A0A077Z9L6_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z9L6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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
1M48.4Very low46.1Very low230 Ų230152.9 Ų152.9100%1.13384%0.842SS**  091.30-57.9-165.1-166.500106.5
2T43.7Very low46.2Very low125 Ų125148.6 Ų148.677%0.76784%0.841SS**  57125.59751.60000112.8
3L46.2Very low46.1Very low156 Ų156151.8 Ų151.882%0.81785%0.845SS**  cis-165.7142.61-101.3162.2000106.9
4N39.8Very low45.7Very low153 Ų153149.5 Ų149.582%0.81884%0.842SS**  trans-67.7146.9157-80.4-25.5000110.2
5T47.7Very low45.7Very low138 Ų138151.5 Ų151.585%0.84784%0.842SS**  trans172.3153.2149.336.40000109
6C45.1Very low45.5Very low115 Ų115150.3 Ų150.378%0.77784%0.84SS**  cis-175159.7-20-154.70000105.5
7N43.8Very low45.8Very low138 Ų138146.1 Ų146.174%0.73882%0.818SS**  trans-48.3148.3176.2-68.1-32.7000115.7
8E46.5Very low46.3Very low196 Ų196143.9 Ų143.992%0.91681%0.811SS**  trans-136.6104142.1-81.2-167158.700111
9S47.7Very low46.8Very low107 Ų107143.5 Ų143.575%0.74881%0.813SS**  trans-76120.8166.2-54.50000108.9S11S9-S11 PolarHBondContact O-N 3.12Å
10K47.3Very low47.5Very low214 Ų214139.2 Ų139.293%0.9379%0.787SS**  trans-71.694.7169.5-72.9179.9175.9179.30109.8
11S51.1Low48.2Very low110 Ų110137.7 Ų137.777%0.76978%0.776SS**  trans-70.5126.7162.949.60000109.7S9 E13S9-S11 PolarHBondContact O-N 3.12Å; S11-E13 PolarHBondContact O-N 2.95Å
12A47.7Very low49.2Very low101 Ų101130.7 Ų130.784%0.83575%0.747SS**  trans-58.9126.5175.300000111.3C14A12-C14 PolarHBondContact O-N 3.49Å; A12-C14 VanDerWaalsContact O-N 3.12Å
13E44.1Very low50.4Low190 Ų190128 Ų12889%0.88874%0.738SS**  trans-60.6108.8166.1-74.6178.3143.300108.9S11 E15S11-E13 PolarHBondContact O-N 2.95Å; E13-E15 PolarHBondContact O-N 3.29Å
14C41Very low51.6Low120 Ų120124.5 Ų124.581%0.81172%0.719SS**  trans-73.7106164.9-125.50000107.1A12 V16A12-C14 PolarHBondContact O-N 3.49Å; A12-C14 VanDerWaalsContact O-N 3.12Å; C14-V16 PolarHBondContact O-N 2.93Å
15E45.1Very low53.1Low179 Ų179117.2 Ų117.284%0.83668%0.68SS**  trans-55.9110.9170.9-72.9-171.615800110E13 V17E13-E15 PolarHBondContact O-N 3.29Å; E15-V17 PolarHBondContact O-N 2.84Å
16V42.3Very low54.6Low133 Ų133112.2 Ų112.281%0.80665%0.651SS**  trans-72.596.4175.2-179.30000108C14 P18C14-V16 PolarHBondContact O-N 2.93Å; V16-P18 VanDerWaalsContact O-CD 3.26Å; V16-P18 WeakPolarHBondContact O-CD 3.27Å
17V51.8Low56.2Low78 Ų78111.9 Ų111.947%0.47365%0.649SS.*  trans-61.9115.9172.3176.90000109.1E15 T19E15-V17 PolarHBondContact O-N 2.84Å; V17-T19 PolarHBondContact O-N 2.76Å; V17-T19 VanDerWaalsContact O-N 3.12Å
18P53.9Low58.6Low107 Ų107108.8 Ų108.870%0.69563%0.629SS**  trans-66.3117.5-178.623.1-29.6000110.1V16 L20V16-P18 VanDerWaalsContact O-CD 3.26Å; V16-P18 WeakPolarHBondContact O-CD 3.27Å; P18-L20 PolarHBondContact O-N 3.16Å
19T57.1Low60.9Low137 Ų13799.5 Ų99.584%0.8459%0.586SS**  trans-75.1104.5174.5-60.70000108.3V17V17-T19 PolarHBondContact O-N 2.76Å; V17-T19 VanDerWaalsContact O-N 3.12Å
20L59.8Low63.1Low56 Ų5696.6 Ų96.629%0.29357%0.568SS.*  trans-65.7134177.9-77162.8000111P18 I24 L56 Y58P18-L20 PolarHBondContact O-N 3.16Å; L20-I24 HydrophobicContact CD2-CG2 4.36Å; L20-L56 HydrophobicContact CD1-CD2 4Å; L20-Y58 HydrophobicContact CD1-CE1 3.83Å; L20-Y58 WeakPolarHBondContact CD1-OH 3.44Å
21I63.1Low65.5Low109 Ų10987.3 Ų87.356%0.55953%0.529SS*.  trans-59.8131.1173-59.1170.4000108.7A23 I24 A25I21-A23 HydrophobicContact CG2-CB 4.31Å; I21-A23 PolarHBondContact O-N 3.33Å; I21-I24 HydrophobicContact CB-CD1 4.25Å; I21-I24 HydrophobicContact CB-CG1 4.42Å; I21-I24 HydrophobicContact CD1-CD1 4.41Å; I21-I24 PolarHBondContact O-N 2.77Å; I21-A25 PolarHBondContact O-N 2.81Å
22P68.4Low67.5Low82 Ų8283.5 Ų83.553%0.53251%0.507SS..Hα-helixtrans-51.8-32.1-175.6-30.535.1000115.1A25 S26P22-A25 PolarHBondContact O-N 3.18Å; P22-S26 PolarHBondContact O-N 2.88Å
23A69.3Low69.9Low69 Ų6981.8 Ų81.857%0.5749%0.487SS*.Hα-helixtrans-62.5-43.7176.900000112.6I21 S26 C27I21-A23 HydrophobicContact CG2-CB 4.31Å; I21-A23 PolarHBondContact O-N 3.33Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 2.65Å; A23-C27 PolarHBondContact O-N 3.39Å
24I71.5Confident72.3Confident82 Ų8276.9 Ų76.942%0.42148%0.475SS..Hα-helixtrans-69-43.3179.6-59174.4000109.9L20 I21 S26 C27 K28L20-I24 HydrophobicContact CD2-CG2 4.36Å; I21-I24 HydrophobicContact CB-CD1 4.25Å; I21-I24 HydrophobicContact CB-CG1 4.42Å; I21-I24 HydrophobicContact CD1-CD1 4.41Å; I21-I24 PolarHBondContact O-N 2.77Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 3.45Å; I24-C27 PolarHBondContact O-N 3.14Å; I24-C27 VanDerWaalsContact O-N 3.14Å; I24-K28 PolarHBondContact O-N 3.3Å
25A71.9Confident75Confident0 Ų076.8 Ų76.80%046%0.46CS..Hα-helixtrans-60.9-36.6176.700000112I21 P22 C27 K28 V29 L133I21-A25 PolarHBondContact O-N 2.81Å; P22-A25 PolarHBondContact O-N 3.18Å; A25-C27 VanDerWaalsContact C-N 3.33Å; A25-C27 PolarHBondContact O-N 3.12Å; A25-K28 PolarHBondContact O-N 2.75Å; A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.08Å; A25-L133 HydrophobicContact CB-CD1 3.76Å; A25-L133 HydrophobicContact CB-CD2 4.03Å; A25-L133 HydrophobicContact CB-CG 3.69Å
26S78.5Confident77.4Confident34 Ų3468.6 Ų68.624%0.23842%0.423CS..Hα-helixtrans-61.1-38.2175.1-171.30000112.5P22 A23 I24 K28 V29 K136P22-S26 PolarHBondContact O-N 2.88Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 2.65Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact O-N 3.16Å; S26-V29 PolarHBondContact O-N 2.89Å; S26-K136 VanDerWaalsContact O-CE 3.23Å; S26-K136 WeakPolarHBondContact O-CE 3.39Å; S26-K136 PolarHBondContact O-NZ 2.97Å; S26-K136 PolarHBondContact OG-NZ 3.05Å; S26-K136 VanDerWaalsContact OG-NZ 3.08Å
27C79.4Confident80Confident107 Ų10766.7 Ų66.772%0.72341%0.407SS*.Hα-helixtrans-69.4-31.4-178.3-66.30000113.4A23 I24 A25A23-C27 PolarHBondContact O-N 3.39Å; I24-C27 PolarHBondContact O-N 3.14Å; I24-C27 VanDerWaalsContact O-N 3.14Å; A25-C27 VanDerWaalsContact C-N 3.33Å; A25-C27 PolarHBondContact O-N 3.12Å
28K92.9Very high82.1Confident73 Ų7363 Ų6332%0.31739%0.385SS..Hα-helixtrans-84.2-7.9-179-68.3-174.2170.3-1660114.2I24 A25 S26 Q55 L56I24-K28 PolarHBondContact O-N 3.3Å; A25-K28 PolarHBondContact O-N 2.75Å; S26-K28 PolarHBondContact O-N 3.16Å; K28-Q55 HydrophobicContact CB-CB 4.18Å; K28-Q55 VanDerWaalsContact O-CB 3.26Å; K28-Q55 WeakPolarHBondContact O-CB 3.49Å; K28-Q55 PolarHBondContact O-N 2.92Å; K28-L56 HydrophobicContact CB-CD2 3.89Å; K28-L56 HydrophobicContact CB-CG 3.88Å; K28-L56 HydrophobicContact CD-CD2 3.44Å; K28-L56 VanDerWaalsContact CD-CD2 3.44Å; K28-L56 HydrophobicContact CD-CG 4.2Å; K28-L56 HydrophobicContact CG-CD2 4.28Å
29V94.5Very high84.1Confident2 Ų261 Ų611%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-109.2127.7175.3-176.90000108.7A25 S26 T53 L56 L60 F112 K136A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.08Å; S26-V29 PolarHBondContact O-N 2.89Å; V29-T53 WeakPolarHBondContact CA-O 3.48Å; V29-L56 HydrophobicContact CG2-CD1 3.94Å; V29-L60 HydrophobicContact CG1-CD1 4.44Å; V29-L60 HydrophobicContact CG2-CD1 3.32Å; V29-F112 HydrophobicContact CG1-CD1 4.13Å; V29-F112 HydrophobicContact CG1-CD2 4.07Å; V29-F112 HydrophobicContact CG1-CE1 3.87Å; V29-F112 HydrophobicContact CG1-CE2 3.8Å; V29-F112 HydrophobicContact CG1-CG 4.23Å; V29-F112 HydrophobicContact CG1-CZ 3.7Å; V29-K136 WeakPolarHBondContact O-CE 3.47Å; V29-K136 PolarHBondContact O-NZ 3Å
30A95.3Very high85.9Confident45 Ų4554.4 Ų54.437%0.37233%0.328SS..EExtended strand (participates in β ladder)trans-121.7142.5176.800000110.9I52 T53A30-I52 CarbonylContact O-C 3.58Å; A30-I52 WeakPolarHBondContact O-CA 3.36Å; A30-T53 PolarHBondContact N-O 2.92Å; A30-T53 PolarHBondContact O-N 3.44Å
31V96.7Very high87.5Confident19 Ų1951.9 Ų51.912%0.11532%0.315CS..EExtended strand (participates in β ladder)trans-131117.1169.7-169.20000107.8I50 V51 I52 F110 F112 K136 I138V31-I50 HydrophobicContact CG1-CD1 4.25Å; V31-V51 WeakPolarHBondContact CA-O 3.39Å; V31-I52 HydrophobicContact CG1-CG1 3.95Å; V31-I52 HydrophobicContact CG2-CG1 4.11Å; V31-I52 HydrophobicContact CG2-CG2 4.39Å; V31-F110 HydrophobicContact CG1-CD2 4.25Å; V31-F110 HydrophobicContact CG1-CE2 4.16Å; V31-F110 HydrophobicContact CG1-CZ 4.39Å; V31-F110 HydrophobicContact CG2-CG 4.45Å; V31-F112 HydrophobicContact CG2-CE2 3.93Å; V31-F112 HydrophobicContact CG2-CZ 3.68Å; V31-K136 HydrophobicContact CB-CB 4.25Å; V31-K136 HydrophobicContact CG2-CB 3.77Å; V31-K136 HydrophobicContact CG2-CG 3.97Å; V31-I138 HydrophobicContact CG1-CD1 3.69Å; V31-I138 HydrophobicContact CG1-CG1 4.27Å
32G94Very high88.9Confident31 Ų3149.7 Ų49.732%0.3230%0.3SS..EExtended strand (participates in β ladder)trans-127145.5-174.600000112.5I50 V51G32-I50 CarbonylContact O-C 3.59Å; G32-I50 WeakPolarHBondContact O-CA 3.42Å; G32-I50 WeakPolarHBondContact O-CB 3.38Å; G32-V51 PolarHBondContact N-O 3.49Å; G32-V51 PolarHBondContact O-N 3.4Å
33P96.8Very high89.9Confident64 Ų6451.9 Ų51.942%0.41630%0.303SS..  cis-73.4153.8-6.431.4-38.5000113.3K35 V36 I138P33-K35 PolarHBondContact O-N 2.94Å; P33-V36 HydrophobicContact CG-CG1 3.7Å; P33-I138 WeakPolarHBondContact O-CD1 3.41Å
34S95.5Very high91.1Very high88 Ų8851.1 Ų51.162%0.61529%0.294SS*.SBendtrans-71.4-16.9176.660.30000113.8I138 R139S34-I138 WeakPolarHBondContact O-CA 3.11Å; S34-R139 PolarHBondContact O-N 2.89Å
35K96.8Very high92.2Very high118 Ų11851 Ų5151%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-136.6133.8177.8-177.9-177.2173.1-174.30109.9P33 R139 K141P33-K35 PolarHBondContact O-N 2.94Å; K35-R139 CarbonylContact C-O 3.43Å; K35-R139 VanDerWaalsContact CA-O 3.28Å; K35-R139 WeakPolarHBondContact CA-O 3.26Å; K35-R139 HydrophobicContact CG-CB 4.5Å; K35-K141 VanDerWaalsContact CE-CD 3.47Å; K35-K141 VanDerWaalsContact CE-CE 3.47Å
36V96.5Very high93.3Very high7 Ų752.2 Ų52.24%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-124.9145.3174.7-64.20000110.8P33 K48 I91 I138 R139 V140 K141P33-V36 HydrophobicContact CG-CG1 3.7Å; V36-K48 HydrophobicContact CG1-CB 4.3Å; V36-I91 HydrophobicContact CG1-CD1 4.11Å; V36-I91 HydrophobicContact CG2-CD1 4.01Å; V36-I138 HydrophobicContact CG1-CG2 4.12Å; V36-I138 HydrophobicContact CG2-CG2 3.93Å; V36-R139 PolarHBondContact N-O 3.37Å; V36-V140 HydrophobicContact CG2-CB 4.15Å; V36-V140 HydrophobicContact CG2-CG1 4.15Å; V36-V140 HydrophobicContact CG2-CG2 3.68Å; V36-K141 PolarHBondContact O-N 2.96Å
37L95.9Very high94.2Very high93 Ų9353 Ų5349%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-109.8122.3170.6-178.267.5000108.4K141L37-K141 WeakPolarHBondContact CA-O 3.33Å; L37-K141 HydrophobicContact CD1-CB 4Å
38L96.3Very high95Very high0 Ų053 Ų530%030%0.3CS..EExtended strand (participates in β ladder)trans-116.2139.3178-62.3175000110.3P40 K48 L72 I91 L93 V140 K141 Y142 S143L38-P40 WeakPolarHBondContact O-CD 3.41Å; L38-K48 HydrophobicContact CD2-CB 4.16Å; L38-K48 HydrophobicContact CD2-CG 3.61Å; L38-L72 HydrophobicContact CD1-CD1 3.72Å; L38-I91 HydrophobicContact CD1-CG2 3.84Å; L38-L93 HydrophobicContact CB-CB 4.47Å; L38-L93 HydrophobicContact CB-CD2 4.19Å; L38-L93 HydrophobicContact CD1-CB 3.92Å; L38-V140 HydrophobicContact CD1-CG1 3.67Å; L38-V140 HydrophobicContact CG-CG1 4.21Å; L38-K141 PolarHBondContact N-O 3.35Å; L38-Y142 HydrophobicContact CB-CD1 4.22Å; L38-Y142 HydrophobicContact CB-CE1 4.36Å; L38-Y142 VanDerWaalsContact O-CA 3.32Å; L38-Y142 WeakPolarHBondContact O-CA 3.31Å; L38-S143 PolarHBondContact O-N 3.49Å; L38-S143 VanDerWaalsContact O-N 3.14Å
39N94.9Very high95.2Very high64 Ų6453.4 Ų53.434%0.34232%0.317SS..  trans-89.5109.3173.6-63.8-12.1000110.2S46 S143 E147N39-S46 PolarHBondContact N-OG 3.02Å; N39-S46 WeakPolarHBondContact O-CB 3.41Å; N39-S143 WeakPolarHBondContact OD1-CB 3.31Å; N39-S143 PolarHBondContact OD1-OG 2.85Å; N39-E147 PolarHBondContact ND2-OE1 2.77Å
40P95.2Very high95.4Very high0 Ų053.4 Ų53.40%032%0.317CS..  trans-65.3138.2171.126-32.3000110.7L38 L93 I96 F101 S143 I146 E147L38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-L93 HydrophobicContact CB-CD2 4.07Å; P40-I96 HydrophobicContact CB-CD1 3.5Å; P40-F101 HydrophobicContact CB-CE1 3.94Å; P40-F101 HydrophobicContact CB-CZ 3.87Å; P40-F101 HydrophobicContact CG-CE1 4.42Å; P40-F101 HydrophobicContact CG-CZ 4.46Å; P40-S143 WeakPolarHBondContact CD-OG 3.39Å; P40-I146 HydrophobicContact CB-CG1 4.09Å; P40-I146 HydrophobicContact CB-CG2 4.26Å; P40-I146 HydrophobicContact CG-CG1 3.98Å; P40-I146 CarbonylContact O-C 3.57Å; P40-I146 WeakPolarHBondContact O-CA 3.39Å; P40-E147 PolarHBondContact O-N 2.8Å
41S94.2Very high95.5Very high3 Ų353.9 Ų53.92%0.02132%0.315CS..BIsolated β-bridgetrans-145.3143-180171.70000110.9Q43 S44 R95 I96 E147S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact OG-N 3.32Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; S41-S44 WeakPolarHBondContact CB-O 3.41Å; S41-S44 WeakPolarHBondContact CB-OG 3.37Å; S41-S44 PolarHBondContact OG-N 3.4Å; S41-S44 PolarHBondContact OG-OG 3.36Å; S41-R95 CarbonylContact O-C 3.59Å; S41-R95 WeakPolarHBondContact O-CA 3.46Å; S41-I96 PolarHBondContact O-N 3.47Å; S41-E147 CarbonylContact C-O 3.51Å; S41-E147 WeakPolarHBondContact CA-O 3.46Å
42Y92.9Very high95.5Very high62 Ų6253 Ų5324%0.24331%0.31CS..SBendtrans-76.9-17171.7-65.3-72.5000112.6I96 I146 E147 G148 M150Y42-I96 WeakPolarHBondContact CA-O 3.28Å; Y42-I96 HydrophobicContact CD1-CB 3.92Å; Y42-I96 HydrophobicContact CD1-CG2 3.91Å; Y42-I96 WeakPolarHBondContact CD1-O 3.44Å; Y42-I96 HydrophobicContact CE1-CB 4.11Å; Y42-I96 HydrophobicContact CE1-CG2 3.65Å; Y42-I146 HydrophobicContact CD2-CB 4.45Å; Y42-I146 HydrophobicContact CD2-CG2 3.52Å; Y42-I146 HydrophobicContact CE1-CG2 4.31Å; Y42-I146 HydrophobicContact CE2-CB 3.84Å; Y42-I146 HydrophobicContact CE2-CG2 3.28Å; Y42-I146 HydrophobicContact CG-CG2 4.16Å; Y42-E147 PolarHBondContact N-O 2.96Å; Y42-G148 WeakPolarHBondContact CD2-O 3.48Å; Y42-M150 HydrophobicContact CD1-CB 3.88Å; Y42-M150 HydrophobicContact CD1-CG 4.07Å; Y42-M150 HydrophobicContact CD2-CB 4.45Å; Y42-M150 HydrophobicContact CE1-CB 3.8Å; Y42-M150 HydrophobicContact CE1-CG 4Å; Y42-M150 HydrophobicContact CE1-SD 4.31Å; Y42-M150 HydrophobicContact CE2-CB 4.36Å; Y42-M150 HydrophobicContact CG-CB 4.22Å
43Q89.9Confident95.7Very high129 Ų12953.6 Ų53.660%0.60331%0.307SS*.SBendtrans-109.7-42.4-168.2-61.5-177.31.200112.4S41S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact OG-N 3.32Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å
44S92.9Very high95.6Very high52 Ų5250.6 Ų50.636%0.36429%0.287SS..SBendtrans-119.3146.8-173.347.90000111.6S41S41-S44 WeakPolarHBondContact CB-O 3.41Å; S41-S44 WeakPolarHBondContact CB-OG 3.37Å; S41-S44 PolarHBondContact OG-N 3.4Å; S41-S44 PolarHBondContact OG-OG 3.36Å
45P95Very high95.6Very high81 Ų8151.6 Ų51.653%0.52628%0.282SS..  trans-72.1158.1161.433.1-33.3000110.1L93P45-L93 CarbonylContact C-O 3.55Å; P45-L93 VanDerWaalsContact CA-O 3.24Å; P45-L93 WeakPolarHBondContact CA-O 3.33Å; P45-L93 WeakPolarHBondContact CB-O 3.48Å
46S95.6Very high95.4Very high24 Ų2446 Ų4617%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-124.6145175.1173.50000109.4N39 R92 L93N39-S46 PolarHBondContact N-OG 3.02Å; N39-S46 WeakPolarHBondContact O-CB 3.41Å; S46-R92 CarbonylContact O-C 3.58Å; S46-R92 WeakPolarHBondContact O-CA 3.44Å; S46-L93 PolarHBondContact N-O 2.95Å; S46-L93 PolarHBondContact O-N 2.98Å
47S96.7Very high95.2Very high52 Ų5251.6 Ų51.636%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-149.7157.7-178.465.20000114.4E90 I91S47-E90 WeakPolarHBondContact CB-OE1 3.43Å; S47-E90 PolarHBondContact OG-OE1 3.07Å; S47-I91 CarbonylContact C-O 3.56Å; S47-I91 WeakPolarHBondContact CA-O 3.48Å; S47-I91 WeakPolarHBondContact CB-O 3.3Å
48K97.6Very high94.8Very high107 Ų10749.4 Ų49.447%0.46527%0.273SS..EExtended strand (participates in β ladder)trans-140.2132.1176.8-73.5-67.7-180179.60110.1V36 L38 E90 I91V36-K48 HydrophobicContact CG1-CB 4.3Å; L38-K48 HydrophobicContact CD2-CB 4.16Å; L38-K48 HydrophobicContact CD2-CG 3.61Å; K48-E90 WeakPolarHBondContact O-CA 3.45Å; K48-I91 PolarHBondContact N-O 3.03Å; K48-I91 PolarHBondContact O-N 3.33Å
49A97.1Very high94.5Very high80 Ų8051.8 Ų51.866%0.66129%0.289SS*.EExtended strand (participates in β ladder)trans-69.4145172.100000110.6A89A49-A89 WeakPolarHBondContact CA-O 3.21Å
50I97.4Very high94.4Very high2 Ų248.8 Ų48.81%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-132.5157.9172.365.8169.8000109V31 G32 A89 I91 F110 I138V31-I50 HydrophobicContact CG1-CD1 4.25Å; G32-I50 CarbonylContact O-C 3.59Å; G32-I50 WeakPolarHBondContact O-CA 3.42Å; G32-I50 WeakPolarHBondContact O-CB 3.38Å; I50-A89 HydrophobicContact CD1-CB 3.97Å; I50-A89 HydrophobicContact CG1-CB 3.7Å; I50-A89 WeakPolarHBondContact CG1-O 3.48Å; I50-A89 PolarHBondContact N-O 3Å; I50-A89 PolarHBondContact O-N 2.84Å; I50-A89 VanDerWaalsContact O-O 3.12Å; I50-I91 HydrophobicContact CD1-CD1 4.47Å; I50-I91 HydrophobicContact CD1-CG1 4.2Å; I50-I91 HydrophobicContact CG2-CD1 3.57Å; I50-I91 HydrophobicContact CG2-CG1 3.89Å; I50-F110 HydrophobicContact CD1-CE1 3.86Å; I50-F110 HydrophobicContact CD1-CE2 4.14Å; I50-F110 HydrophobicContact CD1-CZ 3.28Å; I50-I138 HydrophobicContact CB-CD1 4.46Å; I50-I138 HydrophobicContact CD1-CD1 4.1Å; I50-I138 HydrophobicContact CG2-CD1 3.95Å
51V97.6Very high94.2Very high56 Ų5648.9 Ų48.934%0.33927%0.274SS..EExtended strand (participates in β ladder)trans-121.3128.6175.5-1780000108.3V31 G32 H86V31-V51 WeakPolarHBondContact CA-O 3.39Å; G32-V51 PolarHBondContact N-O 3.49Å; G32-V51 PolarHBondContact O-N 3.4Å; V51-H86 HydrophobicContact CG1-CB 4.13Å
52I97.5Very high94.2Very high1 Ų149 Ų491%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-103.9125.9169.9-62.4158.9000106.8A30 V31 F62 V81 H86 M87 A89 F110 F112A30-I52 CarbonylContact O-C 3.58Å; A30-I52 WeakPolarHBondContact O-CA 3.36Å; V31-I52 HydrophobicContact CG1-CG1 3.95Å; V31-I52 HydrophobicContact CG2-CG1 4.11Å; V31-I52 HydrophobicContact CG2-CG2 4.39Å; I52-F62 HydrophobicContact CD1-CE1 4.45Å; I52-F62 HydrophobicContact CD1-CE2 4.4Å; I52-F62 HydrophobicContact CD1-CZ 4.38Å; I52-V81 HydrophobicContact CB-CG2 4.39Å; I52-V81 HydrophobicContact CG2-CG2 3.82Å; I52-H86 CarbonylContact O-C 3.56Å; I52-H86 WeakPolarHBondContact O-CA 3.44Å; I52-M87 HydrophobicContact CB-CE 4.48Å; I52-M87 HydrophobicContact CD1-CE 3.34Å; I52-M87 HydrophobicContact CG1-CE 4.41Å; I52-M87 PolarHBondContact N-O 3.23Å; I52-M87 PolarHBondContact O-N 2.85Å; I52-A89 HydrophobicContact CD1-CB 4.33Å; I52-F110 HydrophobicContact CD1-CD1 4.04Å; I52-F110 HydrophobicContact CD1-CE1 3.85Å; I52-F110 HydrophobicContact CG1-CE1 4.5Å; I52-F112 HydrophobicContact CG2-CE1 3.72Å; I52-F112 HydrophobicContact CG2-CZ 3.81Å
53T97.1Very high94.2Very high42 Ų4248.8 Ų48.826%0.25828%0.277SS..EExtended strand (participates in β ladder)trans-117.6130.4179.6-52.80000109.3V29 A30 Q55V29-T53 WeakPolarHBondContact CA-O 3.48Å; A30-T53 PolarHBondContact N-O 2.92Å; A30-T53 PolarHBondContact O-N 3.44Å; T53-Q55 HydrophobicContact CG2-CG 4.12Å
54N96.1Very high94.5Very high1 Ų143.5 Ų43.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-112.6109.8175179.920.9000109.5L56 Y58 V81 N82 N84 D85N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 VanDerWaalsContact OD1-CB 3.26Å; N54-L56 WeakPolarHBondContact OD1-CB 3.33Å; N54-L56 PolarHBondContact OD1-N 2.94Å; N54-L56 VanDerWaalsContact OD1-N 3.07Å; N54-Y58 PolarHBondContact ND2-O 2.97Å; N54-V81 HydrophobicContact CB-CB 4.24Å; N54-V81 HydrophobicContact CB-CG1 3.66Å; N54-V81 PolarHBondContact ND2-O 3.07Å; N54-N82 WeakPolarHBondContact CB-O 3.17Å; N54-N82 PolarHBondContact ND2-O 3.3Å; N54-N84 CarbonylContact O-C 3.45Å; N54-N84 WeakPolarHBondContact O-CA 3.31Å; N54-N84 PolarHBondContact O-N 3Å; N54-N84 VanDerWaalsContact O-N 3.11Å; N54-D85 PolarHBondContact N-O 3.39Å; N54-D85 PolarHBondContact O-N 3.37Å
55Q95.4Very high94.5Very high109 Ų10946.7 Ų46.751%0.50926%0.257SS..  trans-99.519.2176-54.4175.7-18.400112.1K28 T53K28-Q55 HydrophobicContact CB-CB 4.18Å; K28-Q55 VanDerWaalsContact O-CB 3.26Å; K28-Q55 WeakPolarHBondContact O-CB 3.49Å; K28-Q55 PolarHBondContact O-N 2.92Å; T53-Q55 HydrophobicContact CG2-CG 4.12Å
56L92.2Very high94.5Very high2 Ų243.6 Ų43.61%0.0124%0.237CC..SBendtrans-92.3154.6172.2-62.3156.3000109.2L20 K28 V29 N54 Y58 L60 A83 N84 L133L20-L56 HydrophobicContact CD1-CD2 4Å; K28-L56 HydrophobicContact CB-CD2 3.89Å; K28-L56 HydrophobicContact CB-CG 3.88Å; K28-L56 HydrophobicContact CD-CD2 3.44Å; K28-L56 VanDerWaalsContact CD-CD2 3.44Å; K28-L56 HydrophobicContact CD-CG 4.2Å; K28-L56 HydrophobicContact CG-CD2 4.28Å; V29-L56 HydrophobicContact CG2-CD1 3.94Å; N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 VanDerWaalsContact OD1-CB 3.26Å; N54-L56 WeakPolarHBondContact OD1-CB 3.33Å; N54-L56 PolarHBondContact OD1-N 2.94Å; N54-L56 VanDerWaalsContact OD1-N 3.07Å; L56-Y58 HydrophobicContact CB-CD1 4.17Å; L56-Y58 HydrophobicContact CB-CE1 3.97Å; L56-Y58 HydrophobicContact CB-CE2 4.49Å; L56-Y58 HydrophobicContact CD1-CE1 4.42Å; L56-Y58 HydrophobicContact CD1-CE2 4.08Å; L56-Y58 HydrophobicContact CD2-CE1 4.01Å; L56-Y58 HydrophobicContact CG-CE1 4.37Å; L56-Y58 PolarHBondContact O-N 3.3Å; L56-Y58 VanDerWaalsContact O-N 3.17Å; L56-L60 HydrophobicContact CD1-CD1 3.7Å; L56-L60 HydrophobicContact CD1-CD2 4.07Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-A83 VanDerWaalsContact O-CA 3.26Å; L56-A83 WeakPolarHBondContact O-CA 3.41Å; L56-A83 WeakPolarHBondContact O-CB 3.42Å; L56-N84 PolarHBondContact O-N 2.84Å; L56-L133 HydrophobicContact CD1-CD2 4.41Å
57D91.2Very high94.5Very high123 Ų12346 Ų4666%0.65825%0.251SS*.SBendtrans-80.811.7-179.9-51.8-51.3000113A83 N84D57-A83 VanDerWaalsContact C-CB 3.4Å; D57-N84 PolarHBondContact OD1-ND2 2.79Å
58Y88.7Confident94.3Very high47 Ų4744.1 Ų44.118%0.18424%0.237CC..SBendtrans-138.2153.1177.757.1-94000111.6L20 N54 L56 L60 K114 L133L20-Y58 HydrophobicContact CD1-CE1 3.83Å; L20-Y58 WeakPolarHBondContact CD1-OH 3.44Å; N54-Y58 PolarHBondContact ND2-O 2.97Å; L56-Y58 HydrophobicContact CB-CD1 4.17Å; L56-Y58 HydrophobicContact CB-CE1 3.97Å; L56-Y58 HydrophobicContact CB-CE2 4.49Å; L56-Y58 HydrophobicContact CD1-CE1 4.42Å; L56-Y58 HydrophobicContact CD1-CE2 4.08Å; L56-Y58 HydrophobicContact CD2-CE1 4.01Å; L56-Y58 HydrophobicContact CG-CE1 4.37Å; L56-Y58 PolarHBondContact O-N 3.3Å; L56-Y58 VanDerWaalsContact O-N 3.17Å; Y58-L60 HydrophobicContact CD2-CD2 4.06Å; Y58-L60 HydrophobicContact CE2-CD2 3.55Å; Y58-L60 HydrophobicContact CE2-CG 4.49Å; Y58-K114 HydrophobicContact CD2-CG 4Å; Y58-K114 HydrophobicContact CE2-CB 4.4Å; Y58-K114 HydrophobicContact CE2-CD 4.4Å; Y58-K114 HydrophobicContact CE2-CG 3.94Å; Y58-L133 HydrophobicContact CE2-CD2 4.28Å
59P90.3Very high93.9Very high51 Ų5147.4 Ų47.433%0.33125%0.251SS..  trans-67.1141.8178.526.7-34000111.8V80 V81 T115P59-V80 HydrophobicContact CB-CG1 4.06Å; P59-V81 WeakPolarHBondContact CA-O 3.42Å; P59-T115 WeakPolarHBondContact O-CB 3.47Å; P59-T115 PolarHBondContact O-N 3.26Å; P59-T115 PolarHBondContact O-OG1 3.12Å
60L91.3Very high93.6Very high1 Ų147.3 Ų47.31%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113139.2174.8-71.6-175.2000111V29 L56 Y58 V80 V81 F112 Y113 L133V29-L60 HydrophobicContact CG1-CD1 4.44Å; V29-L60 HydrophobicContact CG2-CD1 3.32Å; L56-L60 HydrophobicContact CD1-CD1 3.7Å; L56-L60 HydrophobicContact CD1-CD2 4.07Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; Y58-L60 HydrophobicContact CD2-CD2 4.06Å; Y58-L60 HydrophobicContact CE2-CD2 3.55Å; Y58-L60 HydrophobicContact CE2-CG 4.49Å; L60-V80 CarbonylContact O-C 3.49Å; L60-V80 VanDerWaalsContact O-CA 3.25Å; L60-V80 WeakPolarHBondContact O-CA 3.47Å; L60-V80 WeakPolarHBondContact O-CG1 3.32Å; L60-V81 PolarHBondContact N-O 2.76Å; L60-V81 PolarHBondContact O-N 3.03Å; L60-F112 HydrophobicContact CB-CD1 4.45Å; L60-F112 HydrophobicContact CD1-CD1 4.2Å; L60-Y113 WeakPolarHBondContact CD2-O 3.37Å; L60-L133 HydrophobicContact CD2-CD2 3.58Å
61S92.1Very high93.5Very high2 Ų247.3 Ų47.31%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-97.6151.4166.457.30000109.8G79 F112 Y113 T115 M127S61-G79 CarbonylContact C-O 3.5Å; S61-G79 VanDerWaalsContact CA-O 3.31Å; S61-G79 WeakPolarHBondContact CA-O 3.43Å; S61-F112 CarbonylContact O-C 3.55Å; S61-F112 WeakPolarHBondContact O-CA 3.46Å; S61-Y113 PolarHBondContact N-O 3.46Å; S61-Y113 PolarHBondContact O-N 3.5Å; S61-Y113 WeakPolarHBondContact OG-CB 3.47Å; S61-Y113 PolarHBondContact OG-O 3.5Å; S61-T115 PolarHBondContact N-OG1 3.22Å; S61-M127 WeakPolarHBondContact CB-SD 3.47Å; S61-M127 WeakPolarHBondContact OG-CE 3.48Å; S61-M127 PolarHBondContact OG-SD 3.28Å; S61-M127 VanDerWaalsContact OG-SD 3.37Å
62F93Very high93.4Very high6 Ų644.7 Ų44.73%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-135.6151.6176.468.8-87.3000111.6I52 V64 P76 C78 G79 V81 M87 F110 D111 F112I52-F62 HydrophobicContact CD1-CE1 4.45Å; I52-F62 HydrophobicContact CD1-CE2 4.4Å; I52-F62 HydrophobicContact CD1-CZ 4.38Å; F62-V64 HydrophobicContact CD2-CG2 3.65Å; F62-V64 HydrophobicContact CE2-CG2 3.83Å; F62-P76 HydrophobicContact CZ-CG 4.03Å; F62-C78 WeakPolarHBondContact O-CA 3.33Å; F62-C78 WeakPolarHBondContact O-CB 3.45Å; F62-G79 VanDerWaalsContact CD1-O 3.23Å; F62-G79 WeakPolarHBondContact CD1-O 3.24Å; F62-G79 WeakPolarHBondContact CE1-O 3.34Å; F62-G79 VanDerWaalsContact CZ-CA 3.5Å; F62-G79 VanDerWaalsContact CZ-N 3.28Å; F62-G79 PolarHBondContact N-O 2.96Å; F62-G79 PolarHBondContact O-N 3.16Å; F62-V81 HydrophobicContact CD1-CG2 3.99Å; F62-V81 HydrophobicContact CE1-CG2 4.03Å; F62-M87 HydrophobicContact CD1-CE 4.24Å; F62-M87 HydrophobicContact CE1-CE 3.19Å; F62-M87 HydrophobicContact CE1-SD 3.64Å; F62-M87 HydrophobicContact CE2-CE 4.14Å; F62-M87 HydrophobicContact CZ-CE 3.15Å; F62-M87 HydrophobicContact CZ-SD 3.82Å; F62-F110 HydrophobicContact CD2-CD1 4.31Å; F62-D111 CarbonylContact C-O 3.48Å; F62-D111 VanDerWaalsContact CA-O 3.26Å; F62-D111 WeakPolarHBondContact CA-O 3.49Å; F62-F112 HydrophobicContact CB-CD1 3.68Å; F62-F112 HydrophobicContact CB-CE1 3.67Å; F62-F112 HydrophobicContact CB-CG 4.4Å; F62-F112 HydrophobicContact CB-CZ 4.39Å; F62-F112 HydrophobicContact CG-CE1 4.37Å
63N93.9Very high93.4Very high57 Ų5746.4 Ų46.431%0.30524%0.237SC..EExtended strand (participates in β ladder)trans-129.3138.8169.4-170.14.6000109.2P77 D111 Y113N63-P77 PolarHBondContact OD1-O 3.33Å; N63-D111 PolarHBondContact N-O 3.37Å; N63-D111 PolarHBondContact O-N 3.21Å; N63-Y113 HydrophobicContact CB-CE2 4.15Å
64V95.1Very high93.3Very high17 Ų1744.9 Ų44.910%0.10323%0.228CC..EExtended strand (participates in β ladder)trans-113.2127.7-173.8-166.70000111.3F62 A74 P77 I108 I109 F110F62-V64 HydrophobicContact CD2-CG2 3.65Å; F62-V64 HydrophobicContact CE2-CG2 3.83Å; V64-A74 HydrophobicContact CB-CB 3.86Å; V64-A74 HydrophobicContact CG1-CB 3.46Å; V64-A74 VanDerWaalsContact CG1-CB 3.46Å; V64-A74 HydrophobicContact CG2-CB 4.02Å; V64-P77 WeakPolarHBondContact CB-O 3.4Å; V64-P77 WeakPolarHBondContact CG2-O 3.33Å; V64-P77 PolarHBondContact N-O 3.43Å; V64-I108 HydrophobicContact CG1-CG2 3.27Å; V64-I109 WeakPolarHBondContact CA-O 3.33Å; V64-F110 HydrophobicContact CB-CE1 4.36Å; V64-F110 HydrophobicContact CG1-CD1 4.34Å; V64-F110 HydrophobicContact CG1-CE1 4.01Å; V64-F110 HydrophobicContact CG1-CE2 4.27Å; V64-F110 HydrophobicContact CG1-CZ 3.94Å; V64-F110 HydrophobicContact CG2-CD1 3.52Å; V64-F110 HydrophobicContact CG2-CE1 3.38Å; V64-F110 HydrophobicContact CG2-CG 4.38Å; V64-F110 HydrophobicContact CG2-CZ 4.15Å
65R94.6Very high93.3Very high119 Ų11947.3 Ų47.345%0.44924%0.243SC..EExtended strand (participates in β ladder)trans-120.2151.3176.3-60-175.8-67.9159.21110.3I108 I109 D111R65-I108 WeakPolarHBondContact O-CA 3.37Å; R65-I109 PolarHBondContact N-O 2.92Å; R65-I109 PolarHBondContact O-N 3.25Å; R65-D111 IonicContact CZ-OD2 3.49Å; R65-D111 IonicContact NE-OD2 3.69Å; R65-D111 PolarHBondContact NE-OD2 3.3Å; R65-D111 IonicContact NH2-OD1 2.88Å; R65-D111 PolarHBondContact NH2-OD1 2.88Å; R65-D111 IonicContact NH2-OD2 3.18Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å
66S95.1Very high93.3Very high16 Ų1644.4 Ų44.411%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-129.5147.4176.6179.60000111.2Q68 K69 L72 H107S66-Q68 PolarHBondContact O-N 3.42Å; S66-Q68 PolarHBondContact OG-N 3.48Å; S66-Q68 VanDerWaalsContact OG-N 3.12Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-L72 VanDerWaalsContact CB-O 3.28Å; S66-L72 WeakPolarHBondContact CB-O 3.23Å; S66-L72 WeakPolarHBondContact OG-CB 3.44Å; S66-L72 VanDerWaalsContact OG-CD2 3.3Å; S66-L72 WeakPolarHBondContact OG-CD2 3.45Å; S66-L72 WeakPolarHBondContact OG-CG 3.4Å; S66-L72 PolarHBondContact OG-O 2.97Å; S66-H107 WeakPolarHBondContact CA-O 3.38Å
67T94.4Very high93.4Very high74 Ų7447.9 Ų47.945%0.45426%0.256SS..THydrogen-bonded Turntrans-62.7-28168.9500000112.1D106 H107T67-D106 WeakPolarHBondContact CB-OD1 3.36Å; T67-D106 WeakPolarHBondContact OG1-CB 3.2Å; T67-D106 VanDerWaalsContact OG1-CG 3.24Å; T67-D106 PolarHBondContact OG1-OD1 3.44Å; T67-H107 HydrophobicContact CG2-CB 3.93Å; T67-H107 PolarHBondContact N-O 3.45Å; T67-H107 VanDerWaalsContact N-O 3.13Å; T67-H107 PolarHBondContact OG1-N 3.5Å; T67-H107 PolarHBondContact OG1-O 2.99Å
68Q91.8Very high93.5Very high14 Ų1443.9 Ų43.97%0.06524%0.237CC..THydrogen-bonded Turntrans-118.862.5-177.5-161.5177.271.100112.4S66 V70 F71 L72 H102 Y142S66-Q68 PolarHBondContact O-N 3.42Å; S66-Q68 PolarHBondContact OG-N 3.48Å; S66-Q68 VanDerWaalsContact OG-N 3.12Å; Q68-V70 PolarHBondContact O-N 2.91Å; Q68-F71 HydrophobicContact CG-CB 4.28Å; Q68-F71 HydrophobicContact CG-CD2 3.95Å; Q68-F71 PolarHBondContact O-N 2.92Å; Q68-L72 HydrophobicContact CB-CB 4.13Å; Q68-L72 PolarHBondContact O-N 3.46Å; Q68-H102 PolarHBondContact NE2-O 3.25Å; Q68-Y142 PolarHBondContact OE1-OH 3.45Å
69K90.3Very high93.7Very high175 Ų17542.9 Ų42.976%0.76124%0.241SC*.THydrogen-bonded Turntrans-47.2-30.2-172-59.9-178.3-178.4178.70116.4S66S66-K69 WeakPolarHBondContact O-CG 3.46Å
70V91.2Very high93.8Very high78 Ų7843.3 Ų43.347%0.47324%0.242SC..THydrogen-bonded Turntrans-77.1-33.8-176.7179.40000112.1Q68 W97Q68-V70 PolarHBondContact O-N 2.91Å; V70-W97 HydrophobicContact CG1-CZ2 4.46Å
71F94.5Very high93.9Very high2 Ų243.4 Ų43.41%0.00924%0.243CC..THydrogen-bonded Turntrans-112.9-40.2-170.9-62.6-74.2000112.3Q68 L93 H94 W97 N98 K100 F101Q68-F71 HydrophobicContact CG-CB 4.28Å; Q68-F71 HydrophobicContact CG-CD2 3.95Å; Q68-F71 PolarHBondContact O-N 2.92Å; F71-L93 HydrophobicContact CB-CD1 3.79Å; F71-L93 CarbonylContact O-C 3.55Å; F71-L93 WeakPolarHBondContact O-CA 3.4Å; F71-H94 PolarHBondContact O-CD2 2.99Å; F71-H94 PolarHBondContact O-N 3.35Å; F71-W97 AromaticContact CE1-NE1 3.96Å; F71-N98 VanDerWaalsContact CZ-OD1 3.31Å; F71-N98 WeakPolarHBondContact CZ-OD1 3.19Å; F71-K100 HydrophobicContact CE2-CB 4.36Å; F71-F101 HydrophobicContact CB-CD2 4.3Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 AromaticContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CE2-CB 3.86Å; F71-F101 HydrophobicContact CE2-CD2 4.47Å; F71-F101 HydrophobicContact CG-CD2 4.04Å; F71-F101 HydrophobicContact CZ-CB 4.04Å
72L96.3Very high93.9Very high1 Ų147.7 Ų47.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-103.2117-171.5-175.663.2000109.7L38 S66 Q68 I91 D106 I108 V140L38-L72 HydrophobicContact CD1-CD1 3.72Å; S66-L72 VanDerWaalsContact CB-O 3.28Å; S66-L72 WeakPolarHBondContact CB-O 3.23Å; S66-L72 WeakPolarHBondContact OG-CB 3.44Å; S66-L72 VanDerWaalsContact OG-CD2 3.3Å; S66-L72 WeakPolarHBondContact OG-CD2 3.45Å; S66-L72 WeakPolarHBondContact OG-CG 3.4Å; S66-L72 PolarHBondContact OG-O 2.97Å; Q68-L72 HydrophobicContact CB-CB 4.13Å; Q68-L72 PolarHBondContact O-N 3.46Å; L72-I91 HydrophobicContact CD1-CG2 3.69Å; L72-D106 HydrophobicContact CD2-CB 3.91Å; L72-I108 HydrophobicContact CD1-CD1 3.89Å; L72-I108 HydrophobicContact CD2-CD1 4.07Å; L72-I108 HydrophobicContact CD2-CG1 3.83Å; L72-I108 HydrophobicContact CG-CD1 3.8Å; L72-I108 HydrophobicContact CG-CG1 4.02Å; L72-V140 HydrophobicContact CD1-CG1 4.25Å; L72-V140 HydrophobicContact CD1-CG2 4.47Å; L72-V140 HydrophobicContact CD2-CB 4.09Å; L72-V140 HydrophobicContact CD2-CG1 4.1Å; L72-V140 HydrophobicContact CD2-CG2 3.84Å
73V96.1Very high93.9Very high38 Ų3849.1 Ų49.123%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-136154.5-177.1-600000110.9R92V73-R92 HydrophobicContact CG2-CB 4.08Å; V73-R92 PolarHBondContact N-O 2.9Å; V73-R92 PolarHBondContact O-N 3.19Å
74A96.2Very high94Very high9 Ų951.5 Ų51.57%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-102.5147.8166.800000110.6V64 P76 E90V64-A74 HydrophobicContact CB-CB 3.86Å; V64-A74 HydrophobicContact CG1-CB 3.46Å; V64-A74 VanDerWaalsContact CG1-CB 3.46Å; V64-A74 HydrophobicContact CG2-CB 4.02Å; A74-P76 CarbonylContact O-C 3.55Å; A74-E90 CarbonylContact C-O 3.59Å; A74-E90 WeakPolarHBondContact CA-O 2.88Å
75V96.1Very high94Very high52 Ų5253.5 Ų53.532%0.31530%0.302SS..EExtended strand (participates in β ladder)trans-127.6115.5178.5-175.20000108.4A89 E90V75-A89 CarbonylContact O-C 3.58Å; V75-A89 WeakPolarHBondContact O-CA 3.46Å; V75-A89 WeakPolarHBondContact O-CB 3.19Å; V75-E90 HydrophobicContact CB-CB 4.43Å; V75-E90 PolarHBondContact N-O 3.39Å; V75-E90 PolarHBondContact O-N 3.42Å
76P95.4Very high94.1Very high49 Ų4953.2 Ų53.232%0.31831%0.305SS..SBendcis-71.8156.3-6.435.6-38.2000111.8F62 A74 C78F62-P76 HydrophobicContact CZ-CG 4.03Å; A74-P76 CarbonylContact O-C 3.55Å; P76-C78 VanDerWaalsContact C-N 3.26Å; P76-C78 VanDerWaalsContact CB-O 3.31Å; P76-C78 WeakPolarHBondContact CB-O 3.31Å; P76-C78 PolarHBondContact O-N 3.32Å
77P94Very high94.1Very high75 Ų7554.2 Ų54.249%0.48731%0.309SS..SBendtrans-75.3-18.1177.531.1-35.9000112.9N63 V64N63-P77 PolarHBondContact OD1-O 3.33Å; V64-P77 WeakPolarHBondContact CB-O 3.4Å; V64-P77 WeakPolarHBondContact CG2-O 3.33Å; V64-P77 PolarHBondContact N-O 3.43Å
78C93.1Very high94.2Very high39 Ų3960.6 Ų60.626%0.26432%0.324SS..EExtended strand (participates in β ladder)trans-149.7159.9174.754.90000109.1F62 P76F62-C78 WeakPolarHBondContact O-CA 3.33Å; F62-C78 WeakPolarHBondContact O-CB 3.45Å; P76-C78 VanDerWaalsContact C-N 3.26Å; P76-C78 VanDerWaalsContact CB-O 3.31Å; P76-C78 WeakPolarHBondContact CB-O 3.31Å; P76-C78 PolarHBondContact O-N 3.32Å
79G92.6Very high94.4Very high25 Ų2560.3 Ų60.326%0.25832%0.324SS..EExtended strand (participates in β ladder)trans175.8-172.7177.700000112S61 F62S61-G79 CarbonylContact C-O 3.5Å; S61-G79 VanDerWaalsContact CA-O 3.31Å; S61-G79 WeakPolarHBondContact CA-O 3.43Å; F62-G79 VanDerWaalsContact CD1-O 3.23Å; F62-G79 WeakPolarHBondContact CD1-O 3.24Å; F62-G79 WeakPolarHBondContact CE1-O 3.34Å; F62-G79 VanDerWaalsContact CZ-CA 3.5Å; F62-G79 VanDerWaalsContact CZ-N 3.28Å; F62-G79 PolarHBondContact N-O 2.96Å; F62-G79 PolarHBondContact O-N 3.16Å
80V91.9Very high94.8Very high60 Ų6055.2 Ų55.236%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-125137.5177.6-179.40000108.4P59 L60P59-V80 HydrophobicContact CB-CG1 4.06Å; L60-V80 CarbonylContact O-C 3.49Å; L60-V80 VanDerWaalsContact O-CA 3.25Å; L60-V80 WeakPolarHBondContact O-CA 3.47Å; L60-V80 WeakPolarHBondContact O-CG1 3.32Å
81V93.5Very high95Very high3 Ų351.5 Ų51.52%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-113.3122.2172.3-171.80000107.1I52 N54 P59 L60 F62 M87I52-V81 HydrophobicContact CB-CG2 4.39Å; I52-V81 HydrophobicContact CG2-CG2 3.82Å; N54-V81 HydrophobicContact CB-CB 4.24Å; N54-V81 HydrophobicContact CB-CG1 3.66Å; N54-V81 PolarHBondContact ND2-O 3.07Å; P59-V81 WeakPolarHBondContact CA-O 3.42Å; L60-V81 PolarHBondContact N-O 2.76Å; L60-V81 PolarHBondContact O-N 3.03Å; F62-V81 HydrophobicContact CD1-CG2 3.99Å; F62-V81 HydrophobicContact CE1-CG2 4.03Å; V81-M87 HydrophobicContact CG1-CB 4.32Å; V81-M87 HydrophobicContact CG2-CB 3.86Å; V81-M87 HydrophobicContact CG2-CE 4.2Å; V81-M87 HydrophobicContact CG2-SD 4.29Å
82N93.1Very high95.2Very high92 Ų9255.4 Ų55.449%0.49230%0.296SS..  trans-63.8163.4-178.4-64.5-33.6000111.6N54 D85N54-N82 WeakPolarHBondContact CB-O 3.17Å; N54-N82 PolarHBondContact ND2-O 3.3Å; N82-D85 HydrophobicContact CB-CB 3.86Å; N82-D85 PolarHBondContact O-N 3.3Å
83A92.8Very high95.2Very high37 Ų3755.4 Ų55.431%0.30630%0.296SS..THydrogen-bonded Turntrans-57.1137.4171.600000110.5L56 D57 D85L56-A83 VanDerWaalsContact O-CA 3.26Å; L56-A83 WeakPolarHBondContact O-CA 3.41Å; L56-A83 WeakPolarHBondContact O-CB 3.42Å; D57-A83 VanDerWaalsContact C-CB 3.4Å; A83-D85 PolarHBondContact O-N 3.28Å; A83-D85 VanDerWaalsContact O-N 3.12Å
84N95.1Very high95.2Very high106 Ų10656.1 Ų56.157%0.56730%0.296SS*.THydrogen-bonded Turntrans52.532.6177.3-63.5-47.6000114.7N54 L56 D57N54-N84 CarbonylContact O-C 3.45Å; N54-N84 WeakPolarHBondContact O-CA 3.31Å; N54-N84 PolarHBondContact O-N 3Å; N54-N84 VanDerWaalsContact O-N 3.11Å; L56-N84 PolarHBondContact O-N 2.84Å; D57-N84 PolarHBondContact OD1-ND2 2.79Å
85D96.3Very high95Very high59 Ų5961.9 Ų61.932%0.31632%0.316SS..EExtended strand (participates in β ladder)trans-129.2174-174.3-159.45.7000112.4N54 N82 A83N54-D85 PolarHBondContact N-O 3.39Å; N54-D85 PolarHBondContact O-N 3.37Å; N82-D85 HydrophobicContact CB-CB 3.86Å; N82-D85 PolarHBondContact O-N 3.3Å; A83-D85 PolarHBondContact O-N 3.28Å; A83-D85 VanDerWaalsContact O-N 3.12Å
86H96.3Very high94.9Very high113 Ų11359.6 Ų59.652%0.52330%0.302SS..EExtended strand (participates in β ladder)trans-130.6144.5178.862.2-71.3000111.5V51 I52V51-H86 HydrophobicContact CG1-CB 4.13Å; I52-H86 CarbonylContact O-C 3.56Å; I52-H86 WeakPolarHBondContact O-CA 3.44Å
87M95.9Very high94.5Very high38 Ų3863.8 Ų63.819%0.18731%0.312CS..EExtended strand (participates in β ladder)trans-123.9132.6177-171-164.262.300110I52 F62 V81 A89I52-M87 HydrophobicContact CB-CE 4.48Å; I52-M87 HydrophobicContact CD1-CE 3.34Å; I52-M87 HydrophobicContact CG1-CE 4.41Å; I52-M87 PolarHBondContact N-O 3.23Å; I52-M87 PolarHBondContact O-N 2.85Å; F62-M87 HydrophobicContact CD1-CE 4.24Å; F62-M87 HydrophobicContact CE1-CE 3.19Å; F62-M87 HydrophobicContact CE1-SD 3.64Å; F62-M87 HydrophobicContact CE2-CE 4.14Å; F62-M87 HydrophobicContact CZ-CE 3.15Å; F62-M87 HydrophobicContact CZ-SD 3.82Å; V81-M87 HydrophobicContact CG1-CB 4.32Å; V81-M87 HydrophobicContact CG2-CB 3.86Å; V81-M87 HydrophobicContact CG2-CE 4.2Å; V81-M87 HydrophobicContact CG2-SD 4.29Å; M87-A89 HydrophobicContact CE-CB 4.16Å
88R96.6Very high94Very high207 Ų20762.3 Ų62.378%0.78130%0.3SS*.EExtended strand (participates in β ladder)trans-84.3128170.5-67.9-174.9179.2-170.80.1109.7
89A96.1Very high93.6Very high8 Ų866.9 Ų66.97%0.06632%0.321CS..EExtended strand (participates in β ladder)trans-128.6173.5171.300000109.8A49 I50 I52 V75 M87A49-A89 WeakPolarHBondContact CA-O 3.21Å; I50-A89 HydrophobicContact CD1-CB 3.97Å; I50-A89 HydrophobicContact CG1-CB 3.7Å; I50-A89 WeakPolarHBondContact CG1-O 3.48Å; I50-A89 PolarHBondContact N-O 3Å; I50-A89 PolarHBondContact O-N 2.84Å; I50-A89 VanDerWaalsContact O-O 3.12Å; I52-A89 HydrophobicContact CD1-CB 4.33Å; V75-A89 CarbonylContact O-C 3.58Å; V75-A89 WeakPolarHBondContact O-CA 3.46Å; V75-A89 WeakPolarHBondContact O-CB 3.19Å; M87-A89 HydrophobicContact CE-CB 4.16Å
90E97.1Very high93.3Very high69 Ų6972.7 Ų72.732%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-132.9130.6-178.2-176.5179.9-151.400110.1S47 K48 A74 V75S47-E90 WeakPolarHBondContact CB-OE1 3.43Å; S47-E90 PolarHBondContact OG-OE1 3.07Å; K48-E90 WeakPolarHBondContact O-CA 3.45Å; A74-E90 CarbonylContact C-O 3.59Å; A74-E90 WeakPolarHBondContact CA-O 2.88Å; V75-E90 HydrophobicContact CB-CB 4.43Å; V75-E90 PolarHBondContact N-O 3.39Å; V75-E90 PolarHBondContact O-N 3.42Å
91I97.2Very high93.2Very high0 Ų070.9 Ų70.90%033%0.327CS..EExtended strand (participates in β ladder)trans-87.8125.8164.6-65169.2000107.4V36 L38 S47 K48 I50 L72 I108 I138V36-I91 HydrophobicContact CG1-CD1 4.11Å; V36-I91 HydrophobicContact CG2-CD1 4.01Å; L38-I91 HydrophobicContact CD1-CG2 3.84Å; S47-I91 CarbonylContact C-O 3.56Å; S47-I91 WeakPolarHBondContact CA-O 3.48Å; S47-I91 WeakPolarHBondContact CB-O 3.3Å; K48-I91 PolarHBondContact N-O 3.03Å; K48-I91 PolarHBondContact O-N 3.33Å; I50-I91 HydrophobicContact CD1-CD1 4.47Å; I50-I91 HydrophobicContact CD1-CG1 4.2Å; I50-I91 HydrophobicContact CG2-CD1 3.57Å; I50-I91 HydrophobicContact CG2-CG1 3.89Å; L72-I91 HydrophobicContact CD1-CG2 3.69Å; I91-I108 HydrophobicContact CB-CD1 4.02Å; I91-I108 HydrophobicContact CD1-CD1 3.78Å; I91-I108 HydrophobicContact CG1-CD1 3.61Å; I91-I108 HydrophobicContact CG2-CD1 3.29Å; I91-I138 HydrophobicContact CD1-CB 4.39Å; I91-I138 HydrophobicContact CD1-CD1 3.76Å; I91-I138 HydrophobicContact CD1-CG2 3.88Å
92R97Very high93Very high83 Ų8376.1 Ų76.131%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-123.5127.1-179.9-171.817568.4-161.3-2.7111S46 V73 H94S46-R92 CarbonylContact O-C 3.58Å; S46-R92 WeakPolarHBondContact O-CA 3.44Å; V73-R92 HydrophobicContact CG2-CB 4.08Å; V73-R92 PolarHBondContact N-O 2.9Å; V73-R92 PolarHBondContact O-N 3.19Å; R92-H94 VanDerWaalsContact CZ-CE1 3.48Å; R92-H94 PolarHBondContact NE-CE1 2.93Å; R92-H94 VanDerWaalsContact NE-CE1 3.29Å; R92-H94 PolarHBondContact NH2-CE1 3.26Å; R92-H94 PolarHBondContact NH2-NE2 2.92Å
93L96.7Very high92.6Very high2 Ų279 Ų791%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-95.1114.9164.5-177.867.1000108.7L38 P40 P45 S46 F71 F101 Y142L38-L93 HydrophobicContact CB-CB 4.47Å; L38-L93 HydrophobicContact CB-CD2 4.19Å; L38-L93 HydrophobicContact CD1-CB 3.92Å; P40-L93 HydrophobicContact CB-CD2 4.07Å; P45-L93 CarbonylContact C-O 3.55Å; P45-L93 VanDerWaalsContact CA-O 3.24Å; P45-L93 WeakPolarHBondContact CA-O 3.33Å; P45-L93 WeakPolarHBondContact CB-O 3.48Å; S46-L93 PolarHBondContact N-O 2.95Å; S46-L93 PolarHBondContact O-N 2.98Å; F71-L93 HydrophobicContact CB-CD1 3.79Å; F71-L93 CarbonylContact O-C 3.55Å; F71-L93 WeakPolarHBondContact O-CA 3.4Å; L93-F101 HydrophobicContact CD1-CE2 3.93Å; L93-Y142 HydrophobicContact CD1-CE1 4.06Å; L93-Y142 HydrophobicContact CD2-CD1 4.03Å; L93-Y142 HydrophobicContact CD2-CE1 3.8Å
94H95.5Very high92.4Very high52 Ų5282.8 Ų82.824%0.24137%0.366CS..PPolyproline II helixtrans-65.1152.9171.7-74.7-67.9000111.1F71 R92 I96F71-H94 PolarHBondContact O-CD2 2.99Å; F71-H94 PolarHBondContact O-N 3.35Å; R92-H94 VanDerWaalsContact CZ-CE1 3.48Å; R92-H94 PolarHBondContact NE-CE1 2.93Å; R92-H94 VanDerWaalsContact NE-CE1 3.29Å; R92-H94 PolarHBondContact NH2-CE1 3.26Å; R92-H94 PolarHBondContact NH2-NE2 2.92Å; H94-I96 PolarHBondContact O-N 3.28Å
95R93.8Very high92.2Very high130 Ų13082.1 Ų82.149%0.49136%0.363SS..PPolyproline II helixtrans-54.1142.2172.370.2-179.2-179.7-178.90.9110.6S41 W97S41-R95 CarbonylContact O-C 3.59Å; S41-R95 WeakPolarHBondContact O-CA 3.46Å; R95-W97 HydrophobicContact CG-CE3 4.26Å
96I92.6Very high92.1Very high5 Ų579.5 Ų79.53%0.02635%0.349CS..PPolyproline II helixtrans-79125.3176.8-60.7167.8000108.3P40 S41 Y42 H94 N98 F101 I146P40-I96 HydrophobicContact CB-CD1 3.5Å; S41-I96 PolarHBondContact O-N 3.47Å; Y42-I96 WeakPolarHBondContact CA-O 3.28Å; Y42-I96 HydrophobicContact CD1-CB 3.92Å; Y42-I96 HydrophobicContact CD1-CG2 3.91Å; Y42-I96 WeakPolarHBondContact CD1-O 3.44Å; Y42-I96 HydrophobicContact CE1-CB 4.11Å; Y42-I96 HydrophobicContact CE1-CG2 3.65Å; H94-I96 PolarHBondContact O-N 3.28Å; I96-N98 WeakPolarHBondContact CG2-O 3.24Å; I96-F101 HydrophobicContact CD1-CB 4.12Å; I96-F101 HydrophobicContact CD1-CD1 3.35Å; I96-F101 HydrophobicContact CD1-CD2 3.94Å; I96-F101 HydrophobicContact CD1-CE1 3.64Å; I96-F101 HydrophobicContact CD1-CE2 4.2Å; I96-F101 HydrophobicContact CD1-CG 3.5Å; I96-F101 HydrophobicContact CD1-CZ 4.07Å; I96-F101 HydrophobicContact CG1-CB 4.06Å; I96-F101 HydrophobicContact CG1-CD1 4.16Å; I96-F101 HydrophobicContact CG1-CD2 3.98Å; I96-F101 HydrophobicContact CG1-CG 3.78Å; I96-F101 HydrophobicContact CG2-CB 3.83Å; I96-F101 HydrophobicContact CG2-CG 4.41Å; I96-I146 HydrophobicContact CD1-CD1 4Å; I96-I146 HydrophobicContact CD1-CG1 4.29Å; I96-I146 HydrophobicContact CD1-CG2 3.79Å
97W87Confident92.1Very high137 Ų13777.3 Ų77.352%0.51934%0.339SS..  trans-124.8-2.9-179.253.838.6000113.8V70 F71 R95V70-W97 HydrophobicContact CG1-CZ2 4.46Å; F71-W97 AromaticContact CE1-NE1 3.96Å; R95-W97 HydrophobicContact CG-CE3 4.26Å
98N84Confident92.2Very high44 Ų4475.6 Ų75.624%0.23533%0.33CS..SBendtrans-152.7172.9-179.36933.1000109.8F71 I96 K100F71-N98 VanDerWaalsContact CZ-OD1 3.31Å; F71-N98 WeakPolarHBondContact CZ-OD1 3.19Å; I96-N98 WeakPolarHBondContact CG2-O 3.24Å; N98-K100 PolarHBondContact O-N 3.42Å; N98-K100 WeakPolarHBondContact OD1-CA 3.36Å; N98-K100 WeakPolarHBondContact OD1-CB 3.13Å; N98-K100 PolarHBondContact OD1-N 2.94Å
99N83.9Confident92.2Very high134 Ų13467.4 Ų67.472%0.71730%0.302SS*.THydrogen-bonded Turntrans-82.99.9-177.5-60.3-9.2000113.5F101 M150N99-F101 VanDerWaalsContact C-N 3.27Å; N99-M150 WeakPolarHBondContact OD1-CE 3.28Å
100K87.8Confident92.1Very high148 Ų14867 Ų6764%0.64330%0.298SS*.THydrogen-bonded Turntrans-83.8-2.7177.3-56.1-172.8174.9-171.80112.9F71 N98 H102F71-K100 HydrophobicContact CE2-CB 4.36Å; N98-K100 PolarHBondContact O-N 3.42Å; N98-K100 WeakPolarHBondContact OD1-CA 3.36Å; N98-K100 WeakPolarHBondContact OD1-CB 3.13Å; N98-K100 PolarHBondContact OD1-N 2.94Å; K100-H102 PolarHBondContact O-CD2 3.01Å; K100-H102 VanDerWaalsContact O-CD2 3.3Å; K100-H102 PolarHBondContact O-N 3.36Å
101F89.6Confident92Very high22 Ų2263.8 Ų63.810%0.09628%0.283CS..  trans-73.9116.2174.6177.6-100.2000109.3P40 F71 L93 I96 N99 R103 Y142 I146P40-F101 HydrophobicContact CB-CE1 3.94Å; P40-F101 HydrophobicContact CB-CZ 3.87Å; P40-F101 HydrophobicContact CG-CE1 4.42Å; P40-F101 HydrophobicContact CG-CZ 4.46Å; F71-F101 HydrophobicContact CB-CD2 4.3Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 AromaticContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CE2-CB 3.86Å; F71-F101 HydrophobicContact CE2-CD2 4.47Å; F71-F101 HydrophobicContact CG-CD2 4.04Å; F71-F101 HydrophobicContact CZ-CB 4.04Å; L93-F101 HydrophobicContact CD1-CE2 3.93Å; I96-F101 HydrophobicContact CD1-CB 4.12Å; I96-F101 HydrophobicContact CD1-CD1 3.35Å; I96-F101 HydrophobicContact CD1-CD2 3.94Å; I96-F101 HydrophobicContact CD1-CE1 3.64Å; I96-F101 HydrophobicContact CD1-CE2 4.2Å; I96-F101 HydrophobicContact CD1-CG 3.5Å; I96-F101 HydrophobicContact CD1-CZ 4.07Å; I96-F101 HydrophobicContact CG1-CB 4.06Å; I96-F101 HydrophobicContact CG1-CD1 4.16Å; I96-F101 HydrophobicContact CG1-CD2 3.98Å; I96-F101 HydrophobicContact CG1-CG 3.78Å; I96-F101 HydrophobicContact CG2-CB 3.83Å; I96-F101 HydrophobicContact CG2-CG 4.41Å; N99-F101 VanDerWaalsContact C-N 3.27Å; F101-R103 HydrophobicContact CE1-CB 3.88Å; F101-R103 HydrophobicContact CE1-CG 4.28Å; F101-Y142 HydrophobicContact CE2-CE1 4.19Å; F101-Y142 HydrophobicContact CE2-CE2 4.47Å; F101-Y142 HydrophobicContact CZ-CD1 4.05Å; F101-Y142 HydrophobicContact CZ-CD2 4.2Å; F101-Y142 HydrophobicContact CZ-CE1 4.06Å; F101-Y142 HydrophobicContact CZ-CE2 4.18Å; F101-Y142 HydrophobicContact CZ-CG 4.11Å; F101-I146 HydrophobicContact CD1-CD1 4.22Å; F101-I146 HydrophobicContact CE1-CD1 4.4Å
102H88.1Confident91.8Very high113 Ų11363.8 Ų63.852%0.52328%0.283SS..  trans-96.8117.3175.1-63.7-72.2000109Q68 K100 Q104Q68-H102 PolarHBondContact NE2-O 3.25Å; K100-H102 PolarHBondContact O-CD2 3.01Å; K100-H102 VanDerWaalsContact O-CD2 3.3Å; K100-H102 PolarHBondContact O-N 3.36Å; H102-Q104 VanDerWaalsContact C-N 3.25Å; H102-Q104 HydrophobicContact CB-CG 4.32Å; H102-Q104 PolarHBondContact O-N 3.13Å
103R85.3Confident91.5Very high152 Ų15260.8 Ų60.857%0.57427%0.272SS*.  trans-85.467.9178-167.8-173.764.4-157.5-8.3110.1F101 R144F101-R103 HydrophobicContact CE1-CB 3.88Å; F101-R103 HydrophobicContact CE1-CG 4.28Å; R103-R144 PolarHBondContact NH1-O 3.18Å
104Q88.7Confident91.1Very high116 Ų11665 Ų6554%0.54229%0.29SS..SBendtrans-120.3168.8175.165.4-173.518.500110.3H102 D106 Y142H102-Q104 VanDerWaalsContact C-N 3.25Å; H102-Q104 HydrophobicContact CB-CG 4.32Å; H102-Q104 PolarHBondContact O-N 3.13Å; Q104-D106 PolarHBondContact O-N 3.39Å; Q104-Y142 VanDerWaalsContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CE2 3.37Å
105D90.2Very high90.5Very high93 Ų9363.4 Ų63.450%0.49729%0.285SS..  trans-64.7123.7172.1-81.7-2.5000108.7K141D105-K141 IonicContact OD1-NZ 2.81Å; D105-K141 WeakPolarHBondContact OD2-CE 3.39Å; D105-K141 IonicContact OD2-NZ 2.73Å; D105-K141 PolarHBondContact OD2-NZ 2.74Å
106D95.2Very high89.6Confident3 Ų360 Ų602%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-111.6165.5-176-90-39000111.2T67 L72 Q104 V140 Y142T67-D106 WeakPolarHBondContact CB-OD1 3.36Å; T67-D106 WeakPolarHBondContact OG1-CB 3.2Å; T67-D106 VanDerWaalsContact OG1-CG 3.24Å; T67-D106 PolarHBondContact OG1-OD1 3.44Å; L72-D106 HydrophobicContact CD2-CB 3.91Å; Q104-D106 PolarHBondContact O-N 3.39Å; D106-V140 HydrophobicContact CB-CB 4.09Å; D106-V140 PolarHBondContact N-O 3.34Å; D106-V140 PolarHBondContact O-N 3.41Å; D106-Y142 HydrophobicContact CB-CE2 4.14Å; D106-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D106-Y142 WeakPolarHBondContact OD2-CE2 3.39Å; D106-Y142 PolarHBondContact OD2-OH 3.06Å
107H96.5Very high88.4Confident68 Ų6868 Ų6832%0.31532%0.321SS..EExtended strand (participates in β ladder)trans-127.9142178.3-61.1-54.4000111.8S66 T67 I137 I138S66-H107 WeakPolarHBondContact CA-O 3.38Å; T67-H107 HydrophobicContact CG2-CB 3.93Å; T67-H107 PolarHBondContact N-O 3.45Å; T67-H107 VanDerWaalsContact N-O 3.13Å; T67-H107 PolarHBondContact OG1-N 3.5Å; T67-H107 PolarHBondContact OG1-O 2.99Å; H107-I137 HydrophobicContact CB-CG2 3.98Å; H107-I138 WeakPolarHBondContact CA-O 3.43Å
108I96.5Very high87.1Confident1 Ų168.8 Ų68.81%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-113125.5163.1-62.7-177.3000107.5V64 R65 L72 I91 F110 I137 I138 V140V64-I108 HydrophobicContact CG1-CG2 3.27Å; R65-I108 WeakPolarHBondContact O-CA 3.37Å; L72-I108 HydrophobicContact CD1-CD1 3.89Å; L72-I108 HydrophobicContact CD2-CD1 4.07Å; L72-I108 HydrophobicContact CD2-CG1 3.83Å; L72-I108 HydrophobicContact CG-CD1 3.8Å; L72-I108 HydrophobicContact CG-CG1 4.02Å; I91-I108 HydrophobicContact CB-CD1 4.02Å; I91-I108 HydrophobicContact CD1-CD1 3.78Å; I91-I108 HydrophobicContact CG1-CD1 3.61Å; I91-I108 HydrophobicContact CG2-CD1 3.29Å; I108-F110 HydrophobicContact CB-CE2 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.16Å; I108-F110 HydrophobicContact CG2-CE2 3.45Å; I108-F110 VanDerWaalsContact CG2-CE2 3.45Å; I108-F110 HydrophobicContact CG2-CZ 3.89Å; I108-I137 WeakPolarHBondContact O-CA 3.32Å; I108-I138 PolarHBondContact N-O 2.91Å; I108-I138 PolarHBondContact O-N 3.28Å; I108-V140 HydrophobicContact CD1-CG2 4.02Å; I108-V140 HydrophobicContact CG1-CG2 3.9Å
109I96.3Very high85.8Confident35 Ų3569.5 Ų69.518%0.17934%0.343CS..EExtended strand (participates in β ladder)trans-112.3119.8-172.7-56.4167.9000107.5V64 R65 R135 I137V64-I109 WeakPolarHBondContact CA-O 3.33Å; R65-I109 PolarHBondContact N-O 2.92Å; R65-I109 PolarHBondContact O-N 3.25Å; I109-R135 VanDerWaalsContact CG2-CD 3.5Å; I109-R135 HydrophobicContact CG2-CG 3.59Å; I109-I137 HydrophobicContact CG1-CG1 4.44Å
110F95.6Very high84.4Confident0 Ų070.5 Ų70.50%034%0.344CS..EExtended strand (participates in β ladder)trans-99.1113.1171.7-65.9-100.1000107.5V31 I50 I52 F62 V64 I108 F112 R135 K136 I138V31-F110 HydrophobicContact CG1-CD2 4.25Å; V31-F110 HydrophobicContact CG1-CE2 4.16Å; V31-F110 HydrophobicContact CG1-CZ 4.39Å; V31-F110 HydrophobicContact CG2-CG 4.45Å; I50-F110 HydrophobicContact CD1-CE1 3.86Å; I50-F110 HydrophobicContact CD1-CE2 4.14Å; I50-F110 HydrophobicContact CD1-CZ 3.28Å; I52-F110 HydrophobicContact CD1-CD1 4.04Å; I52-F110 HydrophobicContact CD1-CE1 3.85Å; I52-F110 HydrophobicContact CG1-CE1 4.5Å; F62-F110 HydrophobicContact CD2-CD1 4.31Å; V64-F110 HydrophobicContact CB-CE1 4.36Å; V64-F110 HydrophobicContact CG1-CD1 4.34Å; V64-F110 HydrophobicContact CG1-CE1 4.01Å; V64-F110 HydrophobicContact CG1-CE2 4.27Å; V64-F110 HydrophobicContact CG1-CZ 3.94Å; V64-F110 HydrophobicContact CG2-CD1 3.52Å; V64-F110 HydrophobicContact CG2-CE1 3.38Å; V64-F110 HydrophobicContact CG2-CG 4.38Å; V64-F110 HydrophobicContact CG2-CZ 4.15Å; I108-F110 HydrophobicContact CB-CE2 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.16Å; I108-F110 HydrophobicContact CG2-CE2 3.45Å; I108-F110 VanDerWaalsContact CG2-CE2 3.45Å; I108-F110 HydrophobicContact CG2-CZ 3.89Å; F110-F112 HydrophobicContact CB-CD2 4.29Å; F110-F112 HydrophobicContact CB-CE2 3.53Å; F110-F112 HydrophobicContact CB-CZ 3.95Å; F110-R135 CarbonylContact O-C 3.49Å; F110-R135 VanDerWaalsContact O-CA 3.31Å; F110-R135 WeakPolarHBondContact O-CA 3.34Å; F110-K136 HydrophobicContact CB-CB 4.38Å; F110-K136 PolarHBondContact N-O 3.49Å; F110-K136 PolarHBondContact O-N 3.19Å; F110-I138 HydrophobicContact CE2-CD1 3.77Å; F110-I138 HydrophobicContact CE2-CG1 4.14Å; F110-I138 HydrophobicContact CZ-CD1 4.38Å
111D93.8Very high82.9Confident1 Ų169.3 Ų69.31%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-97124.6169.8-62-59.2000107.8F62 N63 R65 Y113 V132 R135F62-D111 CarbonylContact C-O 3.48Å; F62-D111 VanDerWaalsContact CA-O 3.26Å; F62-D111 WeakPolarHBondContact CA-O 3.49Å; N63-D111 PolarHBondContact N-O 3.37Å; N63-D111 PolarHBondContact O-N 3.21Å; R65-D111 IonicContact CZ-OD2 3.49Å; R65-D111 IonicContact NE-OD2 3.69Å; R65-D111 PolarHBondContact NE-OD2 3.3Å; R65-D111 IonicContact NH2-OD1 2.88Å; R65-D111 PolarHBondContact NH2-OD1 2.88Å; R65-D111 IonicContact NH2-OD2 3.18Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å; D111-Y113 HydrophobicContact CB-CE2 3.96Å; D111-Y113 WeakPolarHBondContact CB-OH 3.14Å; D111-Y113 WeakPolarHBondContact O-CE2 3.35Å; D111-V132 HydrophobicContact CB-CG1 4.04Å; D111-V132 HydrophobicContact CB-CG2 4.21Å; D111-R135 IonicContact OD1-CZ 2.71Å; D111-R135 IonicContact OD1-NE 3.48Å; D111-R135 PolarHBondContact OD1-NE 3.33Å; D111-R135 IonicContact OD1-NH2 3.13Å; D111-R135 PolarHBondContact OD1-NH2 3.28Å
112F93Very high81.1Confident1 Ų175.1 Ų75.10%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-106.2145.4-179.5-67.7-88.2000111V29 V31 I52 L60 S61 F62 F110 L133 C134 K136V29-F112 HydrophobicContact CG1-CD1 4.13Å; V29-F112 HydrophobicContact CG1-CD2 4.07Å; V29-F112 HydrophobicContact CG1-CE1 3.87Å; V29-F112 HydrophobicContact CG1-CE2 3.8Å; V29-F112 HydrophobicContact CG1-CG 4.23Å; V29-F112 HydrophobicContact CG1-CZ 3.7Å; V31-F112 HydrophobicContact CG2-CE2 3.93Å; V31-F112 HydrophobicContact CG2-CZ 3.68Å; I52-F112 HydrophobicContact CG2-CE1 3.72Å; I52-F112 HydrophobicContact CG2-CZ 3.81Å; L60-F112 HydrophobicContact CB-CD1 4.45Å; L60-F112 HydrophobicContact CD1-CD1 4.2Å; S61-F112 CarbonylContact O-C 3.55Å; S61-F112 WeakPolarHBondContact O-CA 3.46Å; F62-F112 HydrophobicContact CB-CD1 3.68Å; F62-F112 HydrophobicContact CB-CE1 3.67Å; F62-F112 HydrophobicContact CB-CG 4.4Å; F62-F112 HydrophobicContact CB-CZ 4.39Å; F62-F112 HydrophobicContact CG-CE1 4.37Å; F110-F112 HydrophobicContact CB-CD2 4.29Å; F110-F112 HydrophobicContact CB-CE2 3.53Å; F110-F112 HydrophobicContact CB-CZ 3.95Å; F112-L133 WeakPolarHBondContact O-CB 3.48Å; F112-L133 PolarHBondContact O-N 2.98Å; F112-C134 PolarHBondContact N-O 3.3Å; F112-K136 HydrophobicContact CE2-CB 4.15Å; F112-K136 HydrophobicContact CE2-CG 3.93Å
113Y90.7Very high79.3Confident20 Ų2074.4 Ų74.48%0.07838%0.378CS..EExtended strand (participates in β ladder)trans-136.6149.8179.9-45.2-97.9000109.2L60 S61 N63 D111 T115 S130 V132L60-Y113 WeakPolarHBondContact CD2-O 3.37Å; S61-Y113 PolarHBondContact N-O 3.46Å; S61-Y113 PolarHBondContact O-N 3.5Å; S61-Y113 WeakPolarHBondContact OG-CB 3.47Å; S61-Y113 PolarHBondContact OG-O 3.5Å; N63-Y113 HydrophobicContact CB-CE2 4.15Å; D111-Y113 HydrophobicContact CB-CE2 3.96Å; D111-Y113 WeakPolarHBondContact CB-OH 3.14Å; D111-Y113 WeakPolarHBondContact O-CE2 3.35Å; Y113-T115 PolarHBondContact O-N 2.78Å; Y113-S130 WeakPolarHBondContact CD1-O 3.32Å; Y113-S130 VanDerWaalsContact CE1-O 3.32Å; Y113-S130 WeakPolarHBondContact CE1-O 3.36Å; Y113-V132 HydrophobicContact CD1-CG2 4.41Å; Y113-V132 HydrophobicContact CE1-CB 4.25Å; Y113-V132 HydrophobicContact CE1-CG2 3.54Å
114K88.3Confident77.8Confident90 Ų9074 Ų7439%0.39138%0.381SS..EExtended strand (participates in β ladder)trans-63.9127.3168.2-171.7176.1-178.8-173.80108.5Y58Y58-K114 HydrophobicContact CD2-CG 4Å; Y58-K114 HydrophobicContact CE2-CB 4.4Å; Y58-K114 HydrophobicContact CE2-CD 4.4Å; Y58-K114 HydrophobicContact CE2-CG 3.94Å
115T83.7Confident76.1Confident19 Ų1975.7 Ų75.712%0.11739%0.393CS..PPolyproline II helixtrans-72.6129.2175.2-58.80000108.9P59 S61 Y113 M127P59-T115 WeakPolarHBondContact O-CB 3.47Å; P59-T115 PolarHBondContact O-N 3.26Å; P59-T115 PolarHBondContact O-OG1 3.12Å; S61-T115 PolarHBondContact N-OG1 3.22Å; Y113-T115 PolarHBondContact O-N 2.78Å; T115-M127 HydrophobicContact CG2-CE 4.04Å
116A75Confident74.2Confident58 Ų5877.9 Ų77.948%0.47940%0.398SS..PPolyproline II helixtrans-69.7140.8172.600000109.6N118 C119A116-N118 PolarHBondContact O-N 3.14Å; A116-C119 PolarHBondContact O-N 3.03Å; A116-C119 VanDerWaalsContact O-N 3.14Å
117E67.7Low72.2Confident174 Ų17479.7 Ų79.781%0.81341%0.407SS*.THydrogen-bonded Turntrans-57.5-20-171.6-70.1169.5-172.500113.9
118N60.2Low70.2Confident153 Ų15381.3 Ų81.382%0.81842%0.422SS*.THydrogen-bonded Turntrans-116.117.3-175.5-60.5-28.8000114.4A116 E120A116-N118 PolarHBondContact O-N 3.14Å; N118-E120 PolarHBondContact O-N 3.2Å; N118-E120 VanDerWaalsContact O-N 3.12Å
119C55.7Low68.2Low58 Ų5886.7 Ų86.739%0.39246%0.459SS..  trans-80.196.9178.1-83.20000111.4A116 T121A116-C119 PolarHBondContact O-N 3.03Å; A116-C119 VanDerWaalsContact O-N 3.14Å; C119-T121 PolarHBondContact O-N 2.92Å
120E55.4Low66.8Low156 Ų15687.5 Ų87.573%0.72947%0.468SS*.  trans-56.6136.3157.9-68.2-174.5162.300109.4N118 D122 Q123N118-E120 PolarHBondContact O-N 3.2Å; N118-E120 VanDerWaalsContact O-N 3.12Å; E120-D122 PolarHBondContact O-N 3.17Å; E120-Q123 PolarHBondContact O-N 3.08Å
121T54.8Low66Low123 Ų12392.7 Ų92.776%0.75550%0.504SS*.THydrogen-bonded Turntrans-53.4-8.1-168.9-31.70000115.6C119C119-T121 PolarHBondContact O-N 2.92Å
122D52.5Low65.6Low144 Ų14495.3 Ų95.377%0.7752%0.52SS*.THydrogen-bonded Turntrans-97.2-8.2-171.4-73.5-24.8000115.2E120 K124E120-D122 PolarHBondContact O-N 3.17Å; D122-K124 PolarHBondContact O-N 2.88Å
123Q50.2Low65.4Low98 Ų9896.5 Ų96.546%0.45853%0.526SS..  trans-92.867.7178.3-65.6-168.228.900113.1E120 D125E120-Q123 PolarHBondContact O-N 3.08Å; Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 PolarHBondContact O-N 3.29Å
124K54.3Low65.4Low144 Ų14496 Ų9663%0.62653%0.525SS*.THydrogen-bonded Turntrans-62.9-24.4-178.6-75.2175.5178.7165.30115.4D122D122-K124 PolarHBondContact O-N 2.88Å
125D52Low65.7Low150 Ų15097.8 Ų97.880%0.80253%0.53SS*.THydrogen-bonded Turntrans-93.8-15.2-172.6-66.3-30.3000113.9Q123Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 PolarHBondContact O-N 3.29Å
126K51Low66.2Low139 Ų13999.2 Ų99.260%0.60453%0.534SS*.G310 helixtrans-89.4-11.9-175.5-66.1-164.4-167.2160.60115.1V128 S129K126-V128 PolarHBondContact O-N 3.47Å; K126-S129 PolarHBondContact O-OG 2.83Å
127M53.6Low67.2Low41 Ų41100.7 Ų100.720%0.20253%0.533CS..G310 helixtrans-75.3-10.2178.7-77-176.1137.600114S61 T115 S129 S130S61-M127 WeakPolarHBondContact CB-SD 3.47Å; S61-M127 WeakPolarHBondContact OG-CE 3.48Å; S61-M127 PolarHBondContact OG-SD 3.28Å; S61-M127 VanDerWaalsContact OG-SD 3.37Å; T115-M127 HydrophobicContact CG2-CE 4.04Å; M127-S129 PolarHBondContact O-N 3.49Å; M127-S130 PolarHBondContact O-N 3.15Å
128V53.8Low68.6Low103 Ų10392.4 Ų92.462%0.62450%0.495SS*.G310 helixtrans-71.3-17.3-177.6-175.10000112.5K126 S130K126-V128 PolarHBondContact O-N 3.47Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 3.29Å
129S54.9Low70.4Confident114 Ų11493 Ų9380%0.79749%0.485SS*.G310 helixtrans-80.2-9.2177.158.10000114.2K126 M127K126-S129 PolarHBondContact O-OG 2.83Å; M127-S129 PolarHBondContact O-N 3.49Å
130S66.4Low72.3Confident51 Ų5190.2 Ų90.236%0.35747%0.467SS..SBendtrans-81.9137.8179.7-52.60000110.7Y113 M127 V128 V132Y113-S130 WeakPolarHBondContact CD1-O 3.32Å; Y113-S130 VanDerWaalsContact CE1-O 3.32Å; Y113-S130 WeakPolarHBondContact CE1-O 3.36Å; M127-S130 PolarHBondContact O-N 3.15Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 3.29Å; S130-V132 PolarHBondContact O-N 3.05Å
131S79.3Confident74.3Confident109 Ų10985.9 Ų85.976%0.76245%0.446SS*.PPolyproline II helixtrans-59.7130.5170.356.60000110L133S131-L133 PolarHBondContact O-N 2.89Å; S131-L133 VanDerWaalsContact O-N 3.12Å
132V85.5Confident76.2Confident56 Ų5681.2 Ų81.234%0.33941%0.414SS..PPolyproline II helixtrans-57.7117.5175.6179.50000108.8D111 Y113 S130 C134D111-V132 HydrophobicContact CB-CG1 4.04Å; D111-V132 HydrophobicContact CB-CG2 4.21Å; Y113-V132 HydrophobicContact CD1-CG2 4.41Å; Y113-V132 HydrophobicContact CE1-CB 4.25Å; Y113-V132 HydrophobicContact CE1-CG2 3.54Å; S130-V132 PolarHBondContact O-N 3.05Å; V132-C134 VanDerWaalsContact CG1-O 3.3Å; V132-C134 WeakPolarHBondContact CG1-O 3.45Å
133L87.7Confident78.1Confident26 Ų2675.6 Ų75.614%0.13639%0.386CS..  trans-69.2-48.5179.3178.968.8000110.8A25 L56 Y58 L60 F112 S131A25-L133 HydrophobicContact CB-CD1 3.76Å; A25-L133 HydrophobicContact CB-CD2 4.03Å; A25-L133 HydrophobicContact CB-CG 3.69Å; L56-L133 HydrophobicContact CD1-CD2 4.41Å; Y58-L133 HydrophobicContact CE2-CD2 4.28Å; L60-L133 HydrophobicContact CD2-CD2 3.58Å; F112-L133 WeakPolarHBondContact O-CB 3.48Å; F112-L133 PolarHBondContact O-N 2.98Å; S131-L133 PolarHBondContact O-N 2.89Å; S131-L133 VanDerWaalsContact O-N 3.12Å
134C91.6Very high79.9Confident9 Ų981.9 Ų81.96%0.06141%0.406CS..EExtended strand (participates in β ladder)trans-153.5160.8174.274.20000111.4F112 V132F112-C134 PolarHBondContact N-O 3.3Å; V132-C134 VanDerWaalsContact CG1-O 3.3Å; V132-C134 WeakPolarHBondContact CG1-O 3.45Å
135R93.8Very high81.6Confident128 Ų12885.3 Ų85.348%0.48342%0.415SS..EExtended strand (participates in β ladder)trans-125134.3178.7-178179.5-70.7157.99.5110.4I109 F110 D111 I137I109-R135 VanDerWaalsContact CG2-CD 3.5Å; I109-R135 HydrophobicContact CG2-CG 3.59Å; F110-R135 CarbonylContact O-C 3.49Å; F110-R135 VanDerWaalsContact O-CA 3.31Å; F110-R135 WeakPolarHBondContact O-CA 3.34Å; D111-R135 IonicContact OD1-CZ 2.71Å; D111-R135 IonicContact OD1-NE 3.48Å; D111-R135 PolarHBondContact OD1-NE 3.33Å; D111-R135 IonicContact OD1-NH2 3.13Å; D111-R135 PolarHBondContact OD1-NH2 3.28Å; R135-I137 HydrophobicContact CG-CG1 4.33Å
136K95.1Very high83.3Confident49 Ų4980.3 Ų80.321%0.21339%0.388CS..EExtended strand (participates in β ladder)trans-121.6141.3171-61.8-64.2-174.8175.60110.6S26 V29 V31 F110 F112S26-K136 VanDerWaalsContact O-CE 3.23Å; S26-K136 WeakPolarHBondContact O-CE 3.39Å; S26-K136 PolarHBondContact O-NZ 2.97Å; S26-K136 PolarHBondContact OG-NZ 3.05Å; S26-K136 VanDerWaalsContact OG-NZ 3.08Å; V29-K136 WeakPolarHBondContact O-CE 3.47Å; V29-K136 PolarHBondContact O-NZ 3Å; V31-K136 HydrophobicContact CB-CB 4.25Å; V31-K136 HydrophobicContact CG2-CB 3.77Å; V31-K136 HydrophobicContact CG2-CG 3.97Å; F110-K136 HydrophobicContact CB-CB 4.38Å; F110-K136 PolarHBondContact N-O 3.49Å; F110-K136 PolarHBondContact O-N 3.19Å; F112-K136 HydrophobicContact CE2-CB 4.15Å; F112-K136 HydrophobicContact CE2-CG 3.93Å
137I96Very high85.1Confident89 Ų8978 Ų7846%0.45638%0.379SS..EExtended strand (participates in β ladder)trans-123125.4-175.7-56.2177.8000108.8H107 I108 I109 R135H107-I137 HydrophobicContact CB-CG2 3.98Å; I108-I137 WeakPolarHBondContact O-CA 3.32Å; I109-I137 HydrophobicContact CG1-CG1 4.44Å; R135-I137 HydrophobicContact CG-CG1 4.33Å
138I96.9Very high86.6Confident1 Ų178 Ų781%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-98.5128167.3-63.8-178.9000108.5V31 P33 S34 V36 I50 I91 H107 I108 F110V31-I138 HydrophobicContact CG1-CD1 3.69Å; V31-I138 HydrophobicContact CG1-CG1 4.27Å; P33-I138 WeakPolarHBondContact O-CD1 3.41Å; S34-I138 WeakPolarHBondContact O-CA 3.11Å; V36-I138 HydrophobicContact CG1-CG2 4.12Å; V36-I138 HydrophobicContact CG2-CG2 3.93Å; I50-I138 HydrophobicContact CB-CD1 4.46Å; I50-I138 HydrophobicContact CD1-CD1 4.1Å; I50-I138 HydrophobicContact CG2-CD1 3.95Å; I91-I138 HydrophobicContact CD1-CB 4.39Å; I91-I138 HydrophobicContact CD1-CD1 3.76Å; I91-I138 HydrophobicContact CD1-CG2 3.88Å; H107-I138 WeakPolarHBondContact CA-O 3.43Å; I108-I138 PolarHBondContact N-O 2.91Å; I108-I138 PolarHBondContact O-N 3.28Å; F110-I138 HydrophobicContact CE2-CD1 3.77Å; F110-I138 HydrophobicContact CE2-CG1 4.14Å; F110-I138 HydrophobicContact CZ-CD1 4.38Å
139R97.2Very high88Confident164 Ų16480.7 Ų80.762%0.61940%0.395SS*.EExtended strand (participates in β ladder)trans-81.5123.1171.9-63.6-174.2175.9179-1.7109.8S34 K35 V36S34-R139 PolarHBondContact O-N 2.89Å; K35-R139 CarbonylContact C-O 3.43Å; K35-R139 VanDerWaalsContact CA-O 3.28Å; K35-R139 WeakPolarHBondContact CA-O 3.26Å; K35-R139 HydrophobicContact CG-CB 4.5Å; V36-R139 PolarHBondContact N-O 3.37Å
140V97Very high89.1Confident0 Ų079 Ų790%038%0.376CS..EExtended strand (participates in β ladder)trans-103.6119.8177.2-176.80000108.6V36 L38 L72 D106 I108 Y142V36-V140 HydrophobicContact CG2-CB 4.15Å; V36-V140 HydrophobicContact CG2-CG1 4.15Å; V36-V140 HydrophobicContact CG2-CG2 3.68Å; L38-V140 HydrophobicContact CD1-CG1 3.67Å; L38-V140 HydrophobicContact CG-CG1 4.21Å; L72-V140 HydrophobicContact CD1-CG1 4.25Å; L72-V140 HydrophobicContact CD1-CG2 4.47Å; L72-V140 HydrophobicContact CD2-CB 4.09Å; L72-V140 HydrophobicContact CD2-CG1 4.1Å; L72-V140 HydrophobicContact CD2-CG2 3.84Å; D106-V140 HydrophobicContact CB-CB 4.09Å; D106-V140 PolarHBondContact N-O 3.34Å; D106-V140 PolarHBondContact O-N 3.41Å; I108-V140 HydrophobicContact CD1-CG2 4.02Å; I108-V140 HydrophobicContact CG1-CG2 3.9Å; V140-Y142 HydrophobicContact CG1-CE1 3.88Å
141K96.2Very high89.4Confident66 Ų6685.3 Ų85.329%0.28740%0.397SS..EExtended strand (participates in β ladder)trans-107.6153.4171.2-60.6-147.3177.8-126.60109.9K35 V36 L37 L38 D105K35-K141 VanDerWaalsContact CE-CD 3.47Å; K35-K141 VanDerWaalsContact CE-CE 3.47Å; V36-K141 PolarHBondContact O-N 2.96Å; L37-K141 WeakPolarHBondContact CA-O 3.33Å; L37-K141 HydrophobicContact CD1-CB 4Å; L38-K141 PolarHBondContact N-O 3.35Å; D105-K141 IonicContact OD1-NZ 2.81Å; D105-K141 WeakPolarHBondContact OD2-CE 3.39Å; D105-K141 IonicContact OD2-NZ 2.73Å; D105-K141 PolarHBondContact OD2-NZ 2.74Å
142Y95.4Very high88.7Confident24 Ų2491.3 Ų91.39%0.09440%0.403CS..EExtended strand (participates in β ladder)trans-112.4147.8176.5-57.9-67.5000111.4L38 Q68 L93 F101 Q104 D106 V140L38-Y142 HydrophobicContact CB-CD1 4.22Å; L38-Y142 HydrophobicContact CB-CE1 4.36Å; L38-Y142 VanDerWaalsContact O-CA 3.32Å; L38-Y142 WeakPolarHBondContact O-CA 3.31Å; Q68-Y142 PolarHBondContact OE1-OH 3.45Å; L93-Y142 HydrophobicContact CD1-CE1 4.06Å; L93-Y142 HydrophobicContact CD2-CD1 4.03Å; L93-Y142 HydrophobicContact CD2-CE1 3.8Å; F101-Y142 HydrophobicContact CE2-CE1 4.19Å; F101-Y142 HydrophobicContact CE2-CE2 4.47Å; F101-Y142 HydrophobicContact CZ-CD1 4.05Å; F101-Y142 HydrophobicContact CZ-CD2 4.2Å; F101-Y142 HydrophobicContact CZ-CE1 4.06Å; F101-Y142 HydrophobicContact CZ-CE2 4.18Å; F101-Y142 HydrophobicContact CZ-CG 4.11Å; Q104-Y142 VanDerWaalsContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CE2 3.37Å; D106-Y142 HydrophobicContact CB-CE2 4.14Å; D106-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D106-Y142 WeakPolarHBondContact OD2-CE2 3.39Å; D106-Y142 PolarHBondContact OD2-OH 3.06Å; V140-Y142 HydrophobicContact CG1-CE1 3.88Å
143S92.8Very high87.6Confident27 Ų2796.5 Ų96.519%0.18943%0.428CS..  trans-64.3154.8167.171.60000110.5L38 N39 P40 R145L38-S143 PolarHBondContact O-N 3.49Å; L38-S143 VanDerWaalsContact O-N 3.14Å; N39-S143 WeakPolarHBondContact OD1-CB 3.31Å; N39-S143 PolarHBondContact OD1-OG 2.85Å; P40-S143 WeakPolarHBondContact CD-OG 3.39Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 2.75Å; S143-R145 PolarHBondContact OG-O 2.92Å
144R87.9Confident85.7Confident229 Ų229100.4 Ų100.486%0.86446%0.457SS*.SBendtrans-65.1-33.2-173.4-70.6-176.1178.2-178.9-0.3112.8R103R103-R144 PolarHBondContact NH1-O 3.18Å
145R88.7Confident83.8Confident216 Ų216106.3 Ų106.382%0.81549%0.487SS*.SBendtrans-105.2139-176.5-65.8-176.8177.5179.5-0.5109.9S143S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 2.75Å; S143-R145 PolarHBondContact OG-O 2.92Å
146I89.3Confident81.5Confident46 Ų46105.5 Ų105.524%0.23650%0.498CS..  trans-84.5123.1168.5-56.6174.4000107.1P40 Y42 I96 F101P40-I146 HydrophobicContact CB-CG1 4.09Å; P40-I146 HydrophobicContact CB-CG2 4.26Å; P40-I146 HydrophobicContact CG-CG1 3.98Å; P40-I146 CarbonylContact O-C 3.57Å; P40-I146 WeakPolarHBondContact O-CA 3.39Å; Y42-I146 HydrophobicContact CD2-CB 4.45Å; Y42-I146 HydrophobicContact CD2-CG2 3.52Å; Y42-I146 HydrophobicContact CE1-CG2 4.31Å; Y42-I146 HydrophobicContact CE2-CB 3.84Å; Y42-I146 HydrophobicContact CE2-CG2 3.28Å; Y42-I146 HydrophobicContact CG-CG2 4.16Å; I96-I146 HydrophobicContact CD1-CD1 4Å; I96-I146 HydrophobicContact CD1-CG1 4.29Å; I96-I146 HydrophobicContact CD1-CG2 3.79Å; F101-I146 HydrophobicContact CD1-CD1 4.22Å; F101-I146 HydrophobicContact CE1-CD1 4.4Å
147E88.1Confident79Confident89 Ų89108.5 Ų108.542%0.41652%0.524SS..BIsolated β-bridgetrans-73.9142.5-178.2-67.5175.8-171.200112N39 P40 S41 Y42N39-E147 PolarHBondContact ND2-OE1 2.77Å; P40-E147 PolarHBondContact O-N 2.8Å; S41-E147 CarbonylContact C-O 3.51Å; S41-E147 WeakPolarHBondContact CA-O 3.46Å; Y42-E147 PolarHBondContact N-O 2.96Å
148G85.4Confident76.7Confident41 Ų41115.2 Ų115.242%0.42354%0.544SS..SBendtrans80-178.8178.400000114.4Y42Y42-G148 WeakPolarHBondContact CD2-O 3.48Å
149E82.4Confident74.3Confident160 Ų160123.4 Ų123.475%0.74858%0.582SS**  trans-105.1135.4179.2-64.4-179.4170.200110.9K151E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.17Å
150M79.1Confident71.8Confident78 Ų78126.2 Ų126.238%0.38459%0.592SS.*  trans-66.6116170.3-170179.3-175.200108.2Y42 N99 R152Y42-M150 HydrophobicContact CD1-CB 3.88Å; Y42-M150 HydrophobicContact CD1-CG 4.07Å; Y42-M150 HydrophobicContact CD2-CB 4.45Å; Y42-M150 HydrophobicContact CE1-CB 3.8Å; Y42-M150 HydrophobicContact CE1-CG 4Å; Y42-M150 HydrophobicContact CE1-SD 4.31Å; Y42-M150 HydrophobicContact CE2-CB 4.36Å; Y42-M150 HydrophobicContact CG-CB 4.22Å; N99-M150 WeakPolarHBondContact OD1-CE 3.28Å; M150-R152 PolarHBondContact O-N 2.89Å
151K72Confident69.4Low185 Ų185132.4 Ų132.480%0.80463%0.63SS**  trans-60.6109.9172.4-68.2-171.9179.3-173.60107.9E149 L153E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.17Å; K151-L153 PolarHBondContact O-N 2.76Å
152R65.7Low67.2Low235 Ų235136.3 Ų136.389%0.88765%0.653SS**  trans-55.1117.3166.6-71.5-175179.7-179.70.6106M150 S154M150-R152 PolarHBondContact O-N 2.89Å; R152-S154 PolarHBondContact O-N 3.38Å
153L60.6Low64.5Low165 Ų165139 Ų13986%0.86469%0.688SS**  trans-64.690.4165-68.6171.6000105.1K151 I155K151-L153 PolarHBondContact O-N 2.76Å; L153-I155 PolarHBondContact O-N 2.85Å
154S49.2Very low62.1Low107 Ų107140.6 Ų140.675%0.74871%0.709SS**  trans-64.692.5161.845.70000105.5R152 P156R152-S154 PolarHBondContact O-N 3.38Å; S154-P156 VanDerWaalsContact O-CD 3.27Å; S154-P156 WeakPolarHBondContact O-CD 3.4Å
155I50.9Low60.1Low133 Ų133139.4 Ų139.468%0.68271%0.71SS**  trans-55.8120.2153.1-59.3172.7000103L153 C157L153-I155 PolarHBondContact O-N 2.85Å; I155-C157 PolarHBondContact O-N 3.25Å
156P44.8Very low58.1Low112 Ų112139.4 Ų139.473%0.72772%0.716SS**  trans-62.997.4166.512.1-5.9000105.2S154 R158S154-P156 VanDerWaalsContact O-CD 3.27Å; S154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-R158 PolarHBondContact O-N 2.55Å
157C42.8Very low56.1Low112 Ų112146.3 Ų146.376%0.75774%0.744SS**  trans-58.993.6158.1-73.10000104.4I155 Q159I155-C157 PolarHBondContact O-N 3.25Å; C157-Q159 PolarHBondContact O-N 3.49Å
158R48.2Very low54.2Low230 Ų230151.1 Ų151.187%0.86876%0.764SS**  trans-57.896.3154.6-83.1-175.3169.1-175.3-4103.8P156 R160P156-R158 PolarHBondContact O-N 2.55Å; R158-R160 PolarHBondContact O-N 3.33Å
159Q45.9Very low52.5Low172 Ų172155.4 Ų155.480%0.80478%0.776SS**  trans-52.896.5155.7-83.6177.4-8.700104.8C157 T161C157-Q159 PolarHBondContact O-N 3.49Å; Q159-T161 PolarHBondContact O-N 3.44Å
160R44.9Very low51Low223 Ų223153.8 Ų153.884%0.84277%0.772SS**  trans-67.387.7156.2-80.4-177.9169.3170.7-3.4103.9R158 I162R158-R160 PolarHBondContact O-N 3.33Å; R160-I162 HydrophobicContact CB-CG1 4.38Å; R160-I162 PolarHBondContact O-N 2.81Å
161T47.5Very low49.4Very low130 Ų130158.6 Ų158.680%0.79879%0.791SS**  trans-60.389.5153.410.30000105.4Q159 G163Q159-T161 PolarHBondContact O-N 3.44Å; T161-G163 PolarHBondContact O-N 2.87Å
162I49.1Very low48.2Very low149 Ų149155.8 Ų155.876%0.76479%0.785SS**  trans-69.192.1159.2-63175.8000103.9R160 G164R160-I162 HydrophobicContact CB-CG1 4.38Å; R160-I162 PolarHBondContact O-N 2.81Å; I162-G164 PolarHBondContact O-N 3.12Å; I162-G164 VanDerWaalsContact O-N 3.12Å
163G39.6Very low47.5Very low80 Ų80154.8 Ų154.883%0.82578%0.781SS**  trans-57.6110.3161.300000107.4T161T161-G163 PolarHBondContact O-N 2.87Å
164G42.2Very low46.8Very low61 Ų61152.8 Ų152.863%0.62978%0.781SS**  trans-159.676.3-175.200000109.9I162I162-G164 PolarHBondContact O-N 3.12Å; I162-G164 VanDerWaalsContact O-N 3.12Å
165K45.5Very low46.8Very low204 Ų204156.1 Ų156.189%0.88779%0.785SS**  trans24.4109.7154.4-63.5177.9178.7177.60116.4
166K47.3Very low46.6Very low215 Ų215161.9 Ų161.994%0.93580%0.798SS**  trans-156.1122.6135.7-107.9164.9-172.1-174.40110.6
167K46.7Very low46.8Very low192 Ų192165.2 Ų165.284%0.83580%0.801SS**  trans-51143.6172.7-62.3169172.3179.90110.6
168F47.7Very low47.1Very low190 Ų190169.7 Ų169.783%0.83381%0.807SS**  trans174.992.3143.9-91.4-68.9000105.8
169I50.3Low46.9Very low131 Ų131165.9 Ų165.967%0.67280%0.804SS**  76.711595.6-68.6178.2000113.3
170N50.4Low47.1Very low126 Ų126165.5 Ų165.567%0.67481%0.806SS**  trans78.8120.5150.1-69.9-15.4000123.3
171K46.6Very low47.2Very low179 Ų179160.5 Ų160.578%0.77880%0.803SS**  trans60121.1135.3-61.1175.3177.1179.60114.9
172D47.1Very low46.9Very low125 Ų125165.3 Ų165.367%0.66881%0.806SS**  -173.8152.957.9-136.3-15000111.1
173R50.7Low46.7Very low214 Ų214167.7 Ų167.781%0.80881%0.814SS**  trans54.6122.5146.8-77.6160.6-176.8-162.9-2.9122.9
174S46.4Very low46.8Very low123 Ų123169.9 Ų169.986%0.8681%0.811SS**  trans102.9105139.884.10000116.8
175Q48.7Very low47.1Very low178 Ų178172.7 Ų172.783%0.83282%0.821SS**  trans-74.9120.8174.6-60.1179.9-5.600110
176R46.9Very low47.1Very low253 Ų253168.3 Ų168.396%0.95582%0.816SS**  trans-133.694147.3-92-172.5171.5-175.7-1.6108.7
177K47.5Very low47.3Very low183 Ų183166.4 Ų166.480%0.79682%0.815SS**  trans-71.4117.8166.4-74178.4175.2176.90108.7
178K50.2Low47.2Very low206 Ų206160.4 Ų160.490%0.89681%0.808SS**  trans-131.4114148.7-86.6-168.9176.8-178.80109
179N44Very low47Very low150 Ų150160.3 Ų160.380%0.80281%0.81SS**  trans-61.1130.6176-62.2-39.4000110.6
180I50.2Low46.8Very low163 Ų163166 Ų16684%0.83682%0.823SS**  trans-134.6116152.5-59.9-179000107.5
181P47.6Very low46.6Very low119 Ų119165.5 Ų165.577%0.77383%0.829SS**  trans-77.2142.5-178.127.1-28.3000112.7
182R40.4Very low46.9Very low231 Ų231168.2 Ų168.287%0.87284%0.835SS**  trans-57.7129.8169.1-85.4173165.4173.3-4.6111.2
183Q45.5Very low46.8Very low198 Ų198168.3 Ų168.393%0.92585%0.845SS**  trans-99.2115.8146.9-80.3-173.4-7.900108.5
184T41.7Very low46.9Very low126 Ų126162.3 Ų162.377%0.77384%0.836SS**  trans-98.6127.3165.339.30000106.6
185S47.6Very low47Very low120 Ų120161 Ų16184%0.83983%0.827SS**  trans-113.3120159.352.30000108.1
186S46Very low47Very low112 Ų112158.5 Ų158.578%0.78383%0.829SS**  trans-63.7133.9174.742.40000111.2
187I50.8Low47.4Very low175 Ų175151.2 Ų151.290%0.89781%0.809SS**  trans-136.7125.9147.7-65.9-174.9000107.1
188G45.3Very low48Very low67 Ų67148.6 Ų148.669%0.69181%0.81SS**  trans-71.1156.8-165.400000114.9
189E44.1Very low48.5Very low188 Ų188144.6 Ų144.688%0.87980%0.798SS**  trans-33.4138.3159.1-56.8169.2149.200114.1
190R45.7Very low49.3Very low250 Ų250140.8 Ų140.894%0.94378%0.778SS**  -160.4109.9125.3-113.2173-178.4-177.40.1110.4R192R190-R192 PolarHBondContact O-N 3.42Å
191S46.1Very low49.8Very low115 Ų115142 Ų14280%0.80478%0.777SS**  trans-49.8126.2164.2-49.20000111
192R52.5Low51Low237 Ų237145.7 Ų145.789%0.89478%0.781SS**  trans-137.699.2149.3-82.8-170169.5168.8-4.3107.9R190 S194R190-R192 PolarHBondContact O-N 3.42Å; R192-S194 PolarHBondContact O-N 3.13Å
193S45.6Very low51.8Low126 Ų126139.6 Ų139.688%0.88176%0.761SS**  trans-45.8116.2150.442.20000109.2
194S51.3Low52.7Low88 Ų88135.8 Ų135.862%0.61575%0.754SS**  trans-145.5127.5161.6920000108.3R192R192-S194 PolarHBondContact O-N 3.13Å
195S48.9Very low53.5Low97 Ų97134.7 Ų134.768%0.67875%0.75SS**  trans-31.3132.1-176.155.70000115.3D197S195-D197 VanDerWaalsContact C-N 3.31Å; S195-D197 PolarHBondContact O-N 3.41Å; S195-D197 VanDerWaalsContact O-N 3.16Å
196S50Low54.3Low125 Ų125135 Ų13587%0.87475%0.749SS**  trans-79.178.2166.849.10000109.3
197D54.5Low55.3Low99 Ų99132.5 Ų132.553%0.52973%0.729SS.*  trans-107.4109.3161.2-159.9-19.8000108.9S195 L199S195-D197 VanDerWaalsContact C-N 3.31Å; S195-D197 PolarHBondContact O-N 3.41Å; S195-D197 VanDerWaalsContact O-N 3.16Å; D197-L199 PolarHBondContact O-N 2.61Å; D197-L199 VanDerWaalsContact O-N 3.14Å; D197-L199 PolarHBondContact OD1-N 2.63Å
198P60.6Low56.6Low128 Ų128127.1 Ų127.183%0.83171%0.707SS**THydrogen-bonded Turntrans-69.6-0.8-17927.2-32000114
199L60.2Low58.2Low123 Ų123129.4 Ų129.464%0.64470%0.702SS**THydrogen-bonded Turntrans-107.510.5-179.5-67.6170.8000114.9D197 F201D197-L199 PolarHBondContact O-N 2.61Å; D197-L199 VanDerWaalsContact O-N 3.14Å; D197-L199 PolarHBondContact OD1-N 2.63Å; L199-F201 HydrophobicContact CD2-CE2 4.41Å; L199-F201 WeakPolarHBondContact O-CD2 3.48Å; L199-F201 PolarHBondContact O-N 3.03Å
200D61.1Low59.6Low70 Ų70128.1 Ų128.137%0.37469%0.694SS.*  trans-78.186.4175.2-169.85.2000111.9K202 K203D200-K202 PolarHBondContact O-N 3.39Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 PolarHBondContact OD1-N 3.28Å; D200-K203 PolarHBondContact O-N 3.06Å; D200-K203 VanDerWaalsContact OD2-CE 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.25Å; D200-K203 IonicContact OD2-NZ 3.52Å
201F61.1Low61.2Low187 Ų187119.3 Ų119.382%0.8267%0.668SS**THydrogen-bonded Turntrans-64.2-7.5178.2-68.8-83.2000114.5L199 K203L199-F201 HydrophobicContact CD2-CE2 4.41Å; L199-F201 WeakPolarHBondContact O-CD2 3.48Å; L199-F201 PolarHBondContact O-N 3.03Å; F201-K203 VanDerWaalsContact C-N 3.33Å
202K72.1Confident62.7Low198 Ų198120.9 Ų120.986%0.86166%0.656SS**THydrogen-bonded Turntrans-78.1-17.4176-68.9-169.8178.3-177.70113.1D200D200-K202 PolarHBondContact O-N 3.39Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 PolarHBondContact OD1-N 3.28Å
203K58Low64.1Low103 Ų103117 Ų11745%0.44864%0.641SS.*SBendtrans-89.2127.6177.1-67.5176.9-172.2167.10109.3D200 F201 C205D200-K203 PolarHBondContact O-N 3.06Å; D200-K203 VanDerWaalsContact OD2-CE 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.25Å; D200-K203 IonicContact OD2-NZ 3.52Å; F201-K203 VanDerWaalsContact C-N 3.33Å; K203-C205 PolarHBondContact O-N 3.12Å; K203-C205 VanDerWaalsContact O-N 3.08Å
204P62.6Low65.8Low118 Ų118113.8 Ų113.877%0.76662%0.623SS**  trans-56.8123.4174.922.4-31.2000108.5
205C58.8Low67.4Low103 Ų103114.3 Ų114.370%0.69662%0.618SS**  trans-45.9135.1-176.8-56.90000109.8K203 T207K203-C205 PolarHBondContact O-N 3.12Å; K203-C205 VanDerWaalsContact O-N 3.08Å; C205-T207 PolarHBondContact O-N 3.14Å
206P64.8Low69.2Low125 Ų125117.1 Ų117.181%0.81262%0.618SS**  trans-61.489.1-179.523.1-31.6000110
207T68Low70.9Confident60 Ų60119.7 Ų119.737%0.36861%0.609SS.*  trans-70.6131.3172.732.50000108C205 V211 R212C205-T207 PolarHBondContact O-N 3.14Å; T207-V211 HydrophobicContact CG2-CB 4.36Å; T207-V211 HydrophobicContact CG2-CG1 3.78Å; T207-R212 PolarHBondContact O-NE 3.14Å; T207-R212 VanDerWaalsContact O-NE 3.16Å; T207-R212 WeakPolarHBondContact OG1-CG 3.43Å; T207-R212 PolarHBondContact OG1-NE 2.83Å
208S78.2Confident72.4Confident62 Ų62116.9 Ų116.943%0.43460%0.603SS.*  trans-54.8151.3178.395.40000110.6F210 V211 R212S208-F210 PolarHBondContact O-N 3.37Å; S208-F210 PolarHBondContact OG-N 2.83Å; S208-V211 WeakPolarHBondContact O-CA 3.23Å; S208-V211 PolarHBondContact O-N 3.2Å; S208-V211 PolarHBondContact OG-N 3.36Å; S208-R212 PolarHBondContact O-N 3.49Å
209I78.3Confident73.7Confident115 Ų115120.4 Ų120.459%0.5960%0.6SS**Hα-helixtrans-51.9-34178.6-64.2171.3000111.1R212 R213I209-R212 PolarHBondContact O-N 2.88Å; I209-R213 HydrophobicContact CG2-CG 4.5Å; I209-R213 WeakPolarHBondContact O-CB 3.47Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 2.97Å
210F73.8Confident75.2Confident161 Ų161119.9 Ų119.971%0.70659%0.594SS**Hα-helixtrans-66.6-43.2175.9-64-80000112.7S208 R213 A214S208-F210 PolarHBondContact O-N 3.37Å; S208-F210 PolarHBondContact OG-N 2.83Å; F210-R213 PolarHBondContact O-N 3.33Å; F210-A214 VanDerWaalsContact O-CB 3.31Å; F210-A214 WeakPolarHBondContact O-CB 3.46Å; F210-A214 PolarHBondContact O-N 2.67Å
211V78.9Confident76.6Confident65 Ų65124.3 Ų124.339%0.39461%0.61SS.*Hα-helixtrans-64.9-43.7175.7177.80000110.3T207 S208 R213 A214 L215T207-V211 HydrophobicContact CG2-CB 4.36Å; T207-V211 HydrophobicContact CG2-CG1 3.78Å; S208-V211 WeakPolarHBondContact O-CA 3.23Å; S208-V211 PolarHBondContact O-N 3.2Å; S208-V211 PolarHBondContact OG-N 3.36Å; V211-R213 PolarHBondContact O-N 3.34Å; V211-A214 PolarHBondContact O-N 2.76Å; V211-L215 HydrophobicContact CG1-CD1 3.93Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.83Å
212R78.2Confident78Confident148 Ų148124.4 Ų124.456%0.55861%0.605SS**Hα-helixtrans-60-45175.7-66.4-174.4-169-175.61.4111.9T207 S208 I209 L215 K216T207-R212 PolarHBondContact O-NE 3.14Å; T207-R212 VanDerWaalsContact O-NE 3.16Å; T207-R212 WeakPolarHBondContact OG1-CG 3.43Å; T207-R212 PolarHBondContact OG1-NE 2.83Å; S208-R212 PolarHBondContact O-N 3.49Å; I209-R212 PolarHBondContact O-N 2.88Å; R212-L215 PolarHBondContact O-N 2.84Å; R212-K216 WeakPolarHBondContact O-CB 3.38Å; R212-K216 PolarHBondContact O-N 3.49Å
213R80.6Confident78.9Confident155 Ų155122.9 Ų122.959%0.58559%0.594SS**Hα-helixtrans-63.4-41.8175.2-77.2-179-177178.41.2112.1I209 F210 V211 K216 R217I209-R213 HydrophobicContact CG2-CG 4.5Å; I209-R213 WeakPolarHBondContact O-CB 3.47Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 2.97Å; F210-R213 PolarHBondContact O-N 3.33Å; V211-R213 PolarHBondContact O-N 3.34Å; R213-K216 PolarHBondContact O-N 2.71Å; R213-R217 WeakPolarHBondContact O-CG 3.21Å; R213-R217 PolarHBondContact O-N 2.8Å
214A81.7Confident80.5Confident60 Ų60121.8 Ų121.850%0.49659%0.592SS.*Hα-helixtrans-64.7-44.817800000111.9F210 V211 R217 G218F210-A214 VanDerWaalsContact O-CB 3.31Å; F210-A214 WeakPolarHBondContact O-CB 3.46Å; F210-A214 PolarHBondContact O-N 2.67Å; V211-A214 PolarHBondContact O-N 2.76Å; A214-R217 PolarHBondContact O-N 2.96Å; A214-G218 PolarHBondContact O-N 3.5Å
215L84Confident81.9Confident98 Ų98124.8 Ų124.851%0.51359%0.588SS.*Hα-helixtrans-63.3-40.9175.3-70.9174.3000111.7V211 R212 G218 R219V211-L215 HydrophobicContact CG1-CD1 3.93Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.83Å; R212-L215 PolarHBondContact O-N 2.84Å; L215-G218 PolarHBondContact O-N 3.23Å; L215-R219 WeakPolarHBondContact O-CG 3.41Å; L215-R219 PolarHBondContact O-N 3.32Å
216K87.3Confident83.5Confident157 Ų157123.7 Ų123.768%0.68358%0.575SS**Hα-helixtrans-60.2-49.6174.8-168.7176.9-179.3-1790111.1R212 R213 G218 R219 E220R212-K216 WeakPolarHBondContact O-CB 3.38Å; R212-K216 PolarHBondContact O-N 3.49Å; R213-K216 PolarHBondContact O-N 2.71Å; K216-G218 VanDerWaalsContact C-N 3.32Å; K216-G218 PolarHBondContact O-N 3.48Å; K216-R219 PolarHBondContact O-N 2.81Å; K216-E220 WeakPolarHBondContact O-CB 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å
217R85.1Confident84.8Confident178 Ų178122 Ų12267%0.67256%0.556SS**Hα-helixtrans-60.8-38.5175.6-73178.3178.1-178.7-1.4112.5R213 A214 E220 K221R213-R217 WeakPolarHBondContact O-CG 3.21Å; R213-R217 PolarHBondContact O-N 2.8Å; A214-R217 PolarHBondContact O-N 2.96Å; R217-E220 PolarHBondContact O-N 3.25Å; R217-K221 WeakPolarHBondContact O-CG 3.5Å; R217-K221 PolarHBondContact O-N 2.92Å
218G86.8Confident85.9Confident40 Ų40127.6 Ų127.641%0.41257%0.571SS.*Hα-helixtrans-65-45.217700000112.8A214 L215 K216 E220 K221 R222A214-G218 PolarHBondContact O-N 3.5Å; L215-G218 PolarHBondContact O-N 3.23Å; K216-G218 VanDerWaalsContact C-N 3.32Å; K216-G218 PolarHBondContact O-N 3.48Å; G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; G218-K221 PolarHBondContact O-N 2.9Å; G218-R222 PolarHBondContact O-N 2.86Å
219R89Confident86.4Confident202 Ų202129.2 Ų129.276%0.76257%0.572SS**Hα-helixtrans-61.9-42.5175.5-73.5180-179-173.40.2111.7L215 K216 R222 R223L215-R219 WeakPolarHBondContact O-CG 3.41Å; L215-R219 PolarHBondContact O-N 3.32Å; K216-R219 PolarHBondContact O-N 2.81Å; R219-R222 PolarHBondContact O-N 2.95Å; R219-R223 PolarHBondContact O-N 3.03Å
220E89.8Confident86.9Confident112 Ų112132.1 Ų132.152%0.52358%0.575SS.*Hα-helixtrans-65.5-45.1178.5-168.1169-162.300112.3K216 R217 G218 R222 R223 L224K216-E220 WeakPolarHBondContact O-CB 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å; R217-E220 PolarHBondContact O-N 3.25Å; G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; E220-R222 VanDerWaalsContact C-N 3.32Å; E220-R222 PolarHBondContact O-N 2.93Å; E220-R223 PolarHBondContact O-N 2.82Å; E220-L224 HydrophobicContact CG-CD1 4.31Å; E220-L224 PolarHBondContact O-N 2.91Å
221K91.3Very high87.7Confident163 Ų163125.9 Ų125.971%0.70956%0.556SS**Hα-helixtrans-59.3-40.7172.5-79.3-172.3177.1-173.30112.4R217 G218 R225R217-K221 WeakPolarHBondContact O-CG 3.5Å; R217-K221 PolarHBondContact O-N 2.92Å; G218-K221 PolarHBondContact O-N 2.9Å; K221-R225 WeakPolarHBondContact O-CB 3.46Å; K221-R225 PolarHBondContact O-N 2.85Å
222R90.4Very high88.1Confident190 Ų190131.4 Ų131.472%0.71757%0.57SS**Hα-helixtrans-64.5-44.4177-173.1177-179.2176.6-0111.3G218 R219 E220 R225 L226G218-R222 PolarHBondContact O-N 2.86Å; R219-R222 PolarHBondContact O-N 2.95Å; E220-R222 VanDerWaalsContact C-N 3.32Å; E220-R222 PolarHBondContact O-N 2.93Å; R222-R225 PolarHBondContact O-N 2.77Å; R222-L226 HydrophobicContact CG-CD1 4.31Å; R222-L226 WeakPolarHBondContact O-CG 3.43Å; R222-L226 PolarHBondContact O-N 2.91Å
223R91.5Very high88.5Confident166 Ų166129.9 Ų129.963%0.62657%0.57SS**Hα-helixtrans-58.7-51.2175.9179.8-175.4154.3-173.6-8.4111.4R219 E220 R225 L226 E227R219-R223 PolarHBondContact O-N 3.03Å; E220-R223 PolarHBondContact O-N 2.82Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.01Å; R223-L226 PolarHBondContact O-N 2.87Å; R223-L226 VanDerWaalsContact O-N 3.16Å; R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 IonicContact NE-OE1 3.36Å; R223-E227 PolarHBondContact NE-OE1 2.78Å; R223-E227 IonicContact NH2-OE1 3.56Å; R223-E227 PolarHBondContact NH2-OE1 2.91Å; R223-E227 PolarHBondContact O-N 2.89Å
224L92Very high88.6Confident79 Ų79127.9 Ų127.941%0.41457%0.571SS.*Hα-helixtrans-58.3-39.5177.7-83.1156.1000112.6E220 E227 R228E220-L224 HydrophobicContact CG-CD1 4.31Å; E220-L224 PolarHBondContact O-N 2.91Å; L224-E227 PolarHBondContact O-N 2.81Å; L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 2.91Å
225R91.6Very high88.5Confident181 Ų181134.3 Ų134.368%0.68358%0.582SS**Hα-helixtrans-64.9-42.5177.1-171.7177178.9174.30.2111.8K221 R222 R223 R228 Q229K221-R225 WeakPolarHBondContact O-CB 3.46Å; K221-R225 PolarHBondContact O-N 2.85Å; R222-R225 PolarHBondContact O-N 2.77Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.01Å; R225-R228 PolarHBondContact O-N 2.73Å; R225-Q229 PolarHBondContact O-N 3.35Å
226L92.6Very high88.3Confident81 Ų81139 Ų13942%0.42459%0.593SS.*Hα-helixtrans-67-41.8177.2-71.1170.9000111.8R222 R223 Q229 R230R222-L226 HydrophobicContact CG-CD1 4.31Å; R222-L226 WeakPolarHBondContact O-CG 3.43Å; R222-L226 PolarHBondContact O-N 2.91Å; R223-L226 PolarHBondContact O-N 2.87Å; R223-L226 VanDerWaalsContact O-N 3.16Å; L226-Q229 PolarHBondContact O-N 2.82Å; L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.3Å
227E91Very high87.8Confident88 Ų88138.5 Ų138.541%0.41159%0.591SS.*Hα-helixtrans-60.4-44.5173.9-78.8173.7-174.200111.4R223 L224 Q229 R230 G231R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 IonicContact NE-OE1 3.36Å; R223-E227 PolarHBondContact NE-OE1 2.78Å; R223-E227 IonicContact NH2-OE1 3.56Å; R223-E227 PolarHBondContact NH2-OE1 2.91Å; R223-E227 PolarHBondContact O-N 2.89Å; L224-E227 PolarHBondContact O-N 2.81Å; E227-Q229 PolarHBondContact O-N 3.36Å; E227-R230 PolarHBondContact O-N 2.81Å; E227-G231 PolarHBondContact O-N 3.12Å
228R91.2Very high87.3Confident178 Ų178134.3 Ų134.367%0.67259%0.585SS**Hα-helixtrans-62.2-40.6174.7-73.9177.9-176.7-174.90.7112.6L224 R225 G231 R232L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 2.91Å; R225-R228 PolarHBondContact O-N 2.73Å; R228-G231 PolarHBondContact O-N 2.88Å; R228-R232 WeakPolarHBondContact O-CG 3.26Å; R228-R232 PolarHBondContact O-N 2.89Å
229Q89.7Confident86.5Confident97 Ų97137.6 Ų137.645%0.45359%0.591SS.*Hα-helixtrans-64.1-44.7175.3-84.1-177.2-28.200111.9R225 L226 E227 G231 R232 M233R225-Q229 PolarHBondContact O-N 3.35Å; L226-Q229 PolarHBondContact O-N 2.82Å; E227-Q229 PolarHBondContact O-N 3.36Å; Q229-G231 PolarHBondContact O-N 2.9Å; Q229-R232 PolarHBondContact O-N 3.36Å; Q229-M233 WeakPolarHBondContact O-CG 3.22Å; Q229-M233 PolarHBondContact O-N 3.12Å
230R88.9Confident85.6Confident176 Ų176130.8 Ų130.866%0.66457%0.574SS**Hα-helixtrans-60-44.9175.1-73.6178.8177.1-176.1-1.8111.4L226 E227 R232 M233 L234L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.3Å; E227-R230 PolarHBondContact O-N 2.81Å; R230-R232 PolarHBondContact O-N 2.89Å; R230-M233 PolarHBondContact O-N 2.88Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.39Å
231G89.4Confident84.6Confident30 Ų30133 Ų13331%0.30958%0.582SS.*Hα-helixtrans-60-42.3175.700000113.2E227 R228 Q229 L234 R235E227-G231 PolarHBondContact O-N 3.12Å; R228-G231 PolarHBondContact O-N 2.88Å; Q229-G231 PolarHBondContact O-N 2.9Å; G231-L234 PolarHBondContact O-N 2.95Å; G231-R235 WeakPolarHBondContact O-CG 3.45Å; G231-R235 PolarHBondContact O-N 2.82Å
232R88.4Confident83.2Confident180 Ų180128.2 Ų128.268%0.67957%0.566SS**Hα-helixtrans-64.6-42.1174.9-73.4177.5-178.2-172-0.9112.4R228 Q229 R230 R235 R236R228-R232 WeakPolarHBondContact O-CG 3.26Å; R228-R232 PolarHBondContact O-N 2.89Å; Q229-R232 PolarHBondContact O-N 3.36Å; R230-R232 PolarHBondContact O-N 2.89Å; R232-R235 PolarHBondContact O-N 3.02Å; R232-R236 WeakPolarHBondContact O-CG 2.96Å; R232-R236 PolarHBondContact O-N 3.41Å
233M85.5Confident81.7Confident116 Ų116125.3 Ų125.357%0.57156%0.561SS**Hα-helixtrans-64.3-41.4176.3-74.4-160.5-67.100112Q229 R230 R236 K237Q229-M233 WeakPolarHBondContact O-CG 3.22Å; Q229-M233 PolarHBondContact O-N 3.12Å; R230-M233 PolarHBondContact O-N 2.88Å; M233-R236 PolarHBondContact O-N 3.49Å; M233-K237 PolarHBondContact O-N 3.48Å
234L83.9Confident80.2Confident113 Ų113124.6 Ų124.659%0.59256%0.562SS**Hα-helixtrans-62.3-46.1175.7-75.8165.3000111.4R230 G231 R236 K237 V238R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.39Å; G231-L234 PolarHBondContact O-N 2.95Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.9Å; L234-K237 PolarHBondContact O-N 3.19Å; L234-V238 WeakPolarHBondContact O-CG2 3.26Å; L234-V238 PolarHBondContact O-N 3.36Å
235R79.2Confident78.6Confident195 Ų195125.2 Ų125.274%0.73657%0.569SS**Hα-helixtrans-59.8-42.3175.6-72.8-177.8-176.7-168.30112.5G231 R232 V238 M239G231-R235 WeakPolarHBondContact O-CG 3.45Å; G231-R235 PolarHBondContact O-N 2.82Å; R232-R235 PolarHBondContact O-N 3.02Å; R235-V238 PolarHBondContact O-N 3.35Å; R235-M239 VanDerWaalsContact O-CG 3.23Å; R235-M239 WeakPolarHBondContact O-CG 3.49Å; R235-M239 PolarHBondContact O-N 3.42Å
236R79.2Confident76.9Confident198 Ų198121.7 Ų121.775%0.74756%0.564SS**Hα-helixtrans-62.9-42.4174.8-75.1-178.6177.7-177.1-2.6112.1R232 M233 L234 M239 S240R232-R236 WeakPolarHBondContact O-CG 2.96Å; R232-R236 PolarHBondContact O-N 3.41Å; M233-R236 PolarHBondContact O-N 3.49Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.9Å; R236-M239 PolarHBondContact O-N 3.46Å; R236-S240 WeakPolarHBondContact O-CB 3.23Å; R236-S240 PolarHBondContact O-N 3.08Å; R236-S240 PolarHBondContact O-OG 3.47Å
237K77.4Confident75.1Confident146 Ų146121.3 Ų121.364%0.63557%0.568SS**Hα-helixtrans-62.1-43.5175.4-79.2-172.7176.9-174.20111.6M233 L234 S240 K241M233-K237 PolarHBondContact O-N 3.48Å; L234-K237 PolarHBondContact O-N 3.19Å; K237-S240 PolarHBondContact O-N 2.66Å; K237-S240 PolarHBondContact O-OG 3.05Å; K237-K241 PolarHBondContact O-N 3.42Å; K237-K241 VanDerWaalsContact O-N 3.13Å
238V74.8Confident73.4Confident90 Ų90127.8 Ų127.855%0.54559%0.589SS.*Hα-helixtrans-63.2-49.3177.1174.90000110.9L234 R235 S240 K241 V242L234-V238 WeakPolarHBondContact O-CG2 3.26Å; L234-V238 PolarHBondContact O-N 3.36Å; R235-V238 PolarHBondContact O-N 3.35Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 3.24Å; V238-K241 WeakPolarHBondContact O-CB 3.09Å; V238-K241 PolarHBondContact O-N 3.17Å; V238-V242 WeakPolarHBondContact O-CG2 3.45Å; V238-V242 PolarHBondContact O-N 3.07Å; V238-V242 VanDerWaalsContact O-N 3.07Å
239M69.9Low71.6Confident108 Ų108128.4 Ų128.453%0.53260%0.596SS.*Hα-helixtrans-60.9-37.5177.9-65.5-96.579.900112.3R235 R236 K241 V242 H243R235-M239 VanDerWaalsContact O-CG 3.23Å; R235-M239 WeakPolarHBondContact O-CG 3.49Å; R235-M239 PolarHBondContact O-N 3.42Å; R236-M239 PolarHBondContact O-N 3.46Å; M239-K241 VanDerWaalsContact C-N 3.28Å; M239-K241 PolarHBondContact O-N 3.12Å; M239-V242 PolarHBondContact O-N 2.87Å; M239-H243 PolarHBondContact O-CD2 3.07Å; M239-H243 PolarHBondContact O-N 3.03Å
240S70Confident70Confident59 Ų59126.6 Ų126.641%0.41360%0.604SS.*Hα-helixtrans-66.4-29175.775.20000113.3R236 K237 V238 K244R236-S240 WeakPolarHBondContact O-CB 3.23Å; R236-S240 PolarHBondContact O-N 3.08Å; R236-S240 PolarHBondContact O-OG 3.47Å; K237-S240 PolarHBondContact O-N 2.66Å; K237-S240 PolarHBondContact O-OG 3.05Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 3.11Å
241K68Low68.4Low158 Ų158129.3 Ų129.369%0.68761%0.614SS**Hα-helixtrans-74.3-40173.9-74.7-171.6176.4-170.70111.3K237 V238 M239 K244 T245K237-K241 PolarHBondContact O-N 3.42Å; K237-K241 VanDerWaalsContact O-N 3.13Å; V238-K241 WeakPolarHBondContact O-CB 3.09Å; V238-K241 PolarHBondContact O-N 3.17Å; M239-K241 VanDerWaalsContact C-N 3.28Å; M239-K241 PolarHBondContact O-N 3.12Å; K241-K244 PolarHBondContact O-N 3.18Å; K241-T245 PolarHBondContact O-N 2.98Å; K241-T245 PolarHBondContact O-OG1 2.94Å
242V62.7Low66.9Low63 Ų63137.9 Ų137.938%0.38264%0.643SS.*Hα-helixtrans-62.8-43.8176.9178.60000111.5V238 M239 K244 T245 D246V238-V242 WeakPolarHBondContact O-CG2 3.45Å; V238-V242 PolarHBondContact O-N 3.07Å; V238-V242 VanDerWaalsContact O-N 3.07Å; M239-V242 PolarHBondContact O-N 2.87Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.01Å; V242-T245 PolarHBondContact O-N 3.28Å; V242-T245 PolarHBondContact O-OG1 3.48Å; V242-D246 PolarHBondContact O-N 3.03Å
243H59.6Low65.5Low130 Ų130134 Ų13460%0.60264%0.643SS**Hα-helixtrans-69-26.7176.6-78.2-59.6000114.2M239 T245 S247M239-H243 PolarHBondContact O-CD2 3.07Å; M239-H243 PolarHBondContact O-N 3.03Å; H243-T245 VanDerWaalsContact C-N 3.34Å; H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 3.27Å; H243-S247 VanDerWaalsContact O-N 3.12Å; H243-S247 PolarHBondContact O-OG 3.12Å
244K59.6Low64.1Low151 Ų151138.4 Ų138.466%0.65766%0.659SS**Hα-helixtrans-72.5-27.4173.4-79.8-176.7178.1-173.40112.7S240 K241 V242 S247S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 3.11Å; K241-K244 PolarHBondContact O-N 3.18Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.01Å; K244-S247 PolarHBondContact O-OG 3.49Å
245T58Low62.6Low91 Ų91145.4 Ų145.456%0.55868%0.678SS**Hα-helixtrans-78.1-34.6175.341.60000112.4K241 V242 H243K241-T245 PolarHBondContact O-N 2.98Å; K241-T245 PolarHBondContact O-OG1 2.94Å; V242-T245 PolarHBondContact O-N 3.28Å; V242-T245 PolarHBondContact O-OG1 3.48Å; H243-T245 VanDerWaalsContact C-N 3.34Å
246D55.5Low61.2Low107 Ų107139.6 Ų139.657%0.57268%0.678SS**Hα-helixtrans-75.2-39.2176.5-79.6-28.7000113.3V242 R248 K249V242-D246 PolarHBondContact O-N 3.03Å; D246-R248 PolarHBondContact O-N 3.14Å; D246-K249 PolarHBondContact O-N 3.4Å; D246-K249 VanDerWaalsContact O-N 3.14Å
247S55Low59.3Low73 Ų73142.8 Ų142.851%0.5170%0.701SS.*Hα-helixtrans-67.5-18.6179.5510000114.2H243 K244H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 3.27Å; H243-S247 VanDerWaalsContact O-N 3.12Å; H243-S247 PolarHBondContact O-OG 3.12Å; K244-S247 PolarHBondContact O-OG 3.49Å
248R55Low58.4Low225 Ų225142.7 Ų142.785%0.84971%0.705SS**THydrogen-bonded Turntrans-80.3-17.4174.2-88.4-174.8173.5-176-2.2114.1D246D246-R248 PolarHBondContact O-N 3.14Å
249K54.7Low57.5Low190 Ų190145.4 Ų145.483%0.82671%0.713SS**THydrogen-bonded Turntrans-88.8-18.4175.2-75.9-172.5175.5-177.20113.8D246D246-K249 PolarHBondContact O-N 3.4Å; D246-K249 VanDerWaalsContact O-N 3.14Å
250G55.3Low56.9Low59 Ų59147.5 Ų147.561%0.60872%0.723SS**SBendtrans-92.2-1.7-174.800000117.8
251R56.3Low56.1Low233 Ų233152.7 Ų152.788%0.87974%0.742SS**SBendtrans-104.619.9-173.3-86.4-168.8175.5-166.7-0.9115.9
252K57.1Low55.3Low210 Ų210152.4 Ų152.491%0.91375%0.745SS**SBendtrans-107.18.1178.3-84.1-166175.8-172.90116.1
253S58.3Low54.8Low99 Ų99158.3 Ų158.369%0.69277%0.769SS**SBendtrans-121.7142169.375.20000110.2
254K57.7Low54.5Low208 Ų208160.4 Ų160.490%0.90478%0.781SS**  trans96.759.6-171.3-56.2-173.3176.3-173.20116.2
255R50.7Low54.1Low260 Ų260161.1 Ų161.198%0.98179%0.791SS**  trans-141.3105.2139.4-91.6-171.5175.5-176.4-2.9106
256G49.5Very low53.8Low73 Ų73166.9 Ų166.975%0.75381%0.81SS**  trans168.660.3-172.700000111
257H40.6Very low53.6Low266 Ų266172.4 Ų172.4100%1.23183%0.832SS**  trans172.50142.3-105.9-64.8000109

Retrieved 257 of 257 residues in 372.7 ms (Link to these results)