61-Y183 VanDerWaalsContact NH1-C 3.29Å; R61-Y183 PolarHBondContact NH1-O 3.31Å; L179-Y183 HydrophobicContact CD2-CD2 4.3Å; L179-Y183 HydrophobicContact CD2-CE2 4.42Å; L179-Y183 WeakPolarHBondContact O-CA 3.38Å; L179-Y183 WeakPolarHBondContact O-CB 3.42Å; L179-Y183 PolarHBondContact O-N 3.37Å; Y183-V185 PolarHBondContact O-N 3.48Å
184G78.4Confident77.6Confident26 Ų2684.5 Ų84.527%0.26845%0.449SS..  trans-50.3137.7165.500000109.1R61 I180 D186R61-G184 PolarHBondContact NH1-O 2.82Å; I180-G184 WeakPolarHBondContact O-CA 3.28Å; I180-G184 PolarHBondContact O-N 2.91Å; G184-D186 PolarHBondContact O-N 2.89Å
185V66.4Low76.7Confident73 Ų7382.8 Ų82.844%0.44245%0.449SS..  trans-80.4111.7163.9-165.90000102.7R61 M81 Y183 E187R61-V185 HydrophobicContact CB-CG2 3.84Å; M81-V185 HydrophobicContact CB-CG2 4.18Å; M81-V185 HydrophobicContact CG-CG2 4.05Å; Y183-V185 PolarHBondContact O-N 3.48Å; V185-E187 HydrophobicContact CB-CG 4.43Å; V185-E187 HydrophobicContact CG1-CG 3.95Å; V185-E187 PolarHBondContact O-N 2.9Å
186D54.1Low76.2Confident160 Ų16087 Ų8786%0.85647%0.474SS*.  trans-59.578.7149.7-73-38000104.7G184 E188G184-D186 PolarHBondContact O-N 2.89Å; D186-E188 PolarHBondContact O-N 2.85Å
187E53.5Low76Confident141 Ų14189.8 Ų89.866%0.65949%0.494SS*.  trans-66.873.2154.4-91.1-170.5154.200103.8V185 P189V185-E187 HydrophobicContact CB-CG 4.43Å; V185-E187 HydrophobicContact CG1-CG 3.95Å; V185-E187 PolarHBondContact O-N 2.9Å; E187-P189 WeakPolarHBondContact O-CD 3.08Å
188E46.8Very low75.8Confident158 Ų15892.7 Ų92.774%0.73851%0.506SS*.  trans-53.2106.2138.5-159.3169.7-141.400102.3D186 A190D186-E188 PolarHBondContact O-N 2.85Å; E188-A190 PolarHBondContact O-N 3.18Å
189P51.2Low75.7Confident102 Ų10290.7 Ų90.766%0.66251%0.505SS*.  trans-52.6125.3178.7-13.425.7000103.5E187 E191E187-P189 WeakPolarHBondContact O-CD 3.08Å; P189-E191 PolarHBondContact O-N 3.45Å
190A54Low75.5Confident57 Ų5793.5 Ų93.547%0.47152%0.523SS..  trans-41.6121.5172.400000105.9E188 L192E188-A190 PolarHBondContact O-N 3.18Å; A190-L192 HydrophobicContact CB-CD2 4.31Å; A190-L192 HydrophobicContact CB-CG 4.14Å; A190-L192 VanDerWaalsContact O-CG 3.27Å; A190-L192 WeakPolarHBondContact O-CG 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å
191E56.8Low75.4Confident188 Ų188100.2 Ų100.288%0.87956%0.559SS**  trans-63.490.5-175.4-75.7-168.7157.600106.8P189P189-E191 PolarHBondContact O-N 3.45Å
192L73.3Confident75.2Confident53 Ų53100 Ų10028%0.27756%0.557SS.*PPolyproline II helixtrans-98.8139-177.2-69-178.9000106.7A190 V209 G210 V216A190-L192 HydrophobicContact CB-CD2 4.31Å; A190-L192 HydrophobicContact CB-CG 4.14Å; A190-L192 VanDerWaalsContact O-CG 3.27Å; A190-L192 WeakPolarHBondContact O-CG 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å; L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4Å; L192-V209 HydrophobicContact CG-CG1 4.41Å; L192-G210 VanDerWaalsContact CD1-C 3.45Å; L192-V216 HydrophobicContact CD2-CG1 3.94Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å
193P77Confident75.3Confident84 Ų8498.6 Ų98.655%0.54555%0.547SS..PPolyproline II helixtrans-59.2143.4179.425.2-33.8000110.4G195 V209P193-G195 PolarHBondContact O-N 2.88Å; P193-V209 HydrophobicContact CG-CB 3.97Å; P193-V209 HydrophobicContact CG-CG1 4.18Å; P193-V209 HydrophobicContact CG-CG2 3.81Å
194E74.3Confident75.5Confident185 Ų185101.1 Ų101.186%0.86456%0.556SS**PPolyproline II helixtrans-59.8136176.5-164.5176.5-179.800110.3
195G80.2Confident76.4Confident39 Ų39102.3 Ų102.340%0.40255%0.554SS.*PPolyproline II helixtrans-62.2140.6178.500000111.1P193 F207P193-G195 PolarHBondContact O-N 2.88Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å
196T86.6Confident77.6Confident96 Ų96101.6 Ų101.659%0.58955%0.545SS*.EExtended strand (participates in β ladder)trans-108153.1176.4-62.50000110.2F207T196-F207 PolarHBondContact N-O 2.73Å; T196-F207 VanDerWaalsContact N-O 3.15Å; T196-F207 PolarHBondContact O-N 3.23Å
197S90.8Very high79.6Confident60 Ų6097 Ų9742%0.4252%0.518SS..EExtended strand (participates in β ladder)trans-133.8152171.272.10000112.3F205S197-F205 CarbonylContact C-O 3.48Å; S197-F205 WeakPolarHBondContact CA-O 3.26Å; S197-F205 WeakPolarHBondContact CB-O 3.34Å
198L93.1Very high81.4Confident77 Ų7792.2 Ų92.240%0.40350%0.496SS..EExtended strand (participates in β ladder)trans-133142.2173.360.594.7000109.7V200 R204 F205 F207L198-V200 HydrophobicContact CD1-CG2 3.74Å; L198-R204 WeakPolarHBondContact O-CA 3.44Å; L198-F205 HydrophobicContact CD1-CB 3.99Å; L198-F205 HydrophobicContact CD1-CD2 3.73Å; L198-F205 HydrophobicContact CD1-CG 4.23Å; L198-F205 HydrophobicContact CG-CB 4.07Å; L198-F205 PolarHBondContact N-O 2.84Å; L198-F205 PolarHBondContact O-N 3.29Å; L198-F207 HydrophobicContact CD2-CD2 4.46Å; L198-F207 HydrophobicContact CD2-CE2 3.49Å; L198-F207 VanDerWaalsContact CD2-CE2 3.49Å; L198-F207 HydrophobicContact CD2-CZ 3.99Å; L198-F207 HydrophobicContact CG-CE2 3.96Å
199T92.4Very high83.4Confident89 Ų8986 Ų8655%0.54647%0.469SS..EExtended strand (participates in β ladder)trans-110.4128.3178.7-57.60000108.7K203T199-K203 WeakPolarHBondContact CA-O 3.2Å
200V91.8Very high85Confident71 Ų7182 Ų8243%0.4345%0.446SS..EExtended strand (participates in β ladder)trans-134.5121.8176.2-178.60000107.3L198 N202 K203L198-V200 HydrophobicContact CD1-CG2 3.74Å; V200-N202 PolarHBondContact O-N 2.86Å; V200-K203 PolarHBondContact N-O 2.88Å; V200-K203 WeakPolarHBondContact O-CA 3.41Å; V200-K203 WeakPolarHBondContact O-CB 3.35Å; V200-K203 PolarHBondContact O-N 2.81Å; V200-K203 VanDerWaalsContact O-O 3.07Å
201D88.9Confident86.3Confident157 Ų15782.5 Ų82.584%0.8445%0.447SS*.THydrogen-bonded Turntrans51.1-125.7-172.6-51.8-42.7000111.9K203D201-K203 VanDerWaalsContact C-N 3.33Å
202N89.6Confident87Confident116 Ų11677.1 Ų77.162%0.6242%0.424SS*.THydrogen-bonded Turntrans-95.726.5175.2-166.426.3000112.7V200V200-N202 PolarHBondContact O-N 2.86Å
203K92.6Very high86.4Confident68 Ų6879.5 Ų79.530%0.29643%0.432SS..EExtended strand (participates in β ladder)trans-123.3140.9178.3-59.5-177.6-177-152.90110.5T199 V200 D201 F205 E222 V223 K224T199-K203 WeakPolarHBondContact CA-O 3.2Å; V200-K203 PolarHBondContact N-O 2.88Å; V200-K203 WeakPolarHBondContact O-CA 3.41Å; V200-K203 WeakPolarHBondContact O-CB 3.35Å; V200-K203 PolarHBondContact O-N 2.81Å; V200-K203 VanDerWaalsContact O-O 3.07Å; D201-K203 VanDerWaalsContact C-N 3.33Å; K203-F205 HydrophobicContact CB-CE2 3.92Å; K203-F205 HydrophobicContact CB-CZ 4.37Å; K203-F205 HydrophobicContact CD-CE2 4.21Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; K203-E222 HydrophobicContact CD-CG 4.23Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.43Å; K203-E222 WeakPolarHBondContact CE-OE1 3.24Å; K203-E222 IonicContact NZ-OE1 3.28Å; K203-E222 PolarHBondContact NZ-OE1 2.97Å; K203-E222 IonicContact NZ-OE2 3.41Å; K203-V223 WeakPolarHBondContact CA-O 3.44Å; K203-K224 HydrophobicContact CG-CD 4.42Å; K203-K224 HydrophobicContact CG-CG 4.02Å
204R94.1Very high86.1Confident123 Ų12384.5 Ų84.546%0.46444%0.441SS..EExtended strand (participates in β ladder)trans-116.5128167.9-168176.6-66.8172.84.2109.7L198 F206 V223L198-R204 WeakPolarHBondContact O-CA 3.44Å; R204-F206 HydrophobicContact CB-CE2 4.08Å; R204-F206 HydrophobicContact CG-CD2 4.22Å; R204-F206 HydrophobicContact CG-CE2 3.7Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; R204-V223 PolarHBondContact N-O 2.84Å; R204-V223 PolarHBondContact O-N 2.86Å
205F96.3Very high86.3Confident51 Ų5177.4 Ų77.422%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-103.1126.2174.5-63.5-89.7000109.3S197 L198 K203 F207 S221 E222S197-F205 CarbonylContact C-O 3.48Å; S197-F205 WeakPolarHBondContact CA-O 3.26Å; S197-F205 WeakPolarHBondContact CB-O 3.34Å; L198-F205 HydrophobicContact CD1-CB 3.99Å; L198-F205 HydrophobicContact CD1-CD2 3.73Å; L198-F205 HydrophobicContact CD1-CG 4.23Å; L198-F205 HydrophobicContact CG-CB 4.07Å; L198-F205 PolarHBondContact N-O 2.84Å; L198-F205 PolarHBondContact O-N 3.29Å; K203-F205 HydrophobicContact CB-CE2 3.92Å; K203-F205 HydrophobicContact CB-CZ 4.37Å; K203-F205 HydrophobicContact CD-CE2 4.21Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; F205-F207 HydrophobicContact CB-CE2 3.86Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.44Å; F205-E222 HydrophobicContact CD1-CB 4Å; F205-E222 HydrophobicContact CD1-CG 4.31Å; F205-E222 HydrophobicContact CE1-CB 3.71Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å
206F93Very high86.6Confident58 Ų5877.9 Ų77.925%0.25441%0.412SS..EExtended strand (participates in β ladder)trans-108.6137.9175.6-65.7-95.7000110R204 V220 S221 V223R204-F206 HydrophobicContact CB-CE2 4.08Å; R204-F206 HydrophobicContact CG-CD2 4.22Å; R204-F206 HydrophobicContact CG-CE2 3.7Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; F206-V220 CarbonylContact O-C 3.53Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.33Å; F206-S221 PolarHBondContact N-O 3.19Å; F206-S221 PolarHBondContact O-N 2.89Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.67Å
207F95.6Very high86.9Confident65 Ų6574.9 Ų74.929%0.28539%0.392SS..EExtended strand (participates in β ladder)trans-12186.8178.1-61.2-98.3000107.9G195 T196 L198 F205 M218 V220G195-F207 WeakPolarHBondContact CA-O 3.49Å; T196-F207 PolarHBondContact N-O 2.73Å; T196-F207 VanDerWaalsContact N-O 3.15Å; T196-F207 PolarHBondContact O-N 3.23Å; L198-F207 HydrophobicContact CD2-CD2 4.46Å; L198-F207 HydrophobicContact CD2-CE2 3.49Å; L198-F207 VanDerWaalsContact CD2-CE2 3.49Å; L198-F207 HydrophobicContact CD2-CZ 3.99Å; L198-F207 HydrophobicContact CG-CE2 3.96Å; F205-F207 HydrophobicContact CB-CE2 3.86Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.1Å; F207-V220 HydrophobicContact CD1-CG1 4.1Å; F207-V220 HydrophobicContact CD1-CG2 3.85Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.08Å; F207-V220 HydrophobicContact CZ-CG1 4.18Å
208D91.6Very high87.1Confident40 Ų4074.5 Ų74.521%0.21438%0.384CS..EExtended strand (participates in β ladder)trans-96.3120.6-176.6-49.9-42.9000109.4M218 R219D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.29Å; D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.09Å; D208-R219 PolarHBondContact O-N 2.85Å; D208-R219 IonicContact OD2-CZ 3.7Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.49Å; D208-R219 IonicContact OD2-NH2 2.7Å; D208-R219 PolarHBondContact OD2-NH2 3.42Å
209V88.9Confident87.2Confident27 Ų2775.1 Ų75.116%0.16438%0.381CS..EExtended strand (participates in β ladder)trans-85.5127.2167.6-178.10000108.6L192 P193 V216 F217 M218 W238L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4Å; L192-V209 HydrophobicContact CG-CG1 4.41Å; P193-V209 HydrophobicContact CG-CB 3.97Å; P193-V209 HydrophobicContact CG-CG1 4.18Å; P193-V209 HydrophobicContact CG-CG2 3.81Å; V209-V216 HydrophobicContact CG1-CG1 3.68Å; V209-F217 WeakPolarHBondContact CA-O 3.49Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.41Å; V209-W238 HydrophobicContact CG2-CH2 4.14Å
210G84.8Confident87.3Confident18 Ų1872.2 Ų72.219%0.18636%0.363CS..EExtended strand (participates in β ladder)trans-134.7160.3178.400000111L192 V216 F217L192-G210 VanDerWaalsContact CD1-C 3.45Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.32Å; G210-F217 PolarHBondContact N-O 2.9Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.2Å; G210-F217 PolarHBondContact O-N 2.82Å; G210-F217 VanDerWaalsContact O-O 3.06Å
211S80.6Confident87.5Confident68 Ų6868.9 Ų68.948%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-115146.5169.957.60000109.4
212N72.5Confident87.7Confident74 Ų7463.4 Ų63.440%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-143.1-177.316565.537.4000108.6Y214 G215 F217N212-Y214 PolarHBondContact O-N 2.8Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.45Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Y214 PolarHBondContact OD1-N 3.16Å; N212-G215 PolarHBondContact N-O 2.96Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 3.33Å; N212-F217 HydrophobicContact CB-CD1 4.48Å; N212-F217 HydrophobicContact CB-CE1 3.94Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.47Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.3Å
213K60.1Low87.9Confident103 Ų10359.8 Ų59.845%0.44829%0.294SS..THydrogen-bonded Turntrans-56.5-14.8178.367.4177.9-172.3158.50116K59K59-K213 HydrophobicContact CB-CD 4.18Å; K59-K213 HydrophobicContact CG-CD 3.74Å
214Y71Confident87.9Confident189 Ų18960.3 Ų60.374%0.74130%0.296SS*.THydrogen-bonded Turntrans-97.22.3176.9-58.6-70.1000112.8N212N212-Y214 PolarHBondContact O-N 2.8Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.45Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Y214 PolarHBondContact OD1-N 3.16Å
215G77.1Confident87.5Confident36 Ų3659.7 Ų59.737%0.37131%0.308SS..EExtended strand (participates in β ladder)trans111.3-172.9-179.700000113.3N212N212-G215 PolarHBondContact N-O 2.96Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 3.33Å
216V88.3Confident87.2Confident49 Ų4963.9 Ų63.930%0.29734%0.338SS..EExtended strand (participates in β ladder)trans-72140.2175.5-178.30000109.9L192 V209 G210 C235 W238L192-V216 HydrophobicContact CD2-CG1 3.94Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å; V209-V216 HydrophobicContact CG1-CG1 3.68Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.32Å; V216-C235 HydrophobicContact CB-CB 3.89Å; V216-C235 HydrophobicContact CG1-CB 4.21Å; V216-C235 WeakPolarHBondContact O-CB 3.3Å; V216-C235 PolarHBondContact O-N 3.17Å; V216-W238 HydrophobicContact CG1-CH2 3.72Å; V216-W238 HydrophobicContact CG1-CZ2 4.11Å
217F92.3Very high86.8Confident34 Ų3466.9 Ų66.915%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-143.2158.4178.267.4-90.4000110.8V209 G210 N212 R219 T232 V233V209-F217 WeakPolarHBondContact CA-O 3.49Å; G210-F217 PolarHBondContact N-O 2.9Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.2Å; G210-F217 PolarHBondContact O-N 2.82Å; G210-F217 VanDerWaalsContact O-O 3.06Å; N212-F217 HydrophobicContact CB-CD1 4.48Å; N212-F217 HydrophobicContact CB-CE1 3.94Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.47Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.3Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; F217-T232 HydrophobicContact CB-CG2 3.84Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.29Å; F217-T232 HydrophobicContact CG-CG2 3.81Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.46Å
218M94.6Very high86.7Confident51 Ų5170.9 Ų70.925%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-111.4127.3171.4-177.2-179.4-70.300108F207 D208 V209 V220 V233 W238F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.1Å; D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.29Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.2Å; M218-V233 PolarHBondContact N-O 2.84Å; M218-V233 PolarHBondContact O-N 2.82Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å
219R94.7Very high86.7Confident90 Ų9072.6 Ų72.634%0.3437%0.371SS..EExtended strand (participates in β ladder)trans-98.6115.6171-175.1176.860.8-149.4-3.9108.8D208 F217 I231D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.09Å; D208-R219 PolarHBondContact O-N 2.85Å; D208-R219 IonicContact OD2-CZ 3.7Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.49Å; D208-R219 IonicContact OD2-NH2 2.7Å; D208-R219 PolarHBondContact OD2-NH2 3.42Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; R219-I231 WeakPolarHBondContact CA-O 3.38Å
220V95.5Very high87Confident29 Ų2974 Ų7418%0.17638%0.382CS..EExtended strand (participates in β ladder)trans-98.4112.3173.8-173.50000107.7F206 F207 M218 S230 I231F206-V220 CarbonylContact O-C 3.53Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.33Å; F207-V220 HydrophobicContact CD1-CG1 4.1Å; F207-V220 HydrophobicContact CD1-CG2 3.85Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.08Å; F207-V220 HydrophobicContact CZ-CG1 4.18Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.2Å; V220-S230 VanDerWaalsContact O-CA 3.24Å; V220-S230 WeakPolarHBondContact O-CA 3.31Å; V220-I231 HydrophobicContact CB-CD1 4.44Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 2.81Å; V220-I231 PolarHBondContact O-N 2.85Å
221S95.3Very high87.5Confident0 Ų077.3 Ų77.30%039%0.394CS..EExtended strand (participates in β ladder)trans-111.2126.7-178.2-51.10000111.2F205 F206 N229F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.44Å; F206-S221 PolarHBondContact N-O 3.19Å; F206-S221 PolarHBondContact O-N 2.89Å; S221-N229 CarbonylContact C-O 3.53Å; S221-N229 VanDerWaalsContact CA-O 3.25Å; S221-N229 WeakPolarHBondContact CA-O 3.45Å
222E94.4Very high88.2Confident43 Ų4378 Ų7820%0.20140%0.396CS..EExtended strand (participates in β ladder)trans-90.6124163.7-179.8-176.6157.800108.9K203 F205 R228 N229K203-E222 HydrophobicContact CD-CG 4.23Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.43Å; K203-E222 WeakPolarHBondContact CE-OE1 3.24Å; K203-E222 IonicContact NZ-OE1 3.28Å; K203-E222 PolarHBondContact NZ-OE1 2.97Å; K203-E222 IonicContact NZ-OE2 3.41Å; F205-E222 HydrophobicContact CD1-CB 4Å; F205-E222 HydrophobicContact CD1-CG 4.31Å; F205-E222 HydrophobicContact CE1-CB 3.71Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å; E222-R228 WeakPolarHBondContact O-CA 3.4Å; E222-N229 PolarHBondContact N-O 2.81Å; E222-N229 PolarHBondContact O-N 3.48Å
223V93.1Very high89.3Confident39 Ų3975 Ų7524%0.23638%0.381CS..EExtended strand (participates in β ladder)trans-123.6129.2-178.9-1750000110.5K203 R204 F206 R228K203-V223 WeakPolarHBondContact CA-O 3.44Å; R204-V223 PolarHBondContact N-O 2.84Å; R204-V223 PolarHBondContact O-N 2.86Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.67Å; V223-R228 HydrophobicContact CG2-CG 4.01Å
224K91.3Very high90.9Very high79 Ų7972.9 Ų72.934%0.34338%0.377SS..EExtended strand (participates in β ladder)trans-121.4165.3166-69.3-174.1176.9-1770108.9K203 T226 Y227K203-K224 HydrophobicContact CG-CD 4.42Å; K203-K224 HydrophobicContact CG-CG 4.02Å; K224-T226 PolarHBondContact O-N 3.42Å; K224-T226 VanDerWaalsContact O-N 3.11Å; K224-Y227 PolarHBondContact N-O 3.13Å; K224-Y227 PolarHBondContact O-N 3.02Å; K224-Y227 VanDerWaalsContact O-O 3.05Å
225P86.8Confident91.9Very high111 Ų11166.5 Ų66.572%0.72136%0.36SS*.THydrogen-bonded Turntrans-53.2-34.4177.1-28.936.1000114.6
226T88.9Confident92.6Very high139 Ų13974 Ų7485%0.85338%0.382SS*.THydrogen-bonded Turntrans-109.1-6.2-175.554.70000114.4K224K224-T226 PolarHBondContact O-N 3.42Å; K224-T226 VanDerWaalsContact O-N 3.11Å
227Y86.6Confident92.9Very high121 Ų12174.1 Ų74.148%0.47538%0.383SS..EExtended strand (participates in β ladder)trans-148.1137.4-169.8179.2-106.5000111.9K224 N229K224-Y227 PolarHBondContact N-O 3.13Å; K224-Y227 PolarHBondContact O-N 3.02Å; K224-Y227 VanDerWaalsContact O-O 3.05Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.34Å; Y227-N229 PolarHBondContact OH-ND2 2.87Å
228R91.9Very high93Very high148 Ų14875.9 Ų75.956%0.55839%0.388SS*.EExtended strand (participates in β ladder)trans-133.5124.9173.2178.8167.9-175.8-135.92.1109.8E222 V223E222-R228 WeakPolarHBondContact O-CA 3.4Å; V223-R228 HydrophobicContact CG2-CG 4.01Å
229N93.2Very high92.9Very high77 Ų7777.9 Ų77.941%0.41241%0.407SS..EExtended strand (participates in β ladder)trans-119.8151172.3-162.19.6000109.9S221 E222 Y227S221-N229 CarbonylContact C-O 3.53Å; S221-N229 VanDerWaalsContact CA-O 3.25Å; S221-N229 WeakPolarHBondContact CA-O 3.45Å; E222-N229 PolarHBondContact N-O 2.81Å; E222-N229 PolarHBondContact O-N 3.48Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.34Å; Y227-N229 PolarHBondContact OH-ND2 2.87Å
230S95Very high93Very high57 Ų5781.2 Ų81.240%0.39942%0.424SS..EExtended strand (participates in β ladder)trans-153.3145.3175.962.60000112.9V220V220-S230 VanDerWaalsContact O-CA 3.24Å; V220-S230 WeakPolarHBondContact O-CA 3.31Å
231I95.1Very high93Very high86 Ų8684.9 Ų84.944%0.44144%0.438SS..EExtended strand (participates in β ladder)trans-111.5155.5166.763.1169.4000110.1R219 V220 V233 F241R219-I231 WeakPolarHBondContact CA-O 3.38Å; V220-I231 HydrophobicContact CB-CD1 4.44Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 2.81Å; V220-I231 PolarHBondContact O-N 2.85Å; I231-V233 HydrophobicContact CD1-CG2 3.96Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; I231-F241 HydrophobicContact CD1-CZ 4.24Å
232T94.5Very high92.9Very high84 Ų8486.3 Ų86.352%0.51545%0.453SS..EExtended strand (participates in β ladder)trans-118.6121.3173.3-63.30000109.1F217F217-T232 HydrophobicContact CB-CG2 3.84Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.29Å; F217-T232 HydrophobicContact CG-CG2 3.81Å
233V94.9Very high93Very high11 Ų1189.8 Ų89.87%0.06747%0.473CS..EExtended strand (participates in β ladder)trans-111.6113.2-177.8-168.20000108.9F217 M218 I231 V237 W238 F241F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.46Å; M218-V233 PolarHBondContact N-O 2.84Å; M218-V233 PolarHBondContact O-N 2.82Å; I231-V233 HydrophobicContact CD1-CG2 3.96Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; V233-V237 HydrophobicContact CG1-CG2 3.65Å; V233-W238 PolarHBondContact O-NE1 3.46Å; V233-F241 HydrophobicContact CG1-CB 4.45Å; V233-F241 HydrophobicContact CG1-CD2 4.21Å; V233-F241 HydrophobicContact CG1-CG 4.3Å; V233-F241 HydrophobicContact CG2-CE2 4.37Å
234P94.1Very high93.2Very high58 Ų5891.4 Ų91.438%0.37748%0.483SS..EExtended strand (participates in β ladder)trans-63.6142.3176.8-23.134.3000112.6K236 V237 W238P234-K236 HydrophobicContact CB-CG 4.13Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 VanDerWaalsContact O-CG2 3.31Å; P234-V237 WeakPolarHBondContact O-CG2 3.24Å; P234-V237 PolarHBondContact O-N 3.42Å; P234-W238 VanDerWaalsContact O-CD1 3.23Å
235C92.6Very high93.4Very high55 Ų5594.8 Ų94.837%0.37250%0.498SS..G310 helixtrans-53.2-40.1-177.7178.40000113.4V216 V237 W238V216-C235 HydrophobicContact CB-CB 3.89Å; V216-C235 HydrophobicContact CG1-CB 4.21Å; V216-C235 WeakPolarHBondContact O-CB 3.3Å; V216-C235 PolarHBondContact O-N 3.17Å; C235-V237 PolarHBondContact O-N 2.86Å; C235-W238 VanDerWaalsContact CA-CE2 3.47Å; C235-W238 HydrophobicContact CB-CD2 4.15Å; C235-W238 HydrophobicContact CB-CE3 4.34Å; C235-W238 HydrophobicContact CB-CH2 4.2Å; C235-W238 HydrophobicContact CB-CZ2 3.98Å; C235-W238 HydrophobicContact CB-CZ3 4.37Å; C235-W238 WeakPolarHBondContact O-CB 3.35Å; C235-W238 PolarHBondContact O-N 3.41Å
236K91.5Very high93.8Very high192 Ų19292.9 Ų92.984%0.83549%0.486SS*.G310 helixtrans-56.1-16.2178.470-177.7-178.7179.50115.4P234P234-K236 HydrophobicContact CB-CG 4.13Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å
237V94.8Very high94.2Very high52 Ų5291.7 Ų91.732%0.31547%0.469SS..G310 helixtrans-1140178.3-51.90000114.2V233 P234 C235 S239 K240 F241V233-V237 HydrophobicContact CG1-CG2 3.65Å; P234-V237 VanDerWaalsContact O-CG2 3.31Å; P234-V237 WeakPolarHBondContact O-CG2 3.24Å; P234-V237 PolarHBondContact O-N 3.42Å; C235-V237 PolarHBondContact O-N 2.86Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.14Å; V237-K240 PolarHBondContact O-N 2.8Å; V237-K240 VanDerWaalsContact O-N 3.13Å; V237-F241 PolarHBondContact O-N 3.49Å
238W94.4Very high94.7Very high72 Ų7292.1 Ų92.127%0.27347%0.471SS..Hα-helixtrans-56.4-44.5-175.1-71.8-5.1000112.9V209 V216 M218 V233 P234 C235 K240 F241 G242V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.41Å; V209-W238 HydrophobicContact CG2-CH2 4.14Å; V216-W238 HydrophobicContact CG1-CH2 3.72Å; V216-W238 HydrophobicContact CG1-CZ2 4.11Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å; V233-W238 PolarHBondContact O-NE1 3.46Å; P234-W238 VanDerWaalsContact O-CD1 3.23Å; C235-W238 VanDerWaalsContact CA-CE2 3.47Å; C235-W238 HydrophobicContact CB-CD2 4.15Å; C235-W238 HydrophobicContact CB-CE3 4.34Å; C235-W238 HydrophobicContact CB-CH2 4.2Å; C235-W238 HydrophobicContact CB-CZ2 3.98Å; C235-W238 HydrophobicContact CB-CZ3 4.37Å; C235-W238 WeakPolarHBondContact O-CB 3.35Å; C235-W238 PolarHBondContact O-N 3.41Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 2.74Å; W238-F241 PolarHBondContact O-N 2.82Å; W238-G242 PolarHBondContact O-N 2.91Å
239S93.4Very high94.9Very high92 Ų9287.3 Ų87.364%0.64346%0.463SS*.Hα-helixtrans-59.9-42.4178.8-47.30000112.2V237 N243V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.14Å; S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.2Å; S239-N243 PolarHBondContact O-N 2.85Å; S239-N243 PolarHBondContact O-ND2 2.82Å; S239-N243 PolarHBondContact O-OD1 3.08Å
240K95.3Very high95Very high160 Ų16088.4 Ų88.470%0.69647%0.466SS*.Hα-helixtrans-67.7-41.6177.5-67.5-177.3179.4-179.30111.5V237 W238 T244V237-K240 PolarHBondContact O-N 2.8Å; V237-K240 VanDerWaalsContact O-N 3.13Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 2.74Å; K240-T244 WeakPolarHBondContact O-CB 3.39Å; K240-T244 PolarHBondContact O-N 2.64Å; K240-T244 VanDerWaalsContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 2.61Å
241F95.4Very high95Very high107 Ų10789.5 Ų89.547%0.46946%0.464SS..Hα-helixtrans-63-48.9178.4-167.2-84.1000111I231 V233 V237 W238 T244 F245I231-F241 HydrophobicContact CD1-CZ 4.24Å; V233-F241 HydrophobicContact CG1-CB 4.45Å; V233-F241 HydrophobicContact CG1-CD2 4.21Å; V233-F241 HydrophobicContact CG1-CG 4.3Å; V233-F241 HydrophobicContact CG2-CE2 4.37Å; V237-F241 PolarHBondContact O-N 3.49Å; W238-F241 PolarHBondContact O-N 2.82Å; F241-T244 PolarHBondContact O-N 3.2Å; F241-F245 PolarHBondContact O-N 2.86Å
242G94.3Very high95Very high30 Ų3090.7 Ų90.731%0.30947%0.469SS..Hα-helixtrans-61.4-48.4177.200000112.8W238 T244 F245 C246W238-G242 PolarHBondContact O-N 2.91Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 2.82Å; G242-F245 WeakPolarHBondContact O-CB 3.38Å; G242-F245 PolarHBondContact O-N 3.46Å; G242-C246 PolarHBondContact O-N 3.19Å; G242-C246 PolarHBondContact O-SG 2.94Å
243N95.8Very high95Very high115 Ų11593.1 Ų93.162%0.61547%0.469SS*.Hα-helixtrans-58.5-41.5177.8-70.3-6.8000112.1S239 F245 C246 K247S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.2Å; S239-N243 PolarHBondContact O-N 2.85Å; S239-N243 PolarHBondContact O-ND2 2.82Å; S239-N243 PolarHBondContact O-OD1 3.08Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-C246 PolarHBondContact O-N 2.88Å; N243-K247 WeakPolarHBondContact O-CB 3.41Å; N243-K247 PolarHBondContact O-N 2.85Å
244T96.8Very high94.9Very high74 Ų7497.9 Ų97.945%0.45449%0.489SS..Hα-helixtrans-63-42.9176.5-55.60000111K240 F241 G242 K247 Y248K240-T244 WeakPolarHBondContact O-CB 3.39Å; K240-T244 PolarHBondContact O-N 2.64Å; K240-T244 VanDerWaalsContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 2.61Å; F241-T244 PolarHBondContact O-N 3.2Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 2.82Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-Y248 HydrophobicContact CG2-CD2 3.88Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.22Å; T244-Y248 PolarHBondContact O-N 2.86Å
245F95.8Very high94.9Very high149 Ų14998.7 Ų98.765%0.65449%0.489SS*.Hα-helixtrans-63-46.9177.2-167.4-90.7000112.2F241 G242 N243 K247 Y248 A249F241-F245 PolarHBondContact O-N 2.86Å; G242-F245 WeakPolarHBondContact O-CB 3.38Å; G242-F245 PolarHBondContact O-N 3.46Å; N243-F245 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.75Å; F245-A249 PolarHBondContact O-N 2.82Å
246C96.6Very high94.8Very high71 Ų71102.6 Ų102.648%0.4850%0.502SS..Hα-helixtrans-59.6-44.2177.2-68.80000112.2G242 N243 Y248 A249 E250G242-C246 PolarHBondContact O-N 3.19Å; G242-C246 PolarHBondContact O-SG 2.94Å; N243-C246 PolarHBondContact O-N 2.88Å; C246-Y248 PolarHBondContact O-N 2.93Å; C246-A249 WeakPolarHBondContact O-CB 3.2Å; C246-A249 PolarHBondContact O-N 2.83Å; C246-E250 PolarHBondContact O-N 3.35Å
247K96.6Very high94.8Very high115 Ų11597.2 Ų97.250%0.548%0.48SS..Hα-helixtrans-55.3-50.5176.2179-174.2171.3-1750111.4N243 T244 F245 A249 E250 E251N243-K247 WeakPolarHBondContact O-CB 3.41Å; N243-K247 PolarHBondContact O-N 2.85Å; T244-K247 PolarHBondContact O-N 3.49Å; F245-K247 PolarHBondContact O-N 2.77Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.89Å; K247-E250 PolarHBondContact O-N 3.42Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 3.98Å; K247-E251 PolarHBondContact O-N 2.74Å
248Y97.2Very high94.6Very high130 Ų130101.2 Ų101.251%0.5149%0.489SS..Hα-helixtrans-67.9-32.9-179.9-75.8-59.4000112.9T244 F245 C246 E250 E251 M252T244-Y248 HydrophobicContact CG2-CD2 3.88Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.22Å; T244-Y248 PolarHBondContact O-N 2.86Å; F245-Y248 PolarHBondContact O-N 2.75Å; C246-Y248 PolarHBondContact O-N 2.93Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 2.94Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.3Å; Y248-E251 PolarHBondContact O-N 3.01Å; Y248-M252 WeakPolarHBondContact O-CB 3.24Å; Y248-M252 WeakPolarHBondContact O-CG 3.3Å; Y248-M252 PolarHBondContact O-N 3.32Å
249A95.4Very high94.2Very high47 Ų47101.3 Ų101.339%0.38850%0.501SS..Hα-helixtrans-62.5-39.6174.100000112.1F245 C246 K247 R253F245-A249 PolarHBondContact O-N 2.82Å; C246-A249 WeakPolarHBondContact O-CB 3.2Å; C246-A249 PolarHBondContact O-N 2.83Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.89Å; A249-R253 PolarHBondContact O-N 3.39Å; A249-R253 VanDerWaalsContact O-N 3.13Å
250E94.9Very high93.9Very high100 Ų100105.8 Ų105.847%0.46750%0.504SS..Hα-helixtrans-68.6-42.4174.3-70.6179.6179.800112.9C246 K247 Y248 M252 R253 K254C246-E250 PolarHBondContact O-N 3.35Å; K247-E250 PolarHBondContact O-N 3.42Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 2.94Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.36Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.81Å; E250-K254 WeakPolarHBondContact O-CG 3.33Å; E250-K254 PolarHBondContact O-N 2.75Å; E250-K254 VanDerWaalsContact O-N 3.07Å
251E96Very high93.3Very high79 Ų79104.1 Ų104.137%0.36950%0.498SS..Hα-helixtrans-60.7-42.8176.4-73.7-179.7178.600111.5K247 Y248 R253 K254 I255K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 3.98Å; K247-E251 PolarHBondContact O-N 2.74Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.3Å; Y248-E251 PolarHBondContact O-N 3.01Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.28Å; E251-K254 PolarHBondContact O-N 2.98Å; E251-I255 WeakPolarHBondContact O-CG1 3.21Å; E251-I255 PolarHBondContact O-N 3.48Å
252M94.6Very high92.7Very high111 Ų111105.7 Ų105.755%0.54751%0.505SS..Hα-helixtrans-63.7-38.6175.8-74.7-64.7171.300112.5Y248 E250 I255 Q256Y248-M252 WeakPolarHBondContact O-CB 3.24Å; Y248-M252 WeakPolarHBondContact O-CG 3.3Å; Y248-M252 PolarHBondContact O-N 3.32Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.36Å; M252-I255 PolarHBondContact O-N 2.8Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; M252-Q256 WeakPolarHBondContact O-CG 3.3Å; M252-Q256 PolarHBondContact O-N 2.74Å
253R94.1Very high92.1Very high135 Ų135112.9 Ų112.951%0.50952%0.523SS..Hα-helixtrans-59.8-47.2174.8-164.6-169-44164.310.5111.6A249 E250 E251 I255 Q256 E257A249-R253 PolarHBondContact O-N 3.39Å; A249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.81Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.28Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.77Å; R253-Q256 PolarHBondContact O-N 3.11Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 3.3Å
254K93.9Very high91.2Very high111 Ų111110.1 Ų110.148%0.48352%0.516SS..Hα-helixtrans-61.3-36.5176.8-69173.1-178.1172.60112.4E250 E251 R258E250-K254 WeakPolarHBondContact O-CG 3.33Å; E250-K254 PolarHBondContact O-N 2.75Å; E250-K254 VanDerWaalsContact O-N 3.07Å; E251-K254 PolarHBondContact O-N 2.98Å; K254-R258 WeakPolarHBondContact O-CG 3.25Å; K254-R258 PolarHBondContact O-N 2.8Å; K254-R258 VanDerWaalsContact O-N 3.09Å
255I93.9Very high90.2Very high76 Ų76110 Ų11039%0.3952%0.519SS..Hα-helixtrans-65.5-47.6175.2-67.5165.8000110E251 M252 R253 E257 R258 S259E251-I255 WeakPolarHBondContact O-CG1 3.21Å; E251-I255 PolarHBondContact O-N 3.48Å; M252-I255 PolarHBondContact O-N 2.8Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.77Å; I255-E257 PolarHBondContact O-N 2.95Å; I255-R258 PolarHBondContact O-N 2.92Å; I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 2.78Å; I255-S259 PolarHBondContact O-OG 2.67Å
256Q90.5Very high89Confident136 Ų136110.5 Ų110.564%0.63652%0.523SS*.Hα-helixtrans-62.1-41.3179.2-71.51760.700112.4M252 R253 S259 R260M252-Q256 WeakPolarHBondContact O-CG 3.3Å; M252-Q256 PolarHBondContact O-N 2.74Å; R253-Q256 PolarHBondContact O-N 3.11Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; Q256-S259 PolarHBondContact O-N 2.9Å; Q256-R260 WeakPolarHBondContact O-CB 3.42Å; Q256-R260 PolarHBondContact O-N 2.9Å
257E91.6Very high87.5Confident80 Ų80113.4 Ų113.437%0.37453%0.533SS..Hα-helixtrans-61.2-50.6175.6-75167177.200111.4R253 I255 S259 R260 E261R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.18Å; E257-R260 WeakPolarHBondContact O-CB 3.32Å; E257-R260 PolarHBondContact O-N 2.83Å; E257-R260 VanDerWaalsContact O-N 3.07Å; E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.12Å
258R90.3Very high85.6Confident136 Ų136114.2 Ų114.251%0.51354%0.542SS..Hα-helixtrans-60.1-40.2175.9-74.7-172-61.5-115.50.8112.8K254 I255 R260 K262K254-R258 WeakPolarHBondContact O-CG 3.25Å; K254-R258 PolarHBondContact O-N 2.8Å; K254-R258 VanDerWaalsContact O-N 3.09Å; I255-R258 PolarHBondContact O-N 2.92Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R258-K262 WeakPolarHBondContact O-CB 3.28Å; R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.07Å
259S85.1Confident83.6Confident73 Ų73113.5 Ų113.551%0.5155%0.553SS.*Hα-helixtrans-64.6-37.1175.6-710000111.9I255 Q256 E257 R263I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 2.78Å; I255-S259 PolarHBondContact O-OG 2.67Å; Q256-S259 PolarHBondContact O-N 2.9Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.18Å; S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 3.47Å
260R87.4Confident81.6Confident186 Ų186120.7 Ų120.770%0.70258%0.579SS**Hα-helixtrans-69.8-43.2176.7-169.7176.972.8178.32.8111.8Q256 E257 R258 R263 A264Q256-R260 WeakPolarHBondContact O-CB 3.42Å; Q256-R260 PolarHBondContact O-N 2.9Å; E257-R260 WeakPolarHBondContact O-CB 3.32Å; E257-R260 PolarHBondContact O-N 2.83Å; E257-R260 VanDerWaalsContact O-N 3.07Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R260-R263 PolarHBondContact O-N 2.96Å; R260-A264 WeakPolarHBondContact O-CB 3.31Å; R260-A264 PolarHBondContact O-N 2.93Å
261E83.9Confident79.5Confident126 Ų126119.3 Ų119.359%0.58959%0.592SS**Hα-helixtrans-62.4-45.8176.6-74.3171179.900111.7E257 R263 A264 S265E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.12Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 2.89Å; E261-A264 PolarHBondContact O-N 3.05Å; E261-A264 VanDerWaalsContact O-N 3.16Å; E261-S265 PolarHBondContact O-N 2.83Å; E261-S265 PolarHBondContact O-OG 3.18Å
262K82.9Confident77.1Confident139 Ų139124.5 Ų124.560%0.60462%0.616SS**Hα-helixtrans-58.2-45.2174.8-76.9-177.7176.9-167.60112.5R258 A264 S265 E266R258-K262 WeakPolarHBondContact O-CB 3.28Å; R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.07Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.3Å; K262-S265 WeakPolarHBondContact CA-OG 3.46Å; K262-S265 PolarHBondContact O-N 2.69Å; K262-S265 PolarHBondContact O-OG 3.17Å; K262-E266 WeakPolarHBondContact O-CG 3.32Å; K262-E266 PolarHBondContact O-N 3Å; K262-E266 VanDerWaalsContact O-N 3.09Å
263R79.9Confident74.9Confident181 Ų181128.4 Ų128.468%0.68363%0.632SS**Hα-helixtrans-66.4-34.1177.7-168.5177-179.7-178.30.6112.2S259 R260 E261 L267S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 3.47Å; R260-R263 PolarHBondContact O-N 2.96Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 2.89Å; R263-L267 HydrophobicContact CG-CD1 4.47Å; R263-L267 WeakPolarHBondContact O-CD1 3.2Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å
264A77.6Confident72.8Confident58 Ų58124.7 Ų124.748%0.47964%0.636SS.*Hα-helixtrans-70.8-36.9175.600000112.2R260 E261 K262 L267R260-A264 WeakPolarHBondContact O-CB 3.31Å; R260-A264 PolarHBondContact O-N 2.93Å; E261-A264 PolarHBondContact O-N 3.05Å; E261-A264 VanDerWaalsContact O-N 3.16Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.3Å; A264-L267 PolarHBondContact O-N 3.09Å
265S76.8Confident70.9Confident72 Ų72126.6 Ų126.650%0.50365%0.652SS.*Hα-helixtrans-69.9-32.7175.954.70000113.4E261 K262 L267 L268E261-S265 PolarHBondContact O-N 2.83Å; E261-S265 PolarHBondContact O-OG 3.18Å; K262-S265 WeakPolarHBondContact CA-OG 3.46Å; K262-S265 PolarHBondContact O-N 2.69Å; K262-S265 PolarHBondContact O-OG 3.17Å; S265-L267 PolarHBondContact O-N 2.98Å; S265-L268 PolarHBondContact O-N 3.18Å
266E70.3Confident68.9Low159 Ų159130.7 Ų130.774%0.74367%0.674SS**THydrogen-bonded Turntrans-73.6-12.8176.7-73170-176.700113.6K262K262-E266 WeakPolarHBondContact O-CG 3.32Å; K262-E266 PolarHBondContact O-N 3Å; K262-E266 VanDerWaalsContact O-N 3.09Å
267L64.7Low67.1Low131 Ų131126.9 Ų126.969%0.68667%0.671SS**THydrogen-bonded Turntrans-97.7-2.2178.4-75.1165.5000113.4R263 A264 S265R263-L267 HydrophobicContact CG-CD1 4.47Å; R263-L267 WeakPolarHBondContact O-CD1 3.2Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å; A264-L267 PolarHBondContact O-N 3.09Å; S265-L267 PolarHBondContact O-N 2.98Å
268L57.4Low65.6Low132 Ų132130.8 Ų130.869%0.69170%0.695SS**SBendtrans-81.4118.7169.8-70.9168.9000108.3S265 E270S265-L268 PolarHBondContact O-N 3.18Å; L268-E270 PolarHBondContact O-N 3.44Å
269P54.7Low63.8Low116 Ų116132 Ų13275%0.75371%0.712SS**  trans-64.7133.6174.1-7.421.7000108.6G271P269-G271 PolarHBondContact O-N 2.83Å
270E53.9Low62.3Low197 Ų197139.9 Ų139.992%0.92175%0.748SS**  trans-55.4107162.7-74.4-173.3149.700107.4L268 Q272L268-E270 PolarHBondContact O-N 3.44Å; E270-Q272 PolarHBondContact O-N 3.28Å
271G49.4Very low61Low72 Ų72137.6 Ų137.674%0.74275%0.75SS**  trans-61.6111.6174.500000108.5P269 H273P269-G271 PolarHBondContact O-N 2.83Å; G271-H273 PolarHBondContact O-N 3.47Å
272Q46.5Very low59.8Low187 Ų187138.2 Ų138.287%0.87476%0.759SS**  trans14.497.6155.9-80.1156.4400114E270 G274E270-Q272 PolarHBondContact O-N 3.28Å; Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 3.22Å
273H47.1Very low58.6Low193 Ų193138.2 Ų138.289%0.89477%0.767SS**  trans-59.2106.4154.5-139.8-6.3000105.6G271 D275G271-H273 PolarHBondContact O-N 3.47Å; H273-D275 PolarHBondContact O-N 3.23Å
274G49.8Very low57.3Low57 Ų57135.6 Ų135.659%0.58877%0.772SS**  trans-55.2109.9173.600000108.5Q272 D276Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 3.22Å; G274-D276 PolarHBondContact O-N 3.31Å
275D54.8Low56Low152 Ų152140.5 Ų140.581%0.81379%0.791SS**  trans-63.785160.3-178.946.2000106.9H273 G277H273-D275 PolarHBondContact O-N 3.23Å; D275-G277 PolarHBondContact O-N 3.02Å
276D53.2Low54.7Low162 Ų162145.1 Ų145.187%0.86681%0.81SS**  trans-82.683.7160.5-76.9-28.9000106.2G274G274-D276 PolarHBondContact O-N 3.31Å
277G51.8Low53.5Low55 Ų55144.1 Ų144.157%0.56782%0.815SS**  trans-59.9143.6165.900000111D275D275-G277 PolarHBondContact O-N 3.02Å
278D59.1Low52.7Low162 Ų162145.1 Ų145.187%0.86683%0.825SS**  trans-46.6140168.4-69.4-50000112.3
279D53.4Low52.3Low163 Ų163146.2 Ų146.287%0.87284%0.836SS**  trans-154.8119.2142.5-112.6-22.6000110.5
280D53.8Low52.1Low238 Ų238148.9 Ų148.9100%1.27384%0.843SS**  trans28.50163.5-93.9-18.6000122.1

Retrieved 280 of 280 residues in 1224.7 ms (Link to these results)