G4LVL0_SCHMA Loading...

Ubiquitin-like domain-containing protein

AlphaFold DB , UniProt , Accession G4LVL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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
1M43.3Very low45.2Very low238 Ų238143.7 Ų143.7100%1.17278%0.779SS**  0121.20-79.7177.4175.500107.4
2K43.3Very low45.1Very low181 Ų181140.7 Ų140.779%0.78778%0.776SS**  trans57.9130.8151.9-67.1-173.4171.8-166.70118.7
3E45.4Very low44.9Very low144 Ų144141.7 Ų141.767%0.67378%0.778SS**  cis-161.41307.1-97.4163126.100107.2
4I47Very low45Very low139 Ų139144.2 Ų144.271%0.71379%0.788SS**  74.8103.5105.7-53.9174.7000113.3
5N42.2Very low44.9Very low156 Ų156140.2 Ų140.283%0.83477%0.774SS**  57.1145.996.8-905.7000114.3
6A46.4Very low44.9Very low81 Ų81142.6 Ų142.667%0.66978%0.778SS**  cis175140.7-5.800000105.9
7H51.6Low44.8Very low177 Ų177142.3 Ų142.382%0.81978%0.776SS**  trans-179.7109.9143.8-13125.1000108.8
8V45.5Very low44.4Very low121 Ų121143.6 Ų143.673%0.73377%0.773SS**  76.7131.575.2174.70000113.8
9G42.5Very low44.6Very low57 Ų57143.3 Ų143.359%0.58877%0.77SS**  trans12184.2160.800000112.3
10E45.5Very low44.3Very low186 Ų186141.3 Ų141.387%0.86977%0.765SS**  60.9135.897.5-85.6176.510600113.5
11S44.9Very low43.7Very low101 Ų101143 Ų14371%0.70677%0.768SS**  cis176.3167.2-10-1060000104.7
12S43.9Very low43.5Very low107 Ų107137.7 Ų137.775%0.74875%0.749SS**  trans80.798174.568.30000116
13L42Very low43Very low154 Ų154136.3 Ų136.381%0.80675%0.75SS**  61.2109.273.2-64.5168.1000111.9
14I46.9Very low42.6Very low177 Ų177136.2 Ų136.291%0.90876%0.755SS**  -162141.8107.8-72131.3000107.9
15S43.6Very low42.2Very low84 Ų84137.4 Ų137.459%0.58776%0.76SS**  trans-89.8174.3-163-37.70000115.2
16E45.3Very low42.4Very low178 Ų178137.3 Ų137.383%0.83276%0.758SS**  trans80.6129.9155.6-62.6162.3129.900115.8
17D41.9Very low42.3Very low138 Ų138138 Ų13874%0.73876%0.756SS**  cis-164.3124.113.2-137-1.5000106.1
18K37.8Very low41.8Very low166 Ų166138.7 Ų138.772%0.72276%0.759SS**  89.2104.1105.9-163.3163.6-158.1-82.50117.9
19L47.9Very low42.2Very low138 Ų138136.5 Ų136.572%0.72374%0.741SS**  trans83.1150.7137-82167.3000120.1
20P38.5Very low43.2Very low103 Ų103139.8 Ų139.867%0.66975%0.745SS**  -129.6178.3-99.842.9-27.3000114.3
21E33.6Very low44.5Very low176 Ų176135.2 Ų135.282%0.82273%0.731SS**  trans-24134.2171.2-53.5-170.715800118
22T37.7Very low45.9Very low128 Ų128131.7 Ų131.779%0.78570%0.704SS**  trans-145.6104.7146-26.70000109.3N24T22-N24 PolarHBondContact O-N 3.38Å
23N32.7Very low47.6Very low151 Ų151127.9 Ų127.981%0.80768%0.678SS**  trans-49.8119.9162-80.4-45.6000109.5
24N38.5Very low49.5Very low143 Ų143120.6 Ų120.677%0.76564%0.639SS**  trans-143.6122.2157.1-97.1-29.4000110.9T22 I26T22-N24 PolarHBondContact O-N 3.38Å; N24-I26 PolarHBondContact O-N 3.3Å
25I37.5Very low51.3Low163 Ų163113.3 Ų113.384%0.83660%0.603SS**  trans-47.8115.6178.4-63.2158.5000109.7P27I25-P27 VanDerWaalsContact O-CD 3.32Å; I25-P27 WeakPolarHBondContact O-CD 3.45Å
26I46.8Very low53.2Low155 Ų155109.3 Ų109.380%0.79558%0.575SS**  trans-76.7115.3174.6-56.4169.7000107.8N24 Q28N24-I26 PolarHBondContact O-N 3.3Å; I26-Q28 PolarHBondContact O-N 3.44Å
27P43.6Very low55Low95 Ų95103.6 Ų103.662%0.61755%0.55SS**  trans-67.4132.3169-9.526.3000108.3I25 E29I25-P27 VanDerWaalsContact O-CD 3.32Å; I25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-E29 PolarHBondContact O-N 3.23Å
28Q42.1Very low56.9Low191 Ų19197.8 Ų97.889%0.89352%0.518SS*.  trans-5796173.5-84175.8-37.600110.4I26 L30I26-Q28 PolarHBondContact O-N 3.44Å; Q28-L30 PolarHBondContact O-N 2.71Å
29E53Low58.7Low75 Ų7595.7 Ų95.735%0.3552%0.515SS..PPolyproline II helixtrans-76.2117.1173.5-61.5-159.2160.600109.6P27 Q48 S50P27-E29 PolarHBondContact O-N 3.23Å; E29-Q48 PolarHBondContact OE2-NE2 2.91Å; E29-S50 WeakPolarHBondContact OE1-CB 3.49Å; E29-S50 PolarHBondContact OE1-OG 3.38Å; E29-S50 WeakPolarHBondContact OE2-CB 2.95Å; E29-S50 PolarHBondContact OE2-OG 3.02Å
30L63Low60Low127 Ų12798.9 Ų98.967%0.66552%0.518SS*.PPolyproline II helixtrans-71.8131.8177.8-80.5100.5000110.2Q28 I32Q28-L30 PolarHBondContact O-N 2.71Å; L30-I32 PolarHBondContact O-N 2.79Å
31P72.8Confident61.9Low90 Ų9097.8 Ų97.858%0.58451%0.509SS*.EExtended strand (participates in β ladder)trans-66.6130.6173.626.9-32.6000110.4V46P31-V46 HydrophobicContact CB-CG1 3.69Å
32I74.7Confident64.3Low27 Ų2796.5 Ų96.514%0.13850%0.501CS..EExtended strand (participates in β ladder)trans-102.9123.4178.3-59.6-176.2000108.1L30 L34 V46 F47 L85 L90L30-I32 PolarHBondContact O-N 2.79Å; I32-L34 HydrophobicContact CG2-CD2 3.61Å; I32-L34 HydrophobicContact CG2-CG 4.31Å; I32-V46 WeakPolarHBondContact O-CA 3.31Å; I32-F47 PolarHBondContact N-O 3.08Å; I32-F47 PolarHBondContact O-N 3.05Å; I32-L85 HydrophobicContact CD1-CB 4.31Å; I32-L90 HydrophobicContact CD1-CD1 3.86Å; I32-L90 HydrophobicContact CG2-CD1 3.52Å
33S79.2Confident66.4Low27 Ų2792 Ų9219%0.18947%0.471CS..EExtended strand (participates in β ladder)trans-92118.5176.8-48.20000110.4K93 V95S33-K93 CarbonylContact C-O 3.51Å; S33-K93 WeakPolarHBondContact CA-O 3.15Å; S33-K93 WeakPolarHBondContact CB-O 3.23Å; S33-K93 PolarHBondContact N-O 3.06Å; S33-V95 PolarHBondContact O-N 3.12Å; S33-V95 VanDerWaalsContact O-N 3.11Å
34L82.7Confident68.9Low0 Ų090 Ų900%046%0.456CS..EExtended strand (participates in β ladder)trans-108.1137.6179.2-56.1-173.9000109.8I32 H44 L45 F47 V56 L85 L90 V95 L97I32-L34 HydrophobicContact CG2-CD2 3.61Å; I32-L34 HydrophobicContact CG2-CG 4.31Å; L34-H44 WeakPolarHBondContact O-CA 3.03Å; L34-L45 PolarHBondContact N-O 3.31Å; L34-L45 PolarHBondContact O-N 3.41Å; L34-L45 VanDerWaalsContact O-O 3.04Å; L34-F47 HydrophobicContact CB-CD2 4.41Å; L34-F47 HydrophobicContact CD1-CD2 3.49Å; L34-F47 VanDerWaalsContact CD1-CD2 3.49Å; L34-F47 HydrophobicContact CD1-CE2 4.01Å; L34-F47 HydrophobicContact CD1-CG 4.47Å; L34-F47 HydrophobicContact CG-CD2 4.03Å; L34-V56 HydrophobicContact CD1-CG2 4.44Å; L34-L85 HydrophobicContact CD1-CD1 3.71Å; L34-L85 HydrophobicContact CD1-CD2 3.52Å; L34-L85 HydrophobicContact CD1-CG 4.28Å; L34-L85 HydrophobicContact CD2-CD2 4.39Å; L34-L90 HydrophobicContact CD2-CD1 4.34Å; L34-V95 CarbonylContact C-O 3.57Å; L34-V95 WeakPolarHBondContact CA-O 3.32Å; L34-V95 HydrophobicContact CD2-CB 3.7Å; L34-V95 HydrophobicContact CD2-CG1 4.31Å; L34-V95 HydrophobicContact CD2-CG2 4.13Å; L34-L97 HydrophobicContact CB-CD1 4.02Å; L34-L97 HydrophobicContact CD1-CD1 3.97Å; L34-L97 HydrophobicContact CD2-CD1 3.69Å; L34-L97 HydrophobicContact CG-CD1 4.11Å
35T83.7Confident71Confident24 Ų2484.7 Ų84.715%0.14743%0.427CS..EExtended strand (participates in β ladder)trans-112.6107170.3-58.80000108.2K42 H43 H44 V95 K96 L97T35-K42 HydrophobicContact CG2-CB 4.03Å; T35-K42 HydrophobicContact CG2-CD 4.39Å; T35-K42 HydrophobicContact CG2-CG 4.28Å; T35-H43 CarbonylContact C-O 3.52Å; T35-H43 WeakPolarHBondContact CA-O 3.21Å; T35-H44 PolarHBondContact OG1-ND1 3.43Å; T35-V95 PolarHBondContact N-O 2.79Å; T35-K96 CarbonylContact O-C 3.54Å; T35-K96 VanDerWaalsContact O-CA 3.28Å; T35-K96 WeakPolarHBondContact O-CA 3.4Å; T35-L97 PolarHBondContact O-N 3.28Å
36V84.6Confident73.2Confident0 Ų080.8 Ų80.80%041%0.411CS..EExtended strand (participates in β ladder)trans-92.9120.8178.5-177.40000109.3H43 L60 L73 L97 L99V36-H43 PolarHBondContact N-O 3.4Å; V36-H43 PolarHBondContact O-N 2.95Å; V36-L60 HydrophobicContact CB-CD1 4.45Å; V36-L60 HydrophobicContact CB-CD2 3.79Å; V36-L60 HydrophobicContact CG1-CD1 3.88Å; V36-L60 HydrophobicContact CG1-CD2 3.71Å; V36-L60 HydrophobicContact CG1-CG 4.47Å; V36-L60 HydrophobicContact CG2-CD1 4.03Å; V36-L60 HydrophobicContact CG2-CD2 3.87Å; V36-L60 HydrophobicContact CG2-CG 4.45Å; V36-L73 HydrophobicContact CG1-CD2 4.27Å; V36-L97 CarbonylContact C-O 3.55Å; V36-L97 WeakPolarHBondContact CA-O 3.4Å; V36-L97 HydrophobicContact CG2-CB 4.27Å; V36-L99 HydrophobicContact CG1-CB 3.7Å
37L82.8Confident74.9Confident59 Ų5974.6 Ų74.631%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-94115.4175.3-175.572.3000109.4V41 K42 L97 M98 L99L37-V41 WeakPolarHBondContact CA-O 3.09Å; L37-K42 HydrophobicContact CD1-CG 3.72Å; L37-L97 PolarHBondContact N-O 3.1Å; L37-M98 HydrophobicContact CB-CG 4.32Å; L37-M98 HydrophobicContact CD2-CG 4.37Å; L37-L99 PolarHBondContact O-N 2.89Å
38H81.7Confident76.7Confident15 Ų1575 Ų757%0.06937%0.372CS..EExtended strand (participates in β ladder)trans-129.6128.8173.6-178.1-110.4000109.6R40 V41 T64 V66 L99 G101H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.02Å; H38-R40 VanDerWaalsContact O-N 3.1Å; H38-V41 PolarHBondContact N-O 3.37Å; H38-V41 WeakPolarHBondContact O-CA 3.06Å; H38-V41 WeakPolarHBondContact O-CB 3.48Å; H38-V41 PolarHBondContact O-N 3.13Å; H38-V41 VanDerWaalsContact O-O 3.09Å; H38-T64 HydrophobicContact CB-CG2 3.92Å; H38-V66 WeakPolarHBondContact NE2-CG2 3.43Å; H38-L99 HydrophobicContact CB-CB 4.19Å; H38-L99 HydrophobicContact CB-CD2 4.24Å; H38-G101 PolarHBondContact NE2-O 2.95Å; H38-G101 VanDerWaalsContact NE2-O 3.12Å
39N76.4Confident78.4Confident122 Ų12267.7 Ų67.765%0.65234%0.342SS*.THydrogen-bonded Turntrans45.345.7178-162.925.1000114.8V41N39-V41 PolarHBondContact O-N 3.26Å; N39-V41 VanDerWaalsContact O-N 3.12Å
40R74.8Confident79.7Confident206 Ų20666.9 Ų66.978%0.77734%0.344SS*.THydrogen-bonded Turntrans66.3-2-174.9-53.7-178.1173.1-169.7-3.6116H38 D211H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.02Å; H38-R40 VanDerWaalsContact O-N 3.1Å; R40-D211 IonicContact NH2-OD2 3.15Å; R40-D211 PolarHBondContact NH2-OD2 2.82Å; R40-D211 VanDerWaalsContact NH2-OD2 3.15Å
41V78.3Confident80.6Confident79 Ų7961.5 Ų61.548%0.47932%0.317SS..EExtended strand (participates in β ladder)trans-90.4135.6173.1-175.30000109.7L37 H38 N39L37-V41 WeakPolarHBondContact CA-O 3.09Å; H38-V41 PolarHBondContact N-O 3.37Å; H38-V41 WeakPolarHBondContact O-CA 3.06Å; H38-V41 WeakPolarHBondContact O-CB 3.48Å; H38-V41 PolarHBondContact O-N 3.13Å; H38-V41 VanDerWaalsContact O-O 3.09Å; N39-V41 PolarHBondContact O-N 3.26Å; N39-V41 VanDerWaalsContact O-N 3.12Å
42K83.8Confident81.3Confident150 Ų15059.1 Ų59.165%0.65230%0.301SS*.EExtended strand (participates in β ladder)trans-100.8120175.9-66.2175.8-175.1171.90109T35 L37T35-K42 HydrophobicContact CG2-CB 4.03Å; T35-K42 HydrophobicContact CG2-CD 4.39Å; T35-K42 HydrophobicContact CG2-CG 4.28Å; L37-K42 HydrophobicContact CD1-CG 3.72Å
43H82.6Confident81.9Confident34 Ų3457.9 Ų57.916%0.15729%0.294CS..EExtended strand (participates in β ladder)trans-102.6117.9172.8-59.6-83.2000108.5T35 V36T35-H43 CarbonylContact C-O 3.52Å; T35-H43 WeakPolarHBondContact CA-O 3.21Å; V36-H43 PolarHBondContact N-O 3.4Å; V36-H43 PolarHBondContact O-N 2.95Å
44H84Confident82.2Confident107 Ų10758.3 Ų58.350%0.49530%0.3SS..EExtended strand (participates in β ladder)trans-93.4124.2175.6-171.281.6000109.1L34 T35 D94L34-H44 WeakPolarHBondContact O-CA 3.03Å; T35-H44 PolarHBondContact OG1-ND1 3.43Å; H44-D94 IonicContact CE1-OD1 3.99Å
45L83.9Confident82.4Confident32 Ų3262.4 Ų62.417%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-134.8145.1-176.8-64.4170.9000109.3L34 F47 L60 L63L34-L45 PolarHBondContact N-O 3.31Å; L34-L45 PolarHBondContact O-N 3.41Å; L34-L45 VanDerWaalsContact O-O 3.04Å; L45-F47 HydrophobicContact CB-CD2 4.04Å; L45-F47 HydrophobicContact CB-CE2 3.37Å; L45-F47 HydrophobicContact CB-CZ 3.91Å; L45-F47 HydrophobicContact CD1-CE2 3.84Å; L45-F47 HydrophobicContact CD1-CZ 3.86Å; L45-F47 HydrophobicContact CG-CE2 4.21Å; L45-F47 HydrophobicContact CG-CZ 4.41Å; L45-L60 HydrophobicContact CD1-CD2 3.52Å; L45-L60 HydrophobicContact CD1-CG 4.03Å; L45-L63 HydrophobicContact CD1-CD1 3.96Å; L45-L63 HydrophobicContact CD2-CD1 3.59Å; L45-L63 HydrophobicContact CG-CD1 4.23Å
46V82Confident82.6Confident82 Ų8261.2 Ų61.250%0.49731%0.312SS..EExtended strand (participates in β ladder)trans-117.3124.4178.4-176.30000107.6P31 I32P31-V46 HydrophobicContact CB-CG1 3.69Å; I32-V46 WeakPolarHBondContact O-CA 3.31Å
47F83.9Confident82.8Confident25 Ų2562 Ų6211%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-126.6167.2-178.8-66-75.6000110.5I32 L34 L45 T51 V56 L85I32-F47 PolarHBondContact N-O 3.08Å; I32-F47 PolarHBondContact O-N 3.05Å; L34-F47 HydrophobicContact CB-CD2 4.41Å; L34-F47 HydrophobicContact CD1-CD2 3.49Å; L34-F47 VanDerWaalsContact CD1-CD2 3.49Å; L34-F47 HydrophobicContact CD1-CE2 4.01Å; L34-F47 HydrophobicContact CD1-CG 4.47Å; L34-F47 HydrophobicContact CG-CD2 4.03Å; L45-F47 HydrophobicContact CB-CD2 4.04Å; L45-F47 HydrophobicContact CB-CE2 3.37Å; L45-F47 HydrophobicContact CB-CZ 3.91Å; L45-F47 HydrophobicContact CD1-CE2 3.84Å; L45-F47 HydrophobicContact CD1-CZ 3.86Å; L45-F47 HydrophobicContact CG-CE2 4.21Å; L45-F47 HydrophobicContact CG-CZ 4.41Å; F47-T51 HydrophobicContact CB-CG2 4.3Å; F47-T51 HydrophobicContact CD1-CG2 3.88Å; F47-T51 HydrophobicContact CG-CG2 4.34Å; F47-V56 HydrophobicContact CD1-CG2 4.36Å; F47-V56 HydrophobicContact CD2-CG2 4.12Å; F47-V56 HydrophobicContact CE1-CG2 4.34Å; F47-V56 HydrophobicContact CE2-CB 4.41Å; F47-V56 HydrophobicContact CE2-CG1 3.91Å; F47-V56 HydrophobicContact CE2-CG2 4.05Å; F47-V56 HydrophobicContact CG-CG2 4.24Å; F47-V56 HydrophobicContact CZ-CB 4.31Å; F47-V56 HydrophobicContact CZ-CG1 4.11Å; F47-V56 HydrophobicContact CZ-CG2 4.17Å; F47-L85 HydrophobicContact CB-CD1 3.37Å; F47-L85 HydrophobicContact CD2-CD1 4.26Å; F47-L85 HydrophobicContact CG-CD1 4.02Å
48Q81.3Confident83Confident104 Ų10467.3 Ų67.349%0.48633%0.331SS..EExtended strand (participates in β ladder)trans-87.9157.6173.4-60.1-168-95.900110.2E29 S50 T51E29-Q48 PolarHBondContact OE2-NE2 2.91Å; Q48-S50 PolarHBondContact O-N 2.73Å; Q48-T51 PolarHBondContact N-OG1 2.86Å; Q48-T51 WeakPolarHBondContact O-CB 3.43Å; Q48-T51 PolarHBondContact O-N 2.85Å; Q48-T51 VanDerWaalsContact O-N 3.1Å; Q48-T51 PolarHBondContact O-OG1 3.25Å
49S77.7Confident83.2Confident37 Ų3768.9 Ų68.926%0.25934%0.344SS..THydrogen-bonded Turntrans-60.7-26.4176.748.50000113.5T51 G86S49-T51 VanDerWaalsContact C-N 3.34Å; S49-G86 PolarHBondContact O-N 3.43Å
50S79.6Confident83.6Confident57 Ų5763.1 Ų63.140%0.39931%0.313SS..THydrogen-bonded Turntrans-77.2-1617753.60000114.1E29 Q48 T52E29-S50 WeakPolarHBondContact OE1-CB 3.49Å; E29-S50 PolarHBondContact OE1-OG 3.38Å; E29-S50 WeakPolarHBondContact OE2-CB 2.95Å; E29-S50 PolarHBondContact OE2-OG 3.02Å; Q48-S50 PolarHBondContact O-N 2.73Å; S50-T52 PolarHBondContact O-N 3.05Å
51T82.4Confident84.1Confident15 Ų1557.1 Ų57.19%0.09229%0.294CS..  trans-65.9133.6-175.7-54.50000110.9F47 Q48 S49 E55 V56 L85F47-T51 HydrophobicContact CB-CG2 4.3Å; F47-T51 HydrophobicContact CD1-CG2 3.88Å; F47-T51 HydrophobicContact CG-CG2 4.34Å; Q48-T51 PolarHBondContact N-OG1 2.86Å; Q48-T51 WeakPolarHBondContact O-CB 3.43Å; Q48-T51 PolarHBondContact O-N 2.85Å; Q48-T51 VanDerWaalsContact O-N 3.1Å; Q48-T51 PolarHBondContact O-OG1 3.25Å; S49-T51 VanDerWaalsContact C-N 3.34Å; T51-E55 VanDerWaalsContact CA-OE2 3.29Å; T51-E55 WeakPolarHBondContact CA-OE2 3.35Å; T51-E55 HydrophobicContact CG2-CB 3.6Å; T51-E55 VanDerWaalsContact CG2-OE2 3.23Å; T51-E55 WeakPolarHBondContact CG2-OE2 3.33Å; T51-V56 HydrophobicContact CG2-CG2 4.03Å; T51-L85 HydrophobicContact CG2-CD1 4.43Å; T51-L85 WeakPolarHBondContact O-CG 3.48Å; T51-L85 PolarHBondContact O-N 2.74Å
52T88.1Confident84.4Confident40 Ų4057.6 Ų57.625%0.24530%0.299CS..BIsolated β-bridgetrans-83.2158.2177.457.40000111.7S50 A54 E55 V56 T84S50-T52 PolarHBondContact O-N 3.05Å; T52-A54 PolarHBondContact O-N 3.22Å; T52-E55 PolarHBondContact N-OE2 3.37Å; T52-E55 PolarHBondContact O-N 3.04Å; T52-E55 VanDerWaalsContact O-N 3.08Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-OE2 2.99Å; T52-V56 PolarHBondContact O-N 3.49Å; T52-V56 VanDerWaalsContact O-N 3.12Å; T52-T84 HydrophobicContact CG2-CG2 4.22Å
53I86.5Confident84.3Confident0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-60.1-31.9174.3-68.8-57.2000112.2E55 V56 K57 L73 L79 S80 T83 L85 L88I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 2.99Å; I53-V56 PolarHBondContact O-N 3.38Å; I53-K57 HydrophobicContact CG2-CG 4.49Å; I53-K57 WeakPolarHBondContact O-CG 3.46Å; I53-K57 PolarHBondContact O-N 2.92Å; I53-L73 HydrophobicContact CG2-CD1 3.89Å; I53-L79 HydrophobicContact CD1-CD1 3.59Å; I53-L79 HydrophobicContact CG1-CB 4.24Å; I53-L79 HydrophobicContact CG1-CD1 4.14Å; I53-L79 HydrophobicContact CG2-CB 4.18Å; I53-S80 WeakPolarHBondContact CB-O 3.49Å; I53-T83 WeakPolarHBondContact CG1-O 3.24Å; I53-T83 PolarHBondContact N-O 3.11Å; I53-L85 HydrophobicContact CD1-CD2 3.9Å; I53-L88 HydrophobicContact CD1-CD1 4.1Å
54A86.2Confident84.2Confident36 Ų3652.7 Ų52.730%0.29828%0.28SS..Hα-helixtrans-57.6-43.6172.300000112.9T52 K57 R58 D81T52-A54 PolarHBondContact O-N 3.22Å; A54-K57 PolarHBondContact O-N 3.45Å; A54-R58 PolarHBondContact O-N 3.32Å; A54-D81 HydrophobicContact CB-CB 4.28Å; A54-D81 PolarHBondContact N-O 2.98Å
55E87Confident84Confident86 Ų8653.8 Ų53.840%0.40229%0.285SS..Hα-helixtrans-69.9-36.4177.8-70.4168.1160.700112.2T51 T52 I53 R58 S59T51-E55 VanDerWaalsContact CA-OE2 3.29Å; T51-E55 WeakPolarHBondContact CA-OE2 3.35Å; T51-E55 HydrophobicContact CG2-CB 3.6Å; T51-E55 VanDerWaalsContact CG2-OE2 3.23Å; T51-E55 WeakPolarHBondContact CG2-OE2 3.33Å; T52-E55 PolarHBondContact N-OE2 3.37Å; T52-E55 PolarHBondContact O-N 3.04Å; T52-E55 VanDerWaalsContact O-N 3.08Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-OE2 2.99Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 2.99Å; E55-R58 PolarHBondContact O-N 3.24Å; E55-S59 PolarHBondContact O-N 2.89Å; E55-S59 PolarHBondContact O-OG 3.19Å
56V86.9Confident83.8Confident0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-62-45.1173177.60000110.4L34 F47 T51 T52 I53 R58 S59 L60 L73 L85L34-V56 HydrophobicContact CD1-CG2 4.44Å; F47-V56 HydrophobicContact CD1-CG2 4.36Å; F47-V56 HydrophobicContact CD2-CG2 4.12Å; F47-V56 HydrophobicContact CE1-CG2 4.34Å; F47-V56 HydrophobicContact CE2-CB 4.41Å; F47-V56 HydrophobicContact CE2-CG1 3.91Å; F47-V56 HydrophobicContact CE2-CG2 4.05Å; F47-V56 HydrophobicContact CG-CG2 4.24Å; F47-V56 HydrophobicContact CZ-CB 4.31Å; F47-V56 HydrophobicContact CZ-CG1 4.11Å; F47-V56 HydrophobicContact CZ-CG2 4.17Å; T51-V56 HydrophobicContact CG2-CG2 4.03Å; T52-V56 PolarHBondContact O-N 3.49Å; T52-V56 VanDerWaalsContact O-N 3.12Å; I53-V56 PolarHBondContact O-N 3.38Å; V56-R58 PolarHBondContact O-N 2.9Å; V56-S59 PolarHBondContact O-N 2.87Å; V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.5Å; V56-L60 VanDerWaalsContact O-CG 3.32Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 3.05Å; V56-L73 HydrophobicContact CB-CD1 4.35Å; V56-L73 HydrophobicContact CG1-CD1 3.88Å; V56-L85 HydrophobicContact CG2-CD1 3.94Å; V56-L85 HydrophobicContact CG2-CD2 4.17Å; V56-L85 HydrophobicContact CG2-CG 4.17Å
57K88.1Confident83.8Confident15 Ų1550.1 Ų50.17%0.06527%0.265CS..Hα-helixtrans-61.1-43.3176.1-71.3-179176.8-173.30112.5I53 A54 S59 L60 E61 V68 Q71 L73 D81I53-K57 HydrophobicContact CG2-CG 4.49Å; I53-K57 WeakPolarHBondContact O-CG 3.46Å; I53-K57 PolarHBondContact O-N 2.92Å; A54-K57 PolarHBondContact O-N 3.45Å; K57-S59 VanDerWaalsContact C-N 3.28Å; K57-S59 PolarHBondContact O-N 3.4Å; K57-L60 PolarHBondContact O-N 2.73Å; K57-L60 VanDerWaalsContact O-N 3.11Å; K57-E61 PolarHBondContact O-N 3.11Å; K57-V68 HydrophobicContact CB-CG1 3.87Å; K57-V68 HydrophobicContact CB-CG2 4.34Å; K57-V68 HydrophobicContact CD-CG1 4.02Å; K57-Q71 HydrophobicContact CD-CB 4.11Å; K57-Q71 WeakPolarHBondContact CE-O 3.43Å; K57-Q71 HydrophobicContact CG-CB 4.13Å; K57-Q71 PolarHBondContact NZ-O 3.08Å; K57-Q71 PolarHBondContact O-NE2 3.49Å; K57-Q71 PolarHBondContact O-OE1 3.48Å; K57-Q71 VanDerWaalsContact O-OE1 3.11Å; K57-L73 HydrophobicContact CG-CD1 3.7Å; K57-L73 HydrophobicContact CG-CG 4.32Å; K57-D81 WeakPolarHBondContact CD-OD1 3.5Å; K57-D81 WeakPolarHBondContact CE-OD1 3.39Å; K57-D81 IonicContact NZ-OD1 2.61Å; K57-D81 PolarHBondContact NZ-OD1 3.49Å; K57-D81 IonicContact NZ-OD2 3.62Å
58R87.4Confident83.8Confident171 Ų17150.7 Ų50.765%0.64527%0.27SS*.Hα-helixtrans-61.2-37.5176.1-171.9-178.8-74.3147.5-3.4112A54 E55 V56 L60 P62A54-R58 PolarHBondContact O-N 3.32Å; E55-R58 PolarHBondContact O-N 3.24Å; V56-R58 PolarHBondContact O-N 2.9Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-P62 VanDerWaalsContact O-CD 3.24Å; R58-P62 WeakPolarHBondContact O-CD 3.48Å
59S85.8Confident83.8Confident49 Ų4953.3 Ų53.334%0.34329%0.288SS..Hα-helixtrans-73.4-25176.6-56.90000112.9E55 V56 K57E55-S59 PolarHBondContact O-N 2.89Å; E55-S59 PolarHBondContact O-OG 3.19Å; V56-S59 PolarHBondContact O-N 2.87Å; K57-S59 VanDerWaalsContact C-N 3.28Å; K57-S59 PolarHBondContact O-N 3.4Å
60L86.2Confident83.9Confident0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-83.7-26.2177.3-76.8167.8000114.1V36 L45 V56 K57 R58 L63 T64 L73V36-L60 HydrophobicContact CB-CD1 4.45Å; V36-L60 HydrophobicContact CB-CD2 3.79Å; V36-L60 HydrophobicContact CG1-CD1 3.88Å; V36-L60 HydrophobicContact CG1-CD2 3.71Å; V36-L60 HydrophobicContact CG1-CG 4.47Å; V36-L60 HydrophobicContact CG2-CD1 4.03Å; V36-L60 HydrophobicContact CG2-CD2 3.87Å; V36-L60 HydrophobicContact CG2-CG 4.45Å; L45-L60 HydrophobicContact CD1-CD2 3.52Å; L45-L60 HydrophobicContact CD1-CG 4.03Å; V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.5Å; V56-L60 VanDerWaalsContact O-CG 3.32Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 3.05Å; K57-L60 PolarHBondContact O-N 2.73Å; K57-L60 VanDerWaalsContact O-N 3.11Å; R58-L60 VanDerWaalsContact C-N 3.32Å; L60-L63 PolarHBondContact O-N 3.2Å; L60-T64 HydrophobicContact CB-CG2 4.5Å; L60-T64 HydrophobicContact CD2-CG2 4.23Å; L60-T64 WeakPolarHBondContact O-CB 3.42Å; L60-T64 WeakPolarHBondContact O-CG2 3.44Å; L60-T64 PolarHBondContact O-N 2.8Å; L60-T64 PolarHBondContact O-OG1 2.91Å; L60-L73 HydrophobicContact CD1-CD1 4.15Å; L60-L73 HydrophobicContact CD1-CD2 3.75Å; L60-L73 HydrophobicContact CD1-CG 4.44Å
61E84.6Confident84.1Confident81 Ų8152.2 Ų52.238%0.37927%0.273SS..Hα-helixtrans-50.7-52.1177.8179.1171.7-151.700113.1K57 L63 H65 V68K57-E61 PolarHBondContact O-N 3.11Å; E61-L63 PolarHBondContact O-N 2.94Å; E61-H65 WeakPolarHBondContact O-CA 3.32Å; E61-H65 PolarHBondContact O-N 3.27Å; E61-V68 HydrophobicContact CB-CG2 4.46Å
62P83.6Confident84.2Confident89 Ų8957.5 Ų57.558%0.57830%0.295SS*.Hα-helixtrans-68-21178.726.8-35.6000113.6R58R58-P62 VanDerWaalsContact O-CD 3.24Å; R58-P62 WeakPolarHBondContact O-CD 3.48Å
63L82.3Confident84.1Confident77 Ų7755.6 Ų55.640%0.40328%0.283SS..Hα-helixtrans-90.3-31.8-177.6-65.3170.1000113L45 L60 E61L45-L63 HydrophobicContact CD1-CD1 3.96Å; L45-L63 HydrophobicContact CD2-CD1 3.59Å; L45-L63 HydrophobicContact CG-CD1 4.23Å; L60-L63 PolarHBondContact O-N 3.2Å; E61-L63 PolarHBondContact O-N 2.94Å
64T81.1Confident84Confident3 Ų358.3 Ų58.32%0.01830%0.297CS..Hα-helixtrans-108.3-15-172.262.60000112.5H38 L60 V66 L99H38-T64 HydrophobicContact CB-CG2 3.92Å; L60-T64 HydrophobicContact CB-CG2 4.5Å; L60-T64 HydrophobicContact CD2-CG2 4.23Å; L60-T64 WeakPolarHBondContact O-CB 3.42Å; L60-T64 WeakPolarHBondContact O-CG2 3.44Å; L60-T64 PolarHBondContact O-N 2.8Å; L60-T64 PolarHBondContact O-OG1 2.91Å; T64-V66 PolarHBondContact O-N 3.39Å; T64-L99 HydrophobicContact CG2-CD2 3.59Å
65H78.5Confident83.7Confident130 Ų13058 Ų5860%0.60229%0.289SS*.  trans57.529.8-172.3-57-76.5000113.2E61E61-H65 WeakPolarHBondContact O-CA 3.32Å; E61-H65 PolarHBondContact O-N 3.27Å
66V80.1Confident83Confident0 Ų062.7 Ų62.70%030%0.303CS..  trans-109123.8176.2-176.30000108.4H38 T64 M70 Q71 K103H38-V66 WeakPolarHBondContact NE2-CG2 3.43Å; T64-V66 PolarHBondContact O-N 3.39Å; V66-M70 HydrophobicContact CG1-CB 3.87Å; V66-Q71 HydrophobicContact CB-CG 3.86Å; V66-Q71 HydrophobicContact CG1-CG 3.57Å; V66-Q71 PolarHBondContact O-NE2 3.44Å; V66-K103 HydrophobicContact CG2-CG 4.31Å
67P82.9Confident82.8Confident37 Ų3764.5 Ų64.524%0.2432%0.322CS..  trans-57.5143173.7-23.332.2000111.5D69 M70 Q71 P104P67-D69 PolarHBondContact O-N 3.43Å; P67-M70 WeakPolarHBondContact O-CA 3.46Å; P67-M70 PolarHBondContact O-N 2.82Å; P67-Q71 WeakPolarHBondContact O-CG 3.4Å; P67-Q71 PolarHBondContact O-N 3.27Å; P67-P104 VanDerWaalsContact CD-CD 3.41Å; P67-P104 HydrophobicContact CG-CG 3.94Å
68V83.9Confident82.6Confident37 Ų3769.9 Ų69.922%0.22435%0.35CS..G310 helixtrans-49.8-36.9-178.3175.50000112.8K57 E61 M70 Q71K57-V68 HydrophobicContact CB-CG1 3.87Å; K57-V68 HydrophobicContact CB-CG2 4.34Å; K57-V68 HydrophobicContact CD-CG1 4.02Å; E61-V68 HydrophobicContact CB-CG2 4.46Å; V68-M70 VanDerWaalsContact C-N 3.3Å; V68-M70 PolarHBondContact O-N 2.77Å; V68-Q71 WeakPolarHBondContact O-CB 3.4Å; V68-Q71 PolarHBondContact O-N 3.12Å
69D80.9Confident82.5Confident160 Ų16062.5 Ų62.586%0.85632%0.323SS*.G310 helixtrans-67.1-29.9179.7-59-28000113.3P67P67-D69 PolarHBondContact O-N 3.43Å
70M79.4Confident82.4Confident70 Ų7063.7 Ų63.735%0.34533%0.331SS..G310 helixtrans-93.4-3.3177.9-67.4-172.2173.700112.7V66 P67 V68 G101 P104V66-M70 HydrophobicContact CG1-CB 3.87Å; P67-M70 WeakPolarHBondContact O-CA 3.46Å; P67-M70 PolarHBondContact O-N 2.82Å; V68-M70 VanDerWaalsContact C-N 3.3Å; V68-M70 PolarHBondContact O-N 2.77Å; M70-G101 WeakPolarHBondContact O-CA 3.42Å; M70-P104 HydrophobicContact SD-CB 4.43Å
71Q84.3Confident82.2Confident1 Ų166.9 Ų66.91%0.00535%0.348CS..  trans-84.8115.7178.5-72.2-174.14200111.3K57 V66 P67 V68 L99K57-Q71 HydrophobicContact CD-CB 4.11Å; K57-Q71 WeakPolarHBondContact CE-O 3.43Å; K57-Q71 HydrophobicContact CG-CB 4.13Å; K57-Q71 PolarHBondContact NZ-O 3.08Å; K57-Q71 PolarHBondContact O-NE2 3.49Å; K57-Q71 PolarHBondContact O-OE1 3.48Å; K57-Q71 VanDerWaalsContact O-OE1 3.11Å; V66-Q71 HydrophobicContact CB-CG 3.86Å; V66-Q71 HydrophobicContact CG1-CG 3.57Å; V66-Q71 PolarHBondContact O-NE2 3.44Å; P67-Q71 WeakPolarHBondContact O-CG 3.4Å; P67-Q71 PolarHBondContact O-N 3.27Å; V68-Q71 WeakPolarHBondContact O-CB 3.4Å; V68-Q71 PolarHBondContact O-N 3.12Å; Q71-L99 HydrophobicContact CB-CD1 3.57Å; Q71-L99 HydrophobicContact CG-CD1 3.75Å; Q71-L99 HydrophobicContact CG-CD2 4.28Å
72K84.7Confident82.1Confident126 Ų12670 Ų7055%0.54837%0.368SS..EExtended strand (participates in β ladder)trans-108.2112.1167.5-59.1-179178.9178.10109.9V100K72-V100 WeakPolarHBondContact CA-O 3.44Å; K72-V100 HydrophobicContact CB-CB 4.35Å; K72-V100 VanDerWaalsContact CB-O 3.25Å; K72-V100 WeakPolarHBondContact CB-O 3.06Å; K72-V100 PolarHBondContact N-O 2.91Å; K72-V100 PolarHBondContact O-N 2.61Å
73L85.6Confident82Confident0 Ų067.3 Ų67.30%035%0.35CS..EExtended strand (participates in β ladder)trans-87.8136.5174.7-74.2170.4000110.2V36 I53 V56 K57 L60 L79 L97 M98 L99V36-L73 HydrophobicContact CG1-CD2 4.27Å; I53-L73 HydrophobicContact CG2-CD1 3.89Å; V56-L73 HydrophobicContact CB-CD1 4.35Å; V56-L73 HydrophobicContact CG1-CD1 3.88Å; K57-L73 HydrophobicContact CG-CD1 3.7Å; K57-L73 HydrophobicContact CG-CG 4.32Å; L60-L73 HydrophobicContact CD1-CD1 4.15Å; L60-L73 HydrophobicContact CD1-CD2 3.75Å; L60-L73 HydrophobicContact CD1-CG 4.44Å; L73-L79 HydrophobicContact CB-CB 4.26Å; L73-L79 HydrophobicContact CB-CD1 4.17Å; L73-L79 HydrophobicContact CB-CG 4.48Å; L73-L79 PolarHBondContact O-N 2.74Å; L73-L97 HydrophobicContact CD2-CD2 4.47Å; L73-M98 CarbonylContact C-O 3.54Å; L73-M98 WeakPolarHBondContact CA-O 3.25Å; L73-L99 HydrophobicContact CD2-CB 4.05Å; L73-L99 HydrophobicContact CD2-CD1 3.76Å; L73-L99 HydrophobicContact CG-CD1 4.07Å
74I84Confident82Confident57 Ų5765.3 Ų65.329%0.29234%0.341SS..EExtended strand (participates in β ladder)trans-126.2122.3-176.8-55-179.1000109.3G77 M98 V100I74-G77 CarbonylContact C-O 3.56Å; I74-G77 VanDerWaalsContact CA-O 3.23Å; I74-G77 WeakPolarHBondContact CA-O 3.41Å; I74-G77 WeakPolarHBondContact CG2-O 3.23Å; I74-M98 HydrophobicContact CB-CB 4.3Å; I74-M98 PolarHBondContact N-O 2.78Å; I74-M98 PolarHBondContact O-N 2.85Å; I74-V100 HydrophobicContact CD1-CB 4.25Å; I74-V100 HydrophobicContact CD1-CG2 3.5Å; I74-V100 HydrophobicContact CG1-CG2 4.33Å
75F79.8Confident82Confident28 Ų2865.1 Ų65.112%0.12334%0.34CS..SBendtrans-149.5106.8171.4-178.4-107.2000109.4G77 L79 L88 L90 V95 K96 L97F75-G77 CarbonylContact C-O 3.49Å; F75-G77 PolarHBondContact N-O 3.26Å; F75-G77 PolarHBondContact O-N 2.93Å; F75-G77 VanDerWaalsContact O-N 3.12Å; F75-L79 HydrophobicContact CB-CD1 3.92Å; F75-L79 HydrophobicContact CB-CD2 4.15Å; F75-L79 HydrophobicContact CB-CG 4.22Å; F75-L88 HydrophobicContact CD1-CB 4.12Å; F75-L88 HydrophobicContact CD1-CD1 4.23Å; F75-L88 HydrophobicContact CD1-CD2 4.24Å; F75-L88 HydrophobicContact CD1-CG 4.44Å; F75-L88 HydrophobicContact CE1-CB 4.17Å; F75-L90 HydrophobicContact CD1-CD2 4.12Å; F75-L90 HydrophobicContact CE1-CD2 3.61Å; F75-L90 HydrophobicContact CE2-CD2 4.4Å; F75-L90 HydrophobicContact CZ-CD2 3.78Å; F75-V95 HydrophobicContact CD2-CG1 3.59Å; F75-V95 HydrophobicContact CE1-CG1 4.38Å; F75-V95 HydrophobicContact CE2-CG1 3.21Å; F75-V95 HydrophobicContact CG-CG1 4.34Å; F75-V95 HydrophobicContact CZ-CG1 3.66Å; F75-K96 WeakPolarHBondContact CD2-O 3.13Å; F75-L97 HydrophobicContact CB-CD2 4.48Å; F75-L97 HydrophobicContact CB-CG 4.17Å
76R74Confident81.7Confident186 Ų18661.3 Ų61.370%0.70234%0.335SS*.SBendtrans50.630.5-170.4-65.5-176.6167.7139.6-4.4113.7S89R76-S89 PolarHBondContact NH1-O 3.4Å
77G81.6Confident81.5Confident38 Ų3867.2 Ų67.239%0.39236%0.363SS..SBendtrans137.5173.2-171.600000111.1I74 F75I74-G77 CarbonylContact C-O 3.56Å; I74-G77 VanDerWaalsContact CA-O 3.23Å; I74-G77 WeakPolarHBondContact CA-O 3.41Å; I74-G77 WeakPolarHBondContact CG2-O 3.23Å; F75-G77 CarbonylContact C-O 3.49Å; F75-G77 PolarHBondContact N-O 3.26Å; F75-G77 PolarHBondContact O-N 2.93Å; F75-G77 VanDerWaalsContact O-N 3.12Å
78I83.2Confident80.9Confident127 Ų12766.3 Ų66.365%0.65136%0.356SS*.BIsolated β-bridgetrans-75.7129.3174.2-59171.3000108.2
79L85.2Confident80Confident16 Ų1669.1 Ų69.18%0.08438%0.377CS..PPolyproline II helixtrans-88133.6179.1-58.3-173000111I53 L73 F75 L88 L97I53-L79 HydrophobicContact CD1-CD1 3.59Å; I53-L79 HydrophobicContact CG1-CB 4.24Å; I53-L79 HydrophobicContact CG1-CD1 4.14Å; I53-L79 HydrophobicContact CG2-CB 4.18Å; L73-L79 HydrophobicContact CB-CB 4.26Å; L73-L79 HydrophobicContact CB-CD1 4.17Å; L73-L79 HydrophobicContact CB-CG 4.48Å; L73-L79 PolarHBondContact O-N 2.74Å; F75-L79 HydrophobicContact CB-CD1 3.92Å; F75-L79 HydrophobicContact CB-CD2 4.15Å; F75-L79 HydrophobicContact CB-CG 4.22Å; L79-L88 HydrophobicContact CD1-CD1 3.78Å; L79-L88 HydrophobicContact CD1-CD2 4.17Å; L79-L88 HydrophobicContact CD2-CD2 3.41Å; L79-L88 VanDerWaalsContact CD2-CD2 3.41Å; L79-L88 HydrophobicContact CG-CD2 4.42Å; L79-L97 HydrophobicContact CD1-CD2 3.69Å
80S83.6Confident79.4Confident74 Ų7463 Ų6352%0.51734%0.344SS..PPolyproline II helixtrans-87.1150.7172.9-62.20000110.5I53 N82 T83I53-S80 WeakPolarHBondContact CB-O 3.49Å; S80-N82 PolarHBondContact O-N 3.1Å; S80-N82 VanDerWaalsContact O-N 3.15Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 3.18Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.94Å
81D83Confident78.4Confident67 Ų6764.4 Ų64.436%0.35836%0.359SS..THydrogen-bonded Turntrans-62.6-25.2-176.9-66.1-19.6000113.7A54 K57 T83A54-D81 HydrophobicContact CB-CB 4.28Å; A54-D81 PolarHBondContact N-O 2.98Å; K57-D81 WeakPolarHBondContact CD-OD1 3.5Å; K57-D81 WeakPolarHBondContact CE-OD1 3.39Å; K57-D81 IonicContact NZ-OD1 2.61Å; K57-D81 PolarHBondContact NZ-OD1 3.49Å; K57-D81 IonicContact NZ-OD2 3.62Å; D81-T83 VanDerWaalsContact C-N 3.33Å
82N82.1Confident77.3Confident148 Ų14866.3 Ų66.379%0.79138%0.379SS*.THydrogen-bonded Turntrans-80.5-9.9-179.7-62-17.7000113.8S80S80-N82 PolarHBondContact O-N 3.1Å; S80-N82 VanDerWaalsContact O-N 3.15Å
83T81.9Confident76.2Confident31 Ų3168.5 Ų68.519%0.1939%0.388CS..  trans-78.9139.7-179.3-56.70000110I53 S80 D81 E87 L88I53-T83 WeakPolarHBondContact CG1-O 3.24Å; I53-T83 PolarHBondContact N-O 3.11Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 3.18Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.94Å; D81-T83 VanDerWaalsContact C-N 3.33Å; T83-E87 HydrophobicContact CG2-CB 4.05Å; T83-L88 HydrophobicContact CG2-CD2 3.79Å; T83-L88 HydrophobicContact CG2-CG 4.28Å
84T83Confident75.2Confident35 Ų3573.9 Ų73.922%0.21542%0.417CS..BIsolated β-bridgetrans-91.5153.817458.60000111.2T52 G86 E87 L88T52-T84 HydrophobicContact CG2-CG2 4.22Å; T84-G86 PolarHBondContact O-N 2.6Å; T84-E87 PolarHBondContact O-N 3.23Å; T84-E87 VanDerWaalsContact O-N 3.12Å; T84-E87 VanDerWaalsContact OG1-CG 3.26Å; T84-E87 WeakPolarHBondContact OG1-CG 3.29Å; T84-E87 PolarHBondContact OG1-N 3.48Å; T84-E87 PolarHBondContact OG1-OE1 3.22Å; T84-L88 PolarHBondContact O-N 3.01Å
85L79.5Confident74.7Confident0 Ų071.2 Ų71.20%040%0.403CS..THydrogen-bonded Turntrans-61.1-28.6175-72.3178.2000112.8I32 L34 F47 T51 I53 V56 L88 L90I32-L85 HydrophobicContact CD1-CB 4.31Å; L34-L85 HydrophobicContact CD1-CD1 3.71Å; L34-L85 HydrophobicContact CD1-CD2 3.52Å; L34-L85 HydrophobicContact CD1-CG 4.28Å; L34-L85 HydrophobicContact CD2-CD2 4.39Å; F47-L85 HydrophobicContact CB-CD1 3.37Å; F47-L85 HydrophobicContact CD2-CD1 4.26Å; F47-L85 HydrophobicContact CG-CD1 4.02Å; T51-L85 HydrophobicContact CG2-CD1 4.43Å; T51-L85 WeakPolarHBondContact O-CG 3.48Å; T51-L85 PolarHBondContact O-N 2.74Å; I53-L85 HydrophobicContact CD1-CD2 3.9Å; V56-L85 HydrophobicContact CG2-CD1 3.94Å; V56-L85 HydrophobicContact CG2-CD2 4.17Å; V56-L85 HydrophobicContact CG2-CG 4.17Å; L85-L88 HydrophobicContact CD2-CD1 3.89Å; L85-L88 PolarHBondContact O-N 2.78Å; L85-L90 VanDerWaalsContact O-CD1 3.23Å; L85-L90 WeakPolarHBondContact O-CD1 3.34Å
86G73.5Confident74.8Confident49 Ų4977.3 Ų77.351%0.50543%0.43SS..THydrogen-bonded Turntrans-69.3-30.917400000114.4S49 T84 L88S49-G86 PolarHBondContact O-N 3.43Å; T84-G86 PolarHBondContact O-N 2.6Å; G86-L88 VanDerWaalsContact C-N 3.33Å
87E76.4Confident75.2Confident125 Ų12568.5 Ų68.558%0.58440%0.396SS*.THydrogen-bonded Turntrans-73.3-27.6175.6-79.9167-157.300112.6T83 T84 S89T83-E87 HydrophobicContact CG2-CB 4.05Å; T84-E87 PolarHBondContact O-N 3.23Å; T84-E87 VanDerWaalsContact O-N 3.12Å; T84-E87 VanDerWaalsContact OG1-CG 3.26Å; T84-E87 WeakPolarHBondContact OG1-CG 3.29Å; T84-E87 PolarHBondContact OG1-N 3.48Å; T84-E87 PolarHBondContact OG1-OE1 3.22Å; E87-S89 PolarHBondContact O-N 3.47Å
88L70.2Confident75.3Confident17 Ų1771 Ų719%0.08940%0.399CS..SBendtrans-65120.8169.2-56.1-179.7000107.5I53 F75 L79 T83 T84 L85 G86 L90I53-L88 HydrophobicContact CD1-CD1 4.1Å; F75-L88 HydrophobicContact CD1-CB 4.12Å; F75-L88 HydrophobicContact CD1-CD1 4.23Å; F75-L88 HydrophobicContact CD1-CD2 4.24Å; F75-L88 HydrophobicContact CD1-CG 4.44Å; F75-L88 HydrophobicContact CE1-CB 4.17Å; L79-L88 HydrophobicContact CD1-CD1 3.78Å; L79-L88 HydrophobicContact CD1-CD2 4.17Å; L79-L88 HydrophobicContact CD2-CD2 3.41Å; L79-L88 VanDerWaalsContact CD2-CD2 3.41Å; L79-L88 HydrophobicContact CG-CD2 4.42Å; T83-L88 HydrophobicContact CG2-CD2 3.79Å; T83-L88 HydrophobicContact CG2-CG 4.28Å; T84-L88 PolarHBondContact O-N 3.01Å; L85-L88 HydrophobicContact CD2-CD1 3.89Å; L85-L88 PolarHBondContact O-N 2.78Å; G86-L88 VanDerWaalsContact C-N 3.33Å; L88-L90 HydrophobicContact CB-CD1 4.43Å; L88-L90 HydrophobicContact CB-CD2 3.61Å; L88-L90 HydrophobicContact CB-CG 3.78Å; L88-L90 HydrophobicContact CD1-CD2 4.09Å; L88-L90 WeakPolarHBondContact O-CG 3.2Å; L88-L90 PolarHBondContact O-N 2.83Å
89S64.1Low75.3Confident96 Ų9665.4 Ų65.467%0.67137%0.37SS*.  trans-72.668.9174.5-64.30000110.6R76 E87 P91R76-S89 PolarHBondContact NH1-O 3.4Å; E87-S89 PolarHBondContact O-N 3.47Å; S89-P91 WeakPolarHBondContact O-CD 3.36Å
90L67.9Low75Confident32 Ų3268.1 Ų68.117%0.16839%0.387CS..  trans-66.3111.7-177.2-63.6175.5000109I32 L34 F75 L85 L88 G92 V95I32-L90 HydrophobicContact CD1-CD1 3.86Å; I32-L90 HydrophobicContact CG2-CD1 3.52Å; L34-L90 HydrophobicContact CD2-CD1 4.34Å; F75-L90 HydrophobicContact CD1-CD2 4.12Å; F75-L90 HydrophobicContact CE1-CD2 3.61Å; F75-L90 HydrophobicContact CE2-CD2 4.4Å; F75-L90 HydrophobicContact CZ-CD2 3.78Å; L85-L90 VanDerWaalsContact O-CD1 3.23Å; L85-L90 WeakPolarHBondContact O-CD1 3.34Å; L88-L90 HydrophobicContact CB-CD1 4.43Å; L88-L90 HydrophobicContact CB-CD2 3.61Å; L88-L90 HydrophobicContact CB-CG 3.78Å; L88-L90 HydrophobicContact CD1-CD2 4.09Å; L88-L90 WeakPolarHBondContact O-CG 3.2Å; L88-L90 PolarHBondContact O-N 2.83Å; L90-G92 PolarHBondContact O-N 2.75Å; L90-V95 HydrophobicContact CB-CG2 3.42Å; L90-V95 VanDerWaalsContact CB-CG2 3.42Å; L90-V95 HydrophobicContact CD1-CG2 3.94Å; L90-V95 HydrophobicContact CD2-CB 3.72Å; L90-V95 HydrophobicContact CD2-CG1 3.17Å; L90-V95 HydrophobicContact CD2-CG2 3.33Å; L90-V95 HydrophobicContact CG-CG1 4.4Å; L90-V95 HydrophobicContact CG-CG2 3.67Å
91P58Low74.4Confident100 Ų10065.3 Ų65.365%0.64937%0.37SS*.  trans-75.116.2-169.230.2-35.3000114.6S89S89-P91 WeakPolarHBondContact O-CD 3.36Å
92G62.5Low73.4Confident41 Ų4167.1 Ų67.142%0.42338%0.384SS..SBendtrans164.8-176.8-179.400000112.8L90 D94L90-G92 PolarHBondContact O-N 2.75Å; G92-D94 PolarHBondContact O-N 3.12Å
93K61.2Low72.5Confident171 Ų17165.3 Ų65.374%0.74337%0.369SS*.SBendtrans-64.6-21.3179.4-71.5-176.2178.3-178.40113.7S33S33-K93 CarbonylContact C-O 3.51Å; S33-K93 WeakPolarHBondContact CA-O 3.15Å; S33-K93 WeakPolarHBondContact CB-O 3.23Å; S33-K93 PolarHBondContact N-O 3.06Å
94D65.3Low71.1Confident113 Ų11364.4 Ų64.460%0.60436%0.364SS*.EExtended strand (participates in β ladder)trans-116.7100.9-177.6-72.4-47.8000111.7H44 G92H44-D94 IonicContact CE1-OD1 3.99Å; G92-D94 PolarHBondContact O-N 3.12Å
95V73.3Confident69.6Low2 Ų266 Ų661%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-105.9128.2-179.2-177.80000109.5S33 L34 T35 F75 L90 L97S33-V95 PolarHBondContact O-N 3.12Å; S33-V95 VanDerWaalsContact O-N 3.11Å; L34-V95 CarbonylContact C-O 3.57Å; L34-V95 WeakPolarHBondContact CA-O 3.32Å; L34-V95 HydrophobicContact CD2-CB 3.7Å; L34-V95 HydrophobicContact CD2-CG1 4.31Å; L34-V95 HydrophobicContact CD2-CG2 4.13Å; T35-V95 PolarHBondContact N-O 2.79Å; F75-V95 HydrophobicContact CD2-CG1 3.59Å; F75-V95 HydrophobicContact CE1-CG1 4.38Å; F75-V95 HydrophobicContact CE2-CG1 3.21Å; F75-V95 HydrophobicContact CG-CG1 4.34Å; F75-V95 HydrophobicContact CZ-CG1 3.66Å; L90-V95 HydrophobicContact CB-CG2 3.42Å; L90-V95 VanDerWaalsContact CB-CG2 3.42Å; L90-V95 HydrophobicContact CD1-CG2 3.94Å; L90-V95 HydrophobicContact CD2-CB 3.72Å; L90-V95 HydrophobicContact CD2-CG1 3.17Å; L90-V95 HydrophobicContact CD2-CG2 3.33Å; L90-V95 HydrophobicContact CG-CG1 4.4Å; L90-V95 HydrophobicContact CG-CG2 3.67Å; V95-L97 HydrophobicContact CB-CD1 4.23Å; V95-L97 HydrophobicContact CG1-CD1 3.67Å
96K80.4Confident68.4Low156 Ų15673.3 Ų73.368%0.67841%0.41SS*.EExtended strand (participates in β ladder)trans-91.7112173.5-65173.6-173.9167.40110.2T35 F75T35-K96 CarbonylContact O-C 3.54Å; T35-K96 VanDerWaalsContact O-CA 3.28Å; T35-K96 WeakPolarHBondContact O-CA 3.4Å; F75-K96 WeakPolarHBondContact CD2-O 3.13Å
97L83.6Confident67.4Low0 Ų073.4 Ų73.40%041%0.406CS..EExtended strand (participates in β ladder)trans-99.7148.3167.5-71.488000109L34 T35 V36 L37 L73 F75 L79 V95L34-L97 HydrophobicContact CB-CD1 4.02Å; L34-L97 HydrophobicContact CD1-CD1 3.97Å; L34-L97 HydrophobicContact CD2-CD1 3.69Å; L34-L97 HydrophobicContact CG-CD1 4.11Å; T35-L97 PolarHBondContact O-N 3.28Å; V36-L97 CarbonylContact C-O 3.55Å; V36-L97 WeakPolarHBondContact CA-O 3.4Å; V36-L97 HydrophobicContact CG2-CB 4.27Å; L37-L97 PolarHBondContact N-O 3.1Å; L73-L97 HydrophobicContact CD2-CD2 4.47Å; F75-L97 HydrophobicContact CB-CD2 4.48Å; F75-L97 HydrophobicContact CB-CG 4.17Å; L79-L97 HydrophobicContact CD1-CD2 3.69Å; V95-L97 HydrophobicContact CB-CD1 4.23Å; V95-L97 HydrophobicContact CG1-CD1 3.67Å
98M83.5Confident66.2Low92 Ų9271.8 Ų71.845%0.45340%0.399SS..EExtended strand (participates in β ladder)trans-106131.1169.4-72.9-177.663.400109.6L37 L73 I74L37-M98 HydrophobicContact CB-CG 4.32Å; L37-M98 HydrophobicContact CD2-CG 4.37Å; L73-M98 CarbonylContact C-O 3.54Å; L73-M98 WeakPolarHBondContact CA-O 3.25Å; I74-M98 HydrophobicContact CB-CB 4.3Å; I74-M98 PolarHBondContact N-O 2.78Å; I74-M98 PolarHBondContact O-N 2.85Å
99L84.2Confident65.3Low8 Ų876.3 Ų76.34%0.04242%0.42CS..EExtended strand (participates in β ladder)trans-96.9114.2168.7-179.469.6000108.6V36 L37 H38 T64 Q71 L73V36-L99 HydrophobicContact CG1-CB 3.7Å; L37-L99 PolarHBondContact O-N 2.89Å; H38-L99 HydrophobicContact CB-CB 4.19Å; H38-L99 HydrophobicContact CB-CD2 4.24Å; T64-L99 HydrophobicContact CG2-CD2 3.59Å; Q71-L99 HydrophobicContact CB-CD1 3.57Å; Q71-L99 HydrophobicContact CG-CD1 3.75Å; Q71-L99 HydrophobicContact CG-CD2 4.28Å; L73-L99 HydrophobicContact CD2-CB 4.05Å; L73-L99 HydrophobicContact CD2-CD1 3.76Å; L73-L99 HydrophobicContact CG-CD1 4.07Å
100V78.2Confident64.8Low73 Ų7374.5 Ų74.544%0.44241%0.405SS..EExtended strand (participates in β ladder)trans-103.2101.3169.6-178.40000107K72 I74K72-V100 WeakPolarHBondContact CA-O 3.44Å; K72-V100 HydrophobicContact CB-CB 4.35Å; K72-V100 VanDerWaalsContact CB-O 3.25Å; K72-V100 WeakPolarHBondContact CB-O 3.06Å; K72-V100 PolarHBondContact N-O 2.91Å; K72-V100 PolarHBondContact O-N 2.61Å; I74-V100 HydrophobicContact CD1-CB 4.25Å; I74-V100 HydrophobicContact CD1-CG2 3.5Å; I74-V100 HydrophobicContact CG1-CG2 4.33Å
101G70.2Confident64.2Low15 Ų1581.5 Ų81.516%0.15543%0.429CS..  trans-155.6125.6173.900000108.5H38 M70H38-G101 PolarHBondContact NE2-O 2.95Å; H38-G101 VanDerWaalsContact NE2-O 3.12Å; M70-G101 WeakPolarHBondContact O-CA 3.42Å
102T61.6Low64Low106 Ų10683.3 Ų83.365%0.6543%0.432SS*.PPolyproline II helixtrans-68.6132.2170.444.30000107
103K63.4Low63.5Low110 Ų11084.8 Ų84.848%0.47844%0.436SS..PPolyproline II helixtrans-53.5135.8161.8-64.9-177.1177.9-1740106.1V66 S105V66-K103 HydrophobicContact CG2-CG 4.31Å; K103-S105 PolarHBondContact O-N 2.84Å
104P52.7Low63.2Low12 Ų1282 Ų828%0.07843%0.426CS..PPolyproline II helixtrans-53.5116.516425.1-30.9000103.5P67 M70 E106P67-P104 VanDerWaalsContact CD-CD 3.41Å; P67-P104 HydrophobicContact CG-CG 3.94Å; M70-P104 HydrophobicContact SD-CB 4.43Å; P104-E106 PolarHBondContact O-N 2.81Å
105S51.8Low62.5Low69 Ų6980.8 Ų80.848%0.48343%0.431SS..PPolyproline II helixtrans-51144.2175.3-179.70000106.4K103 A107 E108 Q109K103-S105 PolarHBondContact O-N 2.84Å; S105-A107 PolarHBondContact O-N 3.1Å; S105-A107 WeakPolarHBondContact OG-CB 3.32Å; S105-A107 PolarHBondContact OG-N 2.73Å; S105-E108 WeakPolarHBondContact O-CA 3.39Å; S105-E108 PolarHBondContact O-N 2.89Å; S105-Q109 PolarHBondContact O-N 3.11Å; S105-Q109 VanDerWaalsContact O-N 3.08Å
106E54.4Low61.4Low152 Ų15287 Ų8771%0.7147%0.465SS*.Hα-helixtrans-49.4-29.8170.1-89171.7152.400109.9P104 E108 Q109 V110P104-E106 PolarHBondContact O-N 2.81Å; E106-E108 PolarHBondContact O-N 3.15Å; E106-Q109 PolarHBondContact O-N 3.48Å; E106-V110 WeakPolarHBondContact O-CB 3.47Å; E106-V110 WeakPolarHBondContact O-CG2 3.28Å; E106-V110 PolarHBondContact O-N 3Å
107A51.8Low59.7Low51 Ų5186.3 Ų86.342%0.42147%0.468SS..Hα-helixtrans-63.1-30.6171.500000115.5S105 R111S105-A107 PolarHBondContact O-N 3.1Å; S105-A107 WeakPolarHBondContact OG-CB 3.32Å; S105-A107 PolarHBondContact OG-N 2.73Å; A107-R111 VanDerWaalsContact O-CB 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.34Å; A107-R111 WeakPolarHBondContact O-CD 3.26Å; A107-R111 WeakPolarHBondContact O-CG 3.23Å; A107-R111 PolarHBondContact O-N 3.12Å
108E52.6Low57.5Low91 Ų9194.6 Ų94.643%0.42551%0.507SS..Hα-helixtrans-85-34.6173.8-77.4-172.4157.400112.6S105 E106 V110 R111 L112S105-E108 WeakPolarHBondContact O-CA 3.39Å; S105-E108 PolarHBondContact O-N 2.89Å; E106-E108 PolarHBondContact O-N 3.15Å; E108-V110 VanDerWaalsContact C-N 3.3Å; E108-R111 PolarHBondContact O-N 3.41Å; E108-L112 WeakPolarHBondContact O-CB 3.02Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.96Å
109Q51.2Low55.4Low112 Ų11295.3 Ų95.352%0.52352%0.516SS..Hα-helixtrans-65.6-39.4173-118156.37.500111.1S105 E106 S113S105-Q109 PolarHBondContact O-N 3.11Å; S105-Q109 VanDerWaalsContact O-N 3.08Å; E106-Q109 PolarHBondContact O-N 3.48Å; Q109-S113 PolarHBondContact O-N 3.26Å; Q109-S113 VanDerWaalsContact O-N 3.13Å; Q109-S113 PolarHBondContact O-OG 3.27Å; Q109-S113 VanDerWaalsContact O-OG 3.06Å
110V54.3Low53.3Low59 Ų59100.8 Ų100.836%0.35855%0.546SS..Hα-helixtrans-65.3-48.8170.8169.80000109.6E106 E108 L112 S113 E114E106-V110 WeakPolarHBondContact O-CB 3.47Å; E106-V110 WeakPolarHBondContact O-CG2 3.28Å; E106-V110 PolarHBondContact O-N 3Å; E108-V110 VanDerWaalsContact C-N 3.3Å; V110-L112 PolarHBondContact O-N 3.48Å; V110-S113 WeakPolarHBondContact CA-OG 3.49Å; V110-S113 CarbonylContact O-C 3.47Å; V110-S113 WeakPolarHBondContact O-CA 3.49Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 3.45Å; V110-E114 HydrophobicContact CG1-CG 3.74Å; V110-E114 WeakPolarHBondContact CG1-OE1 3.36Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.23Å; V110-E114 VanDerWaalsContact O-CB 3.23Å; V110-E114 WeakPolarHBondContact O-CB 3.32Å; V110-E114 WeakPolarHBondContact O-CG 3.43Å; V110-E114 PolarHBondContact O-N 2.62Å
111R53.4Low51.7Low179 Ų179105.4 Ų105.468%0.67556%0.562SS**Hα-helixtrans-59.6-36176-77.3167.1-175.2-147.5-0.6115.4A107 E108 S113 A115A107-R111 VanDerWaalsContact O-CB 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.34Å; A107-R111 WeakPolarHBondContact O-CD 3.26Å; A107-R111 WeakPolarHBondContact O-CG 3.23Å; A107-R111 PolarHBondContact O-N 3.12Å; E108-R111 PolarHBondContact O-N 3.41Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-A115 PolarHBondContact O-N 3.09Å
112L55.6Low50.5Low137 Ų137113.8 Ų113.872%0.71760%0.597SS**Hα-helixtrans-72.8-28.8175.8-73.3167.7000112E108 V110E108-L112 WeakPolarHBondContact O-CB 3.02Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.96Å; V110-L112 PolarHBondContact O-N 3.48Å
113S52.1Low50Low73 Ų73116.3 Ų116.351%0.5161%0.605SS.*Hα-helixtrans-84.3-26.6171.762.90000114Q109 V110 R111 N116Q109-S113 PolarHBondContact O-N 3.26Å; Q109-S113 VanDerWaalsContact O-N 3.13Å; Q109-S113 PolarHBondContact O-OG 3.27Å; Q109-S113 VanDerWaalsContact O-OG 3.06Å; V110-S113 WeakPolarHBondContact CA-OG 3.49Å; V110-S113 CarbonylContact O-C 3.47Å; V110-S113 WeakPolarHBondContact O-CA 3.49Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 3.45Å; R111-S113 VanDerWaalsContact C-N 3.34Å; S113-N116 PolarHBondContact O-N 3.36Å
114E53.1Low49.1Very low113 Ų113115.7 Ų115.753%0.52862%0.615SS.*Hα-helixtrans-81.8-19.7-177.9-78176.9158.500113.3V110 N116 N117V110-E114 HydrophobicContact CG1-CG 3.74Å; V110-E114 WeakPolarHBondContact CG1-OE1 3.36Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.23Å; V110-E114 VanDerWaalsContact O-CB 3.23Å; V110-E114 WeakPolarHBondContact O-CB 3.32Å; V110-E114 WeakPolarHBondContact O-CG 3.43Å; V110-E114 PolarHBondContact O-N 2.62Å; E114-N116 PolarHBondContact O-N 2.67Å; E114-N117 PolarHBondContact O-N 3.39Å
115A51.8Low48.5Very low86 Ų86122.5 Ų122.571%0.71165%0.65SS**THydrogen-bonded Turntrans-61.1-10.416900000113R111R111-A115 PolarHBondContact O-N 3.09Å
116N50.4Low47.7Very low134 Ų134125.9 Ų125.972%0.71766%0.663SS**THydrogen-bonded Turntrans-112.8-1.2179.6-82-23.7000115.8S113 E114S113-N116 PolarHBondContact O-N 3.36Å; E114-N116 PolarHBondContact O-N 2.67Å
117N44.1Very low46.8Very low140 Ų140124 Ų12475%0.74967%0.666SS**  trans-157.4114.5172.1-93.7-37.9000113.1E114E114-N117 PolarHBondContact O-N 3.39Å
118H37.9Very low46.3Very low175 Ų175133.3 Ų133.381%0.8169%0.69SS**  trans-56.4155.9168-158.1-9.7000111
119T39.5Very low45.5Very low107 Ų107133.6 Ų133.666%0.65670%0.702SS**  trans104103.6151.21.70000117.7
120N38.5Very low44.9Very low123 Ų123137 Ų13766%0.65872%0.718SS**  trans78.6126.9130.2-80.122.1000122.3
121E46.6Very low44.2Very low169 Ų169138.8 Ų138.879%0.7973%0.729SS**  100.3115.4129.1-76167.4-150.900119.2I123E121-I123 PolarHBondContact O-N 3.17Å
122E44Very low44.2Very low192 Ų192135.8 Ų135.890%0.89773%0.73SS**  trans-38.7111.5163.8-57.2174.6155.600113.3
123I51.6Low44.3Very low158 Ų158134.6 Ų134.681%0.8172%0.722SS**  trans-141.8116.7146.2-58.6-175.6000109.3E121E121-I123 PolarHBondContact O-N 3.17Å
124S43.7Very low45.1Very low98 Ų98134.8 Ų134.869%0.68572%0.718SS**  trans-27143160.453.80000117.7
125D39.9Very low46.1Very low154 Ų154130 Ų13082%0.82470%0.695SS**  118.7130.2121.6-136.61.3000116.9
126D35.4Very low47Very low140 Ų140126.3 Ų126.375%0.74966%0.664SS**  trans75.971.8152.7-146.818.9000119.9
127C34.9Very low48.1Very low114 Ų114123.8 Ų123.877%0.7765%0.65SS**SBendtrans-157100.8151.8-99.30000114.8
128R41.3Very low49.9Very low246 Ų246120.3 Ų120.393%0.92863%0.63SS**  trans64.339.9142.8-52.8-179.794.6130.93.1121.7E130R128-E130 PolarHBondContact O-N 3.2Å
129S36.2Very low52Low96 Ų96116.9 Ų116.967%0.67162%0.621SS**  trans-79.497.8160.459.70000111.1V131S129-V131 PolarHBondContact O-N 3.21Å
130E37.7Very low54.1Low183 Ų183118.1 Ų118.186%0.85562%0.619SS**  trans-68.187.8146-165.3174.6-163.800104.4R128 T132R128-E130 PolarHBondContact O-N 3.2Å; E130-T132 PolarHBondContact O-N 2.74Å
131V40.9Very low56.4Low98 Ų98112.3 Ų112.359%0.59459%0.588SS**  trans-57.793.7173.1-178.40000105.2S129 M133S129-V131 PolarHBondContact O-N 3.21Å; V131-M133 HydrophobicContact CG1-CG 3.85Å; V131-M133 PolarHBondContact O-N 3.47Å
132T52.6Low58.3Low115 Ų115108.9 Ų108.971%0.70657%0.571SS**  trans-64.182.6161.120.60000105.6E130 D134E130-T132 PolarHBondContact O-N 2.74Å; T132-D134 PolarHBondContact O-N 2.84Å; T132-D134 VanDerWaalsContact O-N 3.17Å
133M58.1Low60.2Low112 Ų112105.5 Ų105.555%0.55256%0.555SS**  trans-52.8122.6166.8-70.2-177.5179.100106.2V131 W135 Q138V131-M133 HydrophobicContact CG1-CG 3.85Å; V131-M133 PolarHBondContact O-N 3.47Å; M133-W135 PolarHBondContact O-N 3.15Å; M133-Q138 HydrophobicContact CB-CG 4.11Å; M133-Q138 PolarHBondContact O-NE2 2.98Å
134D67.9Low61.9Low78 Ų7898.5 Ų98.542%0.41752%0.519SS..  trans-45.5129.5169.2-73.7-27.3000107.5T132 S136 D137 Q138 K218T132-D134 PolarHBondContact O-N 2.84Å; T132-D134 VanDerWaalsContact O-N 3.17Å; D134-S136 PolarHBondContact O-N 2.84Å; D134-S136 VanDerWaalsContact O-N 3.09Å; D134-D137 WeakPolarHBondContact O-CA 3.35Å; D134-D137 WeakPolarHBondContact O-CB 2.78Å; D134-D137 PolarHBondContact O-N 2.93Å; D134-Q138 PolarHBondContact O-N 2.71Å; D134-K218 WeakPolarHBondContact OD2-CE 3.4Å; D134-K218 IonicContact OD2-NZ 3.7Å
135W75.8Confident63.9Low13 Ų1395 Ų955%0.04949%0.493CS..G310 helixtrans-54-35.8-179-75.1-3.8000110.2M133 D137 Q138 H141 V213 Q215 I225 A227 F239M133-W135 PolarHBondContact O-N 3.15Å; W135-D137 PolarHBondContact O-N 3.14Å; W135-D137 VanDerWaalsContact O-N 3.11Å; W135-Q138 VanDerWaalsContact CD1-NE2 3.34Å; W135-Q138 WeakPolarHBondContact O-CB 3.38Å; W135-Q138 PolarHBondContact O-N 3.11Å; W135-H141 VanDerWaalsContact CB-CD2 3.42Å; W135-H141 WeakPolarHBondContact CB-CD2 3.42Å; W135-H141 AromaticContact CG-CD2 3.81Å; W135-H141 AromaticContact CG-NE2 3.84Å; W135-H141 WeakPolarHBondContact O-CB 3.42Å; W135-H141 PolarHBondContact O-CD2 2.99Å; W135-H141 VanDerWaalsContact O-CD2 3.27Å; W135-V213 HydrophobicContact CH2-CB 3.83Å; W135-V213 HydrophobicContact CH2-CG1 4Å; W135-V213 HydrophobicContact CZ2-CB 4.24Å; W135-V213 HydrophobicContact CZ2-CG1 4.16Å; W135-Q215 HydrophobicContact CD2-CG 4.42Å; W135-Q215 HydrophobicContact CE3-CB 4.32Å; W135-Q215 HydrophobicContact CE3-CG 4.42Å; W135-I225 HydrophobicContact CB-CD1 4.09Å; W135-I225 HydrophobicContact CE3-CB 3.87Å; W135-I225 HydrophobicContact CE3-CG2 3.6Å; W135-I225 HydrophobicContact CZ3-CB 4.41Å; W135-I225 HydrophobicContact CZ3-CG2 4.07Å; W135-A227 HydrophobicContact CH2-CB 3.19Å; W135-A227 HydrophobicContact CZ2-CB 3.97Å; W135-A227 HydrophobicContact CZ3-CB 3.65Å; W135-F239 HydrophobicContact CD2-CE1 4.01Å; W135-F239 AromaticContact CE2-CE1 4Å; W135-F239 HydrophobicContact CE3-CD1 4.23Å; W135-F239 HydrophobicContact CE3-CE1 4.03Å; W135-F239 HydrophobicContact CH2-CE1 4.09Å; W135-F239 HydrophobicContact CZ2-CE1 4.04Å; W135-F239 HydrophobicContact CZ3-CD1 4.21Å; W135-F239 HydrophobicContact CZ3-CE1 4.08Å
136S69.3Low66.1Low8 Ų894.4 Ų94.46%0.05649%0.485CS..G310 helixtrans-54.8-25.9172.6-60.20000115.1D134 P216 K218D134-S136 PolarHBondContact O-N 2.84Å; D134-S136 VanDerWaalsContact O-N 3.09Å; S136-P216 PolarHBondContact OG-O 3.19Å; S136-K218 PolarHBondContact OG-N 3.1Å
137D74.1Confident68.5Low81 Ų8197 Ų9743%0.43349%0.485SS..G310 helixtrans-90.4-21.2175.8-67.6-31000113.6D134 W135 T139 K218D134-D137 WeakPolarHBondContact O-CA 3.35Å; D134-D137 WeakPolarHBondContact O-CB 2.78Å; D134-D137 PolarHBondContact O-N 2.93Å; W135-D137 PolarHBondContact O-N 3.14Å; W135-D137 VanDerWaalsContact O-N 3.11Å; D137-T139 PolarHBondContact O-N 2.78Å; D137-K218 VanDerWaalsContact OD1-CE 3.32Å; D137-K218 WeakPolarHBondContact OD1-CE 3.16Å; D137-K218 IonicContact OD1-NZ 2.67Å; D137-K218 PolarHBondContact OD1-NZ 3.08Å; D137-K218 WeakPolarHBondContact OD2-CE 3.36Å; D137-K218 IonicContact OD2-NZ 2.62Å; D137-K218 PolarHBondContact OD2-NZ 3.42Å
138Q82.7Confident70.9Confident67 Ų6796.4 Ų96.431%0.31347%0.467SS..SBendtrans-66.9135.6177.9-58.7-174.318.700109.4M133 D134 W135 E140 H141 K142M133-Q138 HydrophobicContact CB-CG 4.11Å; M133-Q138 PolarHBondContact O-NE2 2.98Å; D134-Q138 PolarHBondContact O-N 2.71Å; W135-Q138 VanDerWaalsContact CD1-NE2 3.34Å; W135-Q138 WeakPolarHBondContact O-CB 3.38Å; W135-Q138 PolarHBondContact O-N 3.11Å; Q138-E140 PolarHBondContact O-N 3.19Å; Q138-E140 VanDerWaalsContact O-N 3.08Å; Q138-H141 PolarHBondContact O-N 3.08Å; Q138-K142 WeakPolarHBondContact O-CB 3.48Å; Q138-K142 PolarHBondContact O-N 3.41Å
139T80.5Confident72.9Confident103 Ų10386 Ų8663%0.63244%0.436SS*.Hα-helixtrans-56-33.4-172.948.10000113.2D137 Q143D137-T139 PolarHBondContact O-N 2.78Å; T139-Q143 WeakPolarHBondContact O-CB 3.48Å; T139-Q143 WeakPolarHBondContact O-CG 3.37Å; T139-Q143 PolarHBondContact O-N 3.27Å; T139-Q143 VanDerWaalsContact O-N 3.14Å
140E84.5Confident75.2Confident132 Ų13286.2 Ų86.262%0.61743%0.425SS*.Hα-helixtrans-67.1-51.6179.9-61.2-173.6179.100111.8Q138 V144Q138-E140 PolarHBondContact O-N 3.19Å; Q138-E140 VanDerWaalsContact O-N 3.08Å; E140-V144 WeakPolarHBondContact O-CG2 3.33Å; E140-V144 PolarHBondContact O-N 3.09Å
141H87.4Confident77.4Confident1 Ų178.8 Ų78.81%0.00539%0.393CS..Hα-helixtrans-73.3-38.7-177.5-57.1-51.7000111.6W135 Q138 Q143 V144 L145 I225 F239 Y241W135-H141 VanDerWaalsContact CB-CD2 3.42Å; W135-H141 WeakPolarHBondContact CB-CD2 3.42Å; W135-H141 AromaticContact CG-CD2 3.81Å; W135-H141 AromaticContact CG-NE2 3.84Å; W135-H141 WeakPolarHBondContact O-CB 3.42Å; W135-H141 PolarHBondContact O-CD2 2.99Å; W135-H141 VanDerWaalsContact O-CD2 3.27Å; Q138-H141 PolarHBondContact O-N 3.08Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 3.37Å; H141-V144 PolarHBondContact O-N 3.38Å; H141-V144 VanDerWaalsContact O-N 3.13Å; H141-L145 VanDerWaalsContact O-CG 3.32Å; H141-L145 WeakPolarHBondContact O-CG 3.41Å; H141-L145 PolarHBondContact O-N 3.06Å; H141-I225 HydrophobicContact CB-CD1 4.11Å; H141-F239 AromaticContact CE1-CD1 3.35Å; H141-F239 WeakPolarHBondContact CE1-CD1 3.46Å; H141-F239 AromaticContact CE1-CD2 3.87Å; H141-F239 AromaticContact CE1-CE1 3.33Å; H141-F239 WeakPolarHBondContact CE1-CE1 3.43Å; H141-F239 AromaticContact CE1-CE2 3.85Å; H141-F239 AromaticContact CE1-CG 3.62Å; H141-F239 AromaticContact CE1-CZ 3.58Å; H141-F239 AromaticContact NE2-CD1 3.98Å; H141-F239 AromaticContact NE2-CE1 3.52Å; H141-F239 AromaticContact NE2-CZ 3.73Å; H141-Y241 HydrophobicContact CB-CE1 4Å; H141-Y241 AromaticContact ND1-CE1 3.54Å; H141-Y241 AromaticContact ND1-CZ 3.51Å; H141-Y241 PolarHBondContact ND1-OH 3.35Å
142K85.1Confident79.1Confident98 Ų9883.5 Ų83.543%0.42641%0.408SS..Hα-helixtrans-57-45.9174.4-175.5174.5174.2177.90111.4Q138 V144 L145 E146Q138-K142 WeakPolarHBondContact O-CB 3.48Å; Q138-K142 PolarHBondContact O-N 3.41Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.04Å; K142-L145 PolarHBondContact O-N 2.89Å; K142-E146 WeakPolarHBondContact CE-OE1 3.15Å; K142-E146 HydrophobicContact CG-CG 4.24Å; K142-E146 IonicContact NZ-OE1 3.76Å; K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 WeakPolarHBondContact O-CG 3.46Å; K142-E146 PolarHBondContact O-N 3.31Å
143Q85.4Confident80.5Confident121 Ų12184 Ų8457%0.56541%0.407SS*.Hα-helixtrans-61.1-39.1176.1-78175.633.600112.6T139 H141 R147T139-Q143 WeakPolarHBondContact O-CB 3.48Å; T139-Q143 WeakPolarHBondContact O-CG 3.37Å; T139-Q143 PolarHBondContact O-N 3.27Å; T139-Q143 VanDerWaalsContact O-N 3.14Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 3.37Å; Q143-R147 WeakPolarHBondContact O-CB 3.27Å; Q143-R147 PolarHBondContact O-N 2.71Å
144V86.2Confident81.6Confident10 Ų1079.5 Ų79.56%0.06139%0.387CS..Hα-helixtrans-65.7-45.3177.6175.70000110.7E140 H141 K142 Y148 K177 Y241E140-V144 WeakPolarHBondContact O-CG2 3.33Å; E140-V144 PolarHBondContact O-N 3.09Å; H141-V144 PolarHBondContact O-N 3.38Å; H141-V144 VanDerWaalsContact O-N 3.13Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.04Å; V144-Y148 HydrophobicContact CB-CD2 4.46Å; V144-Y148 HydrophobicContact CG1-CD2 3.99Å; V144-Y148 WeakPolarHBondContact O-CD2 3.22Å; V144-Y148 PolarHBondContact O-N 2.73Å; V144-Y148 VanDerWaalsContact O-N 3.1Å; V144-K177 VanDerWaalsContact CG2-O 3.26Å; V144-K177 WeakPolarHBondContact CG2-O 3.35Å; V144-Y241 HydrophobicContact CB-CE1 4.11Å; V144-Y241 HydrophobicContact CG1-CD1 4.13Å; V144-Y241 HydrophobicContact CG1-CD2 4.01Å; V144-Y241 HydrophobicContact CG1-CE1 4.02Å; V144-Y241 HydrophobicContact CG1-CE2 3.92Å; V144-Y241 HydrophobicContact CG1-CG 4.12Å
145L86.4Confident82.4Confident26 Ų2678.1 Ų78.114%0.13638%0.379CS..Hα-helixtrans-65.4-45.1179.5-65.8172.7000112.1H141 K142 G149 I217 I225 Y241 W242H141-L145 VanDerWaalsContact O-CG 3.32Å; H141-L145 WeakPolarHBondContact O-CG 3.41Å; H141-L145 PolarHBondContact O-N 3.06Å; K142-L145 PolarHBondContact O-N 2.89Å; L145-G149 WeakPolarHBondContact O-CA 3.18Å; L145-G149 PolarHBondContact O-N 2.91Å; L145-G149 VanDerWaalsContact O-N 3.08Å; L145-I217 HydrophobicContact CD1-CG2 3.84Å; L145-I217 HydrophobicContact CD2-CD1 3.91Å; L145-I217 HydrophobicContact CD2-CG1 4.34Å; L145-I217 HydrophobicContact CD2-CG2 4.03Å; L145-I225 HydrophobicContact CD1-CD1 4.28Å; L145-Y241 HydrophobicContact CD2-CD1 4.24Å; L145-W242 HydrophobicContact CD2-CH2 4.5Å; L145-W242 HydrophobicContact CD2-CZ2 3.77Å
146E85.3Confident82.8Confident141 Ų14182.9 Ų82.966%0.65941%0.409SS*.Hα-helixtrans-70.9-37.2179.6-71.9179.7163.700112.6K142K142-E146 WeakPolarHBondContact CE-OE1 3.15Å; K142-E146 HydrophobicContact CG-CG 4.24Å; K142-E146 IonicContact NZ-OE1 3.76Å; K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 WeakPolarHBondContact O-CG 3.46Å; K142-E146 PolarHBondContact O-N 3.31Å
147R87Confident83.5Confident195 Ų19583.1 Ų83.174%0.73641%0.412SS*.Hα-helixtrans-80.2-40.5-174.2-172.3175.6-172.1169.73.3113.5Q143Q143-R147 WeakPolarHBondContact O-CB 3.27Å; Q143-R147 PolarHBondContact O-N 2.71Å
148Y84.9Confident84.1Confident101 Ų10182.7 Ų82.740%0.39641%0.41SS..Hα-helixtrans-103.6-26.8-173.7-59.6-72.2000112.9V144 R178 G179V144-Y148 HydrophobicContact CB-CD2 4.46Å; V144-Y148 HydrophobicContact CG1-CD2 3.99Å; V144-Y148 WeakPolarHBondContact O-CD2 3.22Å; V144-Y148 PolarHBondContact O-N 2.73Å; V144-Y148 VanDerWaalsContact O-N 3.1Å; Y148-R178 VanDerWaalsContact CE1-O 3.3Å; Y148-R178 WeakPolarHBondContact CE1-O 3.32Å; Y148-R178 VanDerWaalsContact CE2-C 3.49Å; Y148-R178 PolarHBondContact OH-O 3.34Å; Y148-G179 VanDerWaalsContact CG-CA 3.49Å
149G83.1Confident84.1Confident27 Ų2783.1 Ų83.128%0.27841%0.413SS..  trans62.8-167.5-175.500000113.1L145 W242L145-G149 WeakPolarHBondContact O-CA 3.18Å; L145-G149 PolarHBondContact O-N 2.91Å; L145-G149 VanDerWaalsContact O-N 3.08Å; G149-W242 VanDerWaalsContact C-CZ2 3.48Å; G149-W242 PolarHBondContact O-NE1 2.88Å
150K84.1Confident84.2Confident100 Ų10086.3 Ų86.344%0.43543%0.427SS..SBendtrans-72.5128.5177.6-178.8179.21771760110A154 Y223 W242K150-A154 HydrophobicContact CD-CB 4.28Å; K150-A154 VanDerWaalsContact CE-CB 3.42Å; K150-A154 HydrophobicContact CG-CB 3.83Å; K150-Y223 HydrophobicContact CD-CE2 4.17Å; K150-Y223 VanDerWaalsContact CE-CZ 3.49Å; K150-Y223 WeakPolarHBondContact CE-OH 3.37Å; K150-Y223 PolarHBondContact NZ-OH 3.28Å; K150-W242 HydrophobicContact CB-CD2 4.19Å; K150-W242 HydrophobicContact CB-CE3 4.07Å; K150-W242 HydrophobicContact CB-CH2 3.95Å; K150-W242 HydrophobicContact CB-CZ2 4.06Å; K150-W242 HydrophobicContact CB-CZ3 3.95Å; K150-W242 HydrophobicContact CG-CD2 4.34Å; K150-W242 HydrophobicContact CG-CE3 4.06Å; K150-W242 HydrophobicContact CG-CZ3 4.28Å
151P83.9Confident84.4Confident28 Ų2884.1 Ų84.118%0.18242%0.418CS..  trans-66.1143.6177.225.4-31.3000110.9N153 A154 G173 W242P151-N153 PolarHBondContact O-N 2.95Å; P151-A154 HydrophobicContact CG-CB 4.08Å; P151-A154 WeakPolarHBondContact O-CB 3.32Å; P151-A154 PolarHBondContact O-N 2.74Å; P151-G173 WeakPolarHBondContact CG-O 3.45Å; P151-W242 VanDerWaalsContact CD-CD1 3.42Å; P151-W242 HydrophobicContact CG-CB 4.33Å; P151-W242 HydrophobicContact CG-CG 4.41Å
152E77.8Confident84.3Confident196 Ų19691.3 Ų91.392%0.91645%0.452SS*.THydrogen-bonded Turntrans-60.2-31.3-177.9-172.3176.7-176.800112.9A154E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.22Å
153N81.7Confident84.5Confident126 Ų12690.2 Ų90.267%0.67445%0.448SS*.THydrogen-bonded Turntrans-90.313.6178.1-62.7-43.7000113.5P151 M155 G173P151-N153 PolarHBondContact O-N 2.95Å; N153-M155 PolarHBondContact O-N 3.12Å; N153-G173 WeakPolarHBondContact O-CA 3.37Å
154A81.1Confident84.5Confident17 Ų1791.4 Ų91.414%0.1446%0.457CS..PPolyproline II helixtrans-56.2122.3177.300000110.8K150 P151 E152K150-A154 HydrophobicContact CD-CB 4.28Å; K150-A154 VanDerWaalsContact CE-CB 3.42Å; K150-A154 HydrophobicContact CG-CB 3.83Å; P151-A154 HydrophobicContact CG-CB 4.08Å; P151-A154 WeakPolarHBondContact O-CB 3.32Å; P151-A154 PolarHBondContact O-N 2.74Å; E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.22Å
155M83.8Confident84.5Confident50 Ų5091 Ų9125%0.24646%0.455CS..PPolyproline II helixtrans-58.4148.6168.3-68.4175.670.900109.8N153 G157 L171 Y223 P244 Y247N153-M155 PolarHBondContact O-N 3.12Å; M155-G157 PolarHBondContact O-N 2.82Å; M155-L171 HydrophobicContact CE-CD2 3.96Å; M155-L171 HydrophobicContact SD-CD2 3.69Å; M155-Y223 VanDerWaalsContact O-CE1 3.24Å; M155-Y223 WeakPolarHBondContact O-CE1 2.96Å; M155-Y223 PolarHBondContact O-OH 3.5Å; M155-P244 HydrophobicContact CB-CG 3.8Å; M155-Y247 HydrophobicContact CE-CE2 3.66Å
156V84.8Confident84.3Confident113 Ų11395 Ų9569%0.68548%0.476SS*.PPolyproline II helixtrans-69.7121.5-179.2-178.80000109Q246V156-Q246 PolarHBondContact O-NE2 3.28Å
157G82.9Confident83.7Confident12 Ų1291.4 Ų91.412%0.12447%0.465CS..PPolyproline II helixtrans-74.2129.317200000110.7M155 E222 Y223M155-G157 PolarHBondContact O-N 2.82Å; G157-E222 WeakPolarHBondContact CA-O 3.41Å; G157-Y223 PolarHBondContact N-OH 2.94Å
158I87.7Confident83.2Confident73 Ų7385.5 Ų85.537%0.37445%0.448SS..  trans-115.7118.4173.7-46.5173.2000108.8I161 S245I158-I161 HydrophobicContact CB-CD1 4.35Å; I158-I161 HydrophobicContact CG2-CB 4.25Å; I158-I161 HydrophobicContact CG2-CD1 3.44Å; I158-I161 VanDerWaalsContact CG2-CD1 3.44Å; I158-I161 HydrophobicContact CG2-CG1 3.81Å; I158-S245 PolarHBondContact O-OG 2.83Å
159L83.6Confident83.2Confident75 Ų7583.3 Ų83.339%0.39344%0.441SS..THydrogen-bonded Turntrans-74.1145.6177.4-73.6168.2000111I161 P221 E222L159-I161 PolarHBondContact O-N 3.13Å; L159-P221 HydrophobicContact CD1-CB 4.24Å; L159-P221 HydrophobicContact CD1-CG 3.92Å; L159-P221 VanDerWaalsContact CD2-C 3.45Å; L159-P221 HydrophobicContact CD2-CB 4.08Å; L159-P221 VanDerWaalsContact CD2-O 3.27Å; L159-P221 WeakPolarHBondContact CD2-O 3.3Å; L159-E222 HydrophobicContact CD1-CB 4.23Å; L159-E222 HydrophobicContact CD2-CB 4.26Å; L159-E222 HydrophobicContact CG-CB 3.83Å
160N82.1Confident83.4Confident170 Ų17084.5 Ų84.591%0.90945%0.445SS*.THydrogen-bonded Turntrans62.520.5175.7-49.2-41.5000114.8
161I88.1Confident83.7Confident86 Ų8679.7 Ų79.744%0.44142%0.424SS..  trans-121.3136.6171.1-58.9-170.7000107.3I158 L159 Q246I158-I161 HydrophobicContact CB-CD1 4.35Å; I158-I161 HydrophobicContact CG2-CB 4.25Å; I158-I161 HydrophobicContact CG2-CD1 3.44Å; I158-I161 VanDerWaalsContact CG2-CD1 3.44Å; I158-I161 HydrophobicContact CG2-CG1 3.81Å; L159-I161 PolarHBondContact O-N 3.13Å; I161-Q246 WeakPolarHBondContact O-CA 3.14Å; I161-Q246 WeakPolarHBondContact O-CB 3.39Å
162E85.9Confident83.9Confident153 Ų15382.1 Ų82.172%0.71544%0.435SS*.  trans-107.5118.6168.7-68.1177.3-171.200107.8E249E162-E249 HydrophobicContact CG-CB 4.43Å
163E87.9Confident84.3Confident75 Ų7573.2 Ų73.235%0.3540%0.396SS..  trans-108.4129.4178.9-166.1175.7147.900108.7L165 Q246 Y247 S250E163-L165 PolarHBondContact O-N 3.39Å; E163-Q246 HydrophobicContact CB-CB 4.07Å; E163-Q246 HydrophobicContact CB-CG 3.92Å; E163-Q246 PolarHBondContact N-O 3.3Å; E163-Y247 HydrophobicContact CB-CD1 4.06Å; E163-Y247 HydrophobicContact CB-CE1 3.75Å; E163-Y247 VanDerWaalsContact CD-CE1 3.46Å; E163-Y247 HydrophobicContact CG-CD1 4.41Å; E163-Y247 HydrophobicContact CG-CE1 3.67Å; E163-Y247 WeakPolarHBondContact OE1-CE1 3.06Å; E163-Y247 PolarHBondContact OE1-OH 3.28Å; E163-Y247 PolarHBondContact OE2-OH 3.43Å; E163-S250 WeakPolarHBondContact O-CB 3.26Å
164I86.3Confident84.8Confident145 Ų14567.2 Ų67.274%0.74436%0.363SS*.PPolyproline II helixtrans-77.9116.5177.4-58.8175.7000107.2D166I164-D166 PolarHBondContact O-N 2.87Å
165L85.6Confident85.2Confident3 Ų366.5 Ų66.52%0.01636%0.358CS..PPolyproline II helixtrans-66.8128174.5-17173.3000109.5E163 E169 L171 I186 Y247 S250 I251 M254E163-L165 PolarHBondContact O-N 3.39Å; L165-E169 HydrophobicContact CD1-CB 3.86Å; L165-E169 HydrophobicContact CD1-CG 3.88Å; L165-E169 WeakPolarHBondContact CD1-OE2 3.27Å; L165-E169 HydrophobicContact CG-CB 4.09Å; L165-L171 HydrophobicContact CD1-CD1 3.99Å; L165-L171 HydrophobicContact CD1-CD2 3.48Å; L165-L171 VanDerWaalsContact CD1-CD2 3.48Å; L165-L171 HydrophobicContact CD1-CG 3.61Å; L165-L171 HydrophobicContact CD2-CD1 4.21Å; L165-L171 HydrophobicContact CD2-CG 4.32Å; L165-I186 HydrophobicContact CD2-CD1 4.32Å; L165-Y247 HydrophobicContact CB-CD1 4.23Å; L165-Y247 HydrophobicContact CD1-CD1 3.89Å; L165-Y247 HydrophobicContact CD1-CE1 4.1Å; L165-Y247 HydrophobicContact CD1-CG 4.44Å; L165-S250 PolarHBondContact N-OG 2.82Å; L165-I251 HydrophobicContact CD2-CG1 4.28Å; L165-M254 HydrophobicContact CB-SD 4.22Å; L165-M254 HydrophobicContact CD2-SD 4.46Å
166D83.6Confident85.5Confident109 Ų10964.8 Ų64.858%0.58335%0.349SS*.PPolyproline II helixtrans-62.8143.7178-89.4-28.7000110.3I164 N168 E169I164-D166 PolarHBondContact O-N 2.87Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-E169 HydrophobicContact CB-CB 3.94Å; D166-E169 PolarHBondContact N-OE2 3.27Å; D166-E169 VanDerWaalsContact N-OE2 3.15Å; D166-E169 WeakPolarHBondContact O-CB 3.35Å; D166-E169 PolarHBondContact O-N 3.02Å
167P72.3Confident85.7Confident65 Ų6566 Ų6642%0.42235%0.345SS..THydrogen-bonded Turntrans-65.18.8-170.723-33000115.9P188P167-P188 HydrophobicContact CB-CG 3.54Å; P167-P188 WeakPolarHBondContact O-CD 3.02Å
168N76Confident85.8Confident72 Ų7273.4 Ų73.439%0.38537%0.37SS..THydrogen-bonded Turntrans-144.610.5171.6-87.2-68.5000113D166 R185D166-N168 PolarHBondContact O-N 3.29Å; N168-R185 PolarHBondContact O-NE 2.95Å; N168-R185 PolarHBondContact OD1-NH2 3.46Å
169E85.5Confident85.7Confident54 Ų5470.8 Ų70.825%0.25236%0.36SS..  trans-69.5146.8-177.5-170.3170.4-176.700111.4L165 D166L165-E169 HydrophobicContact CD1-CB 3.86Å; L165-E169 HydrophobicContact CD1-CG 3.88Å; L165-E169 WeakPolarHBondContact CD1-OE2 3.27Å; L165-E169 HydrophobicContact CG-CB 4.09Å; D166-E169 HydrophobicContact CB-CB 3.94Å; D166-E169 PolarHBondContact N-OE2 3.27Å; D166-E169 VanDerWaalsContact N-OE2 3.15Å; D166-E169 WeakPolarHBondContact O-CB 3.35Å; D166-E169 PolarHBondContact O-N 3.02Å
170C87.9Confident85.8Confident52 Ų5270.5 Ų70.535%0.35136%0.357SS..EExtended strand (participates in β ladder)trans-113.3104.4-178.1-179.10000107.8L172 L184C170-L172 PolarHBondContact O-N 2.8Å; C170-L184 CarbonylContact C-O 3.55Å; C170-L184 WeakPolarHBondContact CA-O 3.44Å
171L90.4Very high86.2Confident0 Ų065.9 Ų65.90%034%0.336CS..EExtended strand (participates in β ladder)trans-70.1125.2173.7-68.4180000109.7M155 L165 L174 R183 L184 L243 Y247 I251M155-L171 HydrophobicContact CE-CD2 3.96Å; M155-L171 HydrophobicContact SD-CD2 3.69Å; L165-L171 HydrophobicContact CD1-CD1 3.99Å; L165-L171 HydrophobicContact CD1-CD2 3.48Å; L165-L171 VanDerWaalsContact CD1-CD2 3.48Å; L165-L171 HydrophobicContact CD1-CG 3.61Å; L165-L171 HydrophobicContact CD2-CD1 4.21Å; L165-L171 HydrophobicContact CD2-CG 4.32Å; L171-L174 HydrophobicContact CB-CD1 4.07Å; L171-R183 WeakPolarHBondContact O-CA 3.32Å; L171-L184 HydrophobicContact CB-CB 4.37Å; L171-L184 HydrophobicContact CD1-CD2 4.37Å; L171-L184 PolarHBondContact N-O 3.18Å; L171-L184 PolarHBondContact O-N 3.21Å; L171-L243 HydrophobicContact CD1-CD1 3.93Å; L171-Y247 HydrophobicContact CD1-CD2 4.31Å; L171-Y247 HydrophobicContact CD1-CG 4.22Å; L171-Y247 HydrophobicContact CD2-CD1 4.41Å; L171-Y247 HydrophobicContact CD2-CD2 3.66Å; L171-Y247 HydrophobicContact CD2-CE1 4.48Å; L171-Y247 HydrophobicContact CD2-CE2 3.75Å; L171-Y247 HydrophobicContact CD2-CG 4.02Å; L171-I251 HydrophobicContact CD1-CD1 3.68Å
172L87.9Confident86.4Confident78 Ų7861.9 Ų61.941%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-107.7166.3179.5-58.8179.8000110.1C170 L174 R183C170-L172 PolarHBondContact O-N 2.8Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.88Å; L172-R183 HydrophobicContact CD2-CB 4.1Å; L172-R183 HydrophobicContact CD2-CG 3.53Å
173G85.4Confident86.7Confident9 Ų961.9 Ų61.99%0.09331%0.309CS..EExtended strand (participates in β ladder)trans75.923.6174.400000114.4P151 N153P151-G173 WeakPolarHBondContact CG-O 3.45Å; N153-G173 WeakPolarHBondContact O-CA 3.37Å
174L91.7Very high87Confident0 Ų058.3 Ų58.30%029%0.292CS..EExtended strand (participates in β ladder)trans-93.9163.9171.2-50.2173000108.9L171 L172 L182 L184 V240 L243L171-L174 HydrophobicContact CB-CD1 4.07Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.88Å; L174-L182 HydrophobicContact CB-CB 4.09Å; L174-L182 WeakPolarHBondContact CB-O 3.16Å; L174-L182 PolarHBondContact N-O 2.99Å; L174-L182 PolarHBondContact O-N 3.17Å; L174-L184 HydrophobicContact CD1-CB 3.4Å; L174-L184 VanDerWaalsContact CD1-CB 3.4Å; L174-L184 HydrophobicContact CD1-CD1 4.3Å; L174-L184 HydrophobicContact CD1-CG 4.47Å; L174-V240 HydrophobicContact CB-CG1 3.88Å; L174-V240 HydrophobicContact CD1-CG1 3.94Å; L174-V240 HydrophobicContact CD2-CG1 4.33Å; L174-V240 HydrophobicContact CG-CG1 4.27Å; L174-L243 HydrophobicContact CD1-CD1 4.19Å; L174-L243 HydrophobicContact CD2-CB 4.1Å; L174-L243 HydrophobicContact CD2-CD1 3.62Å; L174-L243 HydrophobicContact CD2-CG 4.46Å
175C90.6Very high87.2Confident3 Ų355.2 Ų55.22%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-134.7158.516775.10000113.5Q180 Y241C175-Q180 WeakPolarHBondContact CA-O 3.32Å; C175-Q180 WeakPolarHBondContact CB-O 3.41Å; C175-Y241 PolarHBondContact N-O 2.99Å; C175-Y241 VanDerWaalsContact N-O 3.16Å; C175-Y241 WeakPolarHBondContact O-CD2 3.41Å; C175-Y241 PolarHBondContact O-N 2.9Å
176D90.2Very high87.4Confident13 Ų1355.2 Ų55.27%0.0727%0.271CS..  trans-91.6-178.6173.598.8-40.9000111.6R178 G179 Q180D176-R178 VanDerWaalsContact CG-N 3.29Å; D176-R178 PolarHBondContact O-N 2.83Å; D176-R178 VanDerWaalsContact O-N 3.1Å; D176-R178 WeakPolarHBondContact OD1-CA 3.43Å; D176-R178 VanDerWaalsContact OD1-CB 3.25Å; D176-R178 WeakPolarHBondContact OD1-CB 3.24Å; D176-R178 PolarHBondContact OD1-N 2.78Å; D176-R178 PolarHBondContact OD2-N 2.91Å; D176-G179 PolarHBondContact O-N 3.2Å; D176-G179 PolarHBondContact OD1-N 2.89Å; D176-Q180 PolarHBondContact N-O 3.12Å; D176-Q180 VanDerWaalsContact N-O 3.16Å; D176-Q180 PolarHBondContact OD1-N 2.77Å; D176-Q180 VanDerWaalsContact OD1-N 3.11Å
177K87.3Confident87.7Confident138 Ų13851.9 Ų51.960%0.625%0.252SS*.THydrogen-bonded Turntrans-61.1-14175.967.3-177.9178.1-177.30115.6V144 Y241V144-K177 VanDerWaalsContact CG2-O 3.26Å; V144-K177 WeakPolarHBondContact CG2-O 3.35Å; K177-Y241 HydrophobicContact CB-CE2 4.23Å
178R85.8Confident88.3Confident169 Ų16950.5 Ų50.564%0.63824%0.243SC*.THydrogen-bonded Turntrans-101.67.6175.1-53.5179.5173.3-158.6-1.4111.8Y148 D176 Q180Y148-R178 VanDerWaalsContact CE1-O 3.3Å; Y148-R178 WeakPolarHBondContact CE1-O 3.32Å; Y148-R178 VanDerWaalsContact CE2-C 3.49Å; Y148-R178 PolarHBondContact OH-O 3.34Å; D176-R178 VanDerWaalsContact CG-N 3.29Å; D176-R178 PolarHBondContact O-N 2.83Å; D176-R178 VanDerWaalsContact O-N 3.1Å; D176-R178 WeakPolarHBondContact OD1-CA 3.43Å; D176-R178 VanDerWaalsContact OD1-CB 3.25Å; D176-R178 WeakPolarHBondContact OD1-CB 3.24Å; D176-R178 PolarHBondContact OD1-N 2.78Å; D176-R178 PolarHBondContact OD2-N 2.91Å; R178-Q180 HydrophobicContact CB-CG 4.29Å; R178-Q180 PolarHBondContact O-N 2.89Å
179G85.1Confident88.7Confident17 Ų1753.5 Ų53.518%0.17526%0.259CS..  trans6915-17800000114.2Y148 D176Y148-G179 VanDerWaalsContact CG-CA 3.49Å; D176-G179 PolarHBondContact O-N 3.2Å; D176-G179 PolarHBondContact OD1-N 2.89Å
180Q87.1Confident88.8Confident70 Ų7053.8 Ų53.833%0.32727%0.267SS..  trans-76.6140.9178.7-66.6-57-48.900110.3C175 D176 R178 L182C175-Q180 WeakPolarHBondContact CA-O 3.32Å; C175-Q180 WeakPolarHBondContact CB-O 3.41Å; D176-Q180 PolarHBondContact N-O 3.12Å; D176-Q180 VanDerWaalsContact N-O 3.16Å; D176-Q180 PolarHBondContact OD1-N 2.77Å; D176-Q180 VanDerWaalsContact OD1-N 3.11Å; R178-Q180 HydrophobicContact CB-CG 4.29Å; R178-Q180 PolarHBondContact O-N 2.89Å; Q180-L182 PolarHBondContact O-N 3.13Å
181P90.3Very high88.8Confident73 Ų7351.5 Ų51.547%0.47425%0.252SS..EExtended strand (participates in β ladder)trans-61.1124.2175.726-33.4000109.2
182L92.2Very high88.9Confident1 Ų154.2 Ų54.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-114.1139.5-176.3-176.872.3000109.1L174 Q180 L195 T197 Y238 V240L174-L182 HydrophobicContact CB-CB 4.09Å; L174-L182 WeakPolarHBondContact CB-O 3.16Å; L174-L182 PolarHBondContact N-O 2.99Å; L174-L182 PolarHBondContact O-N 3.17Å; Q180-L182 PolarHBondContact O-N 3.13Å; L182-L195 HydrophobicContact CD1-CB 4.13Å; L182-L195 HydrophobicContact CD2-CD2 4.21Å; L182-T197 HydrophobicContact CD1-CG2 3.63Å; L182-Y238 HydrophobicContact CD2-CE1 4.03Å; L182-V240 HydrophobicContact CD2-CB 4.3Å; L182-V240 HydrophobicContact CD2-CG1 3.94Å; L182-V240 HydrophobicContact CD2-CG2 3.64Å
183R91.5Very high89.1Confident153 Ų15350.5 Ų50.558%0.57725%0.245SC*.EExtended strand (participates in β ladder)trans-114.1124.7171.6-53.4-176.6178.1166.1-2108.4L171 L172 A196L171-R183 WeakPolarHBondContact O-CA 3.32Å; L172-R183 HydrophobicContact CD2-CB 4.1Å; L172-R183 HydrophobicContact CD2-CG 3.53Å; R183-A196 HydrophobicContact CB-CB 4.34Å; R183-A196 PolarHBondContact N-O 2.91Å; R183-A196 PolarHBondContact O-N 3.45Å
184L93.5Very high89.5Confident0 Ų052.8 Ų52.80%025%0.251CS..EExtended strand (participates in β ladder)trans-105.6127.1178.6-176.5155.1000108.8C170 L171 L174 I186 L193 W194 L195 F228 I251C170-L184 CarbonylContact C-O 3.55Å; C170-L184 WeakPolarHBondContact CA-O 3.44Å; L171-L184 HydrophobicContact CB-CB 4.37Å; L171-L184 HydrophobicContact CD1-CD2 4.37Å; L171-L184 PolarHBondContact N-O 3.18Å; L171-L184 PolarHBondContact O-N 3.21Å; L174-L184 HydrophobicContact CD1-CB 3.4Å; L174-L184 VanDerWaalsContact CD1-CB 3.4Å; L174-L184 HydrophobicContact CD1-CD1 4.3Å; L174-L184 HydrophobicContact CD1-CG 4.47Å; L184-I186 HydrophobicContact CD2-CD1 4.16Å; L184-I186 HydrophobicContact CD2-CG1 3.85Å; L184-L193 HydrophobicContact CD1-CD1 4.31Å; L184-L193 HydrophobicContact CD2-CD1 4.09Å; L184-L193 HydrophobicContact CG-CD1 3.92Å; L184-W194 WeakPolarHBondContact CA-O 3.49Å; L184-L195 HydrophobicContact CB-CD2 4.07Å; L184-L195 HydrophobicContact CD1-CD2 3.81Å; L184-L195 HydrophobicContact CG-CD2 3.83Å; L184-F228 HydrophobicContact CD1-CE2 3.91Å; L184-F228 HydrophobicContact CD1-CZ 3.73Å; L184-I251 HydrophobicContact CD2-CD1 4.49Å
185R91.8Very high89.6Confident81 Ų8152.8 Ų52.831%0.30625%0.251SS..EExtended strand (participates in β ladder)trans-134129.3174.3179.2174.8-179.61752109.8N168 K187 W194N168-R185 PolarHBondContact O-NE 2.95Å; N168-R185 PolarHBondContact OD1-NH2 3.46Å; R185-K187 HydrophobicContact CG-CG 4.43Å; R185-W194 HydrophobicContact CB-CB 4.29Å; R185-W194 PolarHBondContact N-O 2.81Å; R185-W194 PolarHBondContact O-N 3.21Å
186I90.3Very high89.6Confident2 Ų253.7 Ų53.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-104129174.3-58.5173.7000107.5L165 L184 L193 L206 I251 M254 V255L165-I186 HydrophobicContact CD2-CD1 4.32Å; L184-I186 HydrophobicContact CD2-CD1 4.16Å; L184-I186 HydrophobicContact CD2-CG1 3.85Å; I186-L193 HydrophobicContact CG1-CD1 3.78Å; I186-L206 HydrophobicContact CG2-CD1 4.24Å; I186-I251 HydrophobicContact CD1-CB 4.2Å; I186-I251 HydrophobicContact CD1-CG1 3.95Å; I186-I251 HydrophobicContact CD1-CG2 3.87Å; I186-M254 HydrophobicContact CB-CE 4.13Å; I186-M254 HydrophobicContact CD1-CB 4.48Å; I186-M254 HydrophobicContact CD1-SD 4.29Å; I186-M254 HydrophobicContact CG2-CE 3.78Å; I186-V255 HydrophobicContact CD1-CG2 4.29Å
187K88.9Confident89.7Confident39 Ų3954.4 Ų54.417%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-114.292.3172.5-69.3-177173.3-178.10108R185 D189 S190 G191 E192 W194R185-K187 HydrophobicContact CG-CG 4.43Å; K187-D189 PolarHBondContact O-N 2.89Å; K187-S190 WeakPolarHBondContact CB-OG 3.08Å; K187-S190 PolarHBondContact O-N 3.41Å; K187-G191 WeakPolarHBondContact O-CA 3.39Å; K187-G191 PolarHBondContact O-N 2.89Å; K187-E192 PolarHBondContact N-O 3.49Å; K187-E192 PolarHBondContact O-N 3.4Å; K187-W194 HydrophobicContact CD-CZ2 4.18Å
188P84.2Confident89.6Confident36 Ų3656 Ų5623%0.23427%0.27CS..THydrogen-bonded Turntrans-64-33.6179.126.6-29.4000111.1P167 S190 G191 M254 Y258P167-P188 HydrophobicContact CB-CG 3.54Å; P167-P188 WeakPolarHBondContact O-CD 3.02Å; P188-S190 PolarHBondContact O-N 3.29Å; P188-G191 PolarHBondContact O-N 2.85Å; P188-M254 HydrophobicContact CB-CE 4.47Å; P188-M254 HydrophobicContact CG-CE 4.07Å; P188-Y258 VanDerWaalsContact O-CE2 3.32Å; P188-Y258 WeakPolarHBondContact O-CE2 3.11Å
189D85.7Confident89.8Confident136 Ų13654 Ų5473%0.72727%0.272SS*.THydrogen-bonded Turntrans-61.6-44.5179.1-57.4-32.9000112.8K187K187-D189 PolarHBondContact O-N 2.89Å
190S86.8Confident90Very high60 Ų6056.5 Ų56.542%0.4228%0.284SS..THydrogen-bonded Turntrans-88.2-10.6177.666.50000113K187 P188K187-S190 WeakPolarHBondContact CB-OG 3.08Å; K187-S190 PolarHBondContact O-N 3.41Å; P188-S190 PolarHBondContact O-N 3.29Å
191G88.7Confident90.3Very high3 Ų356.6 Ų56.63%0.03129%0.289CS..THydrogen-bonded Turntrans6736.5-174.500000113.8K187 P188 P205 L206 Y258K187-G191 WeakPolarHBondContact O-CA 3.39Å; K187-G191 PolarHBondContact O-N 2.89Å; P188-G191 PolarHBondContact O-N 2.85Å; G191-P205 CarbonylContact O-C 3.52Å; G191-P205 WeakPolarHBondContact O-CA 3.12Å; G191-L206 PolarHBondContact O-N 2.95Å; G191-Y258 VanDerWaalsContact CA-CE2 3.46Å; G191-Y258 VanDerWaalsContact CA-OH 3.32Å; G191-Y258 WeakPolarHBondContact CA-OH 3.46Å
192E91.6Very high90.3Very high58 Ų5856.9 Ų56.927%0.27128%0.284SS..EExtended strand (participates in β ladder)trans-126138.6-177.2-59.5-176.2151.500112.2K187 W194 F204K187-E192 PolarHBondContact N-O 3.49Å; K187-E192 PolarHBondContact O-N 3.4Å; E192-W194 PolarHBondContact OE2-NE1 2.82Å; E192-F204 CarbonylContact C-O 3.5Å; E192-F204 WeakPolarHBondContact CA-O 3.15Å
193L92.3Very high90.4Very high0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-98123.9164.6171.768000108.8L184 I186 L195 K203 F204 L206 I209 F228L184-L193 HydrophobicContact CD1-CD1 4.31Å; L184-L193 HydrophobicContact CD2-CD1 4.09Å; L184-L193 HydrophobicContact CG-CD1 3.92Å; I186-L193 HydrophobicContact CG1-CD1 3.78Å; L193-L195 HydrophobicContact CD1-CD2 4.35Å; L193-L195 HydrophobicContact CD2-CD1 4.16Å; L193-L195 HydrophobicContact CD2-CG 4.28Å; L193-L195 HydrophobicContact CG-CD2 4.46Å; L193-L195 HydrophobicContact CG-CG 4.16Å; L193-K203 WeakPolarHBondContact O-CA 3.25Å; L193-F204 HydrophobicContact CB-CB 4.44Å; L193-F204 PolarHBondContact N-O 3.29Å; L193-F204 PolarHBondContact O-N 3.28Å; L193-L206 HydrophobicContact CB-CD2 3.83Å; L193-I209 HydrophobicContact CB-CD1 4.05Å; L193-I209 HydrophobicContact CD2-CD1 3.58Å; L193-I209 HydrophobicContact CG-CD1 4.46Å; L193-F228 HydrophobicContact CD2-CD1 3.73Å; L193-F228 HydrophobicContact CD2-CD2 4.31Å; L193-F228 HydrophobicContact CD2-CE1 3.87Å; L193-F228 HydrophobicContact CD2-CE2 4.43Å; L193-F228 HydrophobicContact CD2-CG 3.97Å; L193-F228 HydrophobicContact CD2-CZ 4.22Å
194W93.7Very high90.4Very high57 Ų5756.8 Ų56.822%0.21629%0.288CS..EExtended strand (participates in β ladder)trans-107.4123177.6-69.222000109.3L184 R185 K187 E192 H202 K203L184-W194 WeakPolarHBondContact CA-O 3.49Å; R185-W194 HydrophobicContact CB-CB 4.29Å; R185-W194 PolarHBondContact N-O 2.81Å; R185-W194 PolarHBondContact O-N 3.21Å; K187-W194 HydrophobicContact CD-CZ2 4.18Å; E192-W194 PolarHBondContact OE2-NE1 2.82Å; W194-H202 WeakPolarHBondContact CA-O 3.22Å; W194-K203 HydrophobicContact CD2-CD 4.45Å; W194-K203 HydrophobicContact CD2-CG 4.23Å; W194-K203 HydrophobicContact CG-CG 4.15Å; W194-K203 HydrophobicContact CZ2-CD 3.96Å
195L93.2Very high90.3Very high0 Ų059.7 Ų59.70%031%0.307CS..EExtended strand (participates in β ladder)trans-116.798.2175.7-66.7176.6000107.8L182 L184 L193 H202 F204 Y238 V240L182-L195 HydrophobicContact CD1-CB 4.13Å; L182-L195 HydrophobicContact CD2-CD2 4.21Å; L184-L195 HydrophobicContact CB-CD2 4.07Å; L184-L195 HydrophobicContact CD1-CD2 3.81Å; L184-L195 HydrophobicContact CG-CD2 3.83Å; L193-L195 HydrophobicContact CD1-CD2 4.35Å; L193-L195 HydrophobicContact CD2-CD1 4.16Å; L193-L195 HydrophobicContact CD2-CG 4.28Å; L193-L195 HydrophobicContact CG-CD2 4.46Å; L193-L195 HydrophobicContact CG-CG 4.16Å; L195-H202 PolarHBondContact N-O 3.33Å; L195-H202 PolarHBondContact O-N 3.04Å; L195-F204 HydrophobicContact CB-CE2 4.44Å; L195-F204 HydrophobicContact CD1-CD2 3.97Å; L195-F204 HydrophobicContact CD1-CE2 3.79Å; L195-F204 HydrophobicContact CG-CD2 4.45Å; L195-F204 HydrophobicContact CG-CE2 4.45Å; L195-Y238 HydrophobicContact CD1-CD1 3.55Å; L195-Y238 HydrophobicContact CD1-CD2 4.34Å; L195-Y238 HydrophobicContact CD1-CE1 3.7Å; L195-Y238 HydrophobicContact CD1-CE2 4.46Å; L195-Y238 HydrophobicContact CD1-CG 3.89Å; L195-V240 HydrophobicContact CD2-CG2 4.34Å
196A92.6Very high90.2Very high22 Ų2255.9 Ų55.918%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-104.9115.6-173.700000111.4R183 T201R183-A196 HydrophobicContact CB-CB 4.34Å; R183-A196 PolarHBondContact N-O 2.91Å; R183-A196 PolarHBondContact O-N 3.45Å; A196-T201 HydrophobicContact CB-CG2 4.01Å; A196-T201 WeakPolarHBondContact CB-OG1 3.47Å
197T90.9Very high90Very high27 Ų2758.6 Ų58.617%0.16632%0.315CS..  trans-94.9175.6166.563.20000109.7L182 D199 V200L182-T197 HydrophobicContact CD1-CG2 3.63Å; T197-D199 PolarHBondContact O-N 3.42Å; T197-V200 PolarHBondContact N-O 3.33Å; T197-V200 PolarHBondContact OG1-N 3.43Å; T197-V200 VanDerWaalsContact OG1-N 3.11Å; T197-V200 PolarHBondContact OG1-O 3.46Å
198K86.6Confident89.9Confident173 Ų17359.6 Ų59.675%0.75233%0.325SS*.SBendtrans-57-36.8175.5-172.3179.8178.1-176.50112.8
199D88.4Confident90.2Very high127 Ų12757.9 Ų57.968%0.67931%0.314SS*.SBendtrans-98.5-34.9-171.6-53.8-43.8000112.7T197T197-D199 PolarHBondContact O-N 3.42Å
200V90.9Very high90.2Very high68 Ų6856 Ų5641%0.41230%0.3SS..  trans-140.1137.9-171.7-177.80000111.3T197 H202T197-V200 PolarHBondContact N-O 3.33Å; T197-V200 PolarHBondContact OG1-N 3.43Å; T197-V200 VanDerWaalsContact OG1-N 3.11Å; T197-V200 PolarHBondContact OG1-O 3.46Å; V200-H202 WeakPolarHBondContact CG1-NE2 3.22Å
201T92.3Very high90.3Very high72 Ų7255.3 Ų55.344%0.44229%0.292SS..EExtended strand (participates in β ladder)trans-106.5116.8167-60.80000110.2A196 K203A196-T201 HydrophobicContact CB-CG2 4.01Å; A196-T201 WeakPolarHBondContact CB-OG1 3.47Å; T201-K203 HydrophobicContact CG2-CG 4.45Å
202H91.4Very high90.4Very high79 Ų7955.5 Ų55.537%0.36629%0.292SS..EExtended strand (participates in β ladder)trans-94.8129.6172.3-65.1-73.8000110.2W194 L195 V200 F204W194-H202 WeakPolarHBondContact CA-O 3.22Å; L195-H202 PolarHBondContact N-O 3.33Å; L195-H202 PolarHBondContact O-N 3.04Å; V200-H202 WeakPolarHBondContact CG1-NE2 3.22Å; H202-F204 HydrophobicContact CB-CD2 4.23Å; H202-F204 HydrophobicContact CB-CE1 4.49Å; H202-F204 HydrophobicContact CB-CE2 3.38Å; H202-F204 HydrophobicContact CB-CZ 3.55Å
203K93.4Very high90.5Very high115 Ų11555 Ų5550%0.529%0.293SS..EExtended strand (participates in β ladder)trans-110.6121174.2-56.9179.9-175.3175.20108L193 W194 T201L193-K203 WeakPolarHBondContact O-CA 3.25Å; W194-K203 HydrophobicContact CD2-CD 4.45Å; W194-K203 HydrophobicContact CD2-CG 4.23Å; W194-K203 HydrophobicContact CG-CG 4.15Å; W194-K203 HydrophobicContact CZ2-CD 3.96Å; T201-K203 HydrophobicContact CG2-CG 4.45Å
204F91.6Very high90.5Very high38 Ų3855.9 Ų55.917%0.16730%0.299CS..EExtended strand (participates in β ladder)trans-115.4122179-61.4-69.3000108.6E192 L193 L195 H202 L206 L230E192-F204 CarbonylContact C-O 3.5Å; E192-F204 WeakPolarHBondContact CA-O 3.15Å; L193-F204 HydrophobicContact CB-CB 4.44Å; L193-F204 PolarHBondContact N-O 3.29Å; L193-F204 PolarHBondContact O-N 3.28Å; L195-F204 HydrophobicContact CB-CE2 4.44Å; L195-F204 HydrophobicContact CD1-CD2 3.97Å; L195-F204 HydrophobicContact CD1-CE2 3.79Å; L195-F204 HydrophobicContact CG-CD2 4.45Å; L195-F204 HydrophobicContact CG-CE2 4.45Å; H202-F204 HydrophobicContact CB-CD2 4.23Å; H202-F204 HydrophobicContact CB-CE1 4.49Å; H202-F204 HydrophobicContact CB-CE2 3.38Å; H202-F204 HydrophobicContact CB-CZ 3.55Å; F204-L206 PolarHBondContact O-N 2.85Å; F204-L230 HydrophobicContact CB-CD2 4.16Å; F204-L230 HydrophobicContact CD1-CD1 3.83Å; F204-L230 HydrophobicContact CD1-CD2 3.92Å; F204-L230 HydrophobicContact CD1-CG 4.42Å; F204-L230 HydrophobicContact CD2-CD1 4.32Å; F204-L230 HydrophobicContact CD2-CD2 4.26Å; F204-L230 HydrophobicContact CE1-CD1 3.44Å; F204-L230 VanDerWaalsContact CE1-CD1 3.44Å; F204-L230 HydrophobicContact CE1-CD2 4.41Å; F204-L230 HydrophobicContact CE1-CG 4.47Å; F204-L230 HydrophobicContact CE2-CD1 3.95Å; F204-L230 HydrophobicContact CG-CD1 4.25Å; F204-L230 HydrophobicContact CG-CD2 3.84Å; F204-L230 HydrophobicContact CZ-CD1 3.49Å; F204-L230 VanDerWaalsContact CZ-CD1 3.49Å
205P90.7Very high90.4Very high60 Ų6054.7 Ų54.739%0.3930%0.296SS..EExtended strand (participates in β ladder)trans-59.8132170.8-17.930000109.4G191 A207 T208G191-P205 CarbonylContact O-C 3.52Å; G191-P205 WeakPolarHBondContact O-CA 3.12Å; P205-A207 PolarHBondContact O-N 3.37Å; P205-A207 VanDerWaalsContact O-N 3.1Å; P205-T208 HydrophobicContact CB-CG2 4.15Å; P205-T208 HydrophobicContact CG-CG2 4.16Å; P205-T208 PolarHBondContact O-N 2.71Å; P205-T208 PolarHBondContact O-OG1 3.41Å
206L89.7Confident90.3Very high1 Ų158 Ų581%0.00532%0.318CS..G310 helixtrans-57.2-29.3178.7-69.1-179.8000111.5I186 G191 L193 F204 T208 I209 V255 Y258I186-L206 HydrophobicContact CG2-CD1 4.24Å; G191-L206 PolarHBondContact O-N 2.95Å; L193-L206 HydrophobicContact CB-CD2 3.83Å; F204-L206 PolarHBondContact O-N 2.85Å; L206-T208 VanDerWaalsContact C-N 3.27Å; L206-T208 PolarHBondContact O-N 3.03Å; L206-I209 HydrophobicContact CD2-CD1 4.02Å; L206-I209 PolarHBondContact O-N 3.25Å; L206-V255 HydrophobicContact CD2-CB 4.42Å; L206-V255 HydrophobicContact CD2-CG1 4.24Å; L206-V255 HydrophobicContact CD2-CG2 3.92Å; L206-Y258 HydrophobicContact CB-CD1 3.38Å; L206-Y258 HydrophobicContact CB-CE1 3.93Å; L206-Y258 HydrophobicContact CB-CG 3.85Å; L206-Y258 HydrophobicContact CD1-CD1 4.09Å; L206-Y258 HydrophobicContact CD1-CD2 3.94Å; L206-Y258 HydrophobicContact CD1-CG 3.67Å; L206-Y258 HydrophobicContact CG-CD1 4.36Å; L206-Y258 HydrophobicContact CG-CG 4.42Å
207A86.8Confident90.1Very high60 Ų6057.2 Ų57.250%0.49631%0.311SS..G310 helixtrans-62.2-26.9173.900000114.3P205 I209P205-A207 PolarHBondContact O-N 3.37Å; P205-A207 VanDerWaalsContact O-N 3.1Å; A207-I209 VanDerWaalsContact C-N 3.35Å
208T86.9Confident89.9Confident59 Ų5961.1 Ų61.136%0.36233%0.325SS..G310 helixtrans-83.7-12.3178.663.50000113P205 L206 H210P205-T208 HydrophobicContact CB-CG2 4.15Å; P205-T208 HydrophobicContact CG-CG2 4.16Å; P205-T208 PolarHBondContact O-N 2.71Å; P205-T208 PolarHBondContact O-OG1 3.41Å; L206-T208 VanDerWaalsContact C-N 3.27Å; L206-T208 PolarHBondContact O-N 3.03Å; T208-H210 PolarHBondContact O-N 3.18Å
209I90.1Very high89.8Confident1 Ų156.4 Ų56.41%0.00533%0.325CS..  trans-80.8109.7-180-51.5-178.7000108.2L193 L206 A207 D211 V212 F228 L230 V255L193-I209 HydrophobicContact CB-CD1 4.05Å; L193-I209 HydrophobicContact CD2-CD1 3.58Å; L193-I209 HydrophobicContact CG-CD1 4.46Å; L206-I209 HydrophobicContact CD2-CD1 4.02Å; L206-I209 PolarHBondContact O-N 3.25Å; A207-I209 VanDerWaalsContact C-N 3.35Å; I209-D211 WeakPolarHBondContact CG2-O 3.4Å; I209-V212 HydrophobicContact CG2-CG2 3.78Å; I209-F228 HydrophobicContact CD1-CD1 4.31Å; I209-F228 HydrophobicContact CG2-CB 4.45Å; I209-F228 HydrophobicContact CG2-CD1 4.44Å; I209-L230 HydrophobicContact CG1-CD2 4.05Å; I209-V255 HydrophobicContact CB-CG1 3.92Å; I209-V255 HydrophobicContact CD1-CG1 3.91Å; I209-V255 HydrophobicContact CG1-CG1 4.47Å; I209-V255 HydrophobicContact CG2-CG1 3.82Å
210H85.4Confident89.8Confident96 Ų9653.7 Ų53.744%0.44431%0.308SS..  trans-74.4-38.2-176.8-69.9-76000112.3T208 Q229 G231 K259T208-H210 PolarHBondContact O-N 3.18Å; H210-Q229 HydrophobicContact CB-CB 4.39Å; H210-Q229 HydrophobicContact CB-CG 3.98Å; H210-Q229 PolarHBondContact N-O 3.39Å; H210-G231 PolarHBondContact CD2-O 3.42Å; H210-K259 PolarHBondContact O-NZ 3.32Å
211D89.2Confident89.7Confident46 Ų4653.5 Ų53.525%0.24631%0.308CS..  trans-156.6153.4-170.7-157.7-1.8000110.4R40 I209 Q229R40-D211 IonicContact NH2-OD2 3.15Å; R40-D211 PolarHBondContact NH2-OD2 2.82Å; R40-D211 VanDerWaalsContact NH2-OD2 3.15Å; I209-D211 WeakPolarHBondContact CG2-O 3.4Å; D211-Q229 HydrophobicContact CB-CB 3.83Å; D211-Q229 HydrophobicContact CB-CG 4.3Å; D211-Q229 VanDerWaalsContact O-CB 3.27Å; D211-Q229 WeakPolarHBondContact O-CB 3.12Å; D211-Q229 PolarHBondContact O-N 3.25Å
212V91.7Very high89.7Confident6 Ų652.1 Ų52.14%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-134.2112.5175.3-175.50000108.5I209 M226 A227 F228 K252 V255I209-V212 HydrophobicContact CG2-CG2 3.78Å; V212-M226 HydrophobicContact CG1-CE 4.19Å; V212-M226 HydrophobicContact CG1-CG 3.87Å; V212-M226 HydrophobicContact CG1-SD 3.82Å; V212-A227 WeakPolarHBondContact CA-O 3.48Å; V212-F228 HydrophobicContact CG1-CD1 4.01Å; V212-F228 HydrophobicContact CG1-CE1 3.86Å; V212-F228 HydrophobicContact CG2-CD1 3.78Å; V212-F228 HydrophobicContact CG2-CE1 4.14Å; V212-K252 HydrophobicContact CB-CG 4.28Å; V212-K252 HydrophobicContact CG1-CG 3.96Å; V212-V255 HydrophobicContact CG2-CB 4.01Å; V212-V255 HydrophobicContact CG2-CG1 3.61Å; V212-V255 HydrophobicContact CG2-CG2 4.45Å
213V91.7Very high89.7Confident48 Ų4848.5 Ų48.529%0.29128%0.28SS..EExtended strand (participates in β ladder)trans-115.3142.3-176.2-169.30000108.7W135 M226 A227W135-V213 HydrophobicContact CH2-CB 3.83Å; W135-V213 HydrophobicContact CH2-CG1 4Å; W135-V213 HydrophobicContact CZ2-CB 4.24Å; W135-V213 HydrophobicContact CZ2-CG1 4.16Å; V213-M226 CarbonylContact O-C 3.53Å; V213-M226 WeakPolarHBondContact O-CA 3.48Å; V213-A227 PolarHBondContact N-O 3.46Å; V213-A227 PolarHBondContact O-N 2.93Å
214S92.5Very high89.7Confident18 Ų1844.6 Ų44.613%0.12626%0.264CS..EExtended strand (participates in β ladder)trans-136.7150.1175.267.10000111.7I225 V248 K252S214-I225 CarbonylContact C-O 3.24Å; S214-I225 WeakPolarHBondContact CA-O 3.45Å; S214-V248 WeakPolarHBondContact OG-CG1 3.36Å; S214-K252 WeakPolarHBondContact OG-CE 3.22Å; S214-K252 PolarHBondContact OG-NZ 3.34Å
215Q92Very high89.8Confident32 Ų3242.8 Ų42.815%0.1526%0.256CS..EExtended strand (participates in β ladder)trans-139.8141.9176.6-70.5-172.5-23.200110.3W135 H224 I225W135-Q215 HydrophobicContact CD2-CG 4.42Å; W135-Q215 HydrophobicContact CE3-CB 4.32Å; W135-Q215 HydrophobicContact CE3-CG 4.42Å; Q215-H224 CarbonylContact O-C 3.59Å; Q215-H224 VanDerWaalsContact O-CA 3.24Å; Q215-H224 WeakPolarHBondContact O-CA 3.35Å; Q215-H224 WeakPolarHBondContact O-CB 3.37Å; Q215-I225 PolarHBondContact N-O 2.98Å; Q215-I225 PolarHBondContact O-N 3.46Å
216P90.8Very high89.9Confident71 Ų7140 Ų4046%0.46124%0.237SC..EExtended strand (participates in β ladder)trans-66149177.228.1-33.9000111.4S136S136-P216 PolarHBondContact OG-O 3.19Å
217I89.8Confident90.1Very high5 Ų540 Ų403%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-81.3132.7176.4-65.7171.9000109.1L145 G219 H220 Y223 I225 W242L145-I217 HydrophobicContact CD1-CG2 3.84Å; L145-I217 HydrophobicContact CD2-CD1 3.91Å; L145-I217 HydrophobicContact CD2-CG1 4.34Å; L145-I217 HydrophobicContact CD2-CG2 4.03Å; I217-G219 PolarHBondContact O-N 3.15Å; I217-H220 HydrophobicContact CB-CB 4.24Å; I217-H220 HydrophobicContact CG2-CB 4.17Å; I217-H220 CarbonylContact O-C 3.58Å; I217-H220 VanDerWaalsContact O-C 3.24Å; I217-H220 PolarHBondContact O-N 3.37Å; I217-Y223 PolarHBondContact N-O 2.72Å; I217-I225 HydrophobicContact CD1-CG1 4.15Å; I217-I225 HydrophobicContact CG1-CD1 4.32Å; I217-I225 HydrophobicContact CG1-CG1 3.6Å; I217-W242 HydrophobicContact CD1-CD2 3.98Å; I217-W242 HydrophobicContact CD1-CE3 3.88Å; I217-W242 HydrophobicContact CD1-CG 4.44Å; I217-W242 HydrophobicContact CD1-CZ3 4.26Å
218K85Confident90.4Very high109 Ų10937.1 Ų37.147%0.47421%0.214SC..THydrogen-bonded Turntrans-61.1126.3175.7-75.1-174.4-178.4-163.50110.8D134 S136 D137 H220D134-K218 WeakPolarHBondContact OD2-CE 3.4Å; D134-K218 IonicContact OD2-NZ 3.7Å; S136-K218 PolarHBondContact OG-N 3.1Å; D137-K218 VanDerWaalsContact OD1-CE 3.32Å; D137-K218 WeakPolarHBondContact OD1-CE 3.16Å; D137-K218 IonicContact OD1-NZ 2.67Å; D137-K218 PolarHBondContact OD1-NZ 3.08Å; D137-K218 WeakPolarHBondContact OD2-CE 3.36Å; D137-K218 IonicContact OD2-NZ 2.62Å; D137-K218 PolarHBondContact OD2-NZ 3.42Å; K218-H220 VanDerWaalsContact C-N 3.27Å; K218-H220 PolarHBondContact O-N 2.91Å
219G85.7Confident90.7Very high73 Ų7335.2 Ų35.275%0.75320%0.201SC*.THydrogen-bonded Turntrans86-14.4-176.100000114.9I217I217-G219 PolarHBondContact O-N 3.15Å
220H88.4Confident90.6Very high70 Ų7037 Ų3732%0.32421%0.211SC..EExtended strand (participates in β ladder)trans-13570.3-179-73.8-68.7000110.5I217 K218 E222 Y223 W242I217-H220 HydrophobicContact CB-CB 4.24Å; I217-H220 HydrophobicContact CG2-CB 4.17Å; I217-H220 CarbonylContact O-C 3.58Å; I217-H220 VanDerWaalsContact O-C 3.24Å; I217-H220 PolarHBondContact O-N 3.37Å; K218-H220 VanDerWaalsContact C-N 3.27Å; K218-H220 PolarHBondContact O-N 2.91Å; H220-E222 VanDerWaalsContact C-OE2 3.25Å; H220-E222 WeakPolarHBondContact CA-OE2 3.45Å; H220-E222 IonicContact CG-OE1 3.94Å; H220-E222 IonicContact ND1-OE1 3.11Å; H220-E222 PolarHBondContact ND1-OE1 2.96Å; H220-E222 VanDerWaalsContact ND1-OE1 3.11Å; H220-E222 PolarHBondContact O-N 3.1Å; H220-E222 VanDerWaalsContact O-N 3.17Å; H220-Y223 HydrophobicContact CB-CD2 4.13Å; H220-Y223 PolarHBondContact O-N 3.08Å; H220-W242 HydrophobicContact CB-CZ3 4Å; H220-W242 AromaticContact CD2-CH2 3.65Å; H220-W242 AromaticContact CD2-CZ3 3.65Å; H220-W242 AromaticContact CG-CZ3 3.75Å
221P88.2Confident90.6Very high64 Ų6432.9 Ų32.942%0.41619%0.194SC..EExtended strand (participates in β ladder)trans-60.5-25.3-178.525.3-33.8000112.8L159 Y223L159-P221 HydrophobicContact CD1-CB 4.24Å; L159-P221 HydrophobicContact CD1-CG 3.92Å; L159-P221 VanDerWaalsContact CD2-C 3.45Å; L159-P221 HydrophobicContact CD2-CB 4.08Å; L159-P221 VanDerWaalsContact CD2-O 3.27Å; L159-P221 WeakPolarHBondContact CD2-O 3.3Å; P221-Y223 PolarHBondContact O-N 3.11Å
222E91.4Very high90.3Very high44 Ų4436.5 Ų36.521%0.20622%0.22CC..EExtended strand (participates in β ladder)trans-69.3-7.6176.275.4-77.5-174.300113.5G157 L159 H220 S245G157-E222 WeakPolarHBondContact CA-O 3.41Å; L159-E222 HydrophobicContact CD1-CB 4.23Å; L159-E222 HydrophobicContact CD2-CB 4.26Å; L159-E222 HydrophobicContact CG-CB 3.83Å; H220-E222 VanDerWaalsContact C-OE2 3.25Å; H220-E222 WeakPolarHBondContact CA-OE2 3.45Å; H220-E222 IonicContact CG-OE1 3.94Å; H220-E222 IonicContact ND1-OE1 3.11Å; H220-E222 PolarHBondContact ND1-OE1 2.96Å; H220-E222 VanDerWaalsContact ND1-OE1 3.11Å; H220-E222 PolarHBondContact O-N 3.1Å; H220-E222 VanDerWaalsContact O-N 3.17Å; E222-S245 PolarHBondContact O-N 2.99Å; E222-S245 PolarHBondContact O-OG 3.1Å
223Y92.5Very high90Very high2 Ų239.5 Ų39.51%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-125.6142.6177.1-65.5-72.9000111.8K150 M155 G157 I217 H220 P221 W242 L243 P244K150-Y223 HydrophobicContact CD-CE2 4.17Å; K150-Y223 VanDerWaalsContact CE-CZ 3.49Å; K150-Y223 WeakPolarHBondContact CE-OH 3.37Å; K150-Y223 PolarHBondContact NZ-OH 3.28Å; M155-Y223 VanDerWaalsContact O-CE1 3.24Å; M155-Y223 WeakPolarHBondContact O-CE1 2.96Å; M155-Y223 PolarHBondContact O-OH 3.5Å; G157-Y223 PolarHBondContact N-OH 2.94Å; I217-Y223 PolarHBondContact N-O 2.72Å; H220-Y223 HydrophobicContact CB-CD2 4.13Å; H220-Y223 PolarHBondContact O-N 3.08Å; P221-Y223 PolarHBondContact O-N 3.11Å; Y223-W242 HydrophobicContact CD1-CB 4.38Å; Y223-W242 HydrophobicContact CD1-CE3 4.4Å; Y223-W242 WeakPolarHBondContact CD1-O 3.36Å; Y223-W242 AromaticContact CD2-CE3 3.89Å; Y223-W242 HydrophobicContact CD2-CE3 3.89Å; Y223-W242 HydrophobicContact CD2-CZ3 4.14Å; Y223-W242 AromaticContact CG-CE3 3.8Å; Y223-W242 HydrophobicContact CG-CE3 3.8Å; Y223-W242 HydrophobicContact CG-CZ3 4.43Å; Y223-L243 CarbonylContact C-O 3.58Å; Y223-L243 WeakPolarHBondContact CA-O 3.33Å; Y223-P244 HydrophobicContact CE1-CG 4.38Å
224H93Very high89.5Confident34 Ų3441.1 Ų41.116%0.15725%0.25CS..EExtended strand (participates in β ladder)trans-120.9151.6179.3-77.4-124.4000111.3Q215 W242 L243 V248Q215-H224 CarbonylContact O-C 3.59Å; Q215-H224 VanDerWaalsContact O-CA 3.24Å; Q215-H224 WeakPolarHBondContact O-CA 3.35Å; Q215-H224 WeakPolarHBondContact O-CB 3.37Å; H224-W242 PolarHBondContact O-N 2.97Å; H224-L243 PolarHBondContact N-O 2.9Å; H224-L243 WeakPolarHBondContact O-CB 3.21Å; H224-L243 PolarHBondContact O-N 2.84Å; H224-V248 HydrophobicContact CB-CG2 3.86Å
225I93.5Very high89.1Confident0 Ų049.8 Ų49.80%029%0.285CS..EExtended strand (participates in β ladder)trans-88.1127.9159.1-49.8178.8000106.7W135 H141 L145 S214 Q215 I217 F239 V240 Y241W135-I225 HydrophobicContact CB-CD1 4.09Å; W135-I225 HydrophobicContact CE3-CB 3.87Å; W135-I225 HydrophobicContact CE3-CG2 3.6Å; W135-I225 HydrophobicContact CZ3-CB 4.41Å; W135-I225 HydrophobicContact CZ3-CG2 4.07Å; H141-I225 HydrophobicContact CB-CD1 4.11Å; L145-I225 HydrophobicContact CD1-CD1 4.28Å; S214-I225 CarbonylContact C-O 3.24Å; S214-I225 WeakPolarHBondContact CA-O 3.45Å; Q215-I225 PolarHBondContact N-O 2.98Å; Q215-I225 PolarHBondContact O-N 3.46Å; I217-I225 HydrophobicContact CD1-CG1 4.15Å; I217-I225 HydrophobicContact CG1-CD1 4.32Å; I217-I225 HydrophobicContact CG1-CG1 3.6Å; I225-F239 HydrophobicContact CG2-CD1 4.21Å; I225-V240 CarbonylContact C-O 3.5Å; I225-V240 WeakPolarHBondContact CA-O 3.35Å; I225-Y241 HydrophobicContact CD1-CD1 4.01Å; I225-Y241 HydrophobicContact CD1-CE1 4.08Å; I225-Y241 HydrophobicContact CG1-CD1 3.95Å; I225-Y241 HydrophobicContact CG1-CE1 4.44Å; I225-Y241 HydrophobicContact CG2-CD1 3.97Å; I225-Y241 HydrophobicContact CG2-CE1 4.04Å
226M94.1Very high88.9Confident0 Ų050.4 Ų50.40%029%0.293CS..EExtended strand (participates in β ladder)trans-116.6134175.9-178.2173.1-82.300110V212 V213 F228 F239 V240 L243 V248 I251 K252V212-M226 HydrophobicContact CG1-CE 4.19Å; V212-M226 HydrophobicContact CG1-CG 3.87Å; V212-M226 HydrophobicContact CG1-SD 3.82Å; V213-M226 CarbonylContact O-C 3.53Å; V213-M226 WeakPolarHBondContact O-CA 3.48Å; M226-F228 HydrophobicContact CG-CE1 4.49Å; M226-F228 HydrophobicContact CG-CE2 4.01Å; M226-F228 HydrophobicContact CG-CZ 3.94Å; M226-F228 HydrophobicContact SD-CE1 3.92Å; M226-F228 HydrophobicContact SD-CE2 3.97Å; M226-F228 HydrophobicContact SD-CZ 3.35Å; M226-F228 WeakPolarHBondContact SD-CZ 3.47Å; M226-F239 CarbonylContact O-C 3.58Å; M226-F239 WeakPolarHBondContact O-CA 3.48Å; M226-V240 PolarHBondContact N-O 3.35Å; M226-V240 PolarHBondContact O-N 3.36Å; M226-L243 HydrophobicContact CB-CD2 3.76Å; M226-L243 HydrophobicContact CE-CD2 3.34Å; M226-L243 HydrophobicContact CG-CD2 4.26Å; M226-L243 HydrophobicContact SD-CD2 3.53Å; M226-L243 VanDerWaalsContact SD-CD2 3.53Å; M226-V248 HydrophobicContact CE-CB 4.29Å; M226-V248 HydrophobicContact CE-CG1 3.94Å; M226-V248 HydrophobicContact CE-CG2 4.46Å; M226-I251 HydrophobicContact CE-CB 4.13Å; M226-I251 HydrophobicContact CE-CD1 4.44Å; M226-I251 HydrophobicContact CE-CG2 3.99Å; M226-I251 HydrophobicContact SD-CB 4.32Å; M226-I251 HydrophobicContact SD-CD1 4.4Å; M226-I251 HydrophobicContact SD-CG2 3.61Å; M226-K252 HydrophobicContact CE-CG 4.31Å
227A93.4Very high88.9Confident2 Ų250.9 Ų50.92%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-117.7125.3174.900000111.6W135 V212 V213 R237 Y238 F239W135-A227 HydrophobicContact CH2-CB 3.19Å; W135-A227 HydrophobicContact CZ2-CB 3.97Å; W135-A227 HydrophobicContact CZ3-CB 3.65Å; V212-A227 WeakPolarHBondContact CA-O 3.48Å; V213-A227 PolarHBondContact N-O 3.46Å; V213-A227 PolarHBondContact O-N 2.93Å; A227-R237 HydrophobicContact CB-CB 4.25Å; A227-R237 HydrophobicContact CB-CG 4.36Å; A227-Y238 WeakPolarHBondContact CA-O 3.27Å; A227-F239 HydrophobicContact CB-CD1 3.56Å; A227-F239 HydrophobicContact CB-CE1 3.55Å; A227-F239 HydrophobicContact CB-CG 4.35Å; A227-F239 HydrophobicContact CB-CZ 4.32Å
228F93.2Very high89Confident0 Ų052.5 Ų52.50%029%0.292CS..EExtended strand (participates in β ladder)trans-94.1119.7172.1-60.1-83.9000109.6L184 L193 I209 V212 M226 L230 R237 Y238 V240 I251 V255L184-F228 HydrophobicContact CD1-CE2 3.91Å; L184-F228 HydrophobicContact CD1-CZ 3.73Å; L193-F228 HydrophobicContact CD2-CD1 3.73Å; L193-F228 HydrophobicContact CD2-CD2 4.31Å; L193-F228 HydrophobicContact CD2-CE1 3.87Å; L193-F228 HydrophobicContact CD2-CE2 4.43Å; L193-F228 HydrophobicContact CD2-CG 3.97Å; L193-F228 HydrophobicContact CD2-CZ 4.22Å; I209-F228 HydrophobicContact CD1-CD1 4.31Å; I209-F228 HydrophobicContact CG2-CB 4.45Å; I209-F228 HydrophobicContact CG2-CD1 4.44Å; V212-F228 HydrophobicContact CG1-CD1 4.01Å; V212-F228 HydrophobicContact CG1-CE1 3.86Å; V212-F228 HydrophobicContact CG2-CD1 3.78Å; V212-F228 HydrophobicContact CG2-CE1 4.14Å; M226-F228 HydrophobicContact CG-CE1 4.49Å; M226-F228 HydrophobicContact CG-CE2 4.01Å; M226-F228 HydrophobicContact CG-CZ 3.94Å; M226-F228 HydrophobicContact SD-CE1 3.92Å; M226-F228 HydrophobicContact SD-CE2 3.97Å; M226-F228 HydrophobicContact SD-CZ 3.35Å; M226-F228 WeakPolarHBondContact SD-CZ 3.47Å; F228-L230 HydrophobicContact CB-CD2 4.17Å; F228-L230 PolarHBondContact O-N 2.78Å; F228-R237 CarbonylContact O-C 3.56Å; F228-R237 VanDerWaalsContact O-CA 3.32Å; F228-R237 WeakPolarHBondContact O-CA 3.27Å; F228-Y238 PolarHBondContact N-O 3.35Å; F228-Y238 PolarHBondContact O-N 2.93Å; F228-V240 HydrophobicContact CD2-CG2 4.14Å; F228-V240 HydrophobicContact CE2-CB 4.48Å; F228-V240 HydrophobicContact CE2-CG2 3.77Å; F228-I251 HydrophobicContact CE1-CG2 3.99Å; F228-I251 HydrophobicContact CZ-CG2 4.04Å; F228-V255 HydrophobicContact CE1-CG2 4.41Å
229Q92.1Very high89.3Confident18 Ų1849 Ų498%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-82.794179.2-175.161.867.600110H210 D211 G231 T233H210-Q229 HydrophobicContact CB-CB 4.39Å; H210-Q229 HydrophobicContact CB-CG 3.98Å; H210-Q229 PolarHBondContact N-O 3.39Å; D211-Q229 HydrophobicContact CB-CB 3.83Å; D211-Q229 HydrophobicContact CB-CG 4.3Å; D211-Q229 VanDerWaalsContact O-CB 3.27Å; D211-Q229 WeakPolarHBondContact O-CB 3.12Å; D211-Q229 PolarHBondContact O-N 3.25Å; Q229-G231 WeakPolarHBondContact CG-O 3.37Å; Q229-G231 PolarHBondContact NE2-O 2.92Å; Q229-T233 PolarHBondContact NE2-O 3.16Å
230L89.3Confident89.7Confident39 Ų3945.6 Ų45.620%0.20424%0.241CC..  trans-86.3-9.2-173.2-57.1177.1000114.3F204 I209 F228 S236F204-L230 HydrophobicContact CB-CD2 4.16Å; F204-L230 HydrophobicContact CD1-CD1 3.83Å; F204-L230 HydrophobicContact CD1-CD2 3.92Å; F204-L230 HydrophobicContact CD1-CG 4.42Å; F204-L230 HydrophobicContact CD2-CD1 4.32Å; F204-L230 HydrophobicContact CD2-CD2 4.26Å; F204-L230 HydrophobicContact CE1-CD1 3.44Å; F204-L230 VanDerWaalsContact CE1-CD1 3.44Å; F204-L230 HydrophobicContact CE1-CD2 4.41Å; F204-L230 HydrophobicContact CE1-CG 4.47Å; F204-L230 HydrophobicContact CE2-CD1 3.95Å; F204-L230 HydrophobicContact CG-CD1 4.25Å; F204-L230 HydrophobicContact CG-CD2 3.84Å; F204-L230 HydrophobicContact CZ-CD1 3.49Å; F204-L230 VanDerWaalsContact CZ-CD1 3.49Å; I209-L230 HydrophobicContact CG1-CD2 4.05Å; F228-L230 HydrophobicContact CB-CD2 4.17Å; F228-L230 PolarHBondContact O-N 2.78Å; L230-S236 WeakPolarHBondContact CB-O 3.5Å; L230-S236 PolarHBondContact N-O 2.84Å; L230-S236 VanDerWaalsContact N-O 3.13Å
231G84.9Confident89.9Confident10 Ų1042.4 Ų42.410%0.10323%0.227CC..SBendtrans-146.6-174.6179.900000112.2H210 Q229 T233H210-G231 PolarHBondContact CD2-O 3.42Å; Q229-G231 WeakPolarHBondContact CG-O 3.37Å; Q229-G231 PolarHBondContact NE2-O 2.92Å; G231-T233 VanDerWaalsContact C-N 3.33Å; G231-T233 PolarHBondContact O-N 3Å
232P83.2Confident90.1Very high122 Ų12239.9 Ų39.979%0.79221%0.209SC*.SBendtrans-75-23-176.828.6-34.1000113.1
233T86Confident90.2Very high68 Ų6837.8 Ų37.842%0.41720%0.199SC..SBendtrans-99144.7-176.176.40000111.7Q229 G231 K235 S236Q229-T233 PolarHBondContact NE2-O 3.16Å; G231-T233 VanDerWaalsContact C-N 3.33Å; G231-T233 PolarHBondContact O-N 3Å; T233-K235 PolarHBondContact O-N 2.79Å; T233-K235 VanDerWaalsContact O-N 3.09Å; T233-S236 WeakPolarHBondContact O-CB 3.28Å; T233-S236 PolarHBondContact O-N 3.44Å; T233-S236 PolarHBondContact OG1-OG 3.27Å; T233-S236 VanDerWaalsContact OG1-OG 3.06Å
234P81.3Confident90.2Very high83 Ų8337.7 Ų37.754%0.53920%0.199SC..G310 helixtrans-62-19.6177.625.2-34.5000113.6S236 R237P234-S236 PolarHBondContact O-N 3.13Å; P234-R237 WeakPolarHBondContact O-CB 3.18Å; P234-R237 WeakPolarHBondContact O-CD 3.43Å; P234-R237 WeakPolarHBondContact O-CG 3.35Å; P234-R237 PolarHBondContact O-N 3.24Å
235K82.8Confident90.1Very high199 Ų19937 Ų3787%0.86520%0.198SC*.G310 helixtrans-69.2-19.4172.7-65.4-173.3177.9-1780113.2T233 R237T233-K235 PolarHBondContact O-N 2.79Å; T233-K235 VanDerWaalsContact O-N 3.09Å; K235-R237 PolarHBondContact O-N 3.3Å
236S88Confident90.1Very high45 Ų4537.3 Ų37.332%0.31520%0.199SC..G310 helixtrans-84.920.1176.1-50.40000112.8L230 T233 P234L230-S236 WeakPolarHBondContact CB-O 3.5Å; L230-S236 PolarHBondContact N-O 2.84Å; L230-S236 VanDerWaalsContact N-O 3.13Å; T233-S236 WeakPolarHBondContact O-CB 3.28Å; T233-S236 PolarHBondContact O-N 3.44Å; T233-S236 PolarHBondContact OG1-OG 3.27Å; T233-S236 VanDerWaalsContact OG1-OG 3.06Å; P234-S236 PolarHBondContact O-N 3.13Å
237R90.4Very high90Very high82 Ų8237.8 Ų37.831%0.30920%0.201SC..EExtended strand (participates in β ladder)trans-80.2131.7175.2-75.3174.8-172.71771.5110.7A227 F228 P234 K235 F239A227-R237 HydrophobicContact CB-CB 4.25Å; A227-R237 HydrophobicContact CB-CG 4.36Å; F228-R237 CarbonylContact O-C 3.56Å; F228-R237 VanDerWaalsContact O-CA 3.32Å; F228-R237 WeakPolarHBondContact O-CA 3.27Å; P234-R237 WeakPolarHBondContact O-CB 3.18Å; P234-R237 WeakPolarHBondContact O-CD 3.43Å; P234-R237 WeakPolarHBondContact O-CG 3.35Å; P234-R237 PolarHBondContact O-N 3.24Å; K235-R237 PolarHBondContact O-N 3.3Å; R237-F239 HydrophobicContact CB-CD2 4.29Å; R237-F239 HydrophobicContact CB-CE2 3.71Å; R237-F239 HydrophobicContact CB-CZ 3.86Å
238Y92.1Very high89.9Confident39 Ų3938 Ų3815%0.15320%0.202CC..EExtended strand (participates in β ladder)trans-95.8114.6166.8-165.8-74.6000108.8L182 L195 A227 F228 V240L182-Y238 HydrophobicContact CD2-CE1 4.03Å; L195-Y238 HydrophobicContact CD1-CD1 3.55Å; L195-Y238 HydrophobicContact CD1-CD2 4.34Å; L195-Y238 HydrophobicContact CD1-CE1 3.7Å; L195-Y238 HydrophobicContact CD1-CE2 4.46Å; L195-Y238 HydrophobicContact CD1-CG 3.89Å; A227-Y238 WeakPolarHBondContact CA-O 3.27Å; F228-Y238 PolarHBondContact N-O 3.35Å; F228-Y238 PolarHBondContact O-N 2.93Å; Y238-V240 HydrophobicContact CD1-CG2 3.89Å; Y238-V240 HydrophobicContact CE1-CG2 3.94Å
239F92.4Very high89.8Confident36 Ų3641.8 Ų41.816%0.15822%0.22CC..EExtended strand (participates in β ladder)trans-91.8133.5179.6-64.9-85.8000111.3W135 H141 I225 M226 A227 R237 Y241W135-F239 HydrophobicContact CD2-CE1 4.01Å; W135-F239 AromaticContact CE2-CE1 4Å; W135-F239 HydrophobicContact CE3-CD1 4.23Å; W135-F239 HydrophobicContact CE3-CE1 4.03Å; W135-F239 HydrophobicContact CH2-CE1 4.09Å; W135-F239 HydrophobicContact CZ2-CE1 4.04Å; W135-F239 HydrophobicContact CZ3-CD1 4.21Å; W135-F239 HydrophobicContact CZ3-CE1 4.08Å; H141-F239 AromaticContact CE1-CD1 3.35Å; H141-F239 WeakPolarHBondContact CE1-CD1 3.46Å; H141-F239 AromaticContact CE1-CD2 3.87Å; H141-F239 AromaticContact CE1-CE1 3.33Å; H141-F239 WeakPolarHBondContact CE1-CE1 3.43Å; H141-F239 AromaticContact CE1-CE2 3.85Å; H141-F239 AromaticContact CE1-CG 3.62Å; H141-F239 AromaticContact CE1-CZ 3.58Å; H141-F239 AromaticContact NE2-CD1 3.98Å; H141-F239 AromaticContact NE2-CE1 3.52Å; H141-F239 AromaticContact NE2-CZ 3.73Å; I225-F239 HydrophobicContact CG2-CD1 4.21Å; M226-F239 CarbonylContact O-C 3.58Å; M226-F239 WeakPolarHBondContact O-CA 3.48Å; A227-F239 HydrophobicContact CB-CD1 3.56Å; A227-F239 HydrophobicContact CB-CE1 3.55Å; A227-F239 HydrophobicContact CB-CG 4.35Å; A227-F239 HydrophobicContact CB-CZ 4.32Å; R237-F239 HydrophobicContact CB-CD2 4.29Å; R237-F239 HydrophobicContact CB-CE2 3.71Å; R237-F239 HydrophobicContact CB-CZ 3.86Å; F239-Y241 HydrophobicContact CB-CE2 3.87Å
240V93.7Very high89.7Confident0 Ų041.7 Ų41.70%022%0.221CC..EExtended strand (participates in β ladder)trans-120.5129174.4178.10000107.6L174 L182 L195 I225 M226 F228 Y238L174-V240 HydrophobicContact CB-CG1 3.88Å; L174-V240 HydrophobicContact CD1-CG1 3.94Å; L174-V240 HydrophobicContact CD2-CG1 4.33Å; L174-V240 HydrophobicContact CG-CG1 4.27Å; L182-V240 HydrophobicContact CD2-CB 4.3Å; L182-V240 HydrophobicContact CD2-CG1 3.94Å; L182-V240 HydrophobicContact CD2-CG2 3.64Å; L195-V240 HydrophobicContact CD2-CG2 4.34Å; I225-V240 CarbonylContact C-O 3.5Å; I225-V240 WeakPolarHBondContact CA-O 3.35Å; M226-V240 PolarHBondContact N-O 3.35Å; M226-V240 PolarHBondContact O-N 3.36Å; F228-V240 HydrophobicContact CD2-CG2 4.14Å; F228-V240 HydrophobicContact CE2-CB 4.48Å; F228-V240 HydrophobicContact CE2-CG2 3.77Å; Y238-V240 HydrophobicContact CD1-CG2 3.89Å; Y238-V240 HydrophobicContact CE1-CG2 3.94Å
241Y92.8Very high89.8Confident4 Ų439.8 Ų39.82%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-110.2158.7-177.5-55.7-100.2000110.6H141 V144 L145 C175 K177 I225 F239 L243H141-Y241 HydrophobicContact CB-CE1 4Å; H141-Y241 AromaticContact ND1-CE1 3.54Å; H141-Y241 AromaticContact ND1-CZ 3.51Å; H141-Y241 PolarHBondContact ND1-OH 3.35Å; V144-Y241 HydrophobicContact CB-CE1 4.11Å; V144-Y241 HydrophobicContact CG1-CD1 4.13Å; V144-Y241 HydrophobicContact CG1-CD2 4.01Å; V144-Y241 HydrophobicContact CG1-CE1 4.02Å; V144-Y241 HydrophobicContact CG1-CE2 3.92Å; V144-Y241 HydrophobicContact CG1-CG 4.12Å; L145-Y241 HydrophobicContact CD2-CD1 4.24Å; C175-Y241 PolarHBondContact N-O 2.99Å; C175-Y241 VanDerWaalsContact N-O 3.16Å; C175-Y241 WeakPolarHBondContact O-CD2 3.41Å; C175-Y241 PolarHBondContact O-N 2.9Å; K177-Y241 HydrophobicContact CB-CE2 4.23Å; I225-Y241 HydrophobicContact CD1-CD1 4.01Å; I225-Y241 HydrophobicContact CD1-CE1 4.08Å; I225-Y241 HydrophobicContact CG1-CD1 3.95Å; I225-Y241 HydrophobicContact CG1-CE1 4.44Å; I225-Y241 HydrophobicContact CG2-CD1 3.97Å; I225-Y241 HydrophobicContact CG2-CE1 4.04Å; F239-Y241 HydrophobicContact CB-CE2 3.87Å; Y241-L243 VanDerWaalsContact C-N 3.29Å; Y241-L243 PolarHBondContact O-N 3.1Å
242W92.3Very high90.1Very high10 Ų1041.4 Ų41.44%0.03822%0.215CC..EExtended strand (participates in β ladder)trans60.433.3179.6-55.1103.7000114.4L145 G149 K150 P151 I217 H220 Y223 H224 P244L145-W242 HydrophobicContact CD2-CH2 4.5Å; L145-W242 HydrophobicContact CD2-CZ2 3.77Å; G149-W242 VanDerWaalsContact C-CZ2 3.48Å; G149-W242 PolarHBondContact O-NE1 2.88Å; K150-W242 HydrophobicContact CB-CD2 4.19Å; K150-W242 HydrophobicContact CB-CE3 4.07Å; K150-W242 HydrophobicContact CB-CH2 3.95Å; K150-W242 HydrophobicContact CB-CZ2 4.06Å; K150-W242 HydrophobicContact CB-CZ3 3.95Å; K150-W242 HydrophobicContact CG-CD2 4.34Å; K150-W242 HydrophobicContact CG-CE3 4.06Å; K150-W242 HydrophobicContact CG-CZ3 4.28Å; P151-W242 VanDerWaalsContact CD-CD1 3.42Å; P151-W242 HydrophobicContact CG-CB 4.33Å; P151-W242 HydrophobicContact CG-CG 4.41Å; I217-W242 HydrophobicContact CD1-CD2 3.98Å; I217-W242 HydrophobicContact CD1-CE3 3.88Å; I217-W242 HydrophobicContact CD1-CG 4.44Å; I217-W242 HydrophobicContact CD1-CZ3 4.26Å; H220-W242 HydrophobicContact CB-CZ3 4Å; H220-W242 AromaticContact CD2-CH2 3.65Å; H220-W242 AromaticContact CD2-CZ3 3.65Å; H220-W242 AromaticContact CG-CZ3 3.75Å; Y223-W242 HydrophobicContact CD1-CB 4.38Å; Y223-W242 HydrophobicContact CD1-CE3 4.4Å; Y223-W242 WeakPolarHBondContact CD1-O 3.36Å; Y223-W242 AromaticContact CD2-CE3 3.89Å; Y223-W242 HydrophobicContact CD2-CE3 3.89Å; Y223-W242 HydrophobicContact CD2-CZ3 4.14Å; Y223-W242 AromaticContact CG-CE3 3.8Å; Y223-W242 HydrophobicContact CG-CE3 3.8Å; Y223-W242 HydrophobicContact CG-CZ3 4.43Å; H224-W242 PolarHBondContact O-N 2.97Å; W242-P244 WeakPolarHBondContact O-CD 3.32Å
243L93Very high90.4Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-73.4124.3174.4-174.471.1000109.8L171 L174 Y223 H224 M226 Y241 S245 V248 I251L171-L243 HydrophobicContact CD1-CD1 3.93Å; L174-L243 HydrophobicContact CD1-CD1 4.19Å; L174-L243 HydrophobicContact CD2-CB 4.1Å; L174-L243 HydrophobicContact CD2-CD1 3.62Å; L174-L243 HydrophobicContact CD2-CG 4.46Å; Y223-L243 CarbonylContact C-O 3.58Å; Y223-L243 WeakPolarHBondContact CA-O 3.33Å; H224-L243 PolarHBondContact N-O 2.9Å; H224-L243 WeakPolarHBondContact O-CB 3.21Å; H224-L243 PolarHBondContact O-N 2.84Å; M226-L243 HydrophobicContact CB-CD2 3.76Å; M226-L243 HydrophobicContact CE-CD2 3.34Å; M226-L243 HydrophobicContact CG-CD2 4.26Å; M226-L243 HydrophobicContact SD-CD2 3.53Å; M226-L243 VanDerWaalsContact SD-CD2 3.53Å; Y241-L243 VanDerWaalsContact C-N 3.29Å; Y241-L243 PolarHBondContact O-N 3.1Å; L243-S245 PolarHBondContact O-N 2.76Å; L243-V248 HydrophobicContact CD2-CG2 3.86Å; L243-V248 HydrophobicContact CG-CG2 4.3Å; L243-I251 HydrophobicContact CD1-CD1 3.81Å; L243-I251 HydrophobicContact CD2-CD1 3.89Å; L243-I251 HydrophobicContact CG-CD1 4.39Å
244P92.9Very high90.5Very high1 Ų136.1 Ų36.11%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-58.7133.8176.8-22.132.4000111.5M155 Y223 W242 Q246 Y247M155-P244 HydrophobicContact CB-CG 3.8Å; Y223-P244 HydrophobicContact CE1-CG 4.38Å; W242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-Q246 VanDerWaalsContact CB-CD 3.48Å; P244-Q246 PolarHBondContact O-N 3.34Å; P244-Q246 VanDerWaalsContact O-N 3.13Å; P244-Y247 HydrophobicContact CB-CD2 3.98Å; P244-Y247 HydrophobicContact CB-CE2 4.39Å; P244-Y247 HydrophobicContact CG-CD2 4.2Å; P244-Y247 PolarHBondContact O-N 3.22Å
245S91.7Very high90.7Very high19 Ų1932.2 Ų32.213%0.13315%0.154CC..Hα-helixtrans-54.9-33.7-175.551.30000113.3I158 E222 L243 Y247 V248I158-S245 PolarHBondContact O-OG 2.83Å; E222-S245 PolarHBondContact O-N 2.99Å; E222-S245 PolarHBondContact O-OG 3.1Å; L243-S245 PolarHBondContact O-N 2.76Å; S245-Y247 VanDerWaalsContact C-N 3.31Å; S245-Y247 PolarHBondContact O-N 2.75Å; S245-V248 WeakPolarHBondContact O-CB 3.3Å; S245-V248 WeakPolarHBondContact O-CG2 3.14Å; S245-V248 PolarHBondContact O-N 2.9Å
246Q92.1Very high90.9Very high6 Ų625.8 Ų25.83%0.02813%0.128CC..Hα-helixtrans-66.2-27.8-174.869.7-87.229.100114.9V156 I161 E163 P244V156-Q246 PolarHBondContact O-NE2 3.28Å; I161-Q246 WeakPolarHBondContact O-CA 3.14Å; I161-Q246 WeakPolarHBondContact O-CB 3.39Å; E163-Q246 HydrophobicContact CB-CB 4.07Å; E163-Q246 HydrophobicContact CB-CG 3.92Å; E163-Q246 PolarHBondContact N-O 3.3Å; P244-Q246 VanDerWaalsContact CB-CD 3.48Å; P244-Q246 PolarHBondContact O-N 3.34Å; P244-Q246 VanDerWaalsContact O-N 3.13Å
247Y92.4Very high90.7Very high10 Ų1028.6 Ų28.64%0.03914%0.137CC..Hα-helixtrans-93.5-9.3179.7-59.6-66.1000113.1M155 E163 L165 L171 P244 S245 E249 S250 I251M155-Y247 HydrophobicContact CE-CE2 3.66Å; E163-Y247 HydrophobicContact CB-CD1 4.06Å; E163-Y247 HydrophobicContact CB-CE1 3.75Å; E163-Y247 VanDerWaalsContact CD-CE1 3.46Å; E163-Y247 HydrophobicContact CG-CD1 4.41Å; E163-Y247 HydrophobicContact CG-CE1 3.67Å; E163-Y247 WeakPolarHBondContact OE1-CE1 3.06Å; E163-Y247 PolarHBondContact OE1-OH 3.28Å; E163-Y247 PolarHBondContact OE2-OH 3.43Å; L165-Y247 HydrophobicContact CB-CD1 4.23Å; L165-Y247 HydrophobicContact CD1-CD1 3.89Å; L165-Y247 HydrophobicContact CD1-CE1 4.1Å; L165-Y247 HydrophobicContact CD1-CG 4.44Å; L171-Y247 HydrophobicContact CD1-CD2 4.31Å; L171-Y247 HydrophobicContact CD1-CG 4.22Å; L171-Y247 HydrophobicContact CD2-CD1 4.41Å; L171-Y247 HydrophobicContact CD2-CD2 3.66Å; L171-Y247 HydrophobicContact CD2-CE1 4.48Å; L171-Y247 HydrophobicContact CD2-CE2 3.75Å; L171-Y247 HydrophobicContact CD2-CG 4.02Å; P244-Y247 HydrophobicContact CB-CD2 3.98Å; P244-Y247 HydrophobicContact CB-CE2 4.39Å; P244-Y247 HydrophobicContact CG-CD2 4.2Å; P244-Y247 PolarHBondContact O-N 3.22Å; S245-Y247 VanDerWaalsContact C-N 3.31Å; S245-Y247 PolarHBondContact O-N 2.75Å; Y247-E249 VanDerWaalsContact C-N 3.34Å; Y247-E249 PolarHBondContact O-N 3.11Å; Y247-S250 PolarHBondContact O-N 3.17Å; Y247-I251 WeakPolarHBondContact O-CB 3.25Å; Y247-I251 WeakPolarHBondContact O-CD1 3.48Å; Y247-I251 VanDerWaalsContact O-CG1 3.28Å; Y247-I251 WeakPolarHBondContact O-CG1 3.42Å; Y247-I251 PolarHBondContact O-N 2.68Å
248V91.7Very high90.2Very high8 Ų827.9 Ų27.95%0.04813%0.134CC..Hα-helixtrans-56.8-48.4-174.2169.70000111.4S214 H224 M226 L243 S245 K252S214-V248 WeakPolarHBondContact OG-CG1 3.36Å; H224-V248 HydrophobicContact CB-CG2 3.86Å; M226-V248 HydrophobicContact CE-CB 4.29Å; M226-V248 HydrophobicContact CE-CG1 3.94Å; M226-V248 HydrophobicContact CE-CG2 4.46Å; L243-V248 HydrophobicContact CD2-CG2 3.86Å; L243-V248 HydrophobicContact CG-CG2 4.3Å; S245-V248 WeakPolarHBondContact O-CB 3.3Å; S245-V248 WeakPolarHBondContact O-CG2 3.14Å; S245-V248 PolarHBondContact O-N 2.9Å; V248-K252 HydrophobicContact CG1-CD 4.41Å; V248-K252 WeakPolarHBondContact O-CG 3.24Å; V248-K252 PolarHBondContact O-N 3.28Å; V248-K252 VanDerWaalsContact O-N 3.12Å
249E90.6Very high89.3Confident78 Ų7829.8 Ų29.836%0.36414%0.144SC..Hα-helixtrans-74.4-37.5-176-164.454.5-144.800111.8E162 Y247 I251 K252 T253E162-E249 HydrophobicContact CG-CB 4.43Å; Y247-E249 VanDerWaalsContact C-N 3.34Å; Y247-E249 PolarHBondContact O-N 3.11Å; E249-I251 PolarHBondContact O-N 2.85Å; E249-K252 PolarHBondContact O-N 3.16Å; E249-T253 WeakPolarHBondContact O-CB 3.22Å; E249-T253 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-OG1 2.79Å
250S90.9Very high88.6Confident16 Ų1632.7 Ų32.711%0.11216%0.16CC..Hα-helixtrans-59.4-47.4173.4-179.50000111.5E163 L165 Y247 T253 M254E163-S250 WeakPolarHBondContact O-CB 3.26Å; L165-S250 PolarHBondContact N-OG 2.82Å; Y247-S250 PolarHBondContact O-N 3.17Å; S250-T253 PolarHBondContact O-N 2.85Å; S250-M254 WeakPolarHBondContact O-CB 3.46Å; S250-M254 VanDerWaalsContact O-CG 3.27Å; S250-M254 WeakPolarHBondContact O-CG 3.46Å; S250-M254 PolarHBondContact O-N 3.2Å
251I91.2Very high87.8Confident0 Ų037.9 Ų37.90%019%0.186CC..Hα-helixtrans-62.1-47.8178.2-69.4160.6000111.5L165 L171 L184 I186 M226 F228 L243 Y247 E249 T253 M254 V255L165-I251 HydrophobicContact CD2-CG1 4.28Å; L171-I251 HydrophobicContact CD1-CD1 3.68Å; L184-I251 HydrophobicContact CD2-CD1 4.49Å; I186-I251 HydrophobicContact CD1-CB 4.2Å; I186-I251 HydrophobicContact CD1-CG1 3.95Å; I186-I251 HydrophobicContact CD1-CG2 3.87Å; M226-I251 HydrophobicContact CE-CB 4.13Å; M226-I251 HydrophobicContact CE-CD1 4.44Å; M226-I251 HydrophobicContact CE-CG2 3.99Å; M226-I251 HydrophobicContact SD-CB 4.32Å; M226-I251 HydrophobicContact SD-CD1 4.4Å; M226-I251 HydrophobicContact SD-CG2 3.61Å; F228-I251 HydrophobicContact CE1-CG2 3.99Å; F228-I251 HydrophobicContact CZ-CG2 4.04Å; L243-I251 HydrophobicContact CD1-CD1 3.81Å; L243-I251 HydrophobicContact CD2-CD1 3.89Å; L243-I251 HydrophobicContact CG-CD1 4.39Å; Y247-I251 WeakPolarHBondContact O-CB 3.25Å; Y247-I251 WeakPolarHBondContact O-CD1 3.48Å; Y247-I251 VanDerWaalsContact O-CG1 3.28Å; Y247-I251 WeakPolarHBondContact O-CG1 3.42Å; Y247-I251 PolarHBondContact O-N 2.68Å; E249-I251 PolarHBondContact O-N 2.85Å; I251-T253 VanDerWaalsContact C-N 3.28Å; I251-T253 PolarHBondContact O-N 2.88Å; I251-M254 PolarHBondContact O-N 3.49Å; I251-V255 HydrophobicContact CG2-CG2 4.3Å; I251-V255 VanDerWaalsContact O-CG2 3.27Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.43Å
252K91.2Very high86.8Confident43 Ų4339.3 Ų39.319%0.18720%0.197CC..Hα-helixtrans-56.3-48.1176.9-77.2176.2-179.41720110.6V212 S214 M226 V248 E249 V255 L256V212-K252 HydrophobicContact CB-CG 4.28Å; V212-K252 HydrophobicContact CG1-CG 3.96Å; S214-K252 WeakPolarHBondContact OG-CE 3.22Å; S214-K252 PolarHBondContact OG-NZ 3.34Å; M226-K252 HydrophobicContact CE-CG 4.31Å; V248-K252 HydrophobicContact CG1-CD 4.41Å; V248-K252 WeakPolarHBondContact O-CG 3.24Å; V248-K252 PolarHBondContact O-N 3.28Å; V248-K252 VanDerWaalsContact O-N 3.12Å; E249-K252 PolarHBondContact O-N 3.16Å; K252-V255 PolarHBondContact O-N 3Å; K252-L256 VanDerWaalsContact O-CB 3.25Å; K252-L256 WeakPolarHBondContact O-CB 3.48Å; K252-L256 WeakPolarHBondContact O-CG 3.02Å; K252-L256 PolarHBondContact O-N 2.81Å
253T89.3Confident85.7Confident47 Ų4742.7 Ų42.729%0.28822%0.222SC..Hα-helixtrans-60.4-50.1179.7-64.60000111E249 S250 I251 V255 L256 Q257E249-T253 WeakPolarHBondContact O-CB 3.22Å; E249-T253 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-OG1 2.79Å; S250-T253 PolarHBondContact O-N 2.85Å; I251-T253 VanDerWaalsContact C-N 3.28Å; I251-T253 PolarHBondContact O-N 2.88Å; T253-V255 PolarHBondContact O-N 2.93Å; T253-L256 PolarHBondContact O-N 2.87Å; T253-Q257 HydrophobicContact CG2-CG 3.93Å; T253-Q257 WeakPolarHBondContact O-CB 3.49Å; T253-Q257 WeakPolarHBondContact O-CG 3.45Å; T253-Q257 PolarHBondContact O-N 3.07Å
254M87Confident84.6Confident33 Ų3348.3 Ų48.316%0.16325%0.251CS..Hα-helixtrans-58.9-46.3178.8-71.817881.400112.6L165 I186 P188 S250 I251 Y258L165-M254 HydrophobicContact CB-SD 4.22Å; L165-M254 HydrophobicContact CD2-SD 4.46Å; I186-M254 HydrophobicContact CB-CE 4.13Å; I186-M254 HydrophobicContact CD1-CB 4.48Å; I186-M254 HydrophobicContact CD1-SD 4.29Å; I186-M254 HydrophobicContact CG2-CE 3.78Å; P188-M254 HydrophobicContact CB-CE 4.47Å; P188-M254 HydrophobicContact CG-CE 4.07Å; S250-M254 WeakPolarHBondContact O-CB 3.46Å; S250-M254 VanDerWaalsContact O-CG 3.27Å; S250-M254 WeakPolarHBondContact O-CG 3.46Å; S250-M254 PolarHBondContact O-N 3.2Å; I251-M254 PolarHBondContact O-N 3.49Å; M254-Y258 WeakPolarHBondContact O-CB 3.37Å; M254-Y258 PolarHBondContact O-N 3.44Å
255V87Confident83.1Confident1 Ų151.9 Ų51.91%0.00628%0.276CS..Hα-helixtrans-68.9-45.5-178.1176.20000111.2I186 L206 I209 V212 F228 I251 K252 T253I186-V255 HydrophobicContact CD1-CG2 4.29Å; L206-V255 HydrophobicContact CD2-CB 4.42Å; L206-V255 HydrophobicContact CD2-CG1 4.24Å; L206-V255 HydrophobicContact CD2-CG2 3.92Å; I209-V255 HydrophobicContact CB-CG1 3.92Å; I209-V255 HydrophobicContact CD1-CG1 3.91Å; I209-V255 HydrophobicContact CG1-CG1 4.47Å; I209-V255 HydrophobicContact CG2-CG1 3.82Å; V212-V255 HydrophobicContact CG2-CB 4.01Å; V212-V255 HydrophobicContact CG2-CG1 3.61Å; V212-V255 HydrophobicContact CG2-CG2 4.45Å; F228-V255 HydrophobicContact CE1-CG2 4.41Å; I251-V255 HydrophobicContact CG2-CG2 4.3Å; I251-V255 VanDerWaalsContact O-CG2 3.27Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.43Å; K252-V255 PolarHBondContact O-N 3Å; T253-V255 PolarHBondContact O-N 2.93Å
256L85.8Confident81.5Confident63 Ų6354.2 Ų54.233%0.3330%0.303SS..Hα-helixtrans-75.5-37.2-176.6-64.9175.3000112.5K252 T253 Y258 K259 I260K252-L256 VanDerWaalsContact O-CB 3.25Å; K252-L256 WeakPolarHBondContact O-CB 3.48Å; K252-L256 WeakPolarHBondContact O-CG 3.02Å; K252-L256 PolarHBondContact O-N 2.81Å; T253-L256 PolarHBondContact O-N 2.87Å; L256-Y258 VanDerWaalsContact C-N 3.34Å; L256-K259 WeakPolarHBondContact O-CB 3.36Å; L256-K259 PolarHBondContact O-N 3.41Å; L256-I260 PolarHBondContact O-N 3Å
257Q83.4Confident79.6Confident105 Ų10557.9 Ų57.949%0.49134%0.335SS..Hα-helixtrans-64.4-38.8174.7-74.2-179.8-10.200111.7T253 K259 I260 I261T253-Q257 HydrophobicContact CG2-CG 3.93Å; T253-Q257 WeakPolarHBondContact O-CB 3.49Å; T253-Q257 WeakPolarHBondContact O-CG 3.45Å; T253-Q257 PolarHBondContact O-N 3.07Å; Q257-K259 PolarHBondContact O-N 3.48Å; Q257-I260 WeakPolarHBondContact O-CB 3.46Å; Q257-I260 PolarHBondContact O-N 3.26Å; Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.92Å
258Y81.6Confident77.4Confident66 Ų6663.3 Ų63.326%0.25937%0.369SS..Hα-helixtrans-57.9-39.1176.3-172.5-88.8000112P188 G191 L206 M254 L256 I260 I261 S262P188-Y258 VanDerWaalsContact O-CE2 3.32Å; P188-Y258 WeakPolarHBondContact O-CE2 3.11Å; G191-Y258 VanDerWaalsContact CA-CE2 3.46Å; G191-Y258 VanDerWaalsContact CA-OH 3.32Å; G191-Y258 WeakPolarHBondContact CA-OH 3.46Å; L206-Y258 HydrophobicContact CB-CD1 3.38Å; L206-Y258 HydrophobicContact CB-CE1 3.93Å; L206-Y258 HydrophobicContact CB-CG 3.85Å; L206-Y258 HydrophobicContact CD1-CD1 4.09Å; L206-Y258 HydrophobicContact CD1-CD2 3.94Å; L206-Y258 HydrophobicContact CD1-CG 3.67Å; L206-Y258 HydrophobicContact CG-CD1 4.36Å; L206-Y258 HydrophobicContact CG-CG 4.42Å; M254-Y258 WeakPolarHBondContact O-CB 3.37Å; M254-Y258 PolarHBondContact O-N 3.44Å; L256-Y258 VanDerWaalsContact C-N 3.34Å; Y258-I260 VanDerWaalsContact C-N 3.32Å; Y258-I260 PolarHBondContact O-N 3.21Å; Y258-I261 PolarHBondContact O-N 3.23Å; Y258-S262 VanDerWaalsContact O-CB 3.3Å; Y258-S262 WeakPolarHBondContact O-CB 3.32Å; Y258-S262 PolarHBondContact O-N 3.46Å; Y258-S262 PolarHBondContact O-OG 3.48Å
259K73.1Confident75Confident80 Ų8066.2 Ų66.235%0.34840%0.4SS..Hα-helixtrans-63.1-39175.9-171.4-179.9178.8-175.70112.1H210 L256 Q257 S262 S263H210-K259 PolarHBondContact O-NZ 3.32Å; L256-K259 WeakPolarHBondContact O-CB 3.36Å; L256-K259 PolarHBondContact O-N 3.41Å; Q257-K259 PolarHBondContact O-N 3.48Å; K259-S262 WeakPolarHBondContact CA-OG 3.5Å; K259-S262 PolarHBondContact O-OG 3.39Å; K259-S263 WeakPolarHBondContact O-CB 3.39Å; K259-S263 PolarHBondContact O-N 2.81Å; K259-S263 PolarHBondContact O-OG 3.25Å
260I77.5Confident72.7Confident97 Ų9769.1 Ų69.150%0.49742%0.424SS..Hα-helixtrans-65.3-50.7176.3-61.7169.9000109.5L256 Q257 Y258 S263 L264L256-I260 PolarHBondContact O-N 3Å; Q257-I260 WeakPolarHBondContact O-CB 3.46Å; Q257-I260 PolarHBondContact O-N 3.26Å; Y258-I260 VanDerWaalsContact C-N 3.32Å; Y258-I260 PolarHBondContact O-N 3.21Å; I260-S263 PolarHBondContact O-N 2.75Å; I260-S263 PolarHBondContact O-OG 2.74Å; I260-L264 HydrophobicContact CG2-CD1 3.99Å; I260-L264 WeakPolarHBondContact O-CG 3.15Å; I260-L264 PolarHBondContact O-N 3.11Å; I260-L264 VanDerWaalsContact O-N 3.08Å
261I76.9Confident70.3Confident108 Ų10876.3 Ų76.355%0.55446%0.461SS*.Hα-helixtrans-62.7-47.3-177.7-64.1166.4000111.3Q257 Y258 S263 L264 S265Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.92Å; Y258-I261 PolarHBondContact O-N 3.23Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 2.93Å; I261-L264 PolarHBondContact O-N 3.31Å; I261-L264 VanDerWaalsContact O-N 3.1Å; I261-S265 PolarHBondContact O-N 2.79Å
262S70.8Confident68.4Low34 Ų3485.7 Ų85.724%0.23850%0.502CS..Hα-helixtrans-64-34.4177.455.40000112.7Y258 K259 L264 S265 G266Y258-S262 VanDerWaalsContact O-CB 3.3Å; Y258-S262 WeakPolarHBondContact O-CB 3.32Å; Y258-S262 PolarHBondContact O-N 3.46Å; Y258-S262 PolarHBondContact O-OG 3.48Å; K259-S262 WeakPolarHBondContact CA-OG 3.5Å; K259-S262 PolarHBondContact O-OG 3.39Å; S262-L264 VanDerWaalsContact C-N 3.29Å; S262-L264 PolarHBondContact O-N 2.85Å; S262-S265 PolarHBondContact O-OG 2.81Å; S262-G266 PolarHBondContact O-N 2.89Å
263S69.4Low66.2Low81 Ų8189 Ų8957%0.56653%0.527SS*.Hα-helixtrans-69.7-25.5173.976.60000113.5K259 I260 I261K259-S263 WeakPolarHBondContact O-CB 3.39Å; K259-S263 PolarHBondContact O-N 2.81Å; K259-S263 PolarHBondContact O-OG 3.25Å; I260-S263 PolarHBondContact O-N 2.75Å; I260-S263 PolarHBondContact O-OG 2.74Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 2.93Å
264L69.2Low64.2Low119 Ų11998.6 Ų98.662%0.62358%0.576SS**Hα-helixtrans-83.7-37.5177.3-69.7169.1000112.1I260 I261 S262I260-L264 HydrophobicContact CG2-CD1 3.99Å; I260-L264 WeakPolarHBondContact O-CG 3.15Å; I260-L264 PolarHBondContact O-N 3.11Å; I260-L264 VanDerWaalsContact O-N 3.08Å; I261-L264 PolarHBondContact O-N 3.31Å; I261-L264 VanDerWaalsContact O-N 3.1Å; S262-L264 VanDerWaalsContact C-N 3.29Å; S262-L264 PolarHBondContact O-N 2.85Å
265S63.3Low63.1Low76 Ų76101.9 Ų101.953%0.53160%0.597SS.*Hα-helixtrans-73.2-27.7-18071.50000113.5I261 S262 A267 T268I261-S265 PolarHBondContact O-N 2.79Å; S262-S265 PolarHBondContact O-OG 2.81Å; S265-A267 PolarHBondContact O-N 3.15Å; S265-A267 VanDerWaalsContact O-N 3.15Å; S265-T268 PolarHBondContact O-N 2.75Å; S265-T268 PolarHBondContact O-OG1 2.94Å
266G56.8Low61.8Low67 Ų67107.2 Ų107.269%0.69163%0.628SS**THydrogen-bonded Turntrans-66.7-9.517700000115.4S262S262-G266 PolarHBondContact O-N 2.89Å
267A52.9Low60.5Low84 Ų84109.7 Ų109.769%0.69464%0.644SS**THydrogen-bonded Turntrans-86-8.3-179.800000114.1S265S265-A267 PolarHBondContact O-N 3.15Å; S265-A267 VanDerWaalsContact O-N 3.15Å
268T46.5Very low59.1Low123 Ų123109.9 Ų109.976%0.75565%0.653SS**SBendtrans-122.177.4-179.154.90000110.4S265S265-T268 PolarHBondContact O-N 2.75Å; S265-T268 PolarHBondContact O-OG1 2.94Å
269G41.3Very low57.7Low69 Ų69112.7 Ų112.771%0.71168%0.678SS**  trans-169.939.8-171.200000117.8
270T42.5Very low56.7Low139 Ų139114.9 Ų114.985%0.85370%0.7SS**  trans-135.879.6162.358.20000110.3
271N40.2Very low55.2Low167 Ų167116.1 Ų116.189%0.89371%0.714SS**  trans-140.591.5154.1-120-41.5000107.3
272K49.9Very low53.5Low198 Ų198116.8 Ų116.886%0.86173%0.727SS**  trans-103.8109.6169.5-168.8178.4-175.1-176.20105.6
273P46.6Very low52.1Low111 Ų111123.7 Ų123.772%0.72177%0.767SS**  trans-73.4152.9165.531.8-28.8000108.8
274L46.6Very low50.5Low250 Ų250127.5 Ų127.5100%1.30979%0.786SS**  trans-40.90174.7-108.178.8000113.6

Retrieved 274 of 274 residues in 219.6 ms (Link to these results)