A0A077YY19_TRITR Loading...

Calcium:calmodulin dependent protein kinase type

AlphaFold DB , UniProt , Accession A0A077YY19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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
1M27.2Very low37.1Very low235 Ų235142.6 Ų142.6100%1.15876%0.763SS**  0116.40-72.6-171.8-176.400108.4
2P29.5Very low38.8Very low127 Ų127136.6 Ų136.683%0.82572%0.722SS**  trans-97116.6167.220.4-3.4000110F4P2-F4 PolarHBondContact O-N 3.37Å
3L31Very low40.9Very low164 Ų164137.5 Ų137.586%0.85971%0.71SS**  trans-80.877.3172.4-79.9157.2000109.8
4F34.2Very low43.4Very low206 Ų206138.1 Ų138.190%0.90470%0.699SS**  trans-143.463163.8-76.9-74.3000109.6P2 G6P2-F4 PolarHBondContact O-N 3.37Å; F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 3.38Å; F4-G6 VanDerWaalsContact O-N 3.08Å
5G29.8Very low45.8Very low77 Ų77131 Ų13179%0.79467%0.667SS**  trans-75.786166.400000109.3R7G5-R7 PolarHBondContact O-N 3.22Å
6G32.4Very low48.2Very low68 Ų68127.8 Ų127.870%0.70165%0.652SS**  trans-54.5113.616700000108.6F4 K8F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 3.38Å; F4-G6 VanDerWaalsContact O-N 3.08Å; G6-K8 PolarHBondContact O-N 2.66Å
7R34.7Very low50.6Low248 Ų248120.5 Ų120.594%0.93662%0.615SS**  trans-56.5104170.6-81.1-179.9177.1169-0.8107G5 D9G5-R7 PolarHBondContact O-N 3.22Å; R7-D9 PolarHBondContact O-N 2.84Å; R7-D9 VanDerWaalsContact O-N 3.08Å
8K38.8Very low52.9Low196 Ų196122.9 Ų122.985%0.85262%0.615SS**  trans-57115.2169.1-79-177.9174.7179.10107G6 S10G6-K8 PolarHBondContact O-N 2.66Å; K8-S10 PolarHBondContact O-N 2.68Å; K8-S10 VanDerWaalsContact O-N 3.09Å
9D47.8Very low54.9Low49 Ų49122.3 Ų122.326%0.26261%0.614SS.*  trans-52.9115.7176.2-1797000109.1R7 R11 R12R7-D9 PolarHBondContact O-N 2.84Å; R7-D9 VanDerWaalsContact O-N 3.08Å; D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 PolarHBondContact OD1-N 3.48Å; D9-R12 PolarHBondContact O-N 3.5Å
10S48.7Very low56.8Low111 Ų111118.5 Ų118.578%0.77659%0.593SS**THydrogen-bonded Turntrans-63.4-11.8-173.7-30.10000112.8K8K8-S10 PolarHBondContact O-N 2.68Å; K8-S10 VanDerWaalsContact O-N 3.09Å
11R54.1Low58.6Low88 Ų88113.4 Ų113.433%0.33257%0.567SS.*THydrogen-bonded Turntrans-89.9-16-177.6-60.3-172-154.7163.115.5114.1D9 R13 S73D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 PolarHBondContact OD1-N 3.48Å; R11-R13 PolarHBondContact O-N 2.61Å; R11-S73 PolarHBondContact NH1-O 3.35Å; R11-S73 PolarHBondContact NH2-O 3.03Å
12R57.8Low61.8Low70 Ų70105.8 Ų105.826%0.26453%0.531SS..EExtended strand (participates in β ladder)trans-80.8110.5178.2-89.9-169.1173.4170.43.8111.5D9 I69D9-R12 PolarHBondContact O-N 3.5Å; R12-I69 VanDerWaalsContact NH2-CD1 3.32Å
13R65.4Low64.9Low149 Ų149102.5 Ų102.556%0.56251%0.506SS*.EExtended strand (participates in β ladder)trans-115.1123.3172.4-69-177.7-176.8168.92.5110.2R11 C15 L87 E88R11-R13 PolarHBondContact O-N 2.61Å; R13-C15 PolarHBondContact O-N 2.8Å; R13-C15 VanDerWaalsContact O-N 3.16Å; R13-L87 HydrophobicContact CB-CD2 4.03Å; R13-E88 PolarHBondContact O-N 2.73Å
14Y76.4Confident67.8Low145 Ų145100.2 Ų100.257%0.56949%0.486SS*.EExtended strand (participates in β ladder)trans-73.9100.9166.6-165.5-90.1000108.1E88 K90Y14-E88 HydrophobicContact CD2-CG 4.12Å; Y14-K90 WeakPolarHBondContact OH-CG 3.28Å
15C78.9Confident70.4Confident32 Ų3296.4 Ų96.422%0.21647%0.472CS..  trans-153158.9178.867.70000110.1R13 I17 E88R13-C15 PolarHBondContact O-N 2.8Å; R13-C15 VanDerWaalsContact O-N 3.16Å; C15-I17 PolarHBondContact O-N 3.11Å; C15-E88 PolarHBondContact N-O 3.28Å
16N84.8Confident73.2Confident79 Ų7998 Ų9842%0.42246%0.458SS..  trans-72.3125.4172.5-172.9-23.3000108.4R18 D19N16-R18 PolarHBondContact O-N 3.28Å; N16-R18 VanDerWaalsContact O-N 3.1Å; N16-R18 WeakPolarHBondContact OD1-CB 3.26Å; N16-R18 PolarHBondContact OD1-N 2.8Å; N16-R18 VanDerWaalsContact OD1-N 3.08Å; N16-D19 WeakPolarHBondContact CB-OD2 3.26Å; N16-D19 WeakPolarHBondContact O-CB 3.46Å; N16-D19 PolarHBondContact O-N 3.28Å
17I89.1Confident75.3Confident4 Ų498.8 Ų98.82%0.02145%0.446CS..Hα-helixtrans-54.7-33.5-179.4-172.463.7000112.2C15 D19 K20 Y21 L23 I50 L87 Y94C15-I17 PolarHBondContact O-N 3.11Å; I17-D19 PolarHBondContact O-N 2.9Å; I17-K20 PolarHBondContact O-N 3.36Å; I17-Y21 HydrophobicContact CD1-CD2 3.69Å; I17-Y21 HydrophobicContact CD1-CE2 4.37Å; I17-Y21 PolarHBondContact O-N 2.98Å; I17-L23 HydrophobicContact CG1-CD2 4.12Å; I17-L23 HydrophobicContact CG2-CD1 4.09Å; I17-I50 HydrophobicContact CD1-CD1 4.09Å; I17-I50 HydrophobicContact CG1-CD1 4.24Å; I17-L87 HydrophobicContact CD1-CB 4.38Å; I17-L87 HydrophobicContact CD1-CD1 3.35Å; I17-L87 HydrophobicContact CD1-CG 4.43Å; I17-Y94 HydrophobicContact CB-CD1 4.33Å; I17-Y94 HydrophobicContact CB-CD2 4.22Å; I17-Y94 HydrophobicContact CB-CE1 4.25Å; I17-Y94 HydrophobicContact CB-CE2 4.13Å; I17-Y94 HydrophobicContact CB-CG 4.32Å; I17-Y94 HydrophobicContact CD1-CD1 4.49Å; I17-Y94 HydrophobicContact CD1-CG 4.19Å; I17-Y94 HydrophobicContact CG1-CD1 4.14Å; I17-Y94 HydrophobicContact CG1-CE1 4.43Å; I17-Y94 HydrophobicContact CG1-CG 4.25Å; I17-Y94 HydrophobicContact CG2-CD1 4.46Å; I17-Y94 HydrophobicContact CG2-CE1 3.93Å; I17-Y94 HydrophobicContact CG2-CE2 4.25Å
18R91.1Very high77Confident164 Ų16488.4 Ų88.462%0.61942%0.416SS*.Hα-helixtrans-69.8-13.3179.8-66.1-177.2175.1165.3-2.2113.7N16 K20 Y21 L23 K41N16-R18 PolarHBondContact O-N 3.28Å; N16-R18 VanDerWaalsContact O-N 3.1Å; N16-R18 WeakPolarHBondContact OD1-CB 3.26Å; N16-R18 PolarHBondContact OD1-N 2.8Å; N16-R18 VanDerWaalsContact OD1-N 3.08Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-Y21 WeakPolarHBondContact CA-O 3.45Å; R18-L23 HydrophobicContact CG-CD1 4.23Å; R18-K41 WeakPolarHBondContact O-CE 3.12Å; R18-K41 PolarHBondContact O-NZ 3.28Å
19D91.5Very high78.4Confident111 Ų11182.7 Ų82.759%0.59441%0.406SS*.Hα-helixtrans-77.8-25.5176-59.7-16.4000111.1N16 I17N16-D19 WeakPolarHBondContact CB-OD2 3.26Å; N16-D19 WeakPolarHBondContact O-CB 3.46Å; N16-D19 PolarHBondContact O-N 3.28Å; I17-D19 PolarHBondContact O-N 2.9Å
20K92.7Very high79Confident46 Ų4682.3 Ų82.320%0.241%0.413CS..Hα-helixtrans-108.5-27-178.2-58.5-169.183.3-150.20113.9I17 R18 K41 E85 L87I17-K20 PolarHBondContact O-N 3.36Å; R18-K20 VanDerWaalsContact C-N 3.33Å; K20-K41 WeakPolarHBondContact O-CB 3.43Å; K20-K41 PolarHBondContact O-N 3.4Å; K20-E85 IonicContact NZ-OE1 2.74Å; K20-E85 PolarHBondContact NZ-OE1 2.9Å; K20-E85 IonicContact NZ-OE2 3.64Å; K20-E85 PolarHBondContact NZ-OE2 3.43Å; K20-L87 HydrophobicContact CD-CD1 4.17Å; K20-L87 HydrophobicContact CD-CD2 4.46Å
21Y95.1Very high79.5Confident12 Ų1278.5 Ų78.55%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-132.4139.1-173.2-67-80.5000112.5I17 R18 A38 E39 V48 I50 E85 L87 V96I17-Y21 HydrophobicContact CD1-CD2 3.69Å; I17-Y21 HydrophobicContact CD1-CE2 4.37Å; I17-Y21 PolarHBondContact O-N 2.98Å; R18-Y21 WeakPolarHBondContact CA-O 3.45Å; Y21-A38 HydrophobicContact CD1-CB 4.43Å; Y21-E39 CarbonylContact C-O 3.58Å; Y21-E39 VanDerWaalsContact CA-O 3.27Å; Y21-E39 WeakPolarHBondContact CA-O 3.28Å; Y21-V48 HydrophobicContact CD1-CG2 3.74Å; Y21-V48 HydrophobicContact CE1-CG1 4.39Å; Y21-V48 HydrophobicContact CE1-CG2 3.63Å; Y21-I50 HydrophobicContact CD1-CD1 4.4Å; Y21-I50 HydrophobicContact CD2-CD1 4.28Å; Y21-I50 HydrophobicContact CG-CD1 3.99Å; Y21-E85 VanDerWaalsContact CE2-OE1 3.28Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.24Å; Y21-E85 PolarHBondContact OH-OE1 2.9Å; Y21-L87 HydrophobicContact CD2-CD1 4.28Å; Y21-L87 HydrophobicContact CE2-CD1 4Å; Y21-V96 HydrophobicContact CE1-CG1 4.16Å; Y21-V96 HydrophobicContact CE2-CG1 4.25Å; Y21-V96 HydrophobicContact CE2-CG2 3.98Å
22D94.7Very high80.2Confident75 Ų7578.1 Ų78.140%0.40139%0.389SS..EExtended strand (participates in β ladder)trans-87.2106.1166.2-74.4-45.7000109.3A38 E39 K41D22-A38 CarbonylContact O-C 3.58Å; D22-A38 WeakPolarHBondContact O-CA 3.11Å; D22-A38 WeakPolarHBondContact O-CB 3.3Å; D22-E39 PolarHBondContact N-O 3.17Å; D22-E39 PolarHBondContact O-N 3.28Å; D22-K41 WeakPolarHBondContact OD1-CE 3.15Å; D22-K41 IonicContact OD1-NZ 2.71Å; D22-K41 PolarHBondContact OD1-NZ 3.26Å; D22-K41 WeakPolarHBondContact OD2-CE 3.48Å
23L93.9Very high80.9Confident58 Ų5876 Ų7630%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-74.6125.8-179.5-55.6-176000110.1I17 R18 I36 A38 I50I17-L23 HydrophobicContact CG1-CD2 4.12Å; I17-L23 HydrophobicContact CG2-CD1 4.09Å; R18-L23 HydrophobicContact CG-CD1 4.23Å; L23-I36 HydrophobicContact CB-CG2 4.2Å; L23-I36 HydrophobicContact CD2-CG2 4.41Å; L23-A38 HydrophobicContact CD2-CB 3.91Å; L23-I50 HydrophobicContact CD2-CD1 3.8Å
24R92.2Very high81.8Confident116 Ų11673.5 Ų73.544%0.43838%0.378SS..EExtended strand (participates in β ladder)trans-108.4-142.4-179.9-54.4-172.3176.5-168.5-0.9110.6L37 E39R24-L37 WeakPolarHBondContact CA-O 3.43Å; R24-L37 HydrophobicContact CB-CB 4.28Å; R24-L37 HydrophobicContact CB-CD2 4.31Å; R24-L37 HydrophobicContact CB-CG 4.19Å; R24-L37 VanDerWaalsContact CB-O 3.3Å; R24-L37 WeakPolarHBondContact CB-O 3.49Å; R24-L37 PolarHBondContact N-O 3.18Å; R24-E39 IonicContact CZ-OE2 3.7Å; R24-E39 IonicContact NE-OE2 2.84Å; R24-E39 VanDerWaalsContact NH2-CD 3.25Å; R24-E39 IonicContact NH2-OE1 2.7Å; R24-E39 IonicContact NH2-OE2 3.29Å; R24-E39 PolarHBondContact NH2-OE2 3.01Å
25Q89.3Confident82.2Confident127 Ų12768.4 Ų68.459%0.59336%0.362SS*.EExtended strand (participates in β ladder)trans-68.3156.9-178.569.5-131.750.200113.4L37Q25-L37 HydrophobicContact CG-CB 4.3Å; Q25-L37 HydrophobicContact CG-CD2 4.28Å; Q25-L37 PolarHBondContact O-N 2.84Å
26E87.2Confident82.7Confident110 Ų11067.5 Ų67.551%0.51436%0.355SS..EExtended strand (participates in β ladder)trans-73.1132169.2-169.1171.9122.600110.1A29E26-A29 VanDerWaalsContact OE1-CB 3.28Å; E26-A29 WeakPolarHBondContact OE1-CB 3.27Å
27L77.3Confident83Confident85 Ų8564.4 Ų64.445%0.44534%0.338SS..EExtended strand (participates in β ladder)trans-93.2-25174.8-63.3176.5000111.7V35 L37 A49 L99L27-V35 HydrophobicContact CB-CB 4.41Å; L27-V35 HydrophobicContact CB-CG1 4.18Å; L27-V35 HydrophobicContact CD1-CG1 4.3Å; L27-V35 PolarHBondContact N-O 3.1Å; L27-L37 HydrophobicContact CD1-CB 3.98Å; L27-L37 HydrophobicContact CD2-CB 3.97Å; L27-L37 HydrophobicContact CG-CB 3.89Å; L27-A49 HydrophobicContact CD1-CB 4.19Å; L27-L99 HydrophobicContact CD1-CD1 3.55Å
28G69.9Low83.2Confident30 Ų3064.2 Ų64.231%0.30934%0.337SS..EExtended strand (participates in β ladder)trans177.1163.5173.800000112.8K34 V35G28-K34 CarbonylContact O-C 3.55Å; G28-V35 PolarHBondContact N-O 2.88Å; G28-V35 PolarHBondContact O-N 3.26Å
29A69.3Low83.3Confident76 Ų7658.2 Ų58.263%0.62832%0.316SS*.EExtended strand (participates in β ladder)trans-130.4143.7175.500000111.5E26E26-A29 VanDerWaalsContact OE1-CB 3.28Å; E26-A29 WeakPolarHBondContact OE1-CB 3.27Å
30G60.2Low83.4Confident40 Ų4053.4 Ų53.441%0.41229%0.292SS..  trans-124-177.8169.100000110.8F32 S33G30-F32 VanDerWaalsContact C-N 3.27Å; G30-F32 PolarHBondContact O-N 3.07Å; G30-S33 PolarHBondContact N-O 3.39Å
31A59.7Low83.4Confident31 Ų3155.8 Ų55.826%0.25630%0.302SS..SBendtrans-56.7-36.5-173.700000114.6A294A31-A294 HydrophobicContact CB-CB 3.43Å; A31-A294 VanDerWaalsContact CB-CB 3.43Å
32F67.1Low83.3Confident81 Ų8163 Ų6336%0.35534%0.336SS..SBendtrans-121.8-3.8-173-44.2-71.8000113.3G30 Q54 L57 A294 L298G30-F32 VanDerWaalsContact C-N 3.27Å; G30-F32 PolarHBondContact O-N 3.07Å; F32-Q54 PolarHBondContact O-N 3.05Å; F32-L57 HydrophobicContact CB-CD1 4.39Å; F32-L57 HydrophobicContact CD1-CB 3.98Å; F32-L57 HydrophobicContact CD1-CD1 4.19Å; F32-A294 HydrophobicContact CE2-CB 4.38Å; F32-A294 HydrophobicContact CZ-CB 3.92Å; F32-L298 HydrophobicContact CD1-CD1 4Å; F32-L298 HydrophobicContact CE1-CD1 3.55Å; F32-L298 HydrophobicContact CE1-CD2 3.99Å; F32-L298 HydrophobicContact CE1-CG 3.86Å
33S74.2Confident83.2Confident26 Ų2663 Ų6318%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-146.9149.6-169.866.10000112.5G30 C52G30-S33 PolarHBondContact N-O 3.39Å; S33-C52 CarbonylContact C-O 3.56Å; S33-C52 WeakPolarHBondContact CA-O 3.44Å; S33-C52 VanDerWaalsContact CB-O 3.3Å; S33-C52 WeakPolarHBondContact CB-O 3.42Å
34K82.7Confident83Confident95 Ų9565.4 Ų65.441%0.41336%0.358SS..EExtended strand (participates in β ladder)trans-119.8145.2167.159.4179.6-178.6169.20109.6G28 I36 K51 C52G28-K34 CarbonylContact O-C 3.55Å; K34-I36 HydrophobicContact CD-CD1 3.94Å; K34-I36 HydrophobicContact CD-CG1 4.33Å; K34-I36 HydrophobicContact CG-CD1 4.28Å; K34-I36 HydrophobicContact CG-CG1 4.33Å; K34-K51 CarbonylContact O-C 3.58Å; K34-K51 WeakPolarHBondContact O-CA 3.5Å; K34-C52 HydrophobicContact CG-CB 3.81Å; K34-C52 PolarHBondContact N-O 3.21Å; K34-C52 PolarHBondContact O-N 3.45Å
35V84.5Confident82.8Confident39 Ų3962.6 Ų62.624%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-106122.8176.1-173.30000107.4L27 G28 A49 I50 K51L27-V35 HydrophobicContact CB-CB 4.41Å; L27-V35 HydrophobicContact CB-CG1 4.18Å; L27-V35 HydrophobicContact CD1-CG1 4.3Å; L27-V35 PolarHBondContact N-O 3.1Å; G28-V35 PolarHBondContact N-O 2.88Å; G28-V35 PolarHBondContact O-N 3.26Å; V35-A49 HydrophobicContact CG1-CB 4.12Å; V35-I50 CarbonylContact C-O 3.58Å; V35-I50 WeakPolarHBondContact CA-O 3.39Å; V35-K51 HydrophobicContact CG2-CB 4.41Å; V35-K51 HydrophobicContact CG2-CG 4.27Å
36I89.5Confident83Confident13 Ų1361 Ų617%0.06735%0.354CS..EExtended strand (participates in β ladder)trans-117.6136-175.9-64.2179.4000109L23 K34 I50L23-I36 HydrophobicContact CB-CG2 4.2Å; L23-I36 HydrophobicContact CD2-CG2 4.41Å; K34-I36 HydrophobicContact CD-CD1 3.94Å; K34-I36 HydrophobicContact CD-CG1 4.33Å; K34-I36 HydrophobicContact CG-CD1 4.28Å; K34-I36 HydrophobicContact CG-CG1 4.33Å; I36-I50 PolarHBondContact N-O 3.12Å; I36-I50 PolarHBondContact O-N 2.85Å
37L91.2Very high83.2Confident14 Ų1458.6 Ų58.67%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-70.6131.5165.7175.462.1000108.7R24 Q25 L27 L47 L99R24-L37 WeakPolarHBondContact CA-O 3.43Å; R24-L37 HydrophobicContact CB-CB 4.28Å; R24-L37 HydrophobicContact CB-CD2 4.31Å; R24-L37 HydrophobicContact CB-CG 4.19Å; R24-L37 VanDerWaalsContact CB-O 3.3Å; R24-L37 WeakPolarHBondContact CB-O 3.49Å; R24-L37 PolarHBondContact N-O 3.18Å; Q25-L37 HydrophobicContact CG-CB 4.3Å; Q25-L37 HydrophobicContact CG-CD2 4.28Å; Q25-L37 PolarHBondContact O-N 2.84Å; L27-L37 HydrophobicContact CD1-CB 3.98Å; L27-L37 HydrophobicContact CD2-CB 3.97Å; L27-L37 HydrophobicContact CG-CB 3.89Å; L37-L47 HydrophobicContact CD1-CB 4.18Å; L37-L47 HydrophobicContact CD1-CD1 4.48Å; L37-L47 HydrophobicContact CD1-CD2 4.45Å; L37-L99 HydrophobicContact CD1-CD1 3.81Å; L37-L99 HydrophobicContact CD1-CD2 3.48Å; L37-L99 VanDerWaalsContact CD1-CD2 3.48Å; L37-L99 HydrophobicContact CD1-CG 4.26Å
38A93.7Very high84Confident0 Ų054.6 Ų54.60%032%0.323CS..EExtended strand (participates in β ladder)trans-139.5160.8173.700000111.9Y21 D22 L23 L47 V48 I50Y21-A38 HydrophobicContact CD1-CB 4.43Å; D22-A38 CarbonylContact O-C 3.58Å; D22-A38 WeakPolarHBondContact O-CA 3.11Å; D22-A38 WeakPolarHBondContact O-CB 3.3Å; L23-A38 HydrophobicContact CD2-CB 3.91Å; A38-L47 CarbonylContact O-C 3.54Å; A38-L47 WeakPolarHBondContact O-CA 3.27Å; A38-V48 HydrophobicContact CB-CG2 4Å; A38-V48 PolarHBondContact N-O 3.23Å; A38-V48 PolarHBondContact O-N 3.1Å; A38-I50 HydrophobicContact CB-CD1 3.37Å; A38-I50 HydrophobicContact CB-CG1 3.95Å
39E93.6Very high84.9Confident38 Ų3853.6 Ų53.618%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-115.4139.4175-175.3175.3-153.100110.1Y21 D22 R24 G45 L47Y21-E39 CarbonylContact C-O 3.58Å; Y21-E39 VanDerWaalsContact CA-O 3.27Å; Y21-E39 WeakPolarHBondContact CA-O 3.28Å; D22-E39 PolarHBondContact N-O 3.17Å; D22-E39 PolarHBondContact O-N 3.28Å; R24-E39 IonicContact CZ-OE2 3.7Å; R24-E39 IonicContact NE-OE2 2.84Å; R24-E39 VanDerWaalsContact NH2-CD 3.25Å; R24-E39 IonicContact NH2-OE1 2.7Å; R24-E39 IonicContact NH2-OE2 3.29Å; R24-E39 PolarHBondContact NH2-OE2 3.01Å; E39-G45 WeakPolarHBondContact OE1-CA 3.49Å; E39-G45 PolarHBondContact OE1-N 3.25Å; E39-L47 HydrophobicContact CB-CD2 3.79Å; E39-L47 HydrophobicContact CG-CD2 4.06Å
40S93.1Very high85.9Confident10 Ų1050 Ų507%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-68.7128.5174.5179.60000111.3E42 T43 Y46S40-E42 VanDerWaalsContact C-N 3.34Å; S40-E42 PolarHBondContact OG-N 2.86Å; S40-T43 CarbonylContact O-C 3.3Å; S40-T43 VanDerWaalsContact O-C 3.3Å; S40-T43 PolarHBondContact OG-N 3.18Å; S40-Y46 PolarHBondContact N-O 3.34Å
41K93.6Very high87.2Confident95 Ų9549.6 Ų49.641%0.41327%0.269SS..SBendtrans-72.8-28.9172.6-68.9-174.5169.6-171.50113.1R18 K20 D22R18-K41 WeakPolarHBondContact O-CE 3.12Å; R18-K41 PolarHBondContact O-NZ 3.28Å; K20-K41 WeakPolarHBondContact O-CB 3.43Å; K20-K41 PolarHBondContact O-N 3.4Å; D22-K41 WeakPolarHBondContact OD1-CE 3.15Å; D22-K41 IonicContact OD1-NZ 2.71Å; D22-K41 PolarHBondContact OD1-NZ 3.26Å; D22-K41 WeakPolarHBondContact OD2-CE 3.48Å
42E92.6Very high88.6Confident165 Ų16548.2 Ų48.277%0.77126%0.258SS*.SBendtrans-75.5-30.1177.8-174.6175.5-179.400111.4S40S40-E42 VanDerWaalsContact C-N 3.34Å; S40-E42 PolarHBondContact OG-N 2.86Å
43T92.2Very high89.4Confident75 Ų7544.9 Ų44.946%0.4624%0.243SC..SBendtrans-133.986.2-178.8-47.20000109.6S40 G45 Y46S40-T43 CarbonylContact O-C 3.3Å; S40-T43 VanDerWaalsContact O-C 3.3Å; S40-T43 PolarHBondContact OG-N 3.18Å; T43-G45 PolarHBondContact O-N 3.09Å; T43-Y46 VanDerWaalsContact O-CB 3.27Å; T43-Y46 WeakPolarHBondContact O-CB 3.26Å; T43-Y46 PolarHBondContact O-N 3.02Å
44P89.9Confident89.9Confident108 Ų10848.1 Ų48.170%0.70126%0.255SS*.THydrogen-bonded Turntrans-52.8138176.8-26.335000111.6Y46P44-Y46 VanDerWaalsContact C-N 3.31Å
45G88.9Confident90Very high56 Ų5645.7 Ų45.758%0.57725%0.245SC*.THydrogen-bonded Turntrans87.1-14.9-173.500000114.9E39 T43 L47E39-G45 WeakPolarHBondContact OE1-CA 3.49Å; E39-G45 PolarHBondContact OE1-N 3.25Å; T43-G45 PolarHBondContact O-N 3.09Å; G45-L47 PolarHBondContact O-N 3.36Å
46Y92.7Very high89.8Confident95 Ų9551 Ų5137%0.37327%0.265SS..  trans-83.4102177.7-173.9-118.3000111S40 T43 P44 V48 I84 D98S40-Y46 PolarHBondContact N-O 3.34Å; T43-Y46 VanDerWaalsContact O-CB 3.27Å; T43-Y46 WeakPolarHBondContact O-CB 3.26Å; T43-Y46 PolarHBondContact O-N 3.02Å; P44-Y46 VanDerWaalsContact C-N 3.31Å; Y46-V48 HydrophobicContact CD1-CG1 4.04Å; Y46-V48 HydrophobicContact CE1-CG1 3.64Å; Y46-I84 HydrophobicContact CE1-CD1 4.21Å; Y46-I84 VanDerWaalsContact OH-CD1 3.27Å; Y46-I84 WeakPolarHBondContact OH-CD1 3.42Å; Y46-D98 PolarHBondContact OH-OD1 3.04Å
47L92Very high89Confident59 Ų5953 Ų5331%0.30928%0.276SS..EExtended strand (participates in β ladder)trans-89.6143-179.9-59177000112.2L37 A38 E39 G45 L99L37-L47 HydrophobicContact CD1-CB 4.18Å; L37-L47 HydrophobicContact CD1-CD1 4.48Å; L37-L47 HydrophobicContact CD1-CD2 4.45Å; A38-L47 CarbonylContact O-C 3.54Å; A38-L47 WeakPolarHBondContact O-CA 3.27Å; E39-L47 HydrophobicContact CB-CD2 3.79Å; E39-L47 HydrophobicContact CG-CD2 4.06Å; G45-L47 PolarHBondContact O-N 3.36Å; L47-L99 HydrophobicContact CB-CD2 3.7Å; L47-L99 HydrophobicContact CD1-CD2 4.21Å
48V92.5Very high88.1Confident0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-137.2157.9-178.4-63.20000110.9Y21 A38 Y46 I50 I84 V96 M97Y21-V48 HydrophobicContact CD1-CG2 3.74Å; Y21-V48 HydrophobicContact CE1-CG1 4.39Å; Y21-V48 HydrophobicContact CE1-CG2 3.63Å; A38-V48 HydrophobicContact CB-CG2 4Å; A38-V48 PolarHBondContact N-O 3.23Å; A38-V48 PolarHBondContact O-N 3.1Å; Y46-V48 HydrophobicContact CD1-CG1 4.04Å; Y46-V48 HydrophobicContact CE1-CG1 3.64Å; V48-I50 HydrophobicContact CG2-CD1 4.28Å; V48-I50 HydrophobicContact CG2-CG1 4.02Å; V48-I84 HydrophobicContact CB-CD1 4.43Å; V48-I84 HydrophobicContact CG1-CD1 3.61Å; V48-V96 HydrophobicContact CB-CG1 3.94Å; V48-V96 HydrophobicContact CG1-CG1 4.15Å; V48-V96 HydrophobicContact CG2-CG1 3.85Å; V48-M97 WeakPolarHBondContact CB-O 3.18Å
49A89.6Confident87Confident9 Ų961.5 Ų61.57%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-100.7130.1167.300000109.6L27 V35 M97 L99L27-A49 HydrophobicContact CD1-CB 4.19Å; V35-A49 HydrophobicContact CG1-CB 4.12Å; A49-M97 PolarHBondContact N-O 2.9Å; A49-M97 PolarHBondContact O-N 2.93Å; A49-L99 HydrophobicContact CB-CD1 4.05Å
50I91.2Very high86Confident0 Ų063.1 Ų63.10%034%0.34CS..EExtended strand (participates in β ladder)trans-115.7109.7-179-54.6-177000109.4I17 Y21 L23 V35 I36 A38 V48 C52 Y94 L95 V96I17-I50 HydrophobicContact CD1-CD1 4.09Å; I17-I50 HydrophobicContact CG1-CD1 4.24Å; Y21-I50 HydrophobicContact CD1-CD1 4.4Å; Y21-I50 HydrophobicContact CD2-CD1 4.28Å; Y21-I50 HydrophobicContact CG-CD1 3.99Å; L23-I50 HydrophobicContact CD2-CD1 3.8Å; V35-I50 CarbonylContact C-O 3.58Å; V35-I50 WeakPolarHBondContact CA-O 3.39Å; I36-I50 PolarHBondContact N-O 3.12Å; I36-I50 PolarHBondContact O-N 2.85Å; A38-I50 HydrophobicContact CB-CD1 3.37Å; A38-I50 HydrophobicContact CB-CG1 3.95Å; V48-I50 HydrophobicContact CG2-CD1 4.28Å; V48-I50 HydrophobicContact CG2-CG1 4.02Å; I50-C52 PolarHBondContact O-N 3.41Å; I50-Y94 HydrophobicContact CG2-CD1 3.99Å; I50-Y94 HydrophobicContact CG2-CG 4.46Å; I50-L95 WeakPolarHBondContact CA-O 3.3Å; I50-V96 HydrophobicContact CD1-CG2 4.49Å; I50-V96 HydrophobicContact CG1-CG1 4.41Å; I50-V96 HydrophobicContact CG1-CG2 4.36Å
51K86.8Confident84.9Confident32 Ų3269.4 Ų69.414%0.13937%0.366CS..EExtended strand (participates in β ladder)trans-81.4104.6170.5-168.5175.8-174.6-178.90108.5K34 V35 I53 Y94 L95 M97 D145K34-K51 CarbonylContact O-C 3.58Å; K34-K51 WeakPolarHBondContact O-CA 3.5Å; V35-K51 HydrophobicContact CG2-CB 4.41Å; V35-K51 HydrophobicContact CG2-CG 4.27Å; K51-I53 HydrophobicContact CD-CD1 4.4Å; K51-I53 HydrophobicContact CG-CD1 4.29Å; K51-I53 HydrophobicContact CG-CG1 4.11Å; K51-Y94 WeakPolarHBondContact O-CA 3.36Å; K51-L95 HydrophobicContact CB-CB 4.24Å; K51-L95 PolarHBondContact N-O 3.07Å; K51-L95 PolarHBondContact O-N 3.1Å; K51-M97 HydrophobicContact CB-CE 3.7Å; K51-D145 IonicContact NZ-OD1 2.67Å; K51-D145 PolarHBondContact NZ-OD1 2.95Å; K51-D145 VanDerWaalsContact NZ-OD1 3.1Å
52C88.7Confident83.8Confident3 Ų368.9 Ų68.92%0.0237%0.365CS..EExtended strand (participates in β ladder)trans-88.9121175.7-490000109.5S33 K34 I50 Y93 Y94S33-C52 CarbonylContact C-O 3.56Å; S33-C52 WeakPolarHBondContact CA-O 3.44Å; S33-C52 VanDerWaalsContact CB-O 3.3Å; S33-C52 WeakPolarHBondContact CB-O 3.42Å; K34-C52 HydrophobicContact CG-CB 3.81Å; K34-C52 PolarHBondContact N-O 3.21Å; K34-C52 PolarHBondContact O-N 3.45Å; I50-C52 PolarHBondContact O-N 3.41Å; C52-Y93 CarbonylContact C-O 3.52Å; C52-Y93 WeakPolarHBondContact CA-O 3.4Å; C52-Y94 HydrophobicContact CB-CD1 4.03Å; C52-Y94 HydrophobicContact CB-CE1 4.06Å; C52-Y94 VanDerWaalsContact SG-CD1 3.59Å
53I85.1Confident82.7Confident10 Ų1068.4 Ų68.45%0.05136%0.363CS..EExtended strand (participates in β ladder)trans-120.7124.9-175.3-54.6166.5000109K51 K55 L58 M65 N92 Y93 L95K51-I53 HydrophobicContact CD-CD1 4.4Å; K51-I53 HydrophobicContact CG-CD1 4.29Å; K51-I53 HydrophobicContact CG-CG1 4.11Å; I53-K55 PolarHBondContact O-N 3.12Å; I53-L58 HydrophobicContact CG2-CD1 3.51Å; I53-L58 HydrophobicContact CG2-CD2 4.49Å; I53-L58 HydrophobicContact CG2-CG 4.12Å; I53-M65 HydrophobicContact CB-CE 3.84Å; I53-M65 HydrophobicContact CD1-CE 3.34Å; I53-M65 HydrophobicContact CG1-CE 4.15Å; I53-M65 HydrophobicContact CG2-CE 3.91Å; I53-N92 CarbonylContact O-C 3.56Å; I53-N92 VanDerWaalsContact O-CA 3.23Å; I53-N92 WeakPolarHBondContact O-CA 3.44Å; I53-Y93 PolarHBondContact N-O 3.28Å; I53-Y93 PolarHBondContact O-N 3.23Å; I53-L95 HydrophobicContact CD1-CD1 3.9Å; I53-L95 HydrophobicContact CD1-CG 4.16Å
54Q83.4Confident81.4Confident94 Ų9467.7 Ų67.744%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-77.9121.1-175-60.4-176.426.600111.5F32 K56 L57 N92F32-Q54 PolarHBondContact O-N 3.05Å; Q54-K56 PolarHBondContact O-N 3.15Å; Q54-L57 HydrophobicContact CB-CB 4.4Å; Q54-L57 HydrophobicContact CB-CD1 3.98Å; Q54-L57 HydrophobicContact CB-CG 4Å; Q54-L57 HydrophobicContact CG-CD1 4.33Å; Q54-L57 PolarHBondContact O-N 2.66Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; Q54-N92 WeakPolarHBondContact CG-OD1 3.42Å
55K85.1Confident80.4Confident44 Ų4462.8 Ų62.819%0.19133%0.329CS..G310 helixtrans-57.7-37.8178.2-67.7-173.3171.1-173.60112.4I53 L57 L58 E88 D89 S91 Y93I53-K55 PolarHBondContact O-N 3.12Å; K55-L57 PolarHBondContact O-N 3.43Å; K55-L58 PolarHBondContact O-N 3Å; K55-E88 IonicContact NZ-OE2 3.59Å; K55-E88 PolarHBondContact NZ-OE2 3.38Å; K55-D89 WeakPolarHBondContact CE-O 3.3Å; K55-D89 PolarHBondContact NZ-O 3.05Å; K55-S91 WeakPolarHBondContact CB-O 3.47Å; K55-S91 WeakPolarHBondContact CG-O 3.38Å; K55-S91 PolarHBondContact N-O 3.36Å; K55-Y93 HydrophobicContact CD-CD2 4.38Å; K55-Y93 HydrophobicContact CD-CE2 4.06Å; K55-Y93 VanDerWaalsContact CE-CZ 3.47Å; K55-Y93 HydrophobicContact CG-CD2 3.64Å; K55-Y93 HydrophobicContact CG-CE2 3.53Å; K55-Y93 HydrophobicContact CG-CG 4.44Å
56K79.9Confident79.6Confident152 Ų15262.5 Ų62.566%0.66131%0.312SS*.G310 helixtrans-59.1-33.7179.8-174.1-179.8175.5-174.60112.5Q54 L58Q54-K56 PolarHBondContact O-N 3.15Å; K56-L58 VanDerWaalsContact C-N 3.31Å
57L73.4Confident78.3Confident55 Ų5560.3 Ų60.329%0.28831%0.307SS..G310 helixtrans-83.4-9.3-178.8-59.6179.1000112.9F32 Q54 K55 L298F32-L57 HydrophobicContact CB-CD1 4.39Å; F32-L57 HydrophobicContact CD1-CB 3.98Å; F32-L57 HydrophobicContact CD1-CD1 4.19Å; Q54-L57 HydrophobicContact CB-CB 4.4Å; Q54-L57 HydrophobicContact CB-CD1 3.98Å; Q54-L57 HydrophobicContact CB-CG 4Å; Q54-L57 HydrophobicContact CG-CD1 4.33Å; Q54-L57 PolarHBondContact O-N 2.66Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; K55-L57 PolarHBondContact O-N 3.43Å; L57-L298 HydrophobicContact CD2-CD1 4.11Å; L57-L298 HydrophobicContact CD2-CD2 4.49Å
58L72Confident77.1Confident24 Ų2458.9 Ų58.913%0.12630%0.298CS..G310 helixtrans-103.66.6-179.5-69.7173.5000113.9I53 K55 K56 G60 K61 M65 Y93I53-L58 HydrophobicContact CG2-CD1 3.51Å; I53-L58 HydrophobicContact CG2-CD2 4.49Å; I53-L58 HydrophobicContact CG2-CG 4.12Å; K55-L58 PolarHBondContact O-N 3Å; K56-L58 VanDerWaalsContact C-N 3.31Å; L58-G60 PolarHBondContact O-N 3.11Å; L58-G60 VanDerWaalsContact O-N 3.1Å; L58-K61 WeakPolarHBondContact O-CA 3.48Å; L58-K61 PolarHBondContact O-N 3.06Å; L58-M65 HydrophobicContact CD1-CB 4.5Å; L58-M65 HydrophobicContact CD1-CE 3.97Å; L58-M65 HydrophobicContact CD1-CG 4.3Å; L58-M65 HydrophobicContact CD1-SD 3.18Å; L58-M65 WeakPolarHBondContact CD1-SD 3.45Å; L58-Y93 HydrophobicContact CD1-CD2 4.09Å; L58-Y93 HydrophobicContact CD1-CE2 4.22Å
59K71.3Confident76.1Confident167 Ų16758.9 Ų58.973%0.72630%0.299SS*.THydrogen-bonded Turntrans-53.5118.9179.9-78.9-170.6173.8-167.90111.1E62K59-E62 WeakPolarHBondContact CA-OE1 3.31Å
60G71.5Confident75.2Confident72 Ų7260.7 Ų60.774%0.74231%0.307SS*.THydrogen-bonded Turntrans91.7-1.2-176.800000114.9L58 E62L58-G60 PolarHBondContact O-N 3.11Å; L58-G60 VanDerWaalsContact O-N 3.1Å; G60-E62 VanDerWaalsContact CA-OE2 3.31Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact N-OE1 3.15Å; G60-E62 PolarHBondContact N-OE2 2.85Å
61K69.6Low74.1Confident142 Ų14261.7 Ų61.762%0.61731%0.313SS*.  trans-12615179-64.8-171.2177.3-173.80112.7L58 E63 S64 M65L58-K61 WeakPolarHBondContact O-CA 3.48Å; L58-K61 PolarHBondContact O-N 3.06Å; K61-E63 VanDerWaalsContact C-N 3.28Å; K61-E63 PolarHBondContact O-N 2.78Å; K61-S64 WeakPolarHBondContact O-CB 3.49Å; K61-S64 PolarHBondContact O-N 3.14Å; K61-S64 VanDerWaalsContact O-N 3.14Å; K61-M65 PolarHBondContact O-N 3.23Å; K61-M65 VanDerWaalsContact O-N 3.16Å
62E71.4Confident73.2Confident85 Ų8560.6 Ų60.640%0.39731%0.309SS..Hα-helixtrans-59.4-37.7-177.2-65.488.3163.800112.4K59 G60 M65 Q66K59-E62 WeakPolarHBondContact CA-OE1 3.31Å; G60-E62 VanDerWaalsContact CA-OE2 3.31Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact N-OE1 3.15Å; G60-E62 PolarHBondContact N-OE2 2.85Å; E62-M65 PolarHBondContact O-N 2.73Å; E62-Q66 PolarHBondContact O-N 3.35Å
63E70Confident72.4Confident155 Ų15561.2 Ų61.272%0.72431%0.313SS*.Hα-helixtrans-66.5-39.9176.8-170.3177.3-169.700112.4K61 M65 Q66 N67K61-E63 VanDerWaalsContact C-N 3.28Å; K61-E63 PolarHBondContact O-N 2.78Å; E63-M65 VanDerWaalsContact C-N 3.28Å; E63-M65 PolarHBondContact O-N 2.83Å; E63-Q66 WeakPolarHBondContact O-CB 3.44Å; E63-Q66 PolarHBondContact O-N 2.79Å; E63-Q66 VanDerWaalsContact O-N 3.15Å; E63-N67 PolarHBondContact O-N 2.82Å
64S63.9Low71.8Confident60 Ų6068.9 Ų68.942%0.4234%0.341SS..Hα-helixtrans-60.7-40.7174.6-167.70000111.3K61 N67 E68K61-S64 WeakPolarHBondContact O-CB 3.49Å; K61-S64 PolarHBondContact O-N 3.14Å; K61-S64 VanDerWaalsContact O-N 3.14Å; S64-N67 PolarHBondContact O-N 3.36Å; S64-E68 PolarHBondContact O-N 3.1Å
65M70.2Confident71.1Confident5 Ų566.6 Ų66.63%0.02533%0.332CS..Hα-helixtrans-68.1-36.4175.7-170.1-175-163.700112.5I53 L58 K61 E62 E63 N67 E68 I69 Y93I53-M65 HydrophobicContact CB-CE 3.84Å; I53-M65 HydrophobicContact CD1-CE 3.34Å; I53-M65 HydrophobicContact CG1-CE 4.15Å; I53-M65 HydrophobicContact CG2-CE 3.91Å; L58-M65 HydrophobicContact CD1-CB 4.5Å; L58-M65 HydrophobicContact CD1-CE 3.97Å; L58-M65 HydrophobicContact CD1-CG 4.3Å; L58-M65 HydrophobicContact CD1-SD 3.18Å; L58-M65 WeakPolarHBondContact CD1-SD 3.45Å; K61-M65 PolarHBondContact O-N 3.23Å; K61-M65 VanDerWaalsContact O-N 3.16Å; E62-M65 PolarHBondContact O-N 2.73Å; E63-M65 VanDerWaalsContact C-N 3.28Å; E63-M65 PolarHBondContact O-N 2.83Å; M65-N67 VanDerWaalsContact C-N 3.28Å; M65-N67 PolarHBondContact O-N 3.21Å; M65-E68 WeakPolarHBondContact O-CB 3.17Å; M65-E68 PolarHBondContact O-N 3.4Å; M65-I69 HydrophobicContact CE-CD1 4.41Å; M65-I69 HydrophobicContact CG-CD1 4.27Å; M65-I69 WeakPolarHBondContact O-CG1 3.34Å; M65-I69 PolarHBondContact O-N 3.34Å; M65-Y93 HydrophobicContact CE-CD1 4.39Å; M65-Y93 HydrophobicContact CE-CD2 3.4Å; M65-Y93 HydrophobicContact CE-CE2 4.23Å; M65-Y93 HydrophobicContact CE-CG 3.48Å; M65-Y93 VanDerWaalsContact CE-CG 3.48Å; M65-Y93 HydrophobicContact SD-CD1 4.36Å; M65-Y93 HydrophobicContact SD-CD2 3.09Å; M65-Y93 WeakPolarHBondContact SD-CD2 3.34Å; M65-Y93 HydrophobicContact SD-CE2 3.31Å; M65-Y93 WeakPolarHBondContact SD-CE2 3.48Å; M65-Y93 HydrophobicContact SD-CG 3.66Å
66Q71.3Confident70.4Confident50 Ų5072.6 Ų72.623%0.23435%0.353CS..Hα-helixtrans-60.1-44.1174.1-174.762.85500111.1E62 E63 E68 I69 N70E62-Q66 PolarHBondContact O-N 3.35Å; E63-Q66 WeakPolarHBondContact O-CB 3.44Å; E63-Q66 PolarHBondContact O-N 2.79Å; E63-Q66 VanDerWaalsContact O-N 3.15Å; Q66-E68 VanDerWaalsContact C-N 3.35Å; Q66-I69 PolarHBondContact O-N 3.21Å; Q66-N70 PolarHBondContact NE2-OD1 3.44Å; Q66-N70 VanDerWaalsContact NE2-OD1 3.09Å; Q66-N70 WeakPolarHBondContact O-CB 3.33Å; Q66-N70 PolarHBondContact O-N 3.26Å; Q66-N70 PolarHBondContact O-ND2 3.09Å; Q66-N70 PolarHBondContact O-OD1 2.95Å
67N66Low69.9Low49 Ų4970.1 Ų70.126%0.26234%0.344SS..Hα-helixtrans-63.5-41.5176.8-72.5-17.5000111.3E63 S64 M65 I69 N70 V71E63-N67 PolarHBondContact O-N 2.82Å; S64-N67 PolarHBondContact O-N 3.36Å; M65-N67 VanDerWaalsContact C-N 3.28Å; M65-N67 PolarHBondContact O-N 3.21Å; N67-I69 PolarHBondContact O-N 3.4Å; N67-N70 PolarHBondContact O-N 3Å; N67-V71 WeakPolarHBondContact O-CG2 3.42Å; N67-V71 PolarHBondContact O-N 2.7Å
68E66.3Low69.7Low28 Ų2871 Ų7113%0.13135%0.353CS..Hα-helixtrans-57-50.2174.3-174.5-172.9165.300111.7S64 M65 Q66 N70 V71 L72 G147S64-E68 PolarHBondContact O-N 3.1Å; M65-E68 WeakPolarHBondContact O-CB 3.17Å; M65-E68 PolarHBondContact O-N 3.4Å; Q66-E68 VanDerWaalsContact C-N 3.35Å; E68-N70 VanDerWaalsContact C-N 3.31Å; E68-N70 PolarHBondContact O-N 3.31Å; E68-V71 PolarHBondContact O-N 3.14Å; E68-L72 HydrophobicContact CG-CD1 4.09Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 PolarHBondContact O-N 3.25Å; E68-G147 WeakPolarHBondContact OE1-CA 3.24Å
69I71.4Confident69.5Low1 Ų170.8 Ų70.81%0.00535%0.352CS..Hα-helixtrans-60.7-42.6177.4-71.7166.2000110.9R12 M65 Q66 N67 S73 T86 L95R12-I69 VanDerWaalsContact NH2-CD1 3.32Å; M65-I69 HydrophobicContact CE-CD1 4.41Å; M65-I69 HydrophobicContact CG-CD1 4.27Å; M65-I69 WeakPolarHBondContact O-CG1 3.34Å; M65-I69 PolarHBondContact O-N 3.34Å; Q66-I69 PolarHBondContact O-N 3.21Å; N67-I69 PolarHBondContact O-N 3.4Å; I69-S73 WeakPolarHBondContact O-CB 3.27Å; I69-S73 PolarHBondContact O-N 3.24Å; I69-S73 PolarHBondContact O-OG 2.95Å; I69-T86 HydrophobicContact CG1-CG2 4.42Å; I69-T86 HydrophobicContact CG2-CG2 3.83Å; I69-L95 HydrophobicContact CD1-CD2 4.03Å; I69-L95 HydrophobicContact CG1-CD2 3.73Å
70N71.5Confident69.4Low47 Ų4764.2 Ų64.225%0.25133%0.325SS..Hα-helixtrans-64-44-179.7-71.7-15.3000111.5Q66 N67 E68 S73 R74Q66-N70 PolarHBondContact NE2-OD1 3.44Å; Q66-N70 VanDerWaalsContact NE2-OD1 3.09Å; Q66-N70 WeakPolarHBondContact O-CB 3.33Å; Q66-N70 PolarHBondContact O-N 3.26Å; Q66-N70 PolarHBondContact O-ND2 3.09Å; Q66-N70 PolarHBondContact O-OD1 2.95Å; N67-N70 PolarHBondContact O-N 3Å; E68-N70 VanDerWaalsContact C-N 3.31Å; E68-N70 PolarHBondContact O-N 3.31Å; N70-S73 PolarHBondContact O-N 3.5Å; N70-S73 PolarHBondContact O-OG 3.13Å; N70-R74 WeakPolarHBondContact O-CG 3.3Å
71V66.9Low69.7Low21 Ų2161.1 Ų61.113%0.12729%0.291CS..Hα-helixtrans-62.9-54.9176.5172.20000109.9N67 E68 S73 R74 L75N67-V71 WeakPolarHBondContact O-CG2 3.42Å; N67-V71 PolarHBondContact O-N 2.7Å; E68-V71 PolarHBondContact O-N 3.14Å; V71-S73 PolarHBondContact O-N 2.79Å; V71-R74 PolarHBondContact O-N 3.07Å; V71-L75 HydrophobicContact CG1-CD1 4.2Å; V71-L75 PolarHBondContact O-N 2.71Å
72L68.8Low70.2Confident9 Ų959.5 Ų59.55%0.04728%0.281CS..Hα-helixtrans-56.6-37.2179.1-82.5172.7000113E68 R74 L75 L83 L95 F146E68-L72 HydrophobicContact CG-CD1 4.09Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 PolarHBondContact O-N 3.25Å; L72-R74 PolarHBondContact O-N 2.67Å; L72-L75 HydrophobicContact CD2-CD1 4.47Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-L83 HydrophobicContact CB-CB 4.24Å; L72-L83 HydrophobicContact CB-CD2 3.67Å; L72-L95 HydrophobicContact CD1-CD1 4.27Å; L72-F146 HydrophobicContact CD1-CB 4.42Å; L72-F146 HydrophobicContact CD2-CB 3.46Å; L72-F146 VanDerWaalsContact CD2-CB 3.46Å; L72-F146 HydrophobicContact CD2-CD2 3.46Å; L72-F146 VanDerWaalsContact CD2-CD2 3.46Å; L72-F146 HydrophobicContact CD2-CE2 4.43Å; L72-F146 HydrophobicContact CD2-CG 3.62Å; L72-F146 HydrophobicContact CG-CB 3.91Å
73S71.8Confident70.9Confident16 Ų1655.8 Ų55.811%0.11226%0.264CS..Hα-helixtrans-65.8-21.5-179.176.40000114.1R11 I69 N70 V71R11-S73 PolarHBondContact NH1-O 3.35Å; R11-S73 PolarHBondContact NH2-O 3.03Å; I69-S73 WeakPolarHBondContact O-CB 3.27Å; I69-S73 PolarHBondContact O-N 3.24Å; I69-S73 PolarHBondContact O-OG 2.95Å; N70-S73 PolarHBondContact O-N 3.5Å; N70-S73 PolarHBondContact O-OG 3.13Å; V71-S73 PolarHBondContact O-N 2.79Å
74R71.3Confident71.7Confident171 Ų17150.2 Ų50.265%0.64524%0.239SC*.Hα-helixtrans-94.7-18.7-179-65.6173.3-174-175.42.5112.4N70 V71 L72 R76N70-R74 WeakPolarHBondContact O-CG 3.3Å; V71-R74 PolarHBondContact O-N 3.07Å; L72-R74 PolarHBondContact O-N 2.67Å; R74-R76 PolarHBondContact O-N 3.45Å
75L68.7Low72.9Confident46 Ų4648.6 Ų48.624%0.24122%0.224CC..  trans-78.8117-179.7-64174.1000110.5V71 L72 I80 F146V71-L75 HydrophobicContact CG1-CD1 4.2Å; V71-L75 PolarHBondContact O-N 2.71Å; L72-L75 HydrophobicContact CD2-CD1 4.47Å; L72-L75 PolarHBondContact O-N 3.37Å; L75-I80 HydrophobicContact CB-CG2 3.94Å; L75-I80 HydrophobicContact CD1-CG2 4.32Å; L75-I80 HydrophobicContact CD2-CD1 4.28Å; L75-F146 HydrophobicContact CD1-CD1 3.6Å; L75-F146 HydrophobicContact CD1-CD2 4.33Å; L75-F146 HydrophobicContact CD1-CE1 3.46Å; L75-F146 VanDerWaalsContact CD1-CE1 3.46Å; L75-F146 HydrophobicContact CD1-CE2 4.23Å; L75-F146 HydrophobicContact CD1-CG 4.04Å; L75-F146 HydrophobicContact CD1-CZ 3.8Å
76R70.3Confident73.8Confident170 Ų17048.6 Ų48.664%0.64223%0.225SC*.  trans-13597.1170.1-72.1-173.3178.1-179.8-0.2108.6R74R74-R76 PolarHBondContact O-N 3.45Å
77H69.9Low74.8Confident100 Ų10046.3 Ų46.346%0.46321%0.214SC..  trans-143.4142.2179.4-172.1-96.1000109.5N79 I80H77-N79 PolarHBondContact CE1-OD1 3.41Å; H77-N79 PolarHBondContact ND1-N 3.15Å; H77-N79 VanDerWaalsContact ND1-N 3.14Å; H77-N79 PolarHBondContact O-N 3.42Å; H77-I80 HydrophobicContact CB-CB 4.01Å; H77-I80 HydrophobicContact CB-CD1 3.86Å; H77-I80 HydrophobicContact CB-CG1 3.92Å; H77-I80 PolarHBondContact O-N 3.2Å; H77-I80 VanDerWaalsContact O-O 3.08Å
78P70.1Confident75.9Confident73 Ų7345.8 Ų45.847%0.47421%0.21SC..THydrogen-bonded Turntrans-57.5-19.6179.520.6-34.8000115.1R140P78-R140 WeakPolarHBondContact O-CD 3.12Å
79N67.5Low77Confident20 Ų2045.9 Ų45.911%0.10721%0.212CC..THydrogen-bonded Turntrans-107.311.6177.5-55.7102.6000113.3H77 Q126 I141 I142 I143H77-N79 PolarHBondContact CE1-OD1 3.41Å; H77-N79 PolarHBondContact ND1-N 3.15Å; H77-N79 VanDerWaalsContact ND1-N 3.14Å; H77-N79 PolarHBondContact O-N 3.42Å; N79-Q126 PolarHBondContact ND2-NE2 3.42Å; N79-Q126 VanDerWaalsContact ND2-NE2 3.19Å; N79-Q126 PolarHBondContact ND2-OE1 2.76Å; N79-Q126 VanDerWaalsContact ND2-OE1 3.07Å; N79-I141 WeakPolarHBondContact CA-O 3.2Å; N79-I141 WeakPolarHBondContact CB-O 3.47Å; N79-I141 PolarHBondContact ND2-O 3.14Å; N79-I142 WeakPolarHBondContact O-CA 3.19Å; N79-I143 WeakPolarHBondContact O-CB 3.47Å; N79-I143 WeakPolarHBondContact O-CG1 3.48Å; N79-I143 PolarHBondContact O-N 3.41Å
80I69.9Low77.8Confident29 Ų2954.3 Ų54.315%0.14925%0.248CC..BIsolated β-bridgetrans-120.4131.2177.1-68.2179.5000107.8L75 H77 R82 I143 F146L75-I80 HydrophobicContact CB-CG2 3.94Å; L75-I80 HydrophobicContact CD1-CG2 4.32Å; L75-I80 HydrophobicContact CD2-CD1 4.28Å; H77-I80 HydrophobicContact CB-CB 4.01Å; H77-I80 HydrophobicContact CB-CD1 3.86Å; H77-I80 HydrophobicContact CB-CG1 3.92Å; H77-I80 PolarHBondContact O-N 3.2Å; H77-I80 VanDerWaalsContact O-O 3.08Å; I80-R82 PolarHBondContact O-N 3.38Å; I80-R82 VanDerWaalsContact O-N 3.14Å; I80-I143 HydrophobicContact CG1-CB 4.35Å; I80-I143 HydrophobicContact CG1-CD1 4Å; I80-F146 HydrophobicContact CB-CE2 4.29Å; I80-F146 HydrophobicContact CB-CZ 4.16Å; I80-F146 HydrophobicContact CD1-CE1 4.41Å; I80-F146 HydrophobicContact CD1-CZ 3.79Å; I80-F146 HydrophobicContact CG1-CE2 4.37Å; I80-F146 HydrophobicContact CG1-CZ 3.77Å; I80-F146 HydrophobicContact CG2-CD2 4.38Å; I80-F146 HydrophobicContact CG2-CE2 3.35Å; I80-F146 HydrophobicContact CG2-CZ 3.49Å; I80-F146 VanDerWaalsContact CG2-CZ 3.49Å
81V76Confident78.5Confident6 Ų655.5 Ų55.54%0.03626%0.26CS..  trans-58.5124.6175.175.70000108.3L83 M97 D98 V100 I142 I143 T144V81-L83 PolarHBondContact O-N 3.06Å; V81-M97 HydrophobicContact CG1-SD 4.34Å; V81-M97 HydrophobicContact CG2-CB 4.04Å; V81-D98 HydrophobicContact CG2-CB 4.33Å; V81-D98 WeakPolarHBondContact CG2-O 3.45Å; V81-V100 HydrophobicContact CG2-CG2 4.17Å; V81-I142 HydrophobicContact CB-CG2 3.8Å; V81-I143 WeakPolarHBondContact CB-O 3.01Å; V81-I143 WeakPolarHBondContact CG1-O 3.03Å; V81-I143 PolarHBondContact N-O 2.81Å; V81-T144 HydrophobicContact CB-CG2 4.19Å
82R82.1Confident79.5Confident108 Ų10856.1 Ų56.141%0.40826%0.263SS..  trans-78.3128.6-178.5-175.4-177.9168176.7-6.1109.1I80 I84 M97 D98I80-R82 PolarHBondContact O-N 3.38Å; I80-R82 VanDerWaalsContact O-N 3.14Å; R82-I84 PolarHBondContact O-N 2.78Å; R82-M97 VanDerWaalsContact O-CA 3.27Å; R82-M97 WeakPolarHBondContact O-CA 3.41Å; R82-D98 WeakPolarHBondContact CB-OD2 3.38Å; R82-D98 PolarHBondContact O-N 3.44Å; R82-D98 VanDerWaalsContact O-N 3.15Å
83L84.7Confident80.5Confident8 Ų857 Ų574%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-75.3109.4160.8-175.764.3000108.9L72 V81 T86 L95 M97L72-L83 HydrophobicContact CB-CB 4.24Å; L72-L83 HydrophobicContact CB-CD2 3.67Å; V81-L83 PolarHBondContact O-N 3.06Å; L83-T86 HydrophobicContact CD1-CG2 4.04Å; L83-T86 HydrophobicContact CD2-CG2 3.73Å; L83-T86 HydrophobicContact CG-CG2 4.19Å; L83-L95 HydrophobicContact CD1-CB 3.8Å; L83-L95 HydrophobicContact CD1-CD2 4.46Å; L83-M97 HydrophobicContact CD1-CG 4.01Å
84I87.8Confident81.4Confident38 Ų3857.1 Ų57.120%0.19526%0.264CS..EExtended strand (participates in β ladder)trans-74.2-59-179.2-59.4166.3000109.1Y46 V48 R82 V96 D98Y46-I84 HydrophobicContact CE1-CD1 4.21Å; Y46-I84 VanDerWaalsContact OH-CD1 3.27Å; Y46-I84 WeakPolarHBondContact OH-CD1 3.42Å; V48-I84 HydrophobicContact CB-CD1 4.43Å; V48-I84 HydrophobicContact CG1-CD1 3.61Å; R82-I84 PolarHBondContact O-N 2.78Å; I84-V96 HydrophobicContact CB-CG1 4.38Å; I84-V96 WeakPolarHBondContact CB-O 3.39Å; I84-V96 HydrophobicContact CD1-CG1 4.29Å; I84-V96 PolarHBondContact N-O 3.13Å; I84-D98 WeakPolarHBondContact CD1-OD1 3.12Å
85E89.2Confident82.2Confident25 Ų2549 Ų4912%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-151.4165.4177.568.4173.9153.100112.2K20 Y21 L87 V96K20-E85 IonicContact NZ-OE1 2.74Å; K20-E85 PolarHBondContact NZ-OE1 2.9Å; K20-E85 IonicContact NZ-OE2 3.64Å; K20-E85 PolarHBondContact NZ-OE2 3.43Å; Y21-E85 VanDerWaalsContact CE2-OE1 3.28Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.24Å; Y21-E85 PolarHBondContact OH-OE1 2.9Å; E85-L87 HydrophobicContact CG-CG 4.35Å; E85-V96 HydrophobicContact CG-CB 3.86Å; E85-V96 HydrophobicContact CG-CG1 4.47Å; E85-V96 HydrophobicContact CG-CG2 3.84Å; E85-V96 PolarHBondContact N-O 3.1Å; E85-V96 PolarHBondContact O-N 3.34Å
86T88.9Confident83.3Confident6 Ų646.8 Ų46.84%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-121.9129.3173.358.60000110.5I69 L83 Y94 L95I69-T86 HydrophobicContact CG1-CG2 4.42Å; I69-T86 HydrophobicContact CG2-CG2 3.83Å; L83-T86 HydrophobicContact CD1-CG2 4.04Å; L83-T86 HydrophobicContact CD2-CG2 3.73Å; L83-T86 HydrophobicContact CG-CG2 4.19Å; T86-Y94 WeakPolarHBondContact CA-O 3.18Å; T86-L95 HydrophobicContact CG2-CD2 3.64Å
87L90.8Very high84.2Confident2 Ų239.5 Ų39.51%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-121.8155.7178.6-55.6172.9000108.8R13 I17 K20 Y21 E85 Y94 V96R13-L87 HydrophobicContact CB-CD2 4.03Å; I17-L87 HydrophobicContact CD1-CB 4.38Å; I17-L87 HydrophobicContact CD1-CD1 3.35Å; I17-L87 HydrophobicContact CD1-CG 4.43Å; K20-L87 HydrophobicContact CD-CD1 4.17Å; K20-L87 HydrophobicContact CD-CD2 4.46Å; Y21-L87 HydrophobicContact CD2-CD1 4.28Å; Y21-L87 HydrophobicContact CE2-CD1 4Å; E85-L87 HydrophobicContact CG-CG 4.35Å; L87-Y94 HydrophobicContact CB-CD2 4.35Å; L87-Y94 PolarHBondContact N-O 3.14Å; L87-Y94 PolarHBondContact O-N 2.96Å; L87-V96 HydrophobicContact CD1-CG2 4.27Å
88E90.9Very high85Confident38 Ų3837.3 Ų37.318%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-146.9149175.463.8172.8160.900111.7R13 Y14 C15 K55 N92 Y93R13-E88 PolarHBondContact O-N 2.73Å; Y14-E88 HydrophobicContact CD2-CG 4.12Å; C15-E88 PolarHBondContact N-O 3.28Å; K55-E88 IonicContact NZ-OE2 3.59Å; K55-E88 PolarHBondContact NZ-OE2 3.38Å; E88-N92 WeakPolarHBondContact CA-O 3.36Å; E88-Y93 HydrophobicContact CB-CD1 3.84Å; E88-Y93 HydrophobicContact CB-CE1 4.24Å; E88-Y93 WeakPolarHBondContact OE2-CE1 3.45Å
89D89Confident85.7Confident30 Ų3035.6 Ų35.616%0.1617%0.173CC..  trans-124.4-164.4169.167.530.1000110.6K55 S91 N92 Y94K55-D89 WeakPolarHBondContact CE-O 3.3Å; K55-D89 PolarHBondContact NZ-O 3.05Å; D89-S91 PolarHBondContact O-N 3.34Å; D89-S91 WeakPolarHBondContact OD1-CA 3.49Å; D89-S91 PolarHBondContact OD1-N 3.11Å; D89-N92 PolarHBondContact N-O 3.28Å; D89-N92 PolarHBondContact OD1-N 3.26Å; D89-Y94 HydrophobicContact CB-CE2 4.32Å; D89-Y94 VanDerWaalsContact OD2-CE2 3.26Å; D89-Y94 WeakPolarHBondContact OD2-CE2 3.33Å; D89-Y94 PolarHBondContact OD2-OH 2.79Å
90K87Confident86.1Confident177 Ų17735.6 Ų35.677%0.7717%0.174SC*.SBendtrans-63-26178.7-65.6-174-179.9177.90113.5Y14Y14-K90 WeakPolarHBondContact OH-CG 3.28Å
91S86.7Confident86.3Confident72 Ų7237.9 Ų37.950%0.50319%0.189SC..SBendtrans-119.3-28-164.8-61.60000113.3K55 D89K55-S91 WeakPolarHBondContact CB-O 3.47Å; K55-S91 WeakPolarHBondContact CG-O 3.38Å; K55-S91 PolarHBondContact N-O 3.36Å; D89-S91 PolarHBondContact O-N 3.34Å; D89-S91 WeakPolarHBondContact OD1-CA 3.49Å; D89-S91 PolarHBondContact OD1-N 3.11Å
92N89.1Confident86Confident35 Ų3538 Ų3819%0.18719%0.192CC..EExtended strand (participates in β ladder)trans-137.8152.2-171.2-55.8-73.1000112.5I53 Q54 E88 D89 Y94I53-N92 CarbonylContact O-C 3.56Å; I53-N92 VanDerWaalsContact O-CA 3.23Å; I53-N92 WeakPolarHBondContact O-CA 3.44Å; Q54-N92 WeakPolarHBondContact CG-OD1 3.42Å; E88-N92 WeakPolarHBondContact CA-O 3.36Å; D89-N92 PolarHBondContact N-O 3.28Å; D89-N92 PolarHBondContact OD1-N 3.26Å; N92-Y94 HydrophobicContact CB-CE1 4.07Å; N92-Y94 HydrophobicContact CB-CE2 3.9Å; N92-Y94 PolarHBondContact ND2-OH 3.36Å
93Y88.5Confident85.2Confident28 Ų2834.5 Ų34.511%0.1119%0.189CC..EExtended strand (participates in β ladder)trans-97.1146.9157.3-64.6-77.7000109.3C52 I53 K55 L58 M65 E88C52-Y93 CarbonylContact C-O 3.52Å; C52-Y93 WeakPolarHBondContact CA-O 3.4Å; I53-Y93 PolarHBondContact N-O 3.28Å; I53-Y93 PolarHBondContact O-N 3.23Å; K55-Y93 HydrophobicContact CD-CD2 4.38Å; K55-Y93 HydrophobicContact CD-CE2 4.06Å; K55-Y93 VanDerWaalsContact CE-CZ 3.47Å; K55-Y93 HydrophobicContact CG-CD2 3.64Å; K55-Y93 HydrophobicContact CG-CE2 3.53Å; K55-Y93 HydrophobicContact CG-CG 4.44Å; L58-Y93 HydrophobicContact CD1-CD2 4.09Å; L58-Y93 HydrophobicContact CD1-CE2 4.22Å; M65-Y93 HydrophobicContact CE-CD1 4.39Å; M65-Y93 HydrophobicContact CE-CD2 3.4Å; M65-Y93 HydrophobicContact CE-CE2 4.23Å; M65-Y93 HydrophobicContact CE-CG 3.48Å; M65-Y93 VanDerWaalsContact CE-CG 3.48Å; M65-Y93 HydrophobicContact SD-CD1 4.36Å; M65-Y93 HydrophobicContact SD-CD2 3.09Å; M65-Y93 WeakPolarHBondContact SD-CD2 3.34Å; M65-Y93 HydrophobicContact SD-CE2 3.31Å; M65-Y93 WeakPolarHBondContact SD-CE2 3.48Å; M65-Y93 HydrophobicContact SD-CG 3.66Å; E88-Y93 HydrophobicContact CB-CD1 3.84Å; E88-Y93 HydrophobicContact CB-CE1 4.24Å; E88-Y93 WeakPolarHBondContact OE2-CE1 3.45Å
94Y90.8Very high84.4Confident17 Ų1736.6 Ų36.67%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-127.2115179.1-55.9-83.2000109I17 I50 K51 C52 T86 L87 D89 N92I17-Y94 HydrophobicContact CB-CD1 4.33Å; I17-Y94 HydrophobicContact CB-CD2 4.22Å; I17-Y94 HydrophobicContact CB-CE1 4.25Å; I17-Y94 HydrophobicContact CB-CE2 4.13Å; I17-Y94 HydrophobicContact CB-CG 4.32Å; I17-Y94 HydrophobicContact CD1-CD1 4.49Å; I17-Y94 HydrophobicContact CD1-CG 4.19Å; I17-Y94 HydrophobicContact CG1-CD1 4.14Å; I17-Y94 HydrophobicContact CG1-CE1 4.43Å; I17-Y94 HydrophobicContact CG1-CG 4.25Å; I17-Y94 HydrophobicContact CG2-CD1 4.46Å; I17-Y94 HydrophobicContact CG2-CE1 3.93Å; I17-Y94 HydrophobicContact CG2-CE2 4.25Å; I50-Y94 HydrophobicContact CG2-CD1 3.99Å; I50-Y94 HydrophobicContact CG2-CG 4.46Å; K51-Y94 WeakPolarHBondContact O-CA 3.36Å; C52-Y94 HydrophobicContact CB-CD1 4.03Å; C52-Y94 HydrophobicContact CB-CE1 4.06Å; C52-Y94 VanDerWaalsContact SG-CD1 3.59Å; T86-Y94 WeakPolarHBondContact CA-O 3.18Å; L87-Y94 HydrophobicContact CB-CD2 4.35Å; L87-Y94 PolarHBondContact N-O 3.14Å; L87-Y94 PolarHBondContact O-N 2.96Å; D89-Y94 HydrophobicContact CB-CE2 4.32Å; D89-Y94 VanDerWaalsContact OD2-CE2 3.26Å; D89-Y94 WeakPolarHBondContact OD2-CE2 3.33Å; D89-Y94 PolarHBondContact OD2-OH 2.79Å; N92-Y94 HydrophobicContact CB-CE1 4.07Å; N92-Y94 HydrophobicContact CB-CE2 3.9Å; N92-Y94 PolarHBondContact ND2-OH 3.36Å
95L89.1Confident83.4Confident1 Ų135.2 Ų35.21%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-97.1107.3172.3-50.1-175.2000107.9I50 K51 I53 I69 L72 L83 T86 M97I50-L95 WeakPolarHBondContact CA-O 3.3Å; K51-L95 HydrophobicContact CB-CB 4.24Å; K51-L95 PolarHBondContact N-O 3.07Å; K51-L95 PolarHBondContact O-N 3.1Å; I53-L95 HydrophobicContact CD1-CD1 3.9Å; I53-L95 HydrophobicContact CD1-CG 4.16Å; I69-L95 HydrophobicContact CD1-CD2 4.03Å; I69-L95 HydrophobicContact CG1-CD2 3.73Å; L72-L95 HydrophobicContact CD1-CD1 4.27Å; L83-L95 HydrophobicContact CD1-CB 3.8Å; L83-L95 HydrophobicContact CD1-CD2 4.46Å; T86-L95 HydrophobicContact CG2-CD2 3.64Å; L95-M97 HydrophobicContact CB-SD 4.48Å
96V90.7Very high82.4Confident0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-88.4120.1179.2-1730000108.4Y21 V48 I50 I84 E85 L87Y21-V96 HydrophobicContact CE1-CG1 4.16Å; Y21-V96 HydrophobicContact CE2-CG1 4.25Å; Y21-V96 HydrophobicContact CE2-CG2 3.98Å; V48-V96 HydrophobicContact CB-CG1 3.94Å; V48-V96 HydrophobicContact CG1-CG1 4.15Å; V48-V96 HydrophobicContact CG2-CG1 3.85Å; I50-V96 HydrophobicContact CD1-CG2 4.49Å; I50-V96 HydrophobicContact CG1-CG1 4.41Å; I50-V96 HydrophobicContact CG1-CG2 4.36Å; I84-V96 HydrophobicContact CB-CG1 4.38Å; I84-V96 WeakPolarHBondContact CB-O 3.39Å; I84-V96 HydrophobicContact CD1-CG1 4.29Å; I84-V96 PolarHBondContact N-O 3.13Å; E85-V96 HydrophobicContact CG-CB 3.86Å; E85-V96 HydrophobicContact CG-CG1 4.47Å; E85-V96 HydrophobicContact CG-CG2 3.84Å; E85-V96 PolarHBondContact N-O 3.1Å; E85-V96 PolarHBondContact O-N 3.34Å; L87-V96 HydrophobicContact CD1-CG2 4.27Å
97M90.2Very high81.4Confident17 Ų1737.6 Ų37.68%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-130.9158.2-170.2-59.4175.5-61.200110.9V48 A49 K51 V81 R82 L83 L95 L99V48-M97 WeakPolarHBondContact CB-O 3.18Å; A49-M97 PolarHBondContact N-O 2.9Å; A49-M97 PolarHBondContact O-N 2.93Å; K51-M97 HydrophobicContact CB-CE 3.7Å; V81-M97 HydrophobicContact CG1-SD 4.34Å; V81-M97 HydrophobicContact CG2-CB 4.04Å; R82-M97 VanDerWaalsContact O-CA 3.27Å; R82-M97 WeakPolarHBondContact O-CA 3.41Å; L83-M97 HydrophobicContact CD1-CG 4.01Å; L95-M97 HydrophobicContact CB-SD 4.48Å; M97-L99 PolarHBondContact O-N 3.5Å
98D85.8Confident80.4Confident53 Ų5339.3 Ų39.328%0.28321%0.211SC..EExtended strand (participates in β ladder)trans-54.7132.9170.7-75.9-21000109.9Y46 V81 R82 I84 V100Y46-D98 PolarHBondContact OH-OD1 3.04Å; V81-D98 HydrophobicContact CG2-CB 4.33Å; V81-D98 WeakPolarHBondContact CG2-O 3.45Å; R82-D98 WeakPolarHBondContact CB-OD2 3.38Å; R82-D98 PolarHBondContact O-N 3.44Å; R82-D98 VanDerWaalsContact O-N 3.15Å; I84-D98 WeakPolarHBondContact CD1-OD1 3.12Å; D98-V100 PolarHBondContact O-N 3.4Å
99L85.1Confident79.4Confident37 Ų3737.6 Ų37.619%0.19420%0.203CC..  trans-72.2128.1175.918067.7000109.6L27 L37 L47 A49 M97 T101L27-L99 HydrophobicContact CD1-CD1 3.55Å; L37-L99 HydrophobicContact CD1-CD1 3.81Å; L37-L99 HydrophobicContact CD1-CD2 3.48Å; L37-L99 VanDerWaalsContact CD1-CD2 3.48Å; L37-L99 HydrophobicContact CD1-CG 4.26Å; L47-L99 HydrophobicContact CB-CD2 3.7Å; L47-L99 HydrophobicContact CD1-CD2 4.21Å; A49-L99 HydrophobicContact CB-CD1 4.05Å; M97-L99 PolarHBondContact O-N 3.5Å; L99-T101 HydrophobicContact CD1-CG2 4.43Å; L99-T101 HydrophobicContact CD2-CG2 3.64Å; L99-T101 HydrophobicContact CG-CG2 3.69Å
100V75.3Confident78.6Confident21 Ų2137.3 Ų37.313%0.12720%0.202CC..  trans-113123.5175-173.60000108.8V81 D98 L131 Y132 I142 T144V81-V100 HydrophobicContact CG2-CG2 4.17Å; D98-V100 PolarHBondContact O-N 3.4Å; V100-L131 HydrophobicContact CB-CB 4.21Å; V100-L131 HydrophobicContact CB-CD1 4.07Å; V100-L131 HydrophobicContact CG1-CB 3.34Å; V100-L131 HydrophobicContact CG1-CD1 4.07Å; V100-L131 HydrophobicContact CG1-CG 4.35Å; V100-Y132 WeakPolarHBondContact CG1-O 3.45Å; V100-I142 HydrophobicContact CG1-CD1 4.41Å; V100-I142 HydrophobicContact CG2-CB 4.36Å; V100-I142 HydrophobicContact CG2-CD1 3.9Å; V100-I142 HydrophobicContact CG2-CG2 4.11Å; V100-T144 HydrophobicContact CB-CG2 4.48Å; V100-T144 HydrophobicContact CG2-CG2 4.08Å
101T75.7Confident78Confident76 Ų7633 Ų3347%0.46620%0.199SC..  trans-119.9-7-167.3560000114.1L99 G103 Q133L99-T101 HydrophobicContact CD1-CG2 4.43Å; L99-T101 HydrophobicContact CD2-CG2 3.64Å; L99-T101 HydrophobicContact CG-CG2 3.69Å; T101-G103 PolarHBondContact O-N 3.4Å; T101-Q133 PolarHBondContact N-O 3.05Å; T101-Q133 PolarHBondContact OG1-O 3.09Å
102G68.7Low77.5Confident8 Ų834.6 Ų34.68%0.08220%0.197CC..SBendtrans-790.9-173.400000115.4R108 Y132G102-R108 PolarHBondContact O-NE 2.82Å; G102-R108 PolarHBondContact O-NH2 2.74Å; G102-Y132 WeakPolarHBondContact CA-O 3.49Å; G102-Y132 PolarHBondContact N-O 3.38Å
103G66.1Low77.1Confident35 Ų3535 Ų3536%0.36121%0.209SC..  trans80.5175.9176.900000114.5T101 L131 Y132T101-G103 PolarHBondContact O-N 3.4Å; G103-L131 VanDerWaalsContact O-CA 3.31Å; G103-L131 WeakPolarHBondContact O-CA 3.26Å; G103-Y132 PolarHBondContact O-N 2.92Å; G103-Y132 VanDerWaalsContact O-N 3.09Å
104E66.3Low76.9Confident53 Ų5336.4 Ų36.425%0.24822%0.223CC..BIsolated β-bridgetrans-70.9145.1179.6-58.3-167-171.100111.4F106 D107 R108 L131 K287E104-F106 VanDerWaalsContact C-N 3.33Å; E104-F106 PolarHBondContact O-N 2.8Å; E104-D107 PolarHBondContact O-N 3.14Å; E104-R108 PolarHBondContact O-N 3.39Å; E104-R108 VanDerWaalsContact O-N 3.11Å; E104-L131 HydrophobicContact CB-CD2 4.37Å; E104-L131 HydrophobicContact CG-CD2 3.88Å; E104-K287 IonicContact OE1-NZ 3.22Å; E104-K287 PolarHBondContact OE1-NZ 3.19Å; E104-K287 IonicContact OE2-NZ 2.79Å; E104-K287 PolarHBondContact OE2-NZ 2.94Å
105L67.8Low76.7Confident9 Ų935.7 Ų35.75%0.04722%0.221CC..Hα-helixtrans-52.1-46.7-177.2176.759.4000113.7R108 I109 L123 L130 Y132 I141 L193L105-R108 VanDerWaalsContact O-CB 3.28Å; L105-R108 WeakPolarHBondContact O-CB 3.35Å; L105-R108 PolarHBondContact O-N 3.3Å; L105-I109 HydrophobicContact CD1-CD1 4.05Å; L105-I109 HydrophobicContact CD1-CG1 4.38Å; L105-I109 HydrophobicContact CG-CD1 4.06Å; L105-I109 WeakPolarHBondContact O-CG1 3.28Å; L105-I109 PolarHBondContact O-N 3Å; L105-L123 HydrophobicContact CD1-CD1 3.99Å; L105-L123 HydrophobicContact CD1-CD2 4.05Å; L105-L130 HydrophobicContact CB-CB 3.91Å; L105-L130 WeakPolarHBondContact CB-O 3.33Å; L105-L130 HydrophobicContact CD2-CB 3.89Å; L105-L130 HydrophobicContact CD2-CD1 3.47Å; L105-L130 VanDerWaalsContact CD2-CD1 3.47Å; L105-L130 HydrophobicContact CD2-CG 4.28Å; L105-L130 HydrophobicContact CG-CB 4.48Å; L105-L130 PolarHBondContact N-O 3.42Å; L105-Y132 HydrophobicContact CD1-CE2 3.55Å; L105-I141 HydrophobicContact CD1-CD1 4.43Å; L105-L193 HydrophobicContact CD2-CD2 3.91Å; L105-L193 HydrophobicContact CG-CD2 4.28Å
106F67.9Low76.7Confident20 Ų2036.2 Ų36.29%0.08822%0.224CC..Hα-helixtrans-71.5-37.5-176.4-61.9-57.3000112.5E104 R108 I109 V110 I192 L193 L276 T280E104-F106 VanDerWaalsContact C-N 3.33Å; E104-F106 PolarHBondContact O-N 2.8Å; F106-R108 PolarHBondContact O-N 3.2Å; F106-I109 HydrophobicContact CD1-CD1 4.41Å; F106-I109 PolarHBondContact O-N 3.4Å; F106-V110 WeakPolarHBondContact O-CB 3.4Å; F106-V110 VanDerWaalsContact O-CG2 3.3Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 2.81Å; F106-I192 HydrophobicContact CE1-CB 4.49Å; F106-I192 HydrophobicContact CE1-CG2 3.56Å; F106-I192 HydrophobicContact CZ-CB 4.45Å; F106-I192 HydrophobicContact CZ-CG2 3.65Å; F106-L193 HydrophobicContact CD1-CD2 4.34Å; F106-L193 HydrophobicContact CE1-CD2 3.83Å; F106-L276 HydrophobicContact CD1-CD2 3.55Å; F106-L276 HydrophobicContact CE1-CD2 4.02Å; F106-L276 HydrophobicContact CG-CD2 4.3Å; F106-T280 HydrophobicContact CB-CG2 3.34Å; F106-T280 HydrophobicContact CG-CG2 4.42Å
107D67.3Low76.7Confident60 Ų6036.2 Ų36.232%0.32122%0.224SC..Hα-helixtrans-60.9-37.5175.1-66.2-22.7000110.9E104 V110 A111 T280E104-D107 PolarHBondContact O-N 3.14Å; D107-V110 WeakPolarHBondContact O-CB 3.42Å; D107-V110 PolarHBondContact O-N 2.73Å; D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 3.37Å; D107-T280 WeakPolarHBondContact OD1-CB 3.4Å; D107-T280 WeakPolarHBondContact OD1-CG2 3.25Å
108R70.5Confident76.6Confident38 Ų3840.4 Ų40.414%0.14324%0.243CC..Hα-helixtrans-66.2-45.4175.1-93.3-102.2-163.715810.5114.5G102 E104 L105 F106 V110 A111 K112 Y132 T134 P135 D136G102-R108 PolarHBondContact O-NE 2.82Å; G102-R108 PolarHBondContact O-NH2 2.74Å; E104-R108 PolarHBondContact O-N 3.39Å; E104-R108 VanDerWaalsContact O-N 3.11Å; L105-R108 VanDerWaalsContact O-CB 3.28Å; L105-R108 WeakPolarHBondContact O-CB 3.35Å; L105-R108 PolarHBondContact O-N 3.3Å; F106-R108 PolarHBondContact O-N 3.2Å; R108-V110 PolarHBondContact O-N 3.38Å; R108-A111 PolarHBondContact O-N 2.74Å; R108-A111 VanDerWaalsContact O-N 3.1Å; R108-K112 PolarHBondContact O-N 3.41Å; R108-Y132 HydrophobicContact CB-CD2 3.77Å; R108-Y132 HydrophobicContact CB-CE2 3.36Å; R108-Y132 HydrophobicContact CG-CD2 3.39Å; R108-Y132 HydrophobicContact CG-CE2 3.54Å; R108-Y132 HydrophobicContact CG-CG 4.19Å; R108-Y132 VanDerWaalsContact CZ-CB 3.44Å; R108-Y132 VanDerWaalsContact CZ-CG 3.44Å; R108-T134 PolarHBondContact NH2-O 3.14Å; R108-P135 PolarHBondContact NH1-O 3.05Å; R108-P135 VanDerWaalsContact NH2-CA 3.25Å; R108-D136 PolarHBondContact NH1-O 2.93Å
109I70.4Confident76.6Confident2 Ų239.9 Ų39.91%0.0124%0.241CC..Hα-helixtrans-59.9-43.6176.1-67.3166.8000108.8L105 F106 A111 K112 Y115 L123 L193 Y269 I272 L276L105-I109 HydrophobicContact CD1-CD1 4.05Å; L105-I109 HydrophobicContact CD1-CG1 4.38Å; L105-I109 HydrophobicContact CG-CD1 4.06Å; L105-I109 WeakPolarHBondContact O-CG1 3.28Å; L105-I109 PolarHBondContact O-N 3Å; F106-I109 HydrophobicContact CD1-CD1 4.41Å; F106-I109 PolarHBondContact O-N 3.4Å; I109-A111 VanDerWaalsContact C-N 3.32Å; I109-A111 PolarHBondContact O-N 3.04Å; I109-K112 PolarHBondContact O-N 3.43Å; I109-Y115 HydrophobicContact CB-CD2 4.45Å; I109-Y115 HydrophobicContact CB-CE2 4.43Å; I109-Y115 HydrophobicContact CD1-CE2 3.9Å; I109-Y115 HydrophobicContact CG1-CD2 4.11Å; I109-Y115 HydrophobicContact CG1-CE2 3.66Å; I109-Y115 HydrophobicContact CG2-CD1 4.25Å; I109-Y115 HydrophobicContact CG2-CD2 3.75Å; I109-Y115 HydrophobicContact CG2-CE1 4.45Å; I109-Y115 HydrophobicContact CG2-CE2 3.99Å; I109-Y115 HydrophobicContact CG2-CG 3.86Å; I109-L123 HydrophobicContact CD1-CD1 4.3Å; I109-L193 HydrophobicContact CD1-CD2 3.33Å; I109-Y269 VanDerWaalsContact O-CE2 3.27Å; I109-Y269 WeakPolarHBondContact O-CE2 3.17Å; I109-I272 HydrophobicContact CG2-CD1 4.13Å; I109-L276 HydrophobicContact CB-CD1 4.03Å; I109-L276 HydrophobicContact CD1-CD1 4.5Å; I109-L276 HydrophobicContact CG2-CD1 3.45Å; I109-L276 VanDerWaalsContact CG2-CD1 3.45Å
110V72.3Confident76.6Confident24 Ų2438.1 Ų38.115%0.14523%0.231CC..Hα-helixtrans-62-35.3174.7169.30000112.6F106 D107 R108 Y269 L276 K277F106-V110 WeakPolarHBondContact O-CB 3.4Å; F106-V110 VanDerWaalsContact O-CG2 3.3Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 2.81Å; D107-V110 WeakPolarHBondContact O-CB 3.42Å; D107-V110 PolarHBondContact O-N 2.73Å; R108-V110 PolarHBondContact O-N 3.38Å; V110-Y269 PolarHBondContact O-OH 3.42Å; V110-L276 HydrophobicContact CG2-CB 3.71Å; V110-K277 HydrophobicContact CB-CG 4.41Å; V110-K277 HydrophobicContact CG1-CD 4.07Å; V110-K277 HydrophobicContact CG1-CG 3.56Å; V110-K277 HydrophobicContact CG2-CG 3.89Å
111A73.7Confident77Confident86 Ų8637.5 Ų37.571%0.71123%0.228SC*.Hα-helixtrans-78.4-22.9179.900000114D107 R108 I109 G113D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 3.37Å; R108-A111 PolarHBondContact O-N 2.74Å; R108-A111 VanDerWaalsContact O-N 3.1Å; I109-A111 VanDerWaalsContact C-N 3.32Å; I109-A111 PolarHBondContact O-N 3.04Å; A111-G113 VanDerWaalsContact C-N 3.32Å; A111-G113 PolarHBondContact O-N 3.19Å
112K77Confident77.3Confident107 Ų10737.2 Ų37.247%0.46523%0.229SC..Hα-helixtrans-67.3-28.6-172.3-165.9177173.7-166.60113.5R108 I109 S114 D119R108-K112 PolarHBondContact O-N 3.41Å; I109-K112 PolarHBondContact O-N 3.43Å; K112-S114 VanDerWaalsContact CD-O 3.25Å; K112-S114 WeakPolarHBondContact CD-O 3.34Å; K112-S114 WeakPolarHBondContact CG-O 3.15Å; K112-S114 PolarHBondContact O-N 3.37Å; K112-D119 IonicContact NZ-OD1 3.56Å; K112-D119 PolarHBondContact NZ-OD1 2.95Å; K112-D119 IonicContact NZ-OD2 3.61Å; K112-D119 PolarHBondContact NZ-OD2 2.97Å; K112-D119 VanDerWaalsContact NZ-OD2 3.07Å
113G79.7Confident77.8Confident42 Ų4237.8 Ų37.843%0.43323%0.23SC..SBendtrans77.1-1218000000115.6A111 Y269A111-G113 VanDerWaalsContact C-N 3.32Å; A111-G113 PolarHBondContact O-N 3.19Å; G113-Y269 VanDerWaalsContact O-CD1 3.24Å; G113-Y269 WeakPolarHBondContact O-CD1 3.29Å
114S84.1Confident78.1Confident58 Ų5836.6 Ų36.641%0.40622%0.216SC..  trans-150.2144.117463.10000109.7K112K112-S114 VanDerWaalsContact CD-O 3.25Å; K112-S114 WeakPolarHBondContact CD-O 3.34Å; K112-S114 WeakPolarHBondContact CG-O 3.15Å; K112-S114 PolarHBondContact O-N 3.37Å
115Y86.8Confident78.3Confident3 Ų341.9 Ų41.91%0.01223%0.233CC..  trans-161.5134.7-175.4-169.4-98.6000110.8I109 D119 A120 L123 L193 D267 I268 Y269 I272I109-Y115 HydrophobicContact CB-CD2 4.45Å; I109-Y115 HydrophobicContact CB-CE2 4.43Å; I109-Y115 HydrophobicContact CD1-CE2 3.9Å; I109-Y115 HydrophobicContact CG1-CD2 4.11Å; I109-Y115 HydrophobicContact CG1-CE2 3.66Å; I109-Y115 HydrophobicContact CG2-CD1 4.25Å; I109-Y115 HydrophobicContact CG2-CD2 3.75Å; I109-Y115 HydrophobicContact CG2-CE1 4.45Å; I109-Y115 HydrophobicContact CG2-CE2 3.99Å; I109-Y115 HydrophobicContact CG2-CG 3.86Å; Y115-D119 WeakPolarHBondContact CA-OD2 3.43Å; Y115-D119 HydrophobicContact CD2-CB 3.7Å; Y115-D119 HydrophobicContact CE2-CB 3.56Å; Y115-D119 HydrophobicContact CG-CB 4.33Å; Y115-A120 HydrophobicContact CE1-CB 4Å; Y115-A120 VanDerWaalsContact OH-CA 3.29Å; Y115-A120 WeakPolarHBondContact OH-CA 3.44Å; Y115-A120 WeakPolarHBondContact OH-CB 3.29Å; Y115-L123 HydrophobicContact CE2-CD1 3.68Å; Y115-L123 WeakPolarHBondContact OH-CD1 3.38Å; Y115-L193 WeakPolarHBondContact CE1-O 3.25Å; Y115-D267 PolarHBondContact N-OD1 2.95Å; Y115-I268 HydrophobicContact CD1-CD1 4.15Å; Y115-I268 HydrophobicContact CD1-CG1 4.1Å; Y115-I268 HydrophobicContact CE1-CD1 4.46Å; Y115-I268 WeakPolarHBondContact O-CG1 2.83Å; Y115-I268 PolarHBondContact O-N 2.81Å; Y115-Y269 PolarHBondContact O-N 2.88Å; Y115-I272 HydrophobicContact CD1-CD1 3.3Å; Y115-I272 HydrophobicContact CE1-CD1 3.79Å; Y115-I272 HydrophobicContact CG-CD1 4.05Å
116S89.7Confident78Confident11 Ų1143.9 Ų43.98%0.07724%0.242CC..BIsolated β-bridgetrans-125.4171.4-175.960.90000112.5Q118 D119 A120 K266S116-Q118 PolarHBondContact O-N 3Å; S116-D119 PolarHBondContact N-OD2 2.98Å; S116-D119 WeakPolarHBondContact O-CB 3.15Å; S116-D119 PolarHBondContact O-N 3.11Å; S116-D119 PolarHBondContact OG-N 3.2Å; S116-D119 PolarHBondContact OG-OD2 3.08Å; S116-D119 VanDerWaalsContact OG-OD2 3.09Å; S116-A120 PolarHBondContact O-N 2.99Å; S116-A120 VanDerWaalsContact O-N 3.14Å; S116-K266 WeakPolarHBondContact CA-O 3.33Å; S116-K266 WeakPolarHBondContact CB-O 3.25Å
117E90.4Very high77Confident1 Ų145 Ų451%0.00525%0.252CS..Hα-helixtrans-61.8-34.1169.8-61.4-177.5-159.800111.9D119 A120 S121 L194 I227 S228 W257 A263 L264E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 2.72Å; E117-A120 PolarHBondContact O-N 3.46Å; E117-A120 VanDerWaalsContact O-N 3.15Å; E117-S121 VanDerWaalsContact O-CB 3.31Å; E117-S121 WeakPolarHBondContact O-CB 3.4Å; E117-S121 PolarHBondContact O-N 2.89Å; E117-L194 HydrophobicContact CB-CD2 4.2Å; E117-L194 HydrophobicContact CG-CD2 3.89Å; E117-I227 HydrophobicContact CG-CD1 4.39Å; E117-I227 WeakPolarHBondContact OE1-CA 3.18Å; E117-S228 PolarHBondContact OE1-N 2.81Å; E117-S228 WeakPolarHBondContact OE2-CB 3.36Å; E117-S228 PolarHBondContact OE2-OG 3.37Å; E117-W257 HydrophobicContact CB-CZ2 4.32Å; E117-W257 PolarHBondContact OE2-NE1 3.46Å; E117-W257 VanDerWaalsContact OE2-NE1 3.15Å; E117-A263 HydrophobicContact CB-CB 4.14Å; E117-L264 HydrophobicContact CB-CB 4.48Å; E117-L264 WeakPolarHBondContact CB-O 3.37Å; E117-L264 HydrophobicContact CG-CB 4.25Å; E117-L264 PolarHBondContact N-O 3.47Å; E117-L264 WeakPolarHBondContact OE1-CD1 3.23Å; E117-L264 PolarHBondContact OE2-N 3.32Å
118Q87.5Confident75.8Confident104 Ų10445 Ų4549%0.48625%0.25SC..Hα-helixtrans-62.1-37.1176.4-170.3178.633.200111.8S116 S122 A263 L264S116-Q118 PolarHBondContact O-N 3Å; Q118-S122 WeakPolarHBondContact O-CB 3.41Å; Q118-S122 PolarHBondContact O-N 2.89Å; Q118-S122 PolarHBondContact O-OG 2.86Å; Q118-A263 HydrophobicContact CB-CB 4.46Å; Q118-L264 PolarHBondContact N-O 2.82Å; Q118-L264 VanDerWaalsContact N-O 3.12Å
119D86.3Confident75Confident42 Ų4247 Ų4723%0.22526%0.263CS..Hα-helixtrans-63.3-49171.6-66.6-53.9000110.5K112 Y115 S116 E117 S121 S122 L123K112-D119 IonicContact NZ-OD1 3.56Å; K112-D119 PolarHBondContact NZ-OD1 2.95Å; K112-D119 IonicContact NZ-OD2 3.61Å; K112-D119 PolarHBondContact NZ-OD2 2.97Å; K112-D119 VanDerWaalsContact NZ-OD2 3.07Å; Y115-D119 WeakPolarHBondContact CA-OD2 3.43Å; Y115-D119 HydrophobicContact CD2-CB 3.7Å; Y115-D119 HydrophobicContact CE2-CB 3.56Å; Y115-D119 HydrophobicContact CG-CB 4.33Å; S116-D119 PolarHBondContact N-OD2 2.98Å; S116-D119 WeakPolarHBondContact O-CB 3.15Å; S116-D119 PolarHBondContact O-N 3.11Å; S116-D119 PolarHBondContact OG-N 3.2Å; S116-D119 PolarHBondContact OG-OD2 3.08Å; S116-D119 VanDerWaalsContact OG-OD2 3.09Å; E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 2.72Å; D119-S121 PolarHBondContact O-N 3.02Å; D119-S122 WeakPolarHBondContact O-CB 3.42Å; D119-S122 PolarHBondContact O-N 3.18Å; D119-L123 VanDerWaalsContact O-CG 3.25Å; D119-L123 WeakPolarHBondContact O-CG 3.22Å; D119-L123 PolarHBondContact O-N 2.83Å
120A84.3Confident74.4Confident0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-60.3-44.617900000112.8Y115 S116 E117 S122 L123 I124 L193 L194 W257Y115-A120 HydrophobicContact CE1-CB 4Å; Y115-A120 VanDerWaalsContact OH-CA 3.29Å; Y115-A120 WeakPolarHBondContact OH-CA 3.44Å; Y115-A120 WeakPolarHBondContact OH-CB 3.29Å; S116-A120 PolarHBondContact O-N 2.99Å; S116-A120 VanDerWaalsContact O-N 3.14Å; E117-A120 PolarHBondContact O-N 3.46Å; E117-A120 VanDerWaalsContact O-N 3.15Å; A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.07Å; A120-L123 PolarHBondContact O-N 3.27Å; A120-L123 VanDerWaalsContact O-N 3.15Å; A120-I124 WeakPolarHBondContact O-CG1 3.44Å; A120-I124 PolarHBondContact O-N 3.49Å; A120-L193 HydrophobicContact CB-CB 4.24Å; A120-L194 HydrophobicContact CB-CD2 3.66Å; A120-L194 HydrophobicContact CB-CG 4.28Å; A120-W257 HydrophobicContact CB-CH2 4.09Å; A120-W257 HydrophobicContact CB-CZ2 4.21Å
121S85.1Confident73.6Confident9 Ų948.8 Ų48.86%0.06327%0.272CS..Hα-helixtrans-58.7-42.6176.2173.90000111.3E117 D119 L123 I124 W257E117-S121 VanDerWaalsContact O-CB 3.31Å; E117-S121 WeakPolarHBondContact O-CB 3.4Å; E117-S121 PolarHBondContact O-N 2.89Å; D119-S121 PolarHBondContact O-N 3.02Å; S121-L123 PolarHBondContact O-N 2.97Å; S121-I124 PolarHBondContact O-N 3.42Å; S121-W257 VanDerWaalsContact CA-CH2 3.42Å; S121-W257 PolarHBondContact OG-O 3.39Å
122S82.1Confident72.8Confident69 Ų6945.7 Ų45.748%0.48324%0.242SC..Hα-helixtrans-65.1-38.7175.7-59.10000112.5Q118 D119 A120Q118-S122 WeakPolarHBondContact O-CB 3.41Å; Q118-S122 PolarHBondContact O-N 2.89Å; Q118-S122 PolarHBondContact O-OG 2.86Å; D119-S122 WeakPolarHBondContact O-CB 3.42Å; D119-S122 PolarHBondContact O-N 3.18Å; A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.07Å
123L78.1Confident72.1Confident20 Ų2044.1 Ų44.111%0.10524%0.236CC..Hα-helixtrans-69.9-39.8178.4-65.5166.8000112.1L105 I109 Y115 D119 A120 S121 R125 Q126 Y132 I141 L193L105-L123 HydrophobicContact CD1-CD1 3.99Å; L105-L123 HydrophobicContact CD1-CD2 4.05Å; I109-L123 HydrophobicContact CD1-CD1 4.3Å; Y115-L123 HydrophobicContact CE2-CD1 3.68Å; Y115-L123 WeakPolarHBondContact OH-CD1 3.38Å; D119-L123 VanDerWaalsContact O-CG 3.25Å; D119-L123 WeakPolarHBondContact O-CG 3.22Å; D119-L123 PolarHBondContact O-N 2.83Å; A120-L123 PolarHBondContact O-N 3.27Å; A120-L123 VanDerWaalsContact O-N 3.15Å; S121-L123 PolarHBondContact O-N 2.97Å; L123-R125 PolarHBondContact O-N 3.15Å; L123-Q126 PolarHBondContact O-N 3.22Å; L123-Y132 HydrophobicContact CD2-CE1 4.4Å; L123-Y132 VanDerWaalsContact CD2-OH 3.24Å; L123-Y132 WeakPolarHBondContact CD2-OH 3.22Å; L123-I141 HydrophobicContact CB-CD1 3.78Å; L123-I141 HydrophobicContact CD2-CD1 3.27Å; L123-I141 HydrophobicContact CD2-CG1 3.83Å; L123-I141 HydrophobicContact CG-CD1 4.09Å; L123-L193 HydrophobicContact CB-CD1 4.3Å
124I73.8Confident71.6Confident11 Ų1144.3 Ų44.36%0.05623%0.229CC..Hα-helixtrans-63.5-23-179-76.4-64.4000113.5A120 S121 Q126 I186 I189 A190 L193 F234 W257 I258A120-I124 WeakPolarHBondContact O-CG1 3.44Å; A120-I124 PolarHBondContact O-N 3.49Å; S121-I124 PolarHBondContact O-N 3.42Å; I124-Q126 PolarHBondContact O-N 3.45Å; I124-I186 HydrophobicContact CD1-CG2 4.2Å; I124-I186 HydrophobicContact CG2-CG2 3.77Å; I124-I189 HydrophobicContact CD1-CB 4.1Å; I124-I189 HydrophobicContact CD1-CG2 3.89Å; I124-A190 HydrophobicContact CD1-CB 3.64Å; I124-A190 HydrophobicContact CG1-CB 3.93Å; I124-L193 HydrophobicContact CD1-CD1 3.83Å; I124-L193 HydrophobicContact CG1-CD1 3.99Å; I124-F234 HydrophobicContact CG2-CE1 3.84Å; I124-F234 HydrophobicContact CG2-CZ 3.83Å; I124-W257 HydrophobicContact CB-CZ3 4.44Å; I124-W257 HydrophobicContact CG1-CZ3 4.39Å; I124-I258 HydrophobicContact CB-CD1 4.48Å; I124-I258 HydrophobicContact CG2-CD1 4.08Å
125R68.8Low70.8Confident163 Ų16345.9 Ų45.962%0.61524%0.238SC*.THydrogen-bonded Turntrans-62.1-7.3171.5-65.7176.767.1-176.31.3113.2L123 L253 I258L123-R125 PolarHBondContact O-N 3.15Å; R125-L253 HydrophobicContact CG-CD2 4.38Å; R125-I258 HydrophobicContact CG-CG2 3.96Å
126Q62.9Low70Confident51 Ų5149.8 Ų49.824%0.23826%0.259CS..SBendtrans-137.293.7-176.2-57.2179.7-600110N79 L123 I124 L130 I141N79-Q126 PolarHBondContact ND2-NE2 3.42Å; N79-Q126 VanDerWaalsContact ND2-NE2 3.19Å; N79-Q126 PolarHBondContact ND2-OE1 2.76Å; N79-Q126 VanDerWaalsContact ND2-OE1 3.07Å; L123-Q126 PolarHBondContact O-N 3.22Å; I124-Q126 PolarHBondContact O-N 3.45Å; Q126-L130 WeakPolarHBondContact O-CD2 3.34Å; Q126-I141 HydrophobicContact CB-CB 4.09Å; Q126-I141 HydrophobicContact CB-CD1 4.19Å
127P46.4Very low68.8Low45 Ų4555.2 Ų55.229%0.29229%0.294SS..  trans-100.6142.9-161.435.8-35.1000117.8L130 I143 I186P127-L130 VanDerWaalsContact C-CD2 3.44Å; P127-I143 WeakPolarHBondContact O-CD1 3.39Å; P127-I143 WeakPolarHBondContact O-CG1 3.3Å; P127-I186 HydrophobicContact CB-CD1 3.84Å; P127-I186 HydrophobicContact CB-CG1 3.58Å; P127-I186 HydrophobicContact CG-CD1 4.02Å; P127-I186 HydrophobicContact CG-CG1 4.31Å
128E41.7Very low67.7Low59 Ų5962 Ų6228%0.27633%0.33SS..SBendtrans52.4146.9174.2-63.8-154.6145.600126.2L130 I143 Y166 I189E128-L130 VanDerWaalsContact C-CD2 3.49Å; E128-L130 VanDerWaalsContact N-CD2 3.27Å; E128-L130 WeakPolarHBondContact O-CD2 3.41Å; E128-I143 VanDerWaalsContact O-CA 3.31Å; E128-I143 WeakPolarHBondContact O-CA 3.33Å; E128-I143 VanDerWaalsContact O-CB 3.29Å; E128-I143 WeakPolarHBondContact O-CB 3.48Å; E128-I143 WeakPolarHBondContact O-CG1 3.5Å; E128-I143 WeakPolarHBondContact O-CG2 3.35Å; E128-Y166 WeakPolarHBondContact OE1-CD1 3.5Å; E128-I189 HydrophobicContact CB-CD1 4.33Å; E128-I189 HydrophobicContact CG-CD1 3.02Å; E128-I189 HydrophobicContact CG-CG1 3.78Å; E128-I189 WeakPolarHBondContact OE1-CD1 3.08Å; E128-I189 VanDerWaalsContact OE1-CG1 3.23Å; E128-I189 WeakPolarHBondContact OE1-CG1 3.42Å
129N53.1Low66.8Low80 Ų8057.7 Ų57.743%0.42831%0.312SS..SBendtrans52.353.8-166.9-69.9-41.3000114L131 I143 T144 D145N129-L131 PolarHBondContact O-N 2.89Å; N129-I143 CarbonylContact O-C 3.57Å; N129-I143 WeakPolarHBondContact O-CA 3.49Å; N129-T144 PolarHBondContact O-N 3.45Å; N129-T144 PolarHBondContact O-OG1 3.47Å; N129-D145 HydrophobicContact CB-CB 3.98Å; N129-D145 WeakPolarHBondContact ND2-CB 3.42Å; N129-D145 PolarHBondContact ND2-O 2.88Å
130L59.3Low65.7Low20 Ų2061.3 Ų61.311%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-88.499.8-161.1-59.9-180000112L105 Q126 P127 E128 I141 I142 I143L105-L130 HydrophobicContact CB-CB 3.91Å; L105-L130 WeakPolarHBondContact CB-O 3.33Å; L105-L130 HydrophobicContact CD2-CB 3.89Å; L105-L130 HydrophobicContact CD2-CD1 3.47Å; L105-L130 VanDerWaalsContact CD2-CD1 3.47Å; L105-L130 HydrophobicContact CD2-CG 4.28Å; L105-L130 HydrophobicContact CG-CB 4.48Å; L105-L130 PolarHBondContact N-O 3.42Å; Q126-L130 WeakPolarHBondContact O-CD2 3.34Å; P127-L130 VanDerWaalsContact C-CD2 3.44Å; E128-L130 VanDerWaalsContact C-CD2 3.49Å; E128-L130 VanDerWaalsContact N-CD2 3.27Å; E128-L130 WeakPolarHBondContact O-CD2 3.41Å; L130-I141 HydrophobicContact CB-CG2 3.35Å; L130-I141 HydrophobicContact CD1-CD1 4.32Å; L130-I141 HydrophobicContact CD1-CG2 4.06Å; L130-I141 HydrophobicContact CD2-CB 4.32Å; L130-I141 HydrophobicContact CD2-CG2 3.02Å; L130-I141 HydrophobicContact CG-CG2 3.55Å; L130-I142 WeakPolarHBondContact CA-O 3.5Å; L130-I143 HydrophobicContact CD2-CG1 4.11Å
131L55.3Low64.7Low43 Ų4361.4 Ų61.423%0.22532%0.322CS..EExtended strand (participates in β ladder)trans-100.5140.1162.6-59.2-171.3000109V100 G103 E104 N129 I142 T144V100-L131 HydrophobicContact CB-CB 4.21Å; V100-L131 HydrophobicContact CB-CD1 4.07Å; V100-L131 HydrophobicContact CG1-CB 3.34Å; V100-L131 HydrophobicContact CG1-CD1 4.07Å; V100-L131 HydrophobicContact CG1-CG 4.35Å; G103-L131 VanDerWaalsContact O-CA 3.31Å; G103-L131 WeakPolarHBondContact O-CA 3.26Å; E104-L131 HydrophobicContact CB-CD2 4.37Å; E104-L131 HydrophobicContact CG-CD2 3.88Å; N129-L131 PolarHBondContact O-N 2.89Å; L131-I142 PolarHBondContact N-O 3.31Å; L131-I142 PolarHBondContact O-N 3.24Å; L131-T144 HydrophobicContact CB-CG2 3.94Å; L131-T144 HydrophobicContact CD1-CG2 3.69Å; L131-T144 HydrophobicContact CG-CG2 3.75Å
132Y57.2Low63.4Low22 Ų2261.4 Ų61.49%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-71.6137.4167.7-77.8-95.9000109.9V100 G102 G103 L105 R108 L123 T134 S139 R140 I141V100-Y132 WeakPolarHBondContact CG1-O 3.45Å; G102-Y132 WeakPolarHBondContact CA-O 3.49Å; G102-Y132 PolarHBondContact N-O 3.38Å; G103-Y132 PolarHBondContact O-N 2.92Å; G103-Y132 VanDerWaalsContact O-N 3.09Å; L105-Y132 HydrophobicContact CD1-CE2 3.55Å; R108-Y132 HydrophobicContact CB-CD2 3.77Å; R108-Y132 HydrophobicContact CB-CE2 3.36Å; R108-Y132 HydrophobicContact CG-CD2 3.39Å; R108-Y132 HydrophobicContact CG-CE2 3.54Å; R108-Y132 HydrophobicContact CG-CG 4.19Å; R108-Y132 VanDerWaalsContact CZ-CB 3.44Å; R108-Y132 VanDerWaalsContact CZ-CG 3.44Å; L123-Y132 HydrophobicContact CD2-CE1 4.4Å; L123-Y132 VanDerWaalsContact CD2-OH 3.24Å; L123-Y132 WeakPolarHBondContact CD2-OH 3.22Å; Y132-T134 PolarHBondContact O-N 2.9Å; Y132-S139 WeakPolarHBondContact CD1-O 3.26Å; Y132-S139 WeakPolarHBondContact CE1-O 3.47Å; Y132-R140 WeakPolarHBondContact CA-O 3.41Å; Y132-I141 HydrophobicContact CE1-CG1 4.46Å
133Q61.6Low62.6Low74 Ų7459.3 Ų59.335%0.34631%0.305SS..SBendtrans-52.5-57.2179.6-171.51719.800113.5T101 S139 R140 I142T101-Q133 PolarHBondContact N-O 3.05Å; T101-Q133 PolarHBondContact OG1-O 3.09Å; Q133-S139 PolarHBondContact N-OG 3.23Å; Q133-R140 HydrophobicContact CB-CG 4.08Å; Q133-R140 PolarHBondContact N-O 2.88Å; Q133-R140 VanDerWaalsContact OE1-CD 3.26Å; Q133-I142 HydrophobicContact CB-CD1 3.53Å; Q133-I142 HydrophobicContact CB-CG1 4.05Å; Q133-I142 HydrophobicContact CG-CD1 3.53Å
134T68.8Low61.8Low45 Ų4560.2 Ų60.228%0.27631%0.311SS..SBendtrans-129.3157.7-175.865.30000109.2R108 Y132 D136 S139R108-T134 PolarHBondContact NH2-O 3.14Å; Y132-T134 PolarHBondContact O-N 2.9Å; T134-D136 WeakPolarHBondContact CB-OD2 3.12Å; T134-D136 PolarHBondContact O-N 2.67Å; T134-D136 PolarHBondContact OG1-OD2 3.38Å; T134-S139 PolarHBondContact N-OG 3.28Å; T134-S139 WeakPolarHBondContact O-CB 3.47Å; T134-S139 PolarHBondContact O-OG 3.13Å; T134-S139 VanDerWaalsContact O-OG 3.05Å
135P67.4Low61.1Low92 Ų9263 Ų6360%0.59733%0.326SS*.SBendtrans-59.4-10.1178.9-2536.5000116.3R108R108-P135 PolarHBondContact NH1-O 3.05Å; R108-P135 VanDerWaalsContact NH2-CA 3.25Å
136D71Confident60.3Low84 Ų8456.6 Ų56.645%0.44930%0.303SS..SBendtrans-64.9146.4-172.5-52.7-53000112.7R108 T134 D138 S139R108-D136 PolarHBondContact NH1-O 2.93Å; T134-D136 WeakPolarHBondContact CB-OD2 3.12Å; T134-D136 PolarHBondContact O-N 2.67Å; T134-D136 PolarHBondContact OG1-OD2 3.38Å; D136-D138 WeakPolarHBondContact CB-OD1 3.34Å; D136-D138 PolarHBondContact O-N 2.89Å; D136-S139 WeakPolarHBondContact O-CB 3.41Å; D136-S139 PolarHBondContact O-N 3.22Å
137P63.3Low59.6Low126 Ų12655.5 Ų55.582%0.81831%0.305SS*.THydrogen-bonded Turntrans-58-30.4-176.9-25.134.1000115
138D68.5Low59.3Low144 Ų14458.2 Ų58.277%0.7732%0.317SS*.THydrogen-bonded Turntrans-978.7-179.866-38.8000113.1D136 R140D136-D138 WeakPolarHBondContact CB-OD1 3.34Å; D136-D138 PolarHBondContact O-N 2.89Å; D138-R140 PolarHBondContact O-N 3.06Å
139S66.9Low58.9Low13 Ų1357.2 Ų57.29%0.09132%0.316CS..PPolyproline II helixtrans-55.6137178171.90000111Y132 Q133 T134 D136Y132-S139 WeakPolarHBondContact CD1-O 3.26Å; Y132-S139 WeakPolarHBondContact CE1-O 3.47Å; Q133-S139 PolarHBondContact N-OG 3.23Å; T134-S139 PolarHBondContact N-OG 3.28Å; T134-S139 WeakPolarHBondContact O-CB 3.47Å; T134-S139 PolarHBondContact O-OG 3.13Å; T134-S139 VanDerWaalsContact O-OG 3.05Å; D136-S139 WeakPolarHBondContact O-CB 3.41Å; D136-S139 PolarHBondContact O-N 3.22Å
140R64.3Low58.3Low117 Ų11758 Ų5844%0.44232%0.316SS..PPolyproline II helixtrans-71.5160.4172.172.9-17170.4-174.4-0.4111.3P78 Y132 Q133 D138 I142P78-R140 WeakPolarHBondContact O-CD 3.12Å; Y132-R140 WeakPolarHBondContact CA-O 3.41Å; Q133-R140 HydrophobicContact CB-CG 4.08Å; Q133-R140 PolarHBondContact N-O 2.88Å; Q133-R140 VanDerWaalsContact OE1-CD 3.26Å; D138-R140 PolarHBondContact O-N 3.06Å; R140-I142 HydrophobicContact CG-CG1 4.49Å
141I63.1Low57.2Low2 Ų259.1 Ų59.11%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-85.7142171.5-59.7166.9000110.9N79 L105 L123 Q126 L130 Y132N79-I141 WeakPolarHBondContact CA-O 3.2Å; N79-I141 WeakPolarHBondContact CB-O 3.47Å; N79-I141 PolarHBondContact ND2-O 3.14Å; L105-I141 HydrophobicContact CD1-CD1 4.43Å; L123-I141 HydrophobicContact CB-CD1 3.78Å; L123-I141 HydrophobicContact CD2-CD1 3.27Å; L123-I141 HydrophobicContact CD2-CG1 3.83Å; L123-I141 HydrophobicContact CG-CD1 4.09Å; Q126-I141 HydrophobicContact CB-CB 4.09Å; Q126-I141 HydrophobicContact CB-CD1 4.19Å; L130-I141 HydrophobicContact CB-CG2 3.35Å; L130-I141 HydrophobicContact CD1-CD1 4.32Å; L130-I141 HydrophobicContact CD1-CG2 4.06Å; L130-I141 HydrophobicContact CD2-CB 4.32Å; L130-I141 HydrophobicContact CD2-CG2 3.02Å; L130-I141 HydrophobicContact CG-CG2 3.55Å; Y132-I141 HydrophobicContact CE1-CG1 4.46Å
142I58.8Low56.7Low9 Ų963.9 Ų63.95%0.04636%0.356CS..EExtended strand (participates in β ladder)trans-123.6128.8175.2-58.5-174000109.9N79 V81 V100 L130 L131 Q133 R140 T144N79-I142 WeakPolarHBondContact O-CA 3.19Å; V81-I142 HydrophobicContact CB-CG2 3.8Å; V100-I142 HydrophobicContact CG1-CD1 4.41Å; V100-I142 HydrophobicContact CG2-CB 4.36Å; V100-I142 HydrophobicContact CG2-CD1 3.9Å; V100-I142 HydrophobicContact CG2-CG2 4.11Å; L130-I142 WeakPolarHBondContact CA-O 3.5Å; L131-I142 PolarHBondContact N-O 3.31Å; L131-I142 PolarHBondContact O-N 3.24Å; Q133-I142 HydrophobicContact CB-CD1 3.53Å; Q133-I142 HydrophobicContact CB-CG1 4.05Å; Q133-I142 HydrophobicContact CG-CD1 3.53Å; R140-I142 HydrophobicContact CG-CG1 4.49Å; I142-T144 HydrophobicContact CB-CG2 4.5Å; I142-T144 HydrophobicContact CG2-CG2 4.04Å
143I64.2Low55.7Low26 Ų2670.7 Ų70.713%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-75.3114.2169.3-54.6175000108.6N79 I80 V81 P127 E128 N129 L130 F146N79-I143 WeakPolarHBondContact O-CB 3.47Å; N79-I143 WeakPolarHBondContact O-CG1 3.48Å; N79-I143 PolarHBondContact O-N 3.41Å; I80-I143 HydrophobicContact CG1-CB 4.35Å; I80-I143 HydrophobicContact CG1-CD1 4Å; V81-I143 WeakPolarHBondContact CB-O 3.01Å; V81-I143 WeakPolarHBondContact CG1-O 3.03Å; V81-I143 PolarHBondContact N-O 2.81Å; P127-I143 WeakPolarHBondContact O-CD1 3.39Å; P127-I143 WeakPolarHBondContact O-CG1 3.3Å; E128-I143 VanDerWaalsContact O-CA 3.31Å; E128-I143 WeakPolarHBondContact O-CA 3.33Å; E128-I143 VanDerWaalsContact O-CB 3.29Å; E128-I143 WeakPolarHBondContact O-CB 3.48Å; E128-I143 WeakPolarHBondContact O-CG1 3.5Å; E128-I143 WeakPolarHBondContact O-CG2 3.35Å; N129-I143 CarbonylContact O-C 3.57Å; N129-I143 WeakPolarHBondContact O-CA 3.49Å; L130-I143 HydrophobicContact CD2-CG1 4.11Å; I143-F146 HydrophobicContact CB-CE2 4.08Å; I143-F146 HydrophobicContact CB-CZ 4.04Å; I143-F146 HydrophobicContact CG2-CD2 4.26Å; I143-F146 HydrophobicContact CG2-CE1 4.11Å; I143-F146 HydrophobicContact CG2-CE2 3.39Å; I143-F146 HydrophobicContact CG2-CZ 3.31Å
144T61.1Low54.4Low38 Ų3869.9 Ų69.923%0.23339%0.391CS..  trans-106.6-14.4-172.764.50000116.4V81 V100 N129 L131 I142V81-T144 HydrophobicContact CB-CG2 4.19Å; V100-T144 HydrophobicContact CB-CG2 4.48Å; V100-T144 HydrophobicContact CG2-CG2 4.08Å; N129-T144 PolarHBondContact O-N 3.45Å; N129-T144 PolarHBondContact O-OG1 3.47Å; L131-T144 HydrophobicContact CB-CG2 3.94Å; L131-T144 HydrophobicContact CD1-CG2 3.69Å; L131-T144 HydrophobicContact CG-CG2 3.75Å; I142-T144 HydrophobicContact CB-CG2 4.5Å; I142-T144 HydrophobicContact CG2-CG2 4.04Å
145D58.8Low52.5Low70 Ų7076.7 Ų76.737%0.37442%0.419SS..  trans-129.2103.6-173.4-166.823.8000112K51 N129 G147K51-D145 IonicContact NZ-OD1 2.67Å; K51-D145 PolarHBondContact NZ-OD1 2.95Å; K51-D145 VanDerWaalsContact NZ-OD1 3.1Å; N129-D145 HydrophobicContact CB-CB 3.98Å; N129-D145 WeakPolarHBondContact ND2-CB 3.42Å; N129-D145 PolarHBondContact ND2-O 2.88Å; D145-G147 PolarHBondContact OD1-N 3.07Å
146F52.3Low50.8Low28 Ų2877.3 Ų77.312%0.12342%0.421CS..  trans-102.113.4175.5-73.9-86.8000111.8L72 L75 I80 I143 L148 S149L72-F146 HydrophobicContact CD1-CB 4.42Å; L72-F146 HydrophobicContact CD2-CB 3.46Å; L72-F146 VanDerWaalsContact CD2-CB 3.46Å; L72-F146 HydrophobicContact CD2-CD2 3.46Å; L72-F146 VanDerWaalsContact CD2-CD2 3.46Å; L72-F146 HydrophobicContact CD2-CE2 4.43Å; L72-F146 HydrophobicContact CD2-CG 3.62Å; L72-F146 HydrophobicContact CG-CB 3.91Å; L75-F146 HydrophobicContact CD1-CD1 3.6Å; L75-F146 HydrophobicContact CD1-CD2 4.33Å; L75-F146 HydrophobicContact CD1-CE1 3.46Å; L75-F146 VanDerWaalsContact CD1-CE1 3.46Å; L75-F146 HydrophobicContact CD1-CE2 4.23Å; L75-F146 HydrophobicContact CD1-CG 4.04Å; L75-F146 HydrophobicContact CD1-CZ 3.8Å; I80-F146 HydrophobicContact CB-CE2 4.29Å; I80-F146 HydrophobicContact CB-CZ 4.16Å; I80-F146 HydrophobicContact CD1-CE1 4.41Å; I80-F146 HydrophobicContact CD1-CZ 3.79Å; I80-F146 HydrophobicContact CG1-CE2 4.37Å; I80-F146 HydrophobicContact CG1-CZ 3.77Å; I80-F146 HydrophobicContact CG2-CD2 4.38Å; I80-F146 HydrophobicContact CG2-CE2 3.35Å; I80-F146 HydrophobicContact CG2-CZ 3.49Å; I80-F146 VanDerWaalsContact CG2-CZ 3.49Å; I143-F146 HydrophobicContact CB-CE2 4.08Å; I143-F146 HydrophobicContact CB-CZ 4.04Å; I143-F146 HydrophobicContact CG2-CD2 4.26Å; I143-F146 HydrophobicContact CG2-CE1 4.11Å; I143-F146 HydrophobicContact CG2-CE2 3.39Å; I143-F146 HydrophobicContact CG2-CZ 3.31Å; F146-L148 PolarHBondContact O-N 2.81Å; F146-S149 VanDerWaalsContact CB-OG 3.32Å; F146-S149 WeakPolarHBondContact CB-OG 3.14Å; F146-S149 WeakPolarHBondContact CD1-OG 3.21Å; F146-S149 PolarHBondContact O-N 3.17Å; F146-S149 PolarHBondContact O-OG 3.3Å
147G49.4Very low48.9Very low28 Ų2876.4 Ų76.429%0.28942%0.415SS..THydrogen-bonded Turntrans-58.7-11.8-173.700000115.3E68 D145E68-G147 WeakPolarHBondContact OE1-CA 3.24Å; D145-G147 PolarHBondContact OD1-N 3.07Å
148L38.4Very low47.4Very low103 Ų10378.1 Ų78.154%0.53941%0.412SS..THydrogen-bonded Turntrans-115.9-4.7177.9-58.1177.1000113.6F146 C161F146-L148 PolarHBondContact O-N 2.81Å; L148-C161 HydrophobicContact CD1-CB 4.01Å; L148-C161 VanDerWaalsContact CD1-O 3.23Å; L148-C161 WeakPolarHBondContact CD1-O 3.34Å; L148-C161 HydrophobicContact CD2-CB 3.39Å; L148-C161 HydrophobicContact CG-CB 4.31Å
149S35Very low45.4Very low37 Ų3776.4 Ų76.426%0.25941%0.407SS..  trans-78.5136.4-177.5710000111.2F146F146-S149 VanDerWaalsContact CB-OG 3.32Å; F146-S149 WeakPolarHBondContact CB-OG 3.14Å; F146-S149 WeakPolarHBondContact CD1-OG 3.21Å; F146-S149 PolarHBondContact O-N 3.17Å; F146-S149 PolarHBondContact O-OG 3.3Å
150K39Very low43.6Very low98 Ų9879.1 Ų79.143%0.42643%0.431SS..  trans-126.2144.2169.2-75.1-174.8177.7-178.90109.1M157K150-M157 HydrophobicContact CB-CE 4.22Å; K150-M157 HydrophobicContact CD-CE 4.45Å; K150-M157 HydrophobicContact CD-CG 4.5Å; K150-M157 HydrophobicContact CG-CE 4.47Å
151S37.3Very low41.9Very low42 Ų4277.1 Ų77.129%0.29443%0.434SS..  trans-68.8143.1173.948.90000111E153 S154S151-E153 PolarHBondContact O-N 3.12Å; S151-S154 PolarHBondContact O-N 2.96Å
152V43.7Very low41.1Very low143 Ų14379 Ų7987%0.86745%0.453SS*.THydrogen-bonded Turntrans-50.6-23.4-179.9-177.50000113.8S154V152-S154 PolarHBondContact O-N 3.47Å
153E36.8Very low40.6Very low165 Ų16580.6 Ų80.677%0.77146%0.463SS*.THydrogen-bonded Turntrans-67.6-10.4177.8-67.7179167.400114.6S151S151-E153 PolarHBondContact O-N 3.12Å
154S33.3Very low40.3Very low57 Ų5780.2 Ų80.240%0.39946%0.463SS..SBendtrans-106.1111.8-179.3-58.20000111S151 V152S151-S154 PolarHBondContact O-N 2.96Å; V152-S154 PolarHBondContact O-N 3.47Å
155E30.5Very low40.3Very low188 Ų18879 Ų7988%0.87946%0.458SS*.  trans-50.5133.4-180-71177.3153.200113.3
156V31.4Very low40.8Very low105 Ų10578 Ų7864%0.63645%0.449SS*.  trans36.5110.2156.5-161.10000117.3
157M30.9Very low41.7Very low65 Ų6577.7 Ų77.732%0.3245%0.45SS..  trans-81.5144.6172.3-82.5-162.6-126.900113.2K150 Y177K150-M157 HydrophobicContact CB-CE 4.22Å; K150-M157 HydrophobicContact CD-CE 4.45Å; K150-M157 HydrophobicContact CD-CG 4.5Å; K150-M157 HydrophobicContact CG-CE 4.47Å; M157-Y177 HydrophobicContact CB-CE1 3.97Å; M157-Y177 WeakPolarHBondContact CB-OH 3.2Å; M157-Y177 HydrophobicContact CE-CE2 4.4Å; M157-Y177 WeakPolarHBondContact CE-OH 3.28Å; M157-Y177 WeakPolarHBondContact CG-OH 3.4Å; M157-Y177 PolarHBondContact SD-OH 2.87Å
158E32.1Very low43Very low163 Ų16376.5 Ų76.576%0.76244%0.437SS*.  trans-118.718169.1-76.2-171.1164.400114.2
159T27.2Very low45.3Very low107 Ų10771.8 Ų71.866%0.65641%0.412SS*.  trans-137.8107.8-174.7-32.90000114.1C161T159-C161 PolarHBondContact O-N 3.35Å; T159-C161 VanDerWaalsContact O-N 3.13Å
160A27.4Very low47.7Very low71 Ų7170.5 Ų70.559%0.58740%0.402SS*.  trans-72.196174.400000110.6
161C29Very low49.4Very low75 Ų7567.2 Ų67.251%0.50739%0.39SS..  trans-105.8118.1165.4-66.40000106.8L148 T159L148-C161 HydrophobicContact CD1-CB 4.01Å; L148-C161 VanDerWaalsContact CD1-O 3.23Å; L148-C161 WeakPolarHBondContact CD1-O 3.34Å; L148-C161 HydrophobicContact CD2-CB 3.39Å; L148-C161 HydrophobicContact CG-CB 4.31Å; T159-C161 PolarHBondContact O-N 3.35Å; T159-C161 VanDerWaalsContact O-N 3.13Å
162G45.7Very low51.2Low41 Ų4167 Ų6742%0.42339%0.386SS..SBendtrans164.7163.5179.800000111.7P164G162-P164 WeakPolarHBondContact O-CD 3.47Å
163T49.6Very low52.8Low42 Ų4261.8 Ų61.826%0.25836%0.358SS..  trans-71.3116.2161.2-62.90000105.9G165 Y166 K286T163-G165 PolarHBondContact O-N 3.03Å; T163-Y166 HydrophobicContact CG2-CD2 4.06Å; T163-Y166 HydrophobicContact CG2-CE2 3.9Å; T163-Y166 PolarHBondContact O-N 2.97Å; T163-Y166 VanDerWaalsContact O-N 3.13Å; T163-K286 HydrophobicContact CG2-CD 4.29Å
164P57.2Low54.6Low18 Ų1861.1 Ų61.112%0.11735%0.354CS..G310 helixtrans-59-26.1-164.419.1-31.6000113.8G162 Y166 V167 L208 F209 I212 Y290G162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-Y166 PolarHBondContact O-N 3.03Å; P164-Y166 VanDerWaalsContact O-N 3.13Å; P164-V167 WeakPolarHBondContact O-CB 3.25Å; P164-V167 PolarHBondContact O-N 3.32Å; P164-L208 HydrophobicContact CB-CD2 4.48Å; P164-L208 HydrophobicContact CG-CD2 3.92Å; P164-F209 HydrophobicContact CB-CD1 4.17Å; P164-F209 HydrophobicContact CB-CE1 3.42Å; P164-F209 VanDerWaalsContact CB-CE1 3.42Å; P164-F209 HydrophobicContact CB-CZ 4.26Å; P164-F209 HydrophobicContact CG-CE1 3.86Å; P164-I212 WeakPolarHBondContact O-CD1 3.48Å; P164-Y290 WeakPolarHBondContact CD-OH 3.48Å
165G61.1Low56.6Low12 Ų1264.4 Ų64.412%0.12436%0.362CS..G310 helixtrans-61.7-18.117900000115.9T163 V188T163-G165 PolarHBondContact O-N 3.03Å; G165-V188 WeakPolarHBondContact O-CG1 3.36Å
166Y68.9Low58.6Low49 Ų4960.5 Ų60.519%0.19235%0.352CS..G310 helixtrans-96.6-10.7174.8-55.7-88.7000112.6E128 T163 P164 S185 V188 I192 Q283E128-Y166 WeakPolarHBondContact OE1-CD1 3.5Å; T163-Y166 HydrophobicContact CG2-CD2 4.06Å; T163-Y166 HydrophobicContact CG2-CE2 3.9Å; T163-Y166 PolarHBondContact O-N 2.97Å; T163-Y166 VanDerWaalsContact O-N 3.13Å; P164-Y166 PolarHBondContact O-N 3.03Å; P164-Y166 VanDerWaalsContact O-N 3.13Å; Y166-S185 PolarHBondContact O-OG 2.53Å; Y166-S185 VanDerWaalsContact O-OG 3.07Å; Y166-V188 HydrophobicContact CD1-CB 4.05Å; Y166-V188 HydrophobicContact CD1-CG1 3.42Å; Y166-V188 VanDerWaalsContact CD1-CG1 3.42Å; Y166-V188 HydrophobicContact CE1-CG1 3.75Å; Y166-V188 HydrophobicContact CG-CG1 4.15Å; Y166-I192 HydrophobicContact CE1-CD1 3.63Å; Y166-Q283 PolarHBondContact OH-NE2 3.4Å
167V72.1Confident60.6Low23 Ų2358.9 Ų58.914%0.13934%0.335CS..SBendtrans-81132.9-171.4-1790000109.6P164 V171 L172 W184 I212P164-V167 WeakPolarHBondContact O-CB 3.25Å; P164-V167 PolarHBondContact O-N 3.32Å; V167-V171 HydrophobicContact CG1-CB 3.59Å; V167-V171 HydrophobicContact CG1-CG1 3.58Å; V167-V171 HydrophobicContact CG1-CG2 4.42Å; V167-L172 HydrophobicContact CB-CD2 4.16Å; V167-L172 HydrophobicContact CB-CG 4.37Å; V167-L172 HydrophobicContact CG1-CD2 3.78Å; V167-L172 HydrophobicContact CG1-CG 3.93Å; V167-W184 PolarHBondContact O-NE1 3.23Å; V167-I212 WeakPolarHBondContact O-CG2 3.26Å
168A76.4Confident62.7Low2 Ų257.4 Ų57.42%0.01734%0.337CS..  trans-65.3148.8178.900000112.1E170 V171 L172 V181 W184A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.26Å; A168-V171 HydrophobicContact CB-CG2 4.24Å; A168-V171 WeakPolarHBondContact O-CB 3.4Å; A168-V171 PolarHBondContact O-N 3.49Å; A168-L172 PolarHBondContact O-N 2.83Å; A168-V181 HydrophobicContact CB-CB 3.9Å; A168-V181 HydrophobicContact CB-CG1 3.92Å; A168-W184 HydrophobicContact CB-CB 3.81Å; A168-W184 HydrophobicContact CB-CD2 4.42Å; A168-W184 HydrophobicContact CB-CG 3.8Å
169P87.7Confident64.9Low4 Ų457.6 Ų57.63%0.02633%0.331CS..Hα-helixtrans-53.2-45.4-178.8-28.536.3000113.1V171 L172 A173 W184 I212 M213 V241P169-V171 PolarHBondContact O-N 3Å; P169-L172 PolarHBondContact O-N 3.28Å; P169-L172 VanDerWaalsContact O-N 3.14Å; P169-A173 WeakPolarHBondContact O-CB 3.31Å; P169-A173 PolarHBondContact O-N 3.07Å; P169-W184 HydrophobicContact CG-CD2 4.44Å; P169-W184 HydrophobicContact CG-CE3 4.12Å; P169-W184 HydrophobicContact CG-CH2 3.56Å; P169-W184 HydrophobicContact CG-CZ2 3.91Å; P169-W184 HydrophobicContact CG-CZ3 3.68Å; P169-I212 HydrophobicContact CG-CG2 4.29Å; P169-I212 WeakPolarHBondContact CG-O 3.28Å; P169-M213 HydrophobicContact CB-SD 4.17Å; P169-V241 HydrophobicContact CB-CG1 4.24Å; P169-V241 HydrophobicContact CG-CG1 4.31Å
170E85.1Confident67.7Low11 Ų1154.6 Ų54.65%0.05131%0.31CS..Hα-helixtrans-63.7-27.9-178.763.6-87.5-154.600113.5A168 Q174 K175 V181 P243 R246A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.26Å; E170-Q174 PolarHBondContact O-N 2.98Å; E170-K175 HydrophobicContact CB-CB 4.29Å; E170-K175 PolarHBondContact O-N 3.13Å; E170-V181 HydrophobicContact CG-CG1 4.13Å; E170-V181 WeakPolarHBondContact OE1-CG1 3.38Å; E170-P243 HydrophobicContact CB-CG 4.32Å; E170-P243 HydrophobicContact CG-CG 4.14Å; E170-R246 IonicContact OE1-CZ 3.05Å; E170-R246 IonicContact OE1-NH1 3.31Å; E170-R246 PolarHBondContact OE1-NH1 3.32Å; E170-R246 IonicContact OE1-NH2 2.67Å; E170-R246 PolarHBondContact OE1-NH2 2.75Å; E170-R246 IonicContact OE2-CZ 3.92Å; E170-R246 IonicContact OE2-NH1 3.47Å; E170-R246 IonicContact OE2-NH2 2.93Å; E170-R246 PolarHBondContact OE2-NH2 3.1Å
171V74.7Confident70.1Confident29 Ų2952.1 Ų52.118%0.17629%0.287CS..Hα-helixtrans-73.1-43.2174.7179.90000110.1V167 A168 P169 A173 Q174 Y177 V181V167-V171 HydrophobicContact CG1-CB 3.59Å; V167-V171 HydrophobicContact CG1-CG1 3.58Å; V167-V171 HydrophobicContact CG1-CG2 4.42Å; A168-V171 HydrophobicContact CB-CG2 4.24Å; A168-V171 WeakPolarHBondContact O-CB 3.4Å; A168-V171 PolarHBondContact O-N 3.49Å; P169-V171 PolarHBondContact O-N 3Å; V171-A173 VanDerWaalsContact C-N 3.28Å; V171-A173 PolarHBondContact O-N 2.78Å; V171-Q174 PolarHBondContact O-N 3.15Å; V171-Q174 VanDerWaalsContact O-N 3.13Å; V171-Y177 HydrophobicContact CG1-CE1 4.38Å; V171-Y177 HydrophobicContact CG2-CD1 3.82Å; V171-Y177 HydrophobicContact CG2-CD2 4.31Å; V171-Y177 HydrophobicContact CG2-CE1 4.07Å; V171-Y177 HydrophobicContact CG2-CG 3.92Å; V171-V181 HydrophobicContact CG2-CB 4.19Å; V171-V181 HydrophobicContact CG2-CG1 3.55Å
172L74.5Confident72.4Confident37 Ų3753.2 Ų53.219%0.19429%0.288CS..Hα-helixtrans-65.2-34.6174.1-63.9-176.9000111.9V167 A168 P169 Q174 F209 I212 M213V167-L172 HydrophobicContact CB-CD2 4.16Å; V167-L172 HydrophobicContact CB-CG 4.37Å; V167-L172 HydrophobicContact CG1-CD2 3.78Å; V167-L172 HydrophobicContact CG1-CG 3.93Å; A168-L172 PolarHBondContact O-N 2.83Å; P169-L172 PolarHBondContact O-N 3.28Å; P169-L172 VanDerWaalsContact O-N 3.14Å; L172-Q174 PolarHBondContact O-N 2.99Å; L172-F209 HydrophobicContact CD1-CD1 4.3Å; L172-F209 HydrophobicContact CD1-CG 4.44Å; L172-I212 HydrophobicContact CD1-CB 3.93Å; L172-I212 HydrophobicContact CD1-CD1 3.98Å; L172-I212 HydrophobicContact CD1-CG2 3.56Å; L172-M213 HydrophobicContact CB-SD 4.02Å
173A76.5Confident74.3Confident34 Ų3451.4 Ų51.428%0.28127%0.268SS..THydrogen-bonded Turntrans-71.1-4.2175.200000113.7P169 V171 K175 M213P169-A173 WeakPolarHBondContact O-CB 3.31Å; P169-A173 PolarHBondContact O-N 3.07Å; V171-A173 VanDerWaalsContact C-N 3.28Å; V171-A173 PolarHBondContact O-N 2.78Å; A173-K175 HydrophobicContact CB-CD 4Å; A173-K175 HydrophobicContact CB-CG 3.87Å; A173-K175 PolarHBondContact O-N 3.13Å; A173-M213 HydrophobicContact CB-CE 3.54Å; A173-M213 HydrophobicContact CB-SD 3.89Å
174Q75.7Confident76Confident150 Ų15049.4 Ų49.470%0.70126%0.256SS*.THydrogen-bonded Turntrans53.133.1-172.9-57.5-178.7-15.300112.7E170 V171 L172E170-Q174 PolarHBondContact O-N 2.98Å; V171-Q174 PolarHBondContact O-N 3.15Å; V171-Q174 VanDerWaalsContact O-N 3.13Å; L172-Q174 PolarHBondContact O-N 2.99Å
175K74.5Confident77.1Confident127 Ų12749.3 Ų49.355%0.55226%0.256SS*.  trans-85.6153.8173.7-69.6177.6-179.2178.70109.4E170 A173 Y177E170-K175 HydrophobicContact CB-CB 4.29Å; E170-K175 PolarHBondContact O-N 3.13Å; A173-K175 HydrophobicContact CB-CD 4Å; A173-K175 HydrophobicContact CB-CG 3.87Å; A173-K175 PolarHBondContact O-N 3.13Å; K175-Y177 WeakPolarHBondContact O-CD1 3.5Å; K175-Y177 PolarHBondContact O-N 3.26Å
176P72.8Confident78.2Confident105 Ų10549.8 Ų49.868%0.68226%0.255SS*.  trans-53.7135.2164.9-22.533.4000109.8
177Y74.1Confident79.1Confident71 Ų7147.4 Ų47.428%0.27825%0.246SC..  trans-136157.4-177.863.3-98.9000110.7M157 V171 K175 V181M157-Y177 HydrophobicContact CB-CE1 3.97Å; M157-Y177 WeakPolarHBondContact CB-OH 3.2Å; M157-Y177 HydrophobicContact CE-CE2 4.4Å; M157-Y177 WeakPolarHBondContact CE-OH 3.28Å; M157-Y177 WeakPolarHBondContact CG-OH 3.4Å; M157-Y177 PolarHBondContact SD-OH 2.87Å; V171-Y177 HydrophobicContact CG1-CE1 4.38Å; V171-Y177 HydrophobicContact CG2-CD1 3.82Å; V171-Y177 HydrophobicContact CG2-CD2 4.31Å; V171-Y177 HydrophobicContact CG2-CE1 4.07Å; V171-Y177 HydrophobicContact CG2-CG 3.92Å; K175-Y177 WeakPolarHBondContact O-CD1 3.5Å; K175-Y177 PolarHBondContact O-N 3.26Å; Y177-V181 HydrophobicContact CD2-CG1 3.64Å; Y177-V181 HydrophobicContact CD2-CG2 4.12Å; Y177-V181 HydrophobicContact CE2-CG2 4.42Å; Y177-V181 HydrophobicContact CG-CG1 3.83Å
178G75.3Confident79.6Confident35 Ų3546.4 Ų46.436%0.36124%0.24SC..  trans-115.6-159177.200000112.1E180 V181G178-E180 VanDerWaalsContact C-OE2 3.24Å; G178-E180 VanDerWaalsContact CA-OE2 3.25Å; G178-E180 WeakPolarHBondContact CA-OE2 3.23Å; G178-E180 PolarHBondContact O-N 3.09Å; G178-E180 VanDerWaalsContact O-N 3.17Å; G178-V181 WeakPolarHBondContact O-CG2 3.37Å; G178-V181 PolarHBondContact O-N 3.2Å
179R78.2Confident79.8Confident167 Ų16746.6 Ų46.663%0.6324%0.241SC*.THydrogen-bonded Turntrans-64-13.3176.461.7-177.2177.9-176.4-0113.8V181 D182R179-V181 PolarHBondContact O-N 2.89Å; R179-D182 WeakPolarHBondContact O-CB 3.01Å; R179-D182 PolarHBondContact O-N 3.45Å; R179-D182 VanDerWaalsContact O-N 3.16Å
180E84.2Confident79.7Confident44 Ų4446.4 Ų46.421%0.20624%0.24CC..Hα-helixtrans-65.3-20.8-179.2-64.467.3-146.500111.6G178 D182 V183 W184 P243 R246G178-E180 VanDerWaalsContact C-OE2 3.24Å; G178-E180 VanDerWaalsContact CA-OE2 3.25Å; G178-E180 WeakPolarHBondContact CA-OE2 3.23Å; G178-E180 PolarHBondContact O-N 3.09Å; G178-E180 VanDerWaalsContact O-N 3.17Å; E180-D182 VanDerWaalsContact C-N 3.28Å; E180-D182 PolarHBondContact O-N 2.88Å; E180-V183 WeakPolarHBondContact O-CB 3.46Å; E180-V183 PolarHBondContact O-N 3.33Å; E180-W184 PolarHBondContact O-N 2.79Å; E180-P243 HydrophobicContact CB-CB 4.42Å; E180-R246 VanDerWaalsContact C-NH1 3.34Å; E180-R246 WeakPolarHBondContact O-CD 3.47Å; E180-R246 PolarHBondContact O-NH1 2.98Å
181V78.6Confident79.8Confident19 Ų1946 Ų4612%0.11524%0.237CC..Hα-helixtrans-63.9-33.8173.6-56.30000112.1A168 E170 V171 Y177 G178 R179 V183 W184 S185A168-V181 HydrophobicContact CB-CB 3.9Å; A168-V181 HydrophobicContact CB-CG1 3.92Å; E170-V181 HydrophobicContact CG-CG1 4.13Å; E170-V181 WeakPolarHBondContact OE1-CG1 3.38Å; V171-V181 HydrophobicContact CG2-CB 4.19Å; V171-V181 HydrophobicContact CG2-CG1 3.55Å; Y177-V181 HydrophobicContact CD2-CG1 3.64Å; Y177-V181 HydrophobicContact CD2-CG2 4.12Å; Y177-V181 HydrophobicContact CE2-CG2 4.42Å; Y177-V181 HydrophobicContact CG-CG1 3.83Å; G178-V181 WeakPolarHBondContact O-CG2 3.37Å; G178-V181 PolarHBondContact O-N 3.2Å; R179-V181 PolarHBondContact O-N 2.89Å; V181-V183 VanDerWaalsContact C-N 3.28Å; V181-V183 PolarHBondContact O-N 2.82Å; V181-W184 WeakPolarHBondContact O-CB 3.48Å; V181-W184 PolarHBondContact O-N 3.44Å; V181-S185 PolarHBondContact O-N 3.33Å; V181-S185 PolarHBondContact O-OG 3.39Å
182D76.9Confident80.2Confident97 Ų9744.6 Ų44.652%0.51923%0.229SC..Hα-helixtrans-67-35.7177.7-61.3-37.5000110.3R179 E180 W184 S185 I186R179-D182 WeakPolarHBondContact O-CB 3.01Å; R179-D182 PolarHBondContact O-N 3.45Å; R179-D182 VanDerWaalsContact O-N 3.16Å; E180-D182 VanDerWaalsContact C-N 3.28Å; E180-D182 PolarHBondContact O-N 2.88Å; D182-W184 VanDerWaalsContact C-N 3.32Å; D182-W184 PolarHBondContact O-N 2.85Å; D182-S185 PolarHBondContact O-N 2.79Å; D182-I186 WeakPolarHBondContact O-CG1 3.39Å; D182-I186 PolarHBondContact O-N 3.31Å
183V85.3Confident80.5Confident3 Ų342.9 Ų42.92%0.01822%0.22CC..Hα-helixtrans-63.2-40.2176.4-1750000110.8E180 V181 I186 G187 L238 R246 Y247E180-V183 WeakPolarHBondContact O-CB 3.46Å; E180-V183 PolarHBondContact O-N 3.33Å; V181-V183 VanDerWaalsContact C-N 3.28Å; V181-V183 PolarHBondContact O-N 2.82Å; V183-I186 WeakPolarHBondContact O-CB 3.46Å; V183-I186 PolarHBondContact O-N 3.07Å; V183-G187 PolarHBondContact O-N 3.01Å; V183-L238 HydrophobicContact CG1-CB 4.03Å; V183-L238 HydrophobicContact CG1-CD2 3.67Å; V183-L238 HydrophobicContact CG1-CG 3.98Å; V183-L238 WeakPolarHBondContact O-CD2 3.37Å; V183-R246 HydrophobicContact CB-CG 4.48Å; V183-R246 HydrophobicContact CG1-CG 4.18Å; V183-Y247 VanDerWaalsContact CG1-O 3.26Å; V183-Y247 WeakPolarHBondContact CG1-O 3.21Å; V183-Y247 WeakPolarHBondContact CG2-O 3.45Å
184W87Confident81Confident0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-59.8-49.5174.5174.5-83.6000111.4V167 A168 P169 E180 V181 D182 I186 G187 V188 F200 I212 M239 V241V167-W184 PolarHBondContact O-NE1 3.23Å; A168-W184 HydrophobicContact CB-CB 3.81Å; A168-W184 HydrophobicContact CB-CD2 4.42Å; A168-W184 HydrophobicContact CB-CG 3.8Å; P169-W184 HydrophobicContact CG-CD2 4.44Å; P169-W184 HydrophobicContact CG-CE3 4.12Å; P169-W184 HydrophobicContact CG-CH2 3.56Å; P169-W184 HydrophobicContact CG-CZ2 3.91Å; P169-W184 HydrophobicContact CG-CZ3 3.68Å; E180-W184 PolarHBondContact O-N 2.79Å; V181-W184 WeakPolarHBondContact O-CB 3.48Å; V181-W184 PolarHBondContact O-N 3.44Å; D182-W184 VanDerWaalsContact C-N 3.32Å; D182-W184 PolarHBondContact O-N 2.85Å; W184-I186 VanDerWaalsContact C-N 3.26Å; W184-I186 PolarHBondContact O-N 2.8Å; W184-G187 WeakPolarHBondContact O-CA 3.24Å; W184-G187 PolarHBondContact O-N 2.97Å; W184-V188 PolarHBondContact O-N 3.49Å; W184-F200 HydrophobicContact CH2-CE2 4.18Å; W184-F200 AromaticContact CH2-CZ 3.8Å; W184-F200 HydrophobicContact CH2-CZ 3.8Å; W184-F200 AromaticContact CZ2-CE2 3.44Å; W184-F200 HydrophobicContact CZ2-CE2 3.44Å; W184-F200 VanDerWaalsContact CZ2-CE2 3.44Å; W184-F200 AromaticContact CZ2-CZ 3.54Å; W184-F200 HydrophobicContact CZ2-CZ 3.54Å; W184-I212 HydrophobicContact CZ2-CG2 4.03Å; W184-M239 HydrophobicContact CE3-CB 4.23Å; W184-M239 HydrophobicContact CH2-CB 4.49Å; W184-M239 HydrophobicContact CZ2-CE 4.33Å; W184-M239 VanDerWaalsContact CZ3-C 3.47Å; W184-M239 HydrophobicContact CZ3-CB 4.09Å; W184-M239 VanDerWaalsContact CZ3-O 3.28Å; W184-M239 WeakPolarHBondContact CZ3-O 3.48Å; W184-V241 HydrophobicContact CZ3-CG2 4.44Å
185S80.4Confident81.4Confident16 Ų1634.2 Ų34.211%0.11217%0.174CC..Hα-helixtrans-56.9-41.8177.2-54.30000111.3Y166 V181 D182 G187 V188 I189Y166-S185 PolarHBondContact O-OG 2.53Å; Y166-S185 VanDerWaalsContact O-OG 3.07Å; V181-S185 PolarHBondContact O-N 3.33Å; V181-S185 PolarHBondContact O-OG 3.39Å; D182-S185 PolarHBondContact O-N 2.79Å; S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 2.66Å; S185-V188 PolarHBondContact O-N 3.05Å; S185-V188 VanDerWaalsContact O-N 3.12Å; S185-I189 VanDerWaalsContact O-CG1 3.28Å; S185-I189 WeakPolarHBondContact O-CG1 3.46Å; S185-I189 PolarHBondContact O-N 2.97Å
186I83.5Confident81.6Confident22 Ų2228.2 Ų28.211%0.11315%0.148CC..Hα-helixtrans-57.9-41.9174.4-64.9167.4000111.4I124 P127 D182 V183 W184 I189 A190 L238I124-I186 HydrophobicContact CD1-CG2 4.2Å; I124-I186 HydrophobicContact CG2-CG2 3.77Å; P127-I186 HydrophobicContact CB-CD1 3.84Å; P127-I186 HydrophobicContact CB-CG1 3.58Å; P127-I186 HydrophobicContact CG-CD1 4.02Å; P127-I186 HydrophobicContact CG-CG1 4.31Å; D182-I186 WeakPolarHBondContact O-CG1 3.39Å; D182-I186 PolarHBondContact O-N 3.31Å; V183-I186 WeakPolarHBondContact O-CB 3.46Å; V183-I186 PolarHBondContact O-N 3.07Å; W184-I186 VanDerWaalsContact C-N 3.26Å; W184-I186 PolarHBondContact O-N 2.8Å; I186-I189 PolarHBondContact O-N 2.81Å; I186-A190 WeakPolarHBondContact O-CB 3.28Å; I186-A190 PolarHBondContact O-N 2.96Å; I186-L238 HydrophobicContact CB-CD2 3.82Å; I186-L238 HydrophobicContact CG2-CD2 3.55Å
187G87.3Confident82Confident0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-60-45174.600000112.8V183 W184 S185 I189 A190 Y191 M239V183-G187 PolarHBondContact O-N 3.01Å; W184-G187 WeakPolarHBondContact O-CA 3.24Å; W184-G187 PolarHBondContact O-N 2.97Å; S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 2.66Å; G187-I189 PolarHBondContact O-N 3.07Å; G187-A190 PolarHBondContact O-N 2.76Å; G187-Y191 WeakPolarHBondContact O-CB 3.18Å; G187-Y191 PolarHBondContact O-N 3.35Å; G187-M239 VanDerWaalsContact C-SD 3.55Å
188V83.5Confident82.4Confident1 Ų123.4 Ų23.41%0.00612%0.121CC..Hα-helixtrans-62-43.2177.1176.10000111.5G165 Y166 W184 S185 Y191 I192 P199 F200 M239G165-V188 WeakPolarHBondContact O-CG1 3.36Å; Y166-V188 HydrophobicContact CD1-CB 4.05Å; Y166-V188 HydrophobicContact CD1-CG1 3.42Å; Y166-V188 VanDerWaalsContact CD1-CG1 3.42Å; Y166-V188 HydrophobicContact CE1-CG1 3.75Å; Y166-V188 HydrophobicContact CG-CG1 4.15Å; W184-V188 PolarHBondContact O-N 3.49Å; S185-V188 PolarHBondContact O-N 3.05Å; S185-V188 VanDerWaalsContact O-N 3.12Å; V188-Y191 WeakPolarHBondContact O-CB 3.19Å; V188-Y191 PolarHBondContact O-N 2.97Å; V188-I192 HydrophobicContact CG1-CD1 4Å; V188-I192 WeakPolarHBondContact O-CG1 3.43Å; V188-I192 PolarHBondContact O-N 3.27Å; V188-I192 VanDerWaalsContact O-N 3.07Å; V188-P199 HydrophobicContact CB-CG 4.43Å; V188-P199 HydrophobicContact CG1-CG 4.02Å; V188-P199 HydrophobicContact CG2-CG 4.23Å; V188-F200 HydrophobicContact CG2-CE2 4.49Å; V188-M239 HydrophobicContact CG2-CE 4.12Å; V188-M239 HydrophobicContact CG2-SD 4.24Å
189I79.5Confident82.8Confident7 Ų722.4 Ų22.44%0.03611%0.108CC..Hα-helixtrans-62.4-47.1174.7-56.7153.8000110.3I124 E128 S185 I186 G187 Y191 I192 L193I124-I189 HydrophobicContact CD1-CB 4.1Å; I124-I189 HydrophobicContact CD1-CG2 3.89Å; E128-I189 HydrophobicContact CB-CD1 4.33Å; E128-I189 HydrophobicContact CG-CD1 3.02Å; E128-I189 HydrophobicContact CG-CG1 3.78Å; E128-I189 WeakPolarHBondContact OE1-CD1 3.08Å; E128-I189 VanDerWaalsContact OE1-CG1 3.23Å; E128-I189 WeakPolarHBondContact OE1-CG1 3.42Å; S185-I189 VanDerWaalsContact O-CG1 3.28Å; S185-I189 WeakPolarHBondContact O-CG1 3.46Å; S185-I189 PolarHBondContact O-N 2.97Å; I186-I189 PolarHBondContact O-N 2.81Å; G187-I189 PolarHBondContact O-N 3.07Å; I189-Y191 PolarHBondContact O-N 3.19Å; I189-I192 PolarHBondContact O-N 3.18Å; I189-I192 VanDerWaalsContact O-N 3.1Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 3.87Å; I189-L193 WeakPolarHBondContact O-CB 3.14Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.42Å; I189-L193 PolarHBondContact O-N 3.3Å
190A85.6Confident83.2Confident0 Ų014.8 Ų14.80%08%0.079CC..Hα-helixtrans-58.2-42.7-178.400000110.5I124 I186 G187 L193 L194 F234 I235I124-A190 HydrophobicContact CD1-CB 3.64Å; I124-A190 HydrophobicContact CG1-CB 3.93Å; I186-A190 WeakPolarHBondContact O-CB 3.28Å; I186-A190 PolarHBondContact O-N 2.96Å; G187-A190 PolarHBondContact O-N 2.76Å; A190-L193 PolarHBondContact O-N 3.26Å; A190-L194 WeakPolarHBondContact O-CG 3.42Å; A190-L194 PolarHBondContact O-N 3.25Å; A190-L194 VanDerWaalsContact O-N 3.14Å; A190-F234 HydrophobicContact CB-CE1 4.34Å; A190-I235 HydrophobicContact CB-CD1 4.23Å; A190-I235 HydrophobicContact CB-CG1 3.92Å
191Y87.9Confident82.9Confident1 Ų117.7 Ų17.70%0.0049%0.089CC..Hα-helixtrans-56.6-52.7173.2-169.4-75.2000111.5G187 V188 I189 L193 L194 C195 Y197 P199 Y217 E218 F219 W224 I235G187-Y191 WeakPolarHBondContact O-CB 3.18Å; G187-Y191 PolarHBondContact O-N 3.35Å; V188-Y191 WeakPolarHBondContact O-CB 3.19Å; V188-Y191 PolarHBondContact O-N 2.97Å; I189-Y191 PolarHBondContact O-N 3.19Å; Y191-L193 VanDerWaalsContact C-N 3.33Å; Y191-L193 PolarHBondContact O-N 2.98Å; Y191-L194 PolarHBondContact O-N 3.18Å; Y191-C195 WeakPolarHBondContact CD1-SG 3.47Å; Y191-C195 WeakPolarHBondContact CE1-SG 3.35Å; Y191-C195 PolarHBondContact O-N 2.78Å; Y191-C195 VanDerWaalsContact O-N 3.14Å; Y191-C195 PolarHBondContact O-SG 3.34Å; Y191-Y197 VanDerWaalsContact CD1-O 3.3Å; Y191-Y197 WeakPolarHBondContact CD1-O 2.97Å; Y191-Y197 HydrophobicContact CE1-CD2 4.01Å; Y191-Y197 AromaticContact CE1-CE2 3.7Å; Y191-Y197 HydrophobicContact CE1-CE2 3.7Å; Y191-Y197 WeakPolarHBondContact CE1-O 2.96Å; Y191-Y197 AromaticContact CZ-CE2 3.97Å; Y191-Y197 VanDerWaalsContact OH-CE2 3.26Å; Y191-Y197 WeakPolarHBondContact OH-CE2 3.47Å; Y191-Y197 PolarHBondContact OH-OH 2.87Å; Y191-P199 HydrophobicContact CD1-CB 3.75Å; Y191-P199 HydrophobicContact CD1-CG 4.11Å; Y191-P199 HydrophobicContact CD2-CB 3.81Å; Y191-P199 HydrophobicContact CE1-CB 3.89Å; Y191-P199 HydrophobicContact CE2-CB 3.95Å; Y191-P199 HydrophobicContact CG-CB 3.73Å; Y191-P199 HydrophobicContact CG-CG 4.06Å; Y191-Y217 HydrophobicContact CD2-CD2 4.33Å; Y191-Y217 AromaticContact CE2-CD2 3.98Å; Y191-Y217 HydrophobicContact CE2-CD2 3.98Å; Y191-E218 PolarHBondContact OH-O 2.96Å; Y191-F219 HydrophobicContact CD2-CD1 4.45Å; Y191-F219 HydrophobicContact CD2-CE1 4.15Å; Y191-F219 AromaticContact CE2-CD1 3.96Å; Y191-F219 HydrophobicContact CE2-CD1 3.96Å; Y191-F219 HydrophobicContact CE2-CE1 4.07Å; Y191-W224 AromaticContact CD1-CZ2 3.92Å; Y191-W224 HydrophobicContact CD1-CZ2 3.92Å; Y191-W224 AromaticContact CD2-CH2 3.92Å; Y191-W224 HydrophobicContact CD2-CH2 3.92Å; Y191-W224 AromaticContact CD2-CZ2 3.4Å; Y191-W224 HydrophobicContact CD2-CZ2 3.4Å; Y191-W224 VanDerWaalsContact CD2-CZ2 3.4Å; Y191-W224 AromaticContact CE1-CZ2 3.88Å; Y191-W224 HydrophobicContact CE1-CZ2 3.88Å; Y191-W224 AromaticContact CE2-CE2 3.78Å; Y191-W224 HydrophobicContact CE2-CH2 4.23Å; Y191-W224 AromaticContact CE2-CZ2 3.37Å; Y191-W224 HydrophobicContact CE2-CZ2 3.37Å; Y191-W224 AromaticContact CE2-NE1 3.9Å; Y191-W224 HydrophobicContact CG-CH2 4.22Å; Y191-W224 AromaticContact CG-CZ2 3.68Å; Y191-W224 HydrophobicContact CG-CZ2 3.68Å; Y191-W224 AromaticContact CZ-CE2 3.79Å; Y191-W224 AromaticContact CZ-CZ2 3.61Å; Y191-W224 AromaticContact CZ-NE1 3.49Å; Y191-W224 PolarHBondContact OH-NE1 2.83Å; Y191-I235 HydrophobicContact CD2-CG2 4.27Å
192I81.9Confident82.9Confident1 Ų119 Ų191%0.00510%0.095CC..Hα-helixtrans-63.1-39.7-179.6-64.2162.3000111.6F106 Y166 V188 I189 L194 G196 Y197 P198 L276 L279F106-I192 HydrophobicContact CE1-CB 4.49Å; F106-I192 HydrophobicContact CE1-CG2 3.56Å; F106-I192 HydrophobicContact CZ-CB 4.45Å; F106-I192 HydrophobicContact CZ-CG2 3.65Å; Y166-I192 HydrophobicContact CE1-CD1 3.63Å; V188-I192 HydrophobicContact CG1-CD1 4Å; V188-I192 WeakPolarHBondContact O-CG1 3.43Å; V188-I192 PolarHBondContact O-N 3.27Å; V188-I192 VanDerWaalsContact O-N 3.07Å; I189-I192 PolarHBondContact O-N 3.18Å; I189-I192 VanDerWaalsContact O-N 3.1Å; I192-L194 PolarHBondContact O-N 3.38Å; I192-G196 WeakPolarHBondContact O-CA 3.4Å; I192-G196 PolarHBondContact O-N 2.87Å; I192-Y197 WeakPolarHBondContact CG1-O 3.47Å; I192-P198 HydrophobicContact CD1-CB 4.43Å; I192-P198 HydrophobicContact CG1-CB 4.43Å; I192-L276 HydrophobicContact CG2-CD2 4.17Å; I192-L279 HydrophobicContact CG2-CD1 3.71Å
193L81.1Confident82.9Confident0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-64.5-29.3179.7-73.1178.6000112.6L105 F106 I109 Y115 A120 L123 I124 I189 A190 Y191L105-L193 HydrophobicContact CD2-CD2 3.91Å; L105-L193 HydrophobicContact CG-CD2 4.28Å; F106-L193 HydrophobicContact CD1-CD2 4.34Å; F106-L193 HydrophobicContact CE1-CD2 3.83Å; I109-L193 HydrophobicContact CD1-CD2 3.33Å; Y115-L193 WeakPolarHBondContact CE1-O 3.25Å; A120-L193 HydrophobicContact CB-CB 4.24Å; L123-L193 HydrophobicContact CB-CD1 4.3Å; I124-L193 HydrophobicContact CD1-CD1 3.83Å; I124-L193 HydrophobicContact CG1-CD1 3.99Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 3.87Å; I189-L193 WeakPolarHBondContact O-CB 3.14Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.42Å; I189-L193 PolarHBondContact O-N 3.3Å; A190-L193 PolarHBondContact O-N 3.26Å; Y191-L193 VanDerWaalsContact C-N 3.33Å; Y191-L193 PolarHBondContact O-N 2.98Å
194L88Confident82.5Confident1 Ų125.7 Ų25.71%0.00513%0.126CC..Hα-helixtrans-91.8-28.8-176.3-72.6177.5000114.3E117 A120 A190 Y191 I192 W224 I227 A231 I235 W257 I268 I272E117-L194 HydrophobicContact CB-CD2 4.2Å; E117-L194 HydrophobicContact CG-CD2 3.89Å; A120-L194 HydrophobicContact CB-CD2 3.66Å; A120-L194 HydrophobicContact CB-CG 4.28Å; A190-L194 WeakPolarHBondContact O-CG 3.42Å; A190-L194 PolarHBondContact O-N 3.25Å; A190-L194 VanDerWaalsContact O-N 3.14Å; Y191-L194 PolarHBondContact O-N 3.18Å; I192-L194 PolarHBondContact O-N 3.38Å; L194-W224 HydrophobicContact CB-CH2 3.92Å; L194-W224 HydrophobicContact CB-CZ3 4.25Å; L194-W224 HydrophobicContact CD1-CH2 4.25Å; L194-W224 HydrophobicContact CD1-CZ3 4.18Å; L194-I227 HydrophobicContact CD1-CG2 4.2Å; L194-A231 HydrophobicContact CD1-CB 3.75Å; L194-I235 HydrophobicContact CD1-CD1 3.86Å; L194-W257 HydrophobicContact CD1-CH2 4.28Å; L194-W257 HydrophobicContact CD1-CZ2 3.94Å; L194-W257 HydrophobicContact CD2-CZ2 4.02Å; L194-W257 HydrophobicContact CG-CZ2 4.39Å; L194-I268 HydrophobicContact CD2-CD1 4.16Å; L194-I272 VanDerWaalsContact O-CG2 3.31Å; L194-I272 WeakPolarHBondContact O-CG2 3.47Å
195C84.6Confident82.1Confident2 Ų230.4 Ų30.41%0.01415%0.151CC..Hα-helixtrans-122.9-12.1-175.973.40000114.4Y191 Y197 W224 K275Y191-C195 WeakPolarHBondContact CD1-SG 3.47Å; Y191-C195 WeakPolarHBondContact CE1-SG 3.35Å; Y191-C195 PolarHBondContact O-N 2.78Å; Y191-C195 VanDerWaalsContact O-N 3.14Å; Y191-C195 PolarHBondContact O-SG 3.34Å; C195-Y197 HydrophobicContact CB-CD1 3.86Å; C195-Y197 HydrophobicContact CB-CE1 3.56Å; C195-Y197 WeakPolarHBondContact O-CD1 3.42Å; C195-Y197 WeakPolarHBondContact SG-CD1 3.35Å; C195-Y197 WeakPolarHBondContact SG-CE1 3.5Å; C195-Y197 PolarHBondContact SG-O 3.31Å; C195-Y197 VanDerWaalsContact SG-O 3.36Å; C195-W224 HydrophobicContact CB-CZ2 3.76Å; C195-K275 VanDerWaalsContact O-CD 3.28Å; C195-K275 WeakPolarHBondContact O-CD 3.22Å
196G78.5Confident82Confident0 Ų034.6 Ų34.60%018%0.176CC..SBendtrans799.917800000115.7I192 K275 L279I192-G196 WeakPolarHBondContact O-CA 3.4Å; I192-G196 PolarHBondContact O-N 2.87Å; G196-K275 CarbonylContact O-C 3.56Å; G196-K275 VanDerWaalsContact O-CB 3.27Å; G196-K275 WeakPolarHBondContact O-CB 3.27Å; G196-L279 WeakPolarHBondContact O-CD1 3.33Å; G196-L279 WeakPolarHBondContact O-CG 3.45Å
197Y80.5Confident82.1Confident39 Ų3937.1 Ų37.115%0.15319%0.19CC..SBendtrans-137.8155.7176.767.4-87.8000111.6Y191 I192 C195 D220 Y223 W224 K275Y191-Y197 VanDerWaalsContact CD1-O 3.3Å; Y191-Y197 WeakPolarHBondContact CD1-O 2.97Å; Y191-Y197 HydrophobicContact CE1-CD2 4.01Å; Y191-Y197 AromaticContact CE1-CE2 3.7Å; Y191-Y197 HydrophobicContact CE1-CE2 3.7Å; Y191-Y197 WeakPolarHBondContact CE1-O 2.96Å; Y191-Y197 AromaticContact CZ-CE2 3.97Å; Y191-Y197 VanDerWaalsContact OH-CE2 3.26Å; Y191-Y197 WeakPolarHBondContact OH-CE2 3.47Å; Y191-Y197 PolarHBondContact OH-OH 2.87Å; I192-Y197 WeakPolarHBondContact CG1-O 3.47Å; C195-Y197 HydrophobicContact CB-CD1 3.86Å; C195-Y197 HydrophobicContact CB-CE1 3.56Å; C195-Y197 WeakPolarHBondContact O-CD1 3.42Å; C195-Y197 WeakPolarHBondContact SG-CD1 3.35Å; C195-Y197 WeakPolarHBondContact SG-CE1 3.5Å; C195-Y197 PolarHBondContact SG-O 3.31Å; C195-Y197 VanDerWaalsContact SG-O 3.36Å; Y197-D220 PolarHBondContact OH-OD2 3.13Å; Y197-Y223 AromaticContact CE1-CD2 3.58Å; Y197-Y223 HydrophobicContact CE1-CD2 3.58Å; Y197-Y223 HydrophobicContact CE1-CE2 4.33Å; Y197-Y223 AromaticContact CE1-CG 3.85Å; Y197-Y223 HydrophobicContact CE1-CG 3.85Å; Y197-Y223 AromaticContact CZ-CD2 3.83Å; Y197-W224 AromaticContact CZ-NE1 3.86Å; Y197-W224 PolarHBondContact OH-NE1 3.02Å; Y197-K275 HydrophobicContact CD1-CD 4.16Å
198P82.3Confident81.7Confident37 Ų3737.8 Ų37.824%0.2419%0.193CC..  trans-72.2146.617929.7-36.4000112I192 F200I192-P198 HydrophobicContact CD1-CB 4.43Å; I192-P198 HydrophobicContact CG1-CB 4.43Å; P198-F200 VanDerWaalsContact C-N 3.27Å; P198-F200 PolarHBondContact O-N 3.49Å
199P84.2Confident81.6Confident14 Ų1441.7 Ų41.79%0.09121%0.21CC..SBendtrans-67.3-27.1178.724.7-32000113.6V188 Y191 Y217 M239V188-P199 HydrophobicContact CB-CG 4.43Å; V188-P199 HydrophobicContact CG1-CG 4.02Å; V188-P199 HydrophobicContact CG2-CG 4.23Å; Y191-P199 HydrophobicContact CD1-CB 3.75Å; Y191-P199 HydrophobicContact CD1-CG 4.11Å; Y191-P199 HydrophobicContact CD2-CB 3.81Å; Y191-P199 HydrophobicContact CE1-CB 3.89Å; Y191-P199 HydrophobicContact CE2-CB 3.95Å; Y191-P199 HydrophobicContact CG-CB 3.73Å; Y191-P199 HydrophobicContact CG-CG 4.06Å; P199-Y217 HydrophobicContact CB-CG 4.37Å; P199-M239 HydrophobicContact CB-CE 3.83Å; P199-M239 HydrophobicContact CG-CE 3.72Å; P199-M239 HydrophobicContact CG-SD 4.29Å
200F86Confident82Confident6 Ų642.8 Ų42.83%0.02622%0.22CC..  trans-118.7127.4179-49.9-73.9000109.9W184 V188 P198 L208 Q211 I212 Y217 M239W184-F200 HydrophobicContact CH2-CE2 4.18Å; W184-F200 AromaticContact CH2-CZ 3.8Å; W184-F200 HydrophobicContact CH2-CZ 3.8Å; W184-F200 AromaticContact CZ2-CE2 3.44Å; W184-F200 HydrophobicContact CZ2-CE2 3.44Å; W184-F200 VanDerWaalsContact CZ2-CE2 3.44Å; W184-F200 AromaticContact CZ2-CZ 3.54Å; W184-F200 HydrophobicContact CZ2-CZ 3.54Å; V188-F200 HydrophobicContact CG2-CE2 4.49Å; P198-F200 VanDerWaalsContact C-N 3.27Å; P198-F200 PolarHBondContact O-N 3.49Å; F200-L208 HydrophobicContact CB-CD1 3.68Å; F200-Q211 HydrophobicContact CD1-CB 4.14Å; F200-I212 HydrophobicContact CB-CG1 3.9Å; F200-I212 HydrophobicContact CD1-CG1 4.11Å; F200-I212 HydrophobicContact CD2-CG1 3.76Å; F200-I212 HydrophobicContact CE2-CG1 4.32Å; F200-I212 HydrophobicContact CG-CG1 3.64Å; F200-Y217 HydrophobicContact CE1-CD1 4Å; F200-Y217 HydrophobicContact CE1-CG 4.35Å; F200-Y217 AromaticContact CZ-CD1 3.87Å; F200-Y217 HydrophobicContact CZ-CD1 3.87Å; F200-Y217 HydrophobicContact CZ-CG 4.39Å; F200-M239 HydrophobicContact CD2-CE 4.4Å; F200-M239 HydrophobicContact CE2-CE 3.3Å; F200-M239 HydrophobicContact CZ-CE 3.41Å; F200-M239 VanDerWaalsContact CZ-CE 3.41Å
201Y79.2Confident82.1Confident106 Ų10645 Ų4542%0.41623%0.231SC..  trans-151.2123.6178.5-178.7-95.2000110.4E203 Q211 R282Y201-E203 HydrophobicContact CE1-CG 4.48Å; Y201-Q211 PolarHBondContact O-OE1 3.31Å; Y201-R282 VanDerWaalsContact CE2-NH1 3.32Å; Y201-R282 PolarHBondContact OH-NH1 3.05Å; Y201-R282 PolarHBondContact OH-NH2 2.74Å
202D78.1Confident82Confident46 Ų4645 Ų4525%0.24623%0.231CC..  trans-147.6152165.8-160-67000107.6N204 N207 L208D202-N204 VanDerWaalsContact C-N 3.26Å; D202-N204 WeakPolarHBondContact OD1-CB 3.32Å; D202-N204 PolarHBondContact OD1-N 2.81Å; D202-N207 HydrophobicContact CB-CB 3.97Å; D202-N207 WeakPolarHBondContact OD2-CB 2.83Å; D202-N207 PolarHBondContact OD2-ND2 3.2Å; D202-L208 HydrophobicContact CB-CB 4.06Å
203E75.7Confident82.2Confident161 Ų16148.4 Ų48.475%0.75225%0.248SC*.SBendtrans-76.4-22174.6-61.4-169.3161.300111.6Y201Y201-E203 HydrophobicContact CE1-CG 4.48Å
204N78Confident82.8Confident79 Ų7956.8 Ų56.842%0.42228%0.279SS..SBendtrans-99.8116.9175.5-172.3-32.9000110.4D202 V206 N207 L208D202-N204 VanDerWaalsContact C-N 3.26Å; D202-N204 WeakPolarHBondContact OD1-CB 3.32Å; D202-N204 PolarHBondContact OD1-N 2.81Å; N204-V206 PolarHBondContact O-N 3.07Å; N204-V206 VanDerWaalsContact O-N 3.13Å; N204-V206 VanDerWaalsContact OD1-CB 3.26Å; N204-V206 WeakPolarHBondContact OD1-CB 3.37Å; N204-V206 WeakPolarHBondContact OD1-CG2 3.4Å; N204-V206 PolarHBondContact OD1-N 3.28Å; N204-N207 HydrophobicContact CB-CB 4.32Å; N204-N207 PolarHBondContact O-N 3.28Å; N204-L208 PolarHBondContact O-N 3.36Å
205D77.5Confident83Confident99 Ų9957.5 Ų57.553%0.52929%0.287SS..Hα-helixtrans-55.7-32179.1-71.1-26.3000113L208 F209D205-L208 PolarHBondContact O-N 3.46Å; D205-F209 HydrophobicContact CB-CE1 4.46Å; D205-F209 HydrophobicContact CB-CZ 4.37Å; D205-F209 WeakPolarHBondContact O-CB 3.14Å; D205-F209 WeakPolarHBondContact O-CD1 3.29Å; D205-F209 WeakPolarHBondContact O-CG 3.2Å; D205-F209 PolarHBondContact O-N 3.33Å
206V79.3Confident83.4Confident105 Ų10562.3 Ų62.364%0.63631%0.309SS*.Hα-helixtrans-65.3-43.3178-1790000110.9N204 A210N204-V206 PolarHBondContact O-N 3.07Å; N204-V206 VanDerWaalsContact O-N 3.13Å; N204-V206 VanDerWaalsContact OD1-CB 3.26Å; N204-V206 WeakPolarHBondContact OD1-CB 3.37Å; N204-V206 WeakPolarHBondContact OD1-CG2 3.4Å; N204-V206 PolarHBondContact OD1-N 3.28Å; V206-A210 WeakPolarHBondContact O-CB 3.31Å; V206-A210 PolarHBondContact O-N 2.96Å
207N85.5Confident84.1Confident75 Ų7564.3 Ų64.340%0.40132%0.317SS..Hα-helixtrans-71.4-41.8177.7-69.1-12.1000111D202 N204 F209 A210 Q211D202-N207 HydrophobicContact CB-CB 3.97Å; D202-N207 WeakPolarHBondContact OD2-CB 2.83Å; D202-N207 PolarHBondContact OD2-ND2 3.2Å; N204-N207 HydrophobicContact CB-CB 4.32Å; N204-N207 PolarHBondContact O-N 3.28Å; N207-F209 VanDerWaalsContact C-N 3.28Å; N207-F209 PolarHBondContact O-N 3.44Å; N207-A210 WeakPolarHBondContact O-CB 3.46Å; N207-A210 PolarHBondContact O-N 3.25Å; N207-A210 VanDerWaalsContact O-N 3.11Å; N207-Q211 WeakPolarHBondContact O-CG 2.97Å; N207-Q211 PolarHBondContact O-N 3.09Å
208L78.9Confident84.7Confident13 Ų1368.9 Ų68.97%0.06834%0.34CS..Hα-helixtrans-55.1-46.6174177.262.5000110.8P164 F200 D202 N204 D205 Q211 I212P164-L208 HydrophobicContact CB-CD2 4.48Å; P164-L208 HydrophobicContact CG-CD2 3.92Å; F200-L208 HydrophobicContact CB-CD1 3.68Å; D202-L208 HydrophobicContact CB-CB 4.06Å; N204-L208 PolarHBondContact O-N 3.36Å; D205-L208 PolarHBondContact O-N 3.46Å; L208-Q211 PolarHBondContact O-N 3.25Å; L208-I212 HydrophobicContact CD1-CD1 4.09Å; L208-I212 HydrophobicContact CG-CD1 3.97Å; L208-I212 WeakPolarHBondContact O-CD1 3.42Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.35Å
209F81.3Confident85.2Confident83 Ų8370 Ų7036%0.36434%0.341SS..Hα-helixtrans-66.4-39.2178.1-66.2-0.7000111.4P164 L172 D205 N207 I212 M213P164-F209 HydrophobicContact CB-CD1 4.17Å; P164-F209 HydrophobicContact CB-CE1 3.42Å; P164-F209 VanDerWaalsContact CB-CE1 3.42Å; P164-F209 HydrophobicContact CB-CZ 4.26Å; P164-F209 HydrophobicContact CG-CE1 3.86Å; L172-F209 HydrophobicContact CD1-CD1 4.3Å; L172-F209 HydrophobicContact CD1-CG 4.44Å; D205-F209 HydrophobicContact CB-CE1 4.46Å; D205-F209 HydrophobicContact CB-CZ 4.37Å; D205-F209 WeakPolarHBondContact O-CB 3.14Å; D205-F209 WeakPolarHBondContact O-CD1 3.29Å; D205-F209 WeakPolarHBondContact O-CG 3.2Å; D205-F209 PolarHBondContact O-N 3.33Å; N207-F209 VanDerWaalsContact C-N 3.28Å; N207-F209 PolarHBondContact O-N 3.44Å; F209-I212 PolarHBondContact O-N 2.84Å; F209-M213 WeakPolarHBondContact O-CB 3.01Å; F209-M213 WeakPolarHBondContact O-CG 3.22Å; F209-M213 PolarHBondContact O-N 2.84Å
210A88.5Confident85.4Confident31 Ų3172 Ų7226%0.25635%0.351SS..Hα-helixtrans-62.1-41.9175.400000112.6V206 N207 M213 R214V206-A210 WeakPolarHBondContact O-CB 3.31Å; V206-A210 PolarHBondContact O-N 2.96Å; N207-A210 WeakPolarHBondContact O-CB 3.46Å; N207-A210 PolarHBondContact O-N 3.25Å; N207-A210 VanDerWaalsContact O-N 3.11Å; A210-M213 PolarHBondContact O-N 2.67Å; A210-R214 WeakPolarHBondContact O-CG 3.48Å; A210-R214 PolarHBondContact O-N 2.81Å; A210-R214 VanDerWaalsContact O-N 3.08Å
211Q88Confident85.4Confident47 Ų4775.9 Ų75.922%0.2238%0.379CS..Hα-helixtrans-61-50174.9-73.2174-800111.1F200 Y201 N207 L208 M213 R214 G215 E216F200-Q211 HydrophobicContact CD1-CB 4.14Å; Y201-Q211 PolarHBondContact O-OE1 3.31Å; N207-Q211 WeakPolarHBondContact O-CG 2.97Å; N207-Q211 PolarHBondContact O-N 3.09Å; L208-Q211 PolarHBondContact O-N 3.25Å; Q211-M213 VanDerWaalsContact C-N 3.34Å; Q211-M213 PolarHBondContact O-N 3.18Å; Q211-R214 PolarHBondContact O-N 2.77Å; Q211-G215 PolarHBondContact O-N 3.05Å; Q211-E216 PolarHBondContact O-N 3.29Å
212I83.9Confident85.9Confident0 Ų075 Ų750%039%0.386CS..Hα-helixtrans-58.8-48.2177.9-64.9162.3000110P164 V167 P169 L172 W184 F200 L208 F209 R214 G215P164-I212 WeakPolarHBondContact O-CD1 3.48Å; V167-I212 WeakPolarHBondContact O-CG2 3.26Å; P169-I212 HydrophobicContact CG-CG2 4.29Å; P169-I212 WeakPolarHBondContact CG-O 3.28Å; L172-I212 HydrophobicContact CD1-CB 3.93Å; L172-I212 HydrophobicContact CD1-CD1 3.98Å; L172-I212 HydrophobicContact CD1-CG2 3.56Å; W184-I212 HydrophobicContact CZ2-CG2 4.03Å; F200-I212 HydrophobicContact CB-CG1 3.9Å; F200-I212 HydrophobicContact CD1-CG1 4.11Å; F200-I212 HydrophobicContact CD2-CG1 3.76Å; F200-I212 HydrophobicContact CE2-CG1 4.32Å; F200-I212 HydrophobicContact CG-CG1 3.64Å; L208-I212 HydrophobicContact CD1-CD1 4.09Å; L208-I212 HydrophobicContact CG-CD1 3.97Å; L208-I212 WeakPolarHBondContact O-CD1 3.42Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.35Å; F209-I212 PolarHBondContact O-N 2.84Å; I212-R214 PolarHBondContact O-N 3.41Å; I212-G215 PolarHBondContact O-N 2.94Å
213M87.1Confident86.2Confident73 Ų7377.9 Ų77.936%0.3640%0.395SS..Hα-helixtrans-59.4-29.7-179.8-78.9-63.6-64.900113.9P169 L172 A173 F209 A210 Q211P169-M213 HydrophobicContact CB-SD 4.17Å; L172-M213 HydrophobicContact CB-SD 4.02Å; A173-M213 HydrophobicContact CB-CE 3.54Å; A173-M213 HydrophobicContact CB-SD 3.89Å; F209-M213 WeakPolarHBondContact O-CB 3.01Å; F209-M213 WeakPolarHBondContact O-CG 3.22Å; F209-M213 PolarHBondContact O-N 2.84Å; A210-M213 PolarHBondContact O-N 2.67Å; Q211-M213 VanDerWaalsContact C-N 3.34Å; Q211-M213 PolarHBondContact O-N 3.18Å
214R94.1Very high87Confident175 Ų17570.3 Ų70.366%0.6636%0.359SS*.Hα-helixtrans-91.2-12176.1-68.7176.2-169.7152.23.5113.4A210 Q211 I212 E216A210-R214 WeakPolarHBondContact O-CG 3.48Å; A210-R214 PolarHBondContact O-N 2.81Å; A210-R214 VanDerWaalsContact O-N 3.08Å; Q211-R214 PolarHBondContact O-N 2.77Å; I212-R214 PolarHBondContact O-N 3.41Å; R214-E216 HydrophobicContact CB-CB 4.13Å; R214-E216 IonicContact NH1-OE2 3.81Å
215G92.8Very high87.6Confident17 Ų1771.1 Ų71.118%0.17536%0.363CS..THydrogen-bonded Turntrans62.335.6-168.400000112Q211 I212 Y217 V241Q211-G215 PolarHBondContact O-N 3.05Å; I212-G215 PolarHBondContact O-N 2.94Å; G215-Y217 WeakPolarHBondContact O-CD1 3.41Å; G215-Y217 PolarHBondContact O-N 3.05Å; G215-V241 VanDerWaalsContact CA-CG2 3.43Å
216E92.6Very high88.2Confident102 Ų10270.7 Ų70.748%0.47736%0.361SS..  trans-86.590.3-176.9-168.2173.4179.800109.2Q211 R214Q211-E216 PolarHBondContact O-N 3.29Å; R214-E216 HydrophobicContact CB-CB 4.13Å; R214-E216 IonicContact NH1-OE2 3.81Å
217Y93.1Very high88.9Confident42 Ų4266 Ų6617%0.16533%0.332CS..  trans-137.2155.317267.7-83.1000109.2Y191 P199 F200 G215 F219 I235 S236 M239Y191-Y217 HydrophobicContact CD2-CD2 4.33Å; Y191-Y217 AromaticContact CE2-CD2 3.98Å; Y191-Y217 HydrophobicContact CE2-CD2 3.98Å; P199-Y217 HydrophobicContact CB-CG 4.37Å; F200-Y217 HydrophobicContact CE1-CD1 4Å; F200-Y217 HydrophobicContact CE1-CG 4.35Å; F200-Y217 AromaticContact CZ-CD1 3.87Å; F200-Y217 HydrophobicContact CZ-CD1 3.87Å; F200-Y217 HydrophobicContact CZ-CG 4.39Å; G215-Y217 WeakPolarHBondContact O-CD1 3.41Å; G215-Y217 PolarHBondContact O-N 3.05Å; Y217-F219 HydrophobicContact CE2-CE1 4.05Å; Y217-F219 HydrophobicContact CE2-CE2 4.2Å; Y217-F219 AromaticContact CE2-CZ 3.74Å; Y217-F219 HydrophobicContact CE2-CZ 3.74Å; Y217-I235 HydrophobicContact CE2-CG2 4.33Å; Y217-S236 WeakPolarHBondContact OH-CA 3.34Å; Y217-M239 HydrophobicContact CD1-CE 3.8Å; Y217-M239 HydrophobicContact CE1-CB 3.9Å; Y217-M239 HydrophobicContact CE1-CE 3.92Å; Y217-M239 HydrophobicContact CG-CE 4.12Å
218E92.3Very high89.4Confident136 Ų13663.2 Ų63.264%0.63632%0.319SS*.  trans-125.6156-178.9-65.3-172.9-177.400110.9Y191 D220Y191-E218 PolarHBondContact OH-O 2.96Å; E218-D220 WeakPolarHBondContact CB-OD1 3.43Å; E218-D220 PolarHBondContact O-N 3.17Å
219F93.8Very high90.2Very high59 Ų5968.5 Ų68.526%0.25935%0.347SS..  trans-94.273.9170-62.4-62.8000108.2Y191 Y217 W224 K232 I235Y191-F219 HydrophobicContact CD2-CD1 4.45Å; Y191-F219 HydrophobicContact CD2-CE1 4.15Å; Y191-F219 AromaticContact CE2-CD1 3.96Å; Y191-F219 HydrophobicContact CE2-CD1 3.96Å; Y191-F219 HydrophobicContact CE2-CE1 4.07Å; Y217-F219 HydrophobicContact CE2-CE1 4.05Å; Y217-F219 HydrophobicContact CE2-CE2 4.2Å; Y217-F219 AromaticContact CE2-CZ 3.74Å; Y217-F219 HydrophobicContact CE2-CZ 3.74Å; F219-W224 VanDerWaalsContact C-CD1 3.43Å; F219-W224 HydrophobicContact CB-CB 3.85Å; F219-W224 HydrophobicContact CB-CD2 4.02Å; F219-W224 HydrophobicContact CB-CE3 4.44Å; F219-W224 HydrophobicContact CB-CG 3.73Å; F219-W224 AromaticContact CD1-CD2 3.55Å; F219-W224 HydrophobicContact CD1-CD2 3.55Å; F219-W224 AromaticContact CD1-CE2 3.71Å; F219-W224 AromaticContact CD1-CE3 3.55Å; F219-W224 HydrophobicContact CD1-CE3 3.55Å; F219-W224 HydrophobicContact CD1-CG 4.18Å; F219-W224 AromaticContact CD1-CH2 3.96Å; F219-W224 HydrophobicContact CD1-CH2 3.96Å; F219-W224 AromaticContact CD1-CZ2 3.94Å; F219-W224 HydrophobicContact CD1-CZ2 3.94Å; F219-W224 AromaticContact CD1-CZ3 3.75Å; F219-W224 HydrophobicContact CD1-CZ3 3.75Å; F219-W224 HydrophobicContact CE1-CD2 4.48Å; F219-W224 HydrophobicContact CE1-CE3 4.17Å; F219-W224 AromaticContact CE1-CH2 3.99Å; F219-W224 HydrophobicContact CE1-CH2 3.99Å; F219-W224 HydrophobicContact CE1-CZ2 4.28Å; F219-W224 AromaticContact CE1-CZ3 3.9Å; F219-W224 HydrophobicContact CE1-CZ3 3.9Å; F219-W224 HydrophobicContact CG-CD2 4.22Å; F219-W224 HydrophobicContact CG-CE3 4.31Å; F219-W224 HydrophobicContact CG-CG 4.44Å; F219-K232 HydrophobicContact CB-CD 4.41Å; F219-K232 HydrophobicContact CD1-CG 4.05Å; F219-K232 HydrophobicContact CD2-CB 4.16Å; F219-K232 HydrophobicContact CD2-CD 4.31Å; F219-K232 HydrophobicContact CD2-CG 4.17Å; F219-K232 HydrophobicContact CE1-CB 4.22Å; F219-K232 HydrophobicContact CE1-CG 4.16Å; F219-K232 HydrophobicContact CE2-CB 3.85Å; F219-K232 HydrophobicContact CE2-CG 4.3Å; F219-K232 HydrophobicContact CG-CB 4.48Å; F219-K232 HydrophobicContact CG-CD 4.24Å; F219-K232 HydrophobicContact CG-CG 4.04Å; F219-K232 HydrophobicContact CZ-CB 3.87Å; F219-K232 HydrophobicContact CZ-CG 4.28Å; F219-K232 WeakPolarHBondContact CZ-O 3.47Å; F219-I235 HydrophobicContact CE1-CB 4.34Å; F219-I235 HydrophobicContact CE1-CD1 4.5Å; F219-I235 HydrophobicContact CE1-CG2 4.07Å; F219-I235 HydrophobicContact CZ-CB 4.28Å; F219-I235 HydrophobicContact CZ-CG2 4.12Å
220D87.7Confident91Very high57 Ų5765.7 Ų65.731%0.30534%0.338SS..  trans-63.9134.8-168-47.9-71.7000113.6Y197 E218 Y223 W224Y197-D220 PolarHBondContact OH-OD2 3.13Å; E218-D220 WeakPolarHBondContact CB-OD1 3.43Å; E218-D220 PolarHBondContact O-N 3.17Å; D220-Y223 HydrophobicContact CB-CD2 4.13Å; D220-Y223 PolarHBondContact O-N 3.05Å; D220-W224 VanDerWaalsContact N-CD1 3.34Å; D220-W224 PolarHBondContact O-N 3.26Å; D220-W224 VanDerWaalsContact O-N 3.12Å
221S86.8Confident91.3Very high87 Ų8764.2 Ų64.261%0.60833%0.326SS*.THydrogen-bonded Turntrans-70.4146.7162.8-64.70000110.9Y223 D225S221-Y223 VanDerWaalsContact C-N 3.33Å; S221-D225 WeakPolarHBondContact CA-OD1 3.44Å; S221-D225 VanDerWaalsContact CB-OD1 3.26Å; S221-D225 WeakPolarHBondContact CB-OD1 3.32Å; S221-D225 PolarHBondContact OG-OD1 3.14Å
222P88.2Confident91.8Very high88 Ų8863.8 Ų63.857%0.57132%0.323SS*.THydrogen-bonded Turncis-88.16.41.636-36000113.6W224 D225P222-W224 PolarHBondContact O-N 3.25Å; P222-D225 WeakPolarHBondContact CA-OD2 3.19Å
223Y84.7Confident92.5Very high107 Ų10767.3 Ų67.342%0.4234%0.342SS..THydrogen-bonded Turntrans-76.2-28.9-164-47.1-54.9000113.5Y197 D220 S221Y197-Y223 AromaticContact CE1-CD2 3.58Å; Y197-Y223 HydrophobicContact CE1-CD2 3.58Å; Y197-Y223 HydrophobicContact CE1-CE2 4.33Å; Y197-Y223 AromaticContact CE1-CG 3.85Å; Y197-Y223 HydrophobicContact CE1-CG 3.85Å; Y197-Y223 AromaticContact CZ-CD2 3.83Å; D220-Y223 HydrophobicContact CB-CD2 4.13Å; D220-Y223 PolarHBondContact O-N 3.05Å; S221-Y223 VanDerWaalsContact C-N 3.33Å
224W92.5Very high93Very high1 Ų164 Ų640%0.00433%0.325CS..THydrogen-bonded Turntrans-103.11-178.9-73.991.8000113.4Y191 L194 C195 Y197 F219 D220 P222 D226 I227 K232 I235Y191-W224 AromaticContact CD1-CZ2 3.92Å; Y191-W224 HydrophobicContact CD1-CZ2 3.92Å; Y191-W224 AromaticContact CD2-CH2 3.92Å; Y191-W224 HydrophobicContact CD2-CH2 3.92Å; Y191-W224 AromaticContact CD2-CZ2 3.4Å; Y191-W224 HydrophobicContact CD2-CZ2 3.4Å; Y191-W224 VanDerWaalsContact CD2-CZ2 3.4Å; Y191-W224 AromaticContact CE1-CZ2 3.88Å; Y191-W224 HydrophobicContact CE1-CZ2 3.88Å; Y191-W224 AromaticContact CE2-CE2 3.78Å; Y191-W224 HydrophobicContact CE2-CH2 4.23Å; Y191-W224 AromaticContact CE2-CZ2 3.37Å; Y191-W224 HydrophobicContact CE2-CZ2 3.37Å; Y191-W224 AromaticContact CE2-NE1 3.9Å; Y191-W224 HydrophobicContact CG-CH2 4.22Å; Y191-W224 AromaticContact CG-CZ2 3.68Å; Y191-W224 HydrophobicContact CG-CZ2 3.68Å; Y191-W224 AromaticContact CZ-CE2 3.79Å; Y191-W224 AromaticContact CZ-CZ2 3.61Å; Y191-W224 AromaticContact CZ-NE1 3.49Å; Y191-W224 PolarHBondContact OH-NE1 2.83Å; L194-W224 HydrophobicContact CB-CH2 3.92Å; L194-W224 HydrophobicContact CB-CZ3 4.25Å; L194-W224 HydrophobicContact CD1-CH2 4.25Å; L194-W224 HydrophobicContact CD1-CZ3 4.18Å; C195-W224 HydrophobicContact CB-CZ2 3.76Å; Y197-W224 AromaticContact CZ-NE1 3.86Å; Y197-W224 PolarHBondContact OH-NE1 3.02Å; F219-W224 VanDerWaalsContact C-CD1 3.43Å; F219-W224 HydrophobicContact CB-CB 3.85Å; F219-W224 HydrophobicContact CB-CD2 4.02Å; F219-W224 HydrophobicContact CB-CE3 4.44Å; F219-W224 HydrophobicContact CB-CG 3.73Å; F219-W224 AromaticContact CD1-CD2 3.55Å; F219-W224 HydrophobicContact CD1-CD2 3.55Å; F219-W224 AromaticContact CD1-CE2 3.71Å; F219-W224 AromaticContact CD1-CE3 3.55Å; F219-W224 HydrophobicContact CD1-CE3 3.55Å; F219-W224 HydrophobicContact CD1-CG 4.18Å; F219-W224 AromaticContact CD1-CH2 3.96Å; F219-W224 HydrophobicContact CD1-CH2 3.96Å; F219-W224 AromaticContact CD1-CZ2 3.94Å; F219-W224 HydrophobicContact CD1-CZ2 3.94Å; F219-W224 AromaticContact CD1-CZ3 3.75Å; F219-W224 HydrophobicContact CD1-CZ3 3.75Å; F219-W224 HydrophobicContact CE1-CD2 4.48Å; F219-W224 HydrophobicContact CE1-CE3 4.17Å; F219-W224 AromaticContact CE1-CH2 3.99Å; F219-W224 HydrophobicContact CE1-CH2 3.99Å; F219-W224 HydrophobicContact CE1-CZ2 4.28Å; F219-W224 AromaticContact CE1-CZ3 3.9Å; F219-W224 HydrophobicContact CE1-CZ3 3.9Å; F219-W224 HydrophobicContact CG-CD2 4.22Å; F219-W224 HydrophobicContact CG-CE3 4.31Å; F219-W224 HydrophobicContact CG-CG 4.44Å; D220-W224 VanDerWaalsContact N-CD1 3.34Å; D220-W224 PolarHBondContact O-N 3.26Å; D220-W224 VanDerWaalsContact O-N 3.12Å; P222-W224 PolarHBondContact O-N 3.25Å; W224-D226 VanDerWaalsContact C-N 3.26Å; W224-D226 PolarHBondContact O-N 3.27Å; W224-I227 HydrophobicContact CE3-CB 3.77Å; W224-I227 HydrophobicContact CE3-CG1 4.07Å; W224-I227 HydrophobicContact CE3-CG2 3.64Å; W224-I227 HydrophobicContact CZ3-CB 4.28Å; W224-I227 HydrophobicContact CZ3-CG2 3.65Å; W224-I227 PolarHBondContact O-N 2.74Å; W224-K232 HydrophobicContact CE3-CD 4.49Å; W224-K232 HydrophobicContact CE3-CG 3.81Å; W224-K232 HydrophobicContact CZ3-CG 4.1Å; W224-K232 WeakPolarHBondContact O-CE 3.32Å; W224-K232 PolarHBondContact O-NZ 2.87Å; W224-I235 HydrophobicContact CH2-CD1 3.45Å; W224-I235 VanDerWaalsContact CH2-CD1 3.45Å; W224-I235 HydrophobicContact CZ3-CD1 3.92Å
225D91.3Very high93.1Very high97 Ų9755.6 Ų55.652%0.51929%0.294SS..THydrogen-bonded Turntrans-64.3-35.5-178.8-66.83000111.3S221 P222S221-D225 WeakPolarHBondContact CA-OD1 3.44Å; S221-D225 VanDerWaalsContact CB-OD1 3.26Å; S221-D225 WeakPolarHBondContact CB-OD1 3.32Å; S221-D225 PolarHBondContact OG-OD1 3.14Å; P222-D225 WeakPolarHBondContact CA-OD2 3.19Å
226D90.3Very high93.3Very high89 Ų8957 Ų5748%0.47630%0.3SS..THydrogen-bonded Turntrans-93.2-0.2-179.3-82-26.7000114.1W224 K266W224-D226 VanDerWaalsContact C-N 3.26Å; W224-D226 PolarHBondContact O-N 3.27Å; D226-K266 IonicContact OD1-NZ 2.66Å; D226-K266 PolarHBondContact OD1-NZ 2.97Å; D226-K266 IonicContact OD2-NZ 2.84Å; D226-K266 PolarHBondContact OD2-NZ 3.39Å
227I94Very high93.5Very high7 Ų754.4 Ų54.44%0.03629%0.289CS..SBendtrans-97.2134179.6-55.6-59.7000109.5E117 L194 W224 A231 K232 I268E117-I227 HydrophobicContact CG-CD1 4.39Å; E117-I227 WeakPolarHBondContact OE1-CA 3.18Å; L194-I227 HydrophobicContact CD1-CG2 4.2Å; W224-I227 HydrophobicContact CE3-CB 3.77Å; W224-I227 HydrophobicContact CE3-CG1 4.07Å; W224-I227 HydrophobicContact CE3-CG2 3.64Å; W224-I227 HydrophobicContact CZ3-CB 4.28Å; W224-I227 HydrophobicContact CZ3-CG2 3.65Å; W224-I227 PolarHBondContact O-N 2.74Å; I227-A231 HydrophobicContact CG2-CB 3.73Å; I227-K232 WeakPolarHBondContact O-CE 3.47Å; I227-K232 PolarHBondContact O-NZ 3.34Å; I227-K232 VanDerWaalsContact O-NZ 3.15Å; I227-I268 HydrophobicContact CD1-CD1 3.89Å; I227-I268 HydrophobicContact CD1-CG2 3.92Å
228S95.5Very high93.6Very high16 Ų1652.5 Ų52.511%0.11228%0.281CS..  trans-61.4146.5-175.770.40000112.9E117 S230 A231 K232E117-S228 PolarHBondContact OE1-N 2.81Å; E117-S228 WeakPolarHBondContact OE2-CB 3.36Å; E117-S228 PolarHBondContact OE2-OG 3.37Å; S228-S230 PolarHBondContact O-N 3.44Å; S228-A231 WeakPolarHBondContact O-CB 3.27Å; S228-A231 PolarHBondContact O-N 2.76Å; S228-A231 WeakPolarHBondContact OG-CB 3.31Å; S228-A231 PolarHBondContact OG-N 3.46Å; S228-A231 VanDerWaalsContact OG-N 3.11Å; S228-K232 PolarHBondContact O-N 3.13Å; S228-K232 VanDerWaalsContact O-N 3.14Å
229D96.3Very high93.7Very high124 Ų12446.2 Ų46.266%0.66325%0.252SS*.Hα-helixtrans-62-27172.3-64.2-29.6000111.6K232 D233D229-K232 PolarHBondContact O-N 2.83Å; D229-K232 IonicContact OD1-NZ 2.68Å; D229-D233 VanDerWaalsContact O-CB 3.22Å; D229-D233 WeakPolarHBondContact O-CB 3.39Å; D229-D233 PolarHBondContact O-N 3.31Å
230S97.1Very high93.8Very high25 Ų2545 Ų4518%0.17525%0.25CS..Hα-helixtrans-66.4-38173.7-163.20000112.2S228 F234 H255 T262S228-S230 PolarHBondContact O-N 3.44Å; S230-F234 WeakPolarHBondContact O-CB 3.41Å; S230-F234 PolarHBondContact O-N 3.22Å; S230-H255 PolarHBondContact O-CE1 3.33Å; S230-H255 VanDerWaalsContact O-CE1 3.28Å; S230-T262 WeakPolarHBondContact CB-OG1 3.46Å; S230-T262 PolarHBondContact OG-OG1 2.99Å
231A96.2Very high94.1Very high0 Ų044.9 Ų44.90%025%0.251CS..Hα-helixtrans-67.6-42.1174.400000111.9L194 I227 S228 F234 I235 W257L194-A231 HydrophobicContact CD1-CB 3.75Å; I227-A231 HydrophobicContact CG2-CB 3.73Å; S228-A231 WeakPolarHBondContact O-CB 3.27Å; S228-A231 PolarHBondContact O-N 2.76Å; S228-A231 WeakPolarHBondContact OG-CB 3.31Å; S228-A231 PolarHBondContact OG-N 3.46Å; S228-A231 VanDerWaalsContact OG-N 3.11Å; A231-F234 WeakPolarHBondContact O-CB 3.22Å; A231-F234 PolarHBondContact O-N 3.17Å; A231-I235 WeakPolarHBondContact O-CG1 3.29Å; A231-I235 PolarHBondContact O-N 2.62Å; A231-W257 HydrophobicContact CB-CD2 4.26Å; A231-W257 HydrophobicContact CB-CG 4.21Å; A231-W257 HydrophobicContact CB-CZ2 4.32Å; A231-W257 VanDerWaalsContact CB-NE1 3.27Å
232K97.8Very high94.5Very high38 Ų3843.2 Ų43.217%0.16524%0.236CC..Hα-helixtrans-63.4-42.9176.2-64.5171.2-167.7164.20111.4F219 W224 I227 S228 D229 I235 S236F219-K232 HydrophobicContact CB-CD 4.41Å; F219-K232 HydrophobicContact CD1-CG 4.05Å; F219-K232 HydrophobicContact CD2-CB 4.16Å; F219-K232 HydrophobicContact CD2-CD 4.31Å; F219-K232 HydrophobicContact CD2-CG 4.17Å; F219-K232 HydrophobicContact CE1-CB 4.22Å; F219-K232 HydrophobicContact CE1-CG 4.16Å; F219-K232 HydrophobicContact CE2-CB 3.85Å; F219-K232 HydrophobicContact CE2-CG 4.3Å; F219-K232 HydrophobicContact CG-CB 4.48Å; F219-K232 HydrophobicContact CG-CD 4.24Å; F219-K232 HydrophobicContact CG-CG 4.04Å; F219-K232 HydrophobicContact CZ-CB 3.87Å; F219-K232 HydrophobicContact CZ-CG 4.28Å; F219-K232 WeakPolarHBondContact CZ-O 3.47Å; W224-K232 HydrophobicContact CE3-CD 4.49Å; W224-K232 HydrophobicContact CE3-CG 3.81Å; W224-K232 HydrophobicContact CZ3-CG 4.1Å; W224-K232 WeakPolarHBondContact O-CE 3.32Å; W224-K232 PolarHBondContact O-NZ 2.87Å; I227-K232 WeakPolarHBondContact O-CE 3.47Å; I227-K232 PolarHBondContact O-NZ 3.34Å; I227-K232 VanDerWaalsContact O-NZ 3.15Å; S228-K232 PolarHBondContact O-N 3.13Å; S228-K232 VanDerWaalsContact O-N 3.14Å; D229-K232 PolarHBondContact O-N 2.83Å; D229-K232 IonicContact OD1-NZ 2.68Å; K232-I235 PolarHBondContact O-N 2.88Å; K232-S236 WeakPolarHBondContact O-CB 3.18Å; K232-S236 PolarHBondContact O-N 3.32Å; K232-S236 PolarHBondContact O-OG 3.35Å
233D97.9Very high94.7Very high74 Ų7441.2 Ų41.240%0.39622%0.223SC..Hα-helixtrans-63.1-43.7176.2-17362.6000111.3D229 I235 S236 H237 H255D229-D233 VanDerWaalsContact O-CB 3.22Å; D229-D233 WeakPolarHBondContact O-CB 3.39Å; D229-D233 PolarHBondContact O-N 3.31Å; D233-I235 PolarHBondContact O-N 3.04Å; D233-S236 PolarHBondContact O-N 2.9Å; D233-H237 PolarHBondContact O-N 3.34Å; D233-H237 PolarHBondContact O-ND1 2.77Å; D233-H237 IonicContact OD1-CE1 3.1Å; D233-H237 PolarHBondContact OD1-CE1 2.76Å; D233-H237 IonicContact OD1-ND1 3.65Å; D233-H237 IonicContact OD2-CE1 3.19Å; D233-H237 PolarHBondContact OD2-CE1 2.91Å; D233-H237 VanDerWaalsContact OD2-CE1 3.31Å; D233-H237 IonicContact OD2-ND1 3.58Å; D233-H237 PolarHBondContact OD2-ND1 2.9Å; D233-H255 IonicContact OD2-CE1 2.71Å; D233-H255 IonicContact OD2-NE2 3.07Å; D233-H255 PolarHBondContact OD2-NE2 3.27Å
234F97.3Very high95.1Very high2 Ų245 Ų451%0.00924%0.244CC..Hα-helixtrans-53.6-58.5173.1178.7-111.8000110.5I124 A190 S230 A231 S236 H237 L238 A252 H255 W257 I258I124-F234 HydrophobicContact CG2-CE1 3.84Å; I124-F234 HydrophobicContact CG2-CZ 3.83Å; A190-F234 HydrophobicContact CB-CE1 4.34Å; S230-F234 WeakPolarHBondContact O-CB 3.41Å; S230-F234 PolarHBondContact O-N 3.22Å; A231-F234 WeakPolarHBondContact O-CB 3.22Å; A231-F234 PolarHBondContact O-N 3.17Å; F234-S236 VanDerWaalsContact C-N 3.27Å; F234-S236 PolarHBondContact O-N 3.37Å; F234-H237 WeakPolarHBondContact O-CB 3.21Å; F234-H237 PolarHBondContact O-N 2.85Å; F234-L238 HydrophobicContact CD1-CD1 3.38Å; F234-L238 HydrophobicContact CD2-CD1 3.77Å; F234-L238 HydrophobicContact CE1-CD1 3.23Å; F234-L238 HydrophobicContact CE1-CD2 4.38Å; F234-L238 HydrophobicContact CE1-CG 4.45Å; F234-L238 HydrophobicContact CE2-CD1 3.65Å; F234-L238 HydrophobicContact CE2-CG 4.48Å; F234-L238 HydrophobicContact CG-CD1 3.66Å; F234-L238 HydrophobicContact CZ-CD1 3.38Å; F234-L238 HydrophobicContact CZ-CD2 4.03Å; F234-L238 HydrophobicContact CZ-CG 4.28Å; F234-L238 WeakPolarHBondContact O-CD1 3.3Å; F234-L238 PolarHBondContact O-N 3.36Å; F234-A252 HydrophobicContact CE2-CB 4.01Å; F234-H255 VanDerWaalsContact CB-CE1 3.5Å; F234-H255 WeakPolarHBondContact CB-CE1 3.3Å; F234-H255 HydrophobicContact CD2-CB 3.73Å; F234-H255 AromaticContact CD2-CG 3.57Å; F234-H255 AromaticContact CD2-ND1 3.59Å; F234-H255 HydrophobicContact CE2-CB 4.16Å; F234-H255 AromaticContact CG-ND1 3.99Å; F234-W257 HydrophobicContact CB-CB 4.07Å; F234-W257 HydrophobicContact CB-CD2 4.46Å; F234-W257 HydrophobicContact CB-CE3 4.21Å; F234-W257 HydrophobicContact CB-CG 4.42Å; F234-W257 HydrophobicContact CD1-CD2 4.28Å; F234-W257 AromaticContact CD1-CE3 3.32Å; F234-W257 HydrophobicContact CD1-CE3 3.32Å; F234-W257 AromaticContact CD1-CZ3 3.57Å; F234-W257 HydrophobicContact CD1-CZ3 3.57Å; F234-W257 HydrophobicContact CD2-CE3 4.4Å; F234-W257 AromaticContact CE1-CE3 3.67Å; F234-W257 HydrophobicContact CE1-CE3 3.67Å; F234-W257 AromaticContact CE1-CZ3 3.58Å; F234-W257 HydrophobicContact CE1-CZ3 3.58Å; F234-W257 HydrophobicContact CG-CB 4.47Å; F234-W257 HydrophobicContact CG-CD2 4.44Å; F234-W257 AromaticContact CG-CE3 3.73Å; F234-W257 HydrophobicContact CG-CE3 3.73Å; F234-W257 HydrophobicContact CG-CZ3 4.42Å; F234-W257 HydrophobicContact CZ-CE3 4.34Å; F234-W257 HydrophobicContact CZ-CZ3 4.43Å; F234-I258 HydrophobicContact CD2-CG1 4.18Å; F234-I258 HydrophobicContact CE1-CD1 4.26Å; F234-I258 HydrophobicContact CE2-CD1 4.18Å; F234-I258 HydrophobicContact CE2-CG1 3.56Å; F234-I258 HydrophobicContact CZ-CD1 3.84Å; F234-I258 HydrophobicContact CZ-CG1 3.76Å
235I96Very high95.3Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-55.1-43.3-179.4-71.4170.1000111.5A190 Y191 L194 Y217 F219 W224 A231 K232 D233 H237 L238 M239A190-I235 HydrophobicContact CB-CD1 4.23Å; A190-I235 HydrophobicContact CB-CG1 3.92Å; Y191-I235 HydrophobicContact CD2-CG2 4.27Å; L194-I235 HydrophobicContact CD1-CD1 3.86Å; Y217-I235 HydrophobicContact CE2-CG2 4.33Å; F219-I235 HydrophobicContact CE1-CB 4.34Å; F219-I235 HydrophobicContact CE1-CD1 4.5Å; F219-I235 HydrophobicContact CE1-CG2 4.07Å; F219-I235 HydrophobicContact CZ-CB 4.28Å; F219-I235 HydrophobicContact CZ-CG2 4.12Å; W224-I235 HydrophobicContact CH2-CD1 3.45Å; W224-I235 VanDerWaalsContact CH2-CD1 3.45Å; W224-I235 HydrophobicContact CZ3-CD1 3.92Å; A231-I235 WeakPolarHBondContact O-CG1 3.29Å; A231-I235 PolarHBondContact O-N 2.62Å; K232-I235 PolarHBondContact O-N 2.88Å; D233-I235 PolarHBondContact O-N 3.04Å; I235-H237 PolarHBondContact O-N 3.14Å; I235-L238 PolarHBondContact O-N 3.35Å; I235-L238 VanDerWaalsContact O-N 3.07Å; I235-M239 HydrophobicContact CG2-CG 4.23Å; I235-M239 HydrophobicContact CG2-SD 3.72Å; I235-M239 PolarHBondContact O-N 2.98Å
236S97.7Very high95.5Very high45 Ų4547.4 Ų47.432%0.31525%0.25SC..Hα-helixtrans-59.3-35.3-179.6-59.10000112.8Y217 K232 D233 F234 C240Y217-S236 WeakPolarHBondContact OH-CA 3.34Å; K232-S236 WeakPolarHBondContact O-CB 3.18Å; K232-S236 PolarHBondContact O-N 3.32Å; K232-S236 PolarHBondContact O-OG 3.35Å; D233-S236 PolarHBondContact O-N 2.9Å; F234-S236 VanDerWaalsContact C-N 3.27Å; F234-S236 PolarHBondContact O-N 3.37Å; S236-C240 PolarHBondContact O-N 3.15Å
237H97.8Very high95.8Very high49 Ų4944.3 Ų44.323%0.22723%0.232CC..Hα-helixtrans-77.6-28.5176.6-72.4112.4000114.1D233 F234 I235 Y247D233-H237 PolarHBondContact O-N 3.34Å; D233-H237 PolarHBondContact O-ND1 2.77Å; D233-H237 IonicContact OD1-CE1 3.1Å; D233-H237 PolarHBondContact OD1-CE1 2.76Å; D233-H237 IonicContact OD1-ND1 3.65Å; D233-H237 IonicContact OD2-CE1 3.19Å; D233-H237 PolarHBondContact OD2-CE1 2.91Å; D233-H237 VanDerWaalsContact OD2-CE1 3.31Å; D233-H237 IonicContact OD2-ND1 3.58Å; D233-H237 PolarHBondContact OD2-ND1 2.9Å; F234-H237 WeakPolarHBondContact O-CB 3.21Å; F234-H237 PolarHBondContact O-N 2.85Å; I235-H237 PolarHBondContact O-N 3.14Å; H237-Y247 HydrophobicContact CB-CD1 3.66Å; H237-Y247 HydrophobicContact CB-CD2 3.82Å; H237-Y247 HydrophobicContact CB-CE1 3.68Å; H237-Y247 HydrophobicContact CB-CE2 3.88Å; H237-Y247 HydrophobicContact CB-CG 3.72Å; H237-Y247 AromaticContact CD2-CD1 3.75Å; H237-Y247 AromaticContact CD2-CE1 2.97Å; H237-Y247 WeakPolarHBondContact CD2-CE1 3.26Å; H237-Y247 AromaticContact CD2-CZ 3.23Å; H237-Y247 PolarHBondContact CD2-OH 3.26Å; H237-Y247 VanDerWaalsContact CD2-OH 3.31Å; H237-Y247 AromaticContact CE1-CZ 3.96Å; H237-Y247 PolarHBondContact CE1-OH 2.94Å; H237-Y247 AromaticContact CG-CD1 3.96Å; H237-Y247 AromaticContact CG-CE1 3.43Å; H237-Y247 VanDerWaalsContact CG-CE1 3.43Å; H237-Y247 AromaticContact CG-CE2 3.88Å; H237-Y247 AromaticContact CG-CZ 3.37Å; H237-Y247 AromaticContact ND1-CZ 3.84Å; H237-Y247 AromaticContact NE2-CE1 3.65Å; H237-Y247 AromaticContact NE2-CZ 3.56Å; H237-Y247 PolarHBondContact NE2-OH 3.46Å; H237-Y247 PolarHBondContact O-N 3.46Å; H237-Y247 VanDerWaalsContact O-N 3.09Å
238L93.5Very high95.7Very high2 Ų246.6 Ų46.61%0.0125%0.246CC..Hα-helixtrans-79.3-40.2173.6-64114.3000112.1V183 I186 F234 I235 C240 R246 A252V183-L238 HydrophobicContact CG1-CB 4.03Å; V183-L238 HydrophobicContact CG1-CD2 3.67Å; V183-L238 HydrophobicContact CG1-CG 3.98Å; V183-L238 WeakPolarHBondContact O-CD2 3.37Å; I186-L238 HydrophobicContact CB-CD2 3.82Å; I186-L238 HydrophobicContact CG2-CD2 3.55Å; F234-L238 HydrophobicContact CD1-CD1 3.38Å; F234-L238 HydrophobicContact CD2-CD1 3.77Å; F234-L238 HydrophobicContact CE1-CD1 3.23Å; F234-L238 HydrophobicContact CE1-CD2 4.38Å; F234-L238 HydrophobicContact CE1-CG 4.45Å; F234-L238 HydrophobicContact CE2-CD1 3.65Å; F234-L238 HydrophobicContact CE2-CG 4.48Å; F234-L238 HydrophobicContact CG-CD1 3.66Å; F234-L238 HydrophobicContact CZ-CD1 3.38Å; F234-L238 HydrophobicContact CZ-CD2 4.03Å; F234-L238 HydrophobicContact CZ-CG 4.28Å; F234-L238 WeakPolarHBondContact O-CD1 3.3Å; F234-L238 PolarHBondContact O-N 3.36Å; I235-L238 PolarHBondContact O-N 3.35Å; I235-L238 VanDerWaalsContact O-N 3.07Å; L238-C240 PolarHBondContact O-N 2.81Å; L238-R246 WeakPolarHBondContact O-CD 3.34Å; L238-R246 VanDerWaalsContact O-CG 3.24Å; L238-R246 WeakPolarHBondContact O-CG 3.43Å; L238-A252 HydrophobicContact CD2-CB 4.44Å
239M94.8Very high95.3Very high4 Ų448.8 Ų48.82%0.0226%0.261CS..SBendtrans-91.334.7-179.9-62-176.555.200112W184 G187 V188 P199 F200 Y217 I235W184-M239 HydrophobicContact CE3-CB 4.23Å; W184-M239 HydrophobicContact CH2-CB 4.49Å; W184-M239 HydrophobicContact CZ2-CE 4.33Å; W184-M239 VanDerWaalsContact CZ3-C 3.47Å; W184-M239 HydrophobicContact CZ3-CB 4.09Å; W184-M239 VanDerWaalsContact CZ3-O 3.28Å; W184-M239 WeakPolarHBondContact CZ3-O 3.48Å; G187-M239 VanDerWaalsContact C-SD 3.55Å; V188-M239 HydrophobicContact CG2-CE 4.12Å; V188-M239 HydrophobicContact CG2-SD 4.24Å; P199-M239 HydrophobicContact CB-CE 3.83Å; P199-M239 HydrophobicContact CG-CE 3.72Å; P199-M239 HydrophobicContact CG-SD 4.29Å; F200-M239 HydrophobicContact CD2-CE 4.4Å; F200-M239 HydrophobicContact CE2-CE 3.3Å; F200-M239 HydrophobicContact CZ-CE 3.41Å; F200-M239 VanDerWaalsContact CZ-CE 3.41Å; Y217-M239 HydrophobicContact CD1-CE 3.8Å; Y217-M239 HydrophobicContact CE1-CB 3.9Å; Y217-M239 HydrophobicContact CE1-CE 3.92Å; Y217-M239 HydrophobicContact CG-CE 4.12Å; I235-M239 HydrophobicContact CG2-CG 4.23Å; I235-M239 HydrophobicContact CG2-SD 3.72Å; I235-M239 PolarHBondContact O-N 2.98Å
240C96.3Very high94.9Very high34 Ų3449.9 Ų49.923%0.2326%0.259CS..  trans-78.1124.4172.5-171.30000109.7S236 L238 D242 R246S236-C240 PolarHBondContact O-N 3.15Å; L238-C240 PolarHBondContact O-N 2.81Å; C240-D242 VanDerWaalsContact C-N 3.32Å; C240-D242 PolarHBondContact O-N 3.41Å; C240-R246 HydrophobicContact CB-CB 4.03Å; C240-R246 HydrophobicContact CB-CG 4.24Å; C240-R246 PolarHBondContact O-NE 3.02Å; C240-R246 PolarHBondContact O-NH2 3.28Å
241V95Very high94.7Very high53 Ų5354.6 Ų54.632%0.32127%0.273SS..SBendtrans-61.9-41-177.5176.90000111.8P169 W184 G215 P243 R246P169-V241 HydrophobicContact CB-CG1 4.24Å; P169-V241 HydrophobicContact CG-CG1 4.31Å; W184-V241 HydrophobicContact CZ3-CG2 4.44Å; G215-V241 VanDerWaalsContact CA-CG2 3.43Å; V241-P243 WeakPolarHBondContact O-CD 3.48Å; V241-R246 PolarHBondContact O-NH2 3.16Å
242D94.6Very high94.6Very high53 Ų5355 Ų5528%0.28328%0.277SS..SBendtrans-75.2108.6179.2-175.2-10.2000110.2C240 E244 K245 R246C240-D242 VanDerWaalsContact C-N 3.32Å; C240-D242 PolarHBondContact O-N 3.41Å; D242-E244 PolarHBondContact O-N 3.48Å; D242-E244 VanDerWaalsContact O-N 3.17Å; D242-E244 PolarHBondContact OD1-N 2.8Å; D242-K245 HydrophobicContact CB-CB 4.23Å; D242-K245 HydrophobicContact CB-CD 4.22Å; D242-K245 HydrophobicContact CB-CG 4.36Å; D242-K245 PolarHBondContact O-N 2.88Å; D242-K245 VanDerWaalsContact OD2-CD 3.32Å; D242-K245 WeakPolarHBondContact OD2-CD 3.46Å; D242-K245 WeakPolarHBondContact OD2-CE 3.47Å; D242-K245 IonicContact OD2-NZ 3.4Å; D242-K245 PolarHBondContact OD2-NZ 3.33Å; D242-R246 PolarHBondContact O-N 3.13Å
243P92.2Very high94.2Very high46 Ų4657.5 Ų57.530%0.29929%0.292SS..THydrogen-bonded Turntrans-63-25.6-174.3-21.735000113.1E170 E180 V241 K245E170-P243 HydrophobicContact CB-CG 4.32Å; E170-P243 HydrophobicContact CG-CG 4.14Å; E180-P243 HydrophobicContact CB-CB 4.42Å; V241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-K245 VanDerWaalsContact C-N 3.32Å
244E92.9Very high93.9Very high186 Ų18659.5 Ų59.587%0.86930%0.299SS*.THydrogen-bonded Turntrans-73.5-25.9178.3-62.1-171.8169.300112.6D242D242-E244 PolarHBondContact O-N 3.48Å; D242-E244 VanDerWaalsContact O-N 3.17Å; D242-E244 PolarHBondContact OD1-N 2.8Å
245K95.9Very high93.9Very high141 Ų14159.8 Ų59.861%0.61330%0.3SS*.THydrogen-bonded Turntrans-96.3-22.5177.4-65.9178.1-171.3132.70112.8D242 P243D242-K245 HydrophobicContact CB-CB 4.23Å; D242-K245 HydrophobicContact CB-CD 4.22Å; D242-K245 HydrophobicContact CB-CG 4.36Å; D242-K245 PolarHBondContact O-N 2.88Å; D242-K245 VanDerWaalsContact OD2-CD 3.32Å; D242-K245 WeakPolarHBondContact OD2-CD 3.46Å; D242-K245 WeakPolarHBondContact OD2-CE 3.47Å; D242-K245 IonicContact OD2-NZ 3.4Å; D242-K245 PolarHBondContact OD2-NZ 3.33Å; P243-K245 VanDerWaalsContact C-N 3.32Å
246R97.1Very high93.8Very high8 Ų862 Ų623%0.0331%0.314CS..SBendtrans-54.8140.8174.2-165.6-178.3-60.9151.57.8110.1E170 E180 V183 L238 C240 V241 D242E170-R246 IonicContact OE1-CZ 3.05Å; E170-R246 IonicContact OE1-NH1 3.31Å; E170-R246 PolarHBondContact OE1-NH1 3.32Å; E170-R246 IonicContact OE1-NH2 2.67Å; E170-R246 PolarHBondContact OE1-NH2 2.75Å; E170-R246 IonicContact OE2-CZ 3.92Å; E170-R246 IonicContact OE2-NH1 3.47Å; E170-R246 IonicContact OE2-NH2 2.93Å; E170-R246 PolarHBondContact OE2-NH2 3.1Å; E180-R246 VanDerWaalsContact C-NH1 3.34Å; E180-R246 WeakPolarHBondContact O-CD 3.47Å; E180-R246 PolarHBondContact O-NH1 2.98Å; V183-R246 HydrophobicContact CB-CG 4.48Å; V183-R246 HydrophobicContact CG1-CG 4.18Å; L238-R246 WeakPolarHBondContact O-CD 3.34Å; L238-R246 VanDerWaalsContact O-CG 3.24Å; L238-R246 WeakPolarHBondContact O-CG 3.43Å; C240-R246 HydrophobicContact CB-CB 4.03Å; C240-R246 HydrophobicContact CB-CG 4.24Å; C240-R246 PolarHBondContact O-NE 3.02Å; C240-R246 PolarHBondContact O-NH2 3.28Å; V241-R246 PolarHBondContact O-NH2 3.16Å; D242-R246 PolarHBondContact O-N 3.13Å
247Y96.2Very high93.7Very high23 Ų2359.9 Ų59.99%0.0930%0.299CS..PPolyproline II helixtrans-62.2147.4179-85.725.5000110.9V183 H237 R251V183-Y247 VanDerWaalsContact CG1-O 3.26Å; V183-Y247 WeakPolarHBondContact CG1-O 3.21Å; V183-Y247 WeakPolarHBondContact CG2-O 3.45Å; H237-Y247 HydrophobicContact CB-CD1 3.66Å; H237-Y247 HydrophobicContact CB-CD2 3.82Å; H237-Y247 HydrophobicContact CB-CE1 3.68Å; H237-Y247 HydrophobicContact CB-CE2 3.88Å; H237-Y247 HydrophobicContact CB-CG 3.72Å; H237-Y247 AromaticContact CD2-CD1 3.75Å; H237-Y247 AromaticContact CD2-CE1 2.97Å; H237-Y247 WeakPolarHBondContact CD2-CE1 3.26Å; H237-Y247 AromaticContact CD2-CZ 3.23Å; H237-Y247 PolarHBondContact CD2-OH 3.26Å; H237-Y247 VanDerWaalsContact CD2-OH 3.31Å; H237-Y247 AromaticContact CE1-CZ 3.96Å; H237-Y247 PolarHBondContact CE1-OH 2.94Å; H237-Y247 AromaticContact CG-CD1 3.96Å; H237-Y247 AromaticContact CG-CE1 3.43Å; H237-Y247 VanDerWaalsContact CG-CE1 3.43Å; H237-Y247 AromaticContact CG-CE2 3.88Å; H237-Y247 AromaticContact CG-CZ 3.37Å; H237-Y247 AromaticContact ND1-CZ 3.84Å; H237-Y247 AromaticContact NE2-CE1 3.65Å; H237-Y247 AromaticContact NE2-CZ 3.56Å; H237-Y247 PolarHBondContact NE2-OH 3.46Å; H237-Y247 PolarHBondContact O-N 3.46Å; H237-Y247 VanDerWaalsContact O-N 3.09Å; Y247-R251 HydrophobicContact CD1-CG 4.34Å; Y247-R251 HydrophobicContact CD2-CB 4.04Å; Y247-R251 HydrophobicContact CD2-CG 3.61Å; Y247-R251 HydrophobicContact CE1-CG 4.44Å; Y247-R251 HydrophobicContact CE2-CG 3.7Å; Y247-R251 HydrophobicContact CG-CB 4.2Å; Y247-R251 HydrophobicContact CG-CG 3.95Å; Y247-R251 PolarHBondContact OH-NE 2.92Å; Y247-R251 PolarHBondContact OH-NH2 3.44Å
248T91.8Very high93.4Very high55 Ų5558.6 Ų58.634%0.33729%0.294SS..PPolyproline II helixtrans-80.9159.4164.1630000108.9K250 R251 A252T248-K250 PolarHBondContact O-N 3.17Å; T248-K250 VanDerWaalsContact O-N 3.13Å; T248-R251 PolarHBondContact O-N 3.26Å; T248-R251 PolarHBondContact OG1-N 2.91Å; T248-A252 PolarHBondContact O-N 3.04Å
249C86.7Confident93Very high62 Ų6265 Ų6542%0.41932%0.324SS..Hα-helixtrans-53.4-37.1174.5-56.70000112.3A252 L253C249-A252 PolarHBondContact O-N 3.45Å; C249-L253 WeakPolarHBondContact O-CB 3.49Å; C249-L253 VanDerWaalsContact O-CG 3.26Å; C249-L253 WeakPolarHBondContact O-CG 3.13Å; C249-L253 PolarHBondContact O-N 3.42Å
250K89Confident92.5Very high147 Ų14769.7 Ų69.764%0.63935%0.349SS*.Hα-helixtrans-60.6-50176.4-176.8-178.3174.3-173.20111.2T248 A252 L253 E254T248-K250 PolarHBondContact O-N 3.17Å; T248-K250 VanDerWaalsContact O-N 3.13Å; K250-A252 VanDerWaalsContact C-N 3.34Å; K250-A252 PolarHBondContact O-N 3.22Å; K250-L253 PolarHBondContact O-N 3.09Å; K250-E254 WeakPolarHBondContact CE-OE1 3.34Å; K250-E254 WeakPolarHBondContact O-CG 3.44Å; K250-E254 PolarHBondContact O-N 3.28Å
251R93.1Very high91.8Very high124 Ų12471.1 Ų71.147%0.46837%0.369SS..Hα-helixtrans-66.5-36.3179.6-166.8178.8173.4-174.7-6.2112Y247 T248 E254 H255Y247-R251 HydrophobicContact CD1-CG 4.34Å; Y247-R251 HydrophobicContact CD2-CB 4.04Å; Y247-R251 HydrophobicContact CD2-CG 3.61Å; Y247-R251 HydrophobicContact CE1-CG 4.44Å; Y247-R251 HydrophobicContact CE2-CG 3.7Å; Y247-R251 HydrophobicContact CG-CB 4.2Å; Y247-R251 HydrophobicContact CG-CG 3.95Å; Y247-R251 PolarHBondContact OH-NE 2.92Å; Y247-R251 PolarHBondContact OH-NH2 3.44Å; T248-R251 PolarHBondContact O-N 3.26Å; T248-R251 PolarHBondContact OG1-N 2.91Å; R251-E254 PolarHBondContact O-N 3.5Å; R251-H255 PolarHBondContact O-N 3.27Å
252A92.3Very high91.7Very high9 Ų971.1 Ų71.17%0.07437%0.369CS..Hα-helixtrans-63.7-39.2174.400000112.1F234 L238 T248 C249 K250 E254 H255F234-A252 HydrophobicContact CE2-CB 4.01Å; L238-A252 HydrophobicContact CD2-CB 4.44Å; T248-A252 PolarHBondContact O-N 3.04Å; C249-A252 PolarHBondContact O-N 3.45Å; K250-A252 VanDerWaalsContact C-N 3.34Å; K250-A252 PolarHBondContact O-N 3.22Å; A252-E254 PolarHBondContact O-N 2.92Å; A252-H255 WeakPolarHBondContact O-CB 3.49Å; A252-H255 PolarHBondContact O-N 3.28Å
253L90.2Very high91.5Very high91 Ų9169.1 Ų69.148%0.47636%0.36SS..Hα-helixtrans-68.5-22.9175.9-72.8169.9000113.6R125 C249 K250 H255 I258R125-L253 HydrophobicContact CG-CD2 4.38Å; C249-L253 WeakPolarHBondContact O-CB 3.49Å; C249-L253 VanDerWaalsContact O-CG 3.26Å; C249-L253 WeakPolarHBondContact O-CG 3.13Å; C249-L253 PolarHBondContact O-N 3.42Å; K250-L253 PolarHBondContact O-N 3.09Å; L253-H255 VanDerWaalsContact C-N 3.35Å; L253-I258 HydrophobicContact CD2-CG2 4.38Å
254E92.4Very high91.5Very high116 Ų11670.3 Ų70.354%0.54236%0.363SS..THydrogen-bonded Turntrans-88.6-2.5175.6-67.8166.6-178.100112.2K250 R251 A252K250-E254 WeakPolarHBondContact CE-OE1 3.34Å; K250-E254 WeakPolarHBondContact O-CG 3.44Å; K250-E254 PolarHBondContact O-N 3.28Å; R251-E254 PolarHBondContact O-N 3.5Å; A252-E254 PolarHBondContact O-N 2.92Å
255H95.9Very high91.3Very high7 Ų766.5 Ų66.53%0.03235%0.353CS..SBendtrans-70.1142.4-178.1-173.2-87.4000111.7S230 D233 F234 R251 A252 L253 W257 I258 H259S230-H255 PolarHBondContact O-CE1 3.33Å; S230-H255 VanDerWaalsContact O-CE1 3.28Å; D233-H255 IonicContact OD2-CE1 2.71Å; D233-H255 IonicContact OD2-NE2 3.07Å; D233-H255 PolarHBondContact OD2-NE2 3.27Å; F234-H255 VanDerWaalsContact CB-CE1 3.5Å; F234-H255 WeakPolarHBondContact CB-CE1 3.3Å; F234-H255 HydrophobicContact CD2-CB 3.73Å; F234-H255 AromaticContact CD2-CG 3.57Å; F234-H255 AromaticContact CD2-ND1 3.59Å; F234-H255 HydrophobicContact CE2-CB 4.16Å; F234-H255 AromaticContact CG-ND1 3.99Å; R251-H255 PolarHBondContact O-N 3.27Å; A252-H255 WeakPolarHBondContact O-CB 3.49Å; A252-H255 PolarHBondContact O-N 3.28Å; L253-H255 VanDerWaalsContact C-N 3.35Å; H255-W257 VanDerWaalsContact C-N 3.27Å; H255-W257 WeakPolarHBondContact ND1-CB 3.06Å; H255-W257 PolarHBondContact ND1-N 3.03Å; H255-W257 VanDerWaalsContact ND1-N 3.14Å; H255-W257 PolarHBondContact O-N 3.33Å; H255-W257 VanDerWaalsContact O-N 3.13Å; H255-I258 PolarHBondContact O-N 3.25Å; H255-H259 PolarHBondContact O-N 3.46Å
256P94.5Very high91Very high46 Ų4664.4 Ų64.430%0.29934%0.344SS..Hα-helixtrans-53.6-38.4-176.6-30.435.9000115I258 H259 D260 G261 T262P256-I258 PolarHBondContact O-N 2.74Å; P256-H259 PolarHBondContact O-N 2.91Å; P256-D260 HydrophobicContact CB-CB 4.05Å; P256-D260 WeakPolarHBondContact O-CA 3.48Å; P256-D260 PolarHBondContact O-N 2.88Å; P256-G261 PolarHBondContact O-N 3.32Å; P256-T262 HydrophobicContact CB-CG2 3.84Å; P256-T262 PolarHBondContact O-OG1 3.15Å; P256-T262 VanDerWaalsContact O-OG1 3.13Å
257W95.7Very high90.6Very high1 Ų167.5 Ų67.50%0.00436%0.361CS..Hα-helixtrans-62.1-26.3177.2-169.673.2000114E117 A120 S121 I124 L194 A231 F234 H255 T262 A263E117-W257 HydrophobicContact CB-CZ2 4.32Å; E117-W257 PolarHBondContact OE2-NE1 3.46Å; E117-W257 VanDerWaalsContact OE2-NE1 3.15Å; A120-W257 HydrophobicContact CB-CH2 4.09Å; A120-W257 HydrophobicContact CB-CZ2 4.21Å; S121-W257 VanDerWaalsContact CA-CH2 3.42Å; S121-W257 PolarHBondContact OG-O 3.39Å; I124-W257 HydrophobicContact CB-CZ3 4.44Å; I124-W257 HydrophobicContact CG1-CZ3 4.39Å; L194-W257 HydrophobicContact CD1-CH2 4.28Å; L194-W257 HydrophobicContact CD1-CZ2 3.94Å; L194-W257 HydrophobicContact CD2-CZ2 4.02Å; L194-W257 HydrophobicContact CG-CZ2 4.39Å; A231-W257 HydrophobicContact CB-CD2 4.26Å; A231-W257 HydrophobicContact CB-CG 4.21Å; A231-W257 HydrophobicContact CB-CZ2 4.32Å; A231-W257 VanDerWaalsContact CB-NE1 3.27Å; F234-W257 HydrophobicContact CB-CB 4.07Å; F234-W257 HydrophobicContact CB-CD2 4.46Å; F234-W257 HydrophobicContact CB-CE3 4.21Å; F234-W257 HydrophobicContact CB-CG 4.42Å; F234-W257 HydrophobicContact CD1-CD2 4.28Å; F234-W257 AromaticContact CD1-CE3 3.32Å; F234-W257 HydrophobicContact CD1-CE3 3.32Å; F234-W257 AromaticContact CD1-CZ3 3.57Å; F234-W257 HydrophobicContact CD1-CZ3 3.57Å; F234-W257 HydrophobicContact CD2-CE3 4.4Å; F234-W257 AromaticContact CE1-CE3 3.67Å; F234-W257 HydrophobicContact CE1-CE3 3.67Å; F234-W257 AromaticContact CE1-CZ3 3.58Å; F234-W257 HydrophobicContact CE1-CZ3 3.58Å; F234-W257 HydrophobicContact CG-CB 4.47Å; F234-W257 HydrophobicContact CG-CD2 4.44Å; F234-W257 AromaticContact CG-CE3 3.73Å; F234-W257 HydrophobicContact CG-CE3 3.73Å; F234-W257 HydrophobicContact CG-CZ3 4.42Å; F234-W257 HydrophobicContact CZ-CE3 4.34Å; F234-W257 HydrophobicContact CZ-CZ3 4.43Å; H255-W257 VanDerWaalsContact C-N 3.27Å; H255-W257 WeakPolarHBondContact ND1-CB 3.06Å; H255-W257 PolarHBondContact ND1-N 3.03Å; H255-W257 VanDerWaalsContact ND1-N 3.14Å; H255-W257 PolarHBondContact O-N 3.33Å; H255-W257 VanDerWaalsContact O-N 3.13Å; W257-T262 WeakPolarHBondContact CA-OG1 3.5Å; W257-T262 PolarHBondContact N-OG1 2.84Å; W257-T262 VanDerWaalsContact N-OG1 3.1Å; W257-A263 HydrophobicContact CG-CB 4.45Å
258I90.5Very high90.2Very high22 Ų2266.8 Ų66.811%0.11336%0.359CS..Hα-helixtrans-95.4-41.6176.2-61.4-63.5000111.6I124 R125 F234 L253 H255 P256I124-I258 HydrophobicContact CB-CD1 4.48Å; I124-I258 HydrophobicContact CG2-CD1 4.08Å; R125-I258 HydrophobicContact CG-CG2 3.96Å; F234-I258 HydrophobicContact CD2-CG1 4.18Å; F234-I258 HydrophobicContact CE1-CD1 4.26Å; F234-I258 HydrophobicContact CE2-CD1 4.18Å; F234-I258 HydrophobicContact CE2-CG1 3.56Å; F234-I258 HydrophobicContact CZ-CD1 3.84Å; F234-I258 HydrophobicContact CZ-CG1 3.76Å; L253-I258 HydrophobicContact CD2-CG2 4.38Å; H255-I258 PolarHBondContact O-N 3.25Å; P256-I258 PolarHBondContact O-N 2.74Å
259H85.6Confident89.9Confident137 Ų13765.9 Ų65.963%0.63435%0.349SS*.Hα-helixtrans-104.1-41.4-167-168.563000114.6H255 P256H255-H259 PolarHBondContact O-N 3.46Å; P256-H259 PolarHBondContact O-N 2.91Å
260D84.2Confident89.8Confident103 Ų10367.4 Ų67.455%0.55136%0.358SS*.SBendtrans-96.38.1-166.9-61-28.4000113.3P256 T262P256-D260 HydrophobicContact CB-CB 4.05Å; P256-D260 WeakPolarHBondContact O-CA 3.48Å; P256-D260 PolarHBondContact O-N 2.88Å; D260-T262 VanDerWaalsContact C-N 3.31Å; D260-T262 PolarHBondContact O-N 2.82Å
261G82.3Confident89.6Confident63 Ų6363.3 Ų63.365%0.64935%0.352SS*.SBendtrans7024.217600000114.2P256 A263P256-G261 PolarHBondContact O-N 3.32Å; G261-A263 PolarHBondContact O-N 3.22Å
262T91.8Very high89Confident54 Ų5457.5 Ų57.533%0.33133%0.33SS..  trans-75.8-11.3174.460.70000113.1S230 P256 W257 D260 L264S230-T262 WeakPolarHBondContact CB-OG1 3.46Å; S230-T262 PolarHBondContact OG-OG1 2.99Å; P256-T262 HydrophobicContact CB-CG2 3.84Å; P256-T262 PolarHBondContact O-OG1 3.15Å; P256-T262 VanDerWaalsContact O-OG1 3.13Å; W257-T262 WeakPolarHBondContact CA-OG1 3.5Å; W257-T262 PolarHBondContact N-OG1 2.84Å; W257-T262 VanDerWaalsContact N-OG1 3.1Å; D260-T262 VanDerWaalsContact C-N 3.31Å; D260-T262 PolarHBondContact O-N 2.82Å; T262-L264 PolarHBondContact O-N 3.14Å
263A90.6Very high88.4Confident10 Ų1057.7 Ų57.78%0.08333%0.331CS..SBendtrans-63.7124.8172.900000110.8E117 Q118 W257 G261E117-A263 HydrophobicContact CB-CB 4.14Å; Q118-A263 HydrophobicContact CB-CB 4.46Å; W257-A263 HydrophobicContact CG-CB 4.45Å; G261-A263 PolarHBondContact O-N 3.22Å
264L92.1Very high87.8Confident71 Ų7158.9 Ų58.937%0.37233%0.334SS..  trans-70.7145.1-177.1-58.3179.8000112.3E117 Q118 T262 K266E117-L264 HydrophobicContact CB-CB 4.48Å; E117-L264 WeakPolarHBondContact CB-O 3.37Å; E117-L264 HydrophobicContact CG-CB 4.25Å; E117-L264 PolarHBondContact N-O 3.47Å; E117-L264 WeakPolarHBondContact OE1-CD1 3.23Å; E117-L264 PolarHBondContact OE2-N 3.32Å; Q118-L264 PolarHBondContact N-O 2.82Å; Q118-L264 VanDerWaalsContact N-O 3.12Å; T262-L264 PolarHBondContact O-N 3.14Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 HydrophobicContact CB-CB 4.47Å
265T89.3Confident87Confident107 Ų10755.1 Ų55.166%0.65632%0.316SS*.  trans-90.60.9173.357.30000112.9D267T265-D267 PolarHBondContact O-N 2.57Å
266K89.3Confident85.9Confident96 Ų9654.8 Ų54.842%0.41732%0.315SS..SBendtrans-60135.4176.7179.7174.9171.5175.90109.7S116 D226 L264 I268S116-K266 WeakPolarHBondContact CA-O 3.33Å; S116-K266 WeakPolarHBondContact CB-O 3.25Å; D226-K266 IonicContact OD1-NZ 2.66Å; D226-K266 PolarHBondContact OD1-NZ 2.97Å; D226-K266 IonicContact OD2-NZ 2.84Å; D226-K266 PolarHBondContact OD2-NZ 3.39Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 HydrophobicContact CB-CB 4.47Å; K266-I268 PolarHBondContact O-N 2.87Å
267D87.9Confident84.8Confident73 Ų7357.7 Ų57.739%0.3932%0.322SS..BIsolated β-bridgetrans-73114.3175.9-173.425.3000110.2Y115 T265 Y269Y115-D267 PolarHBondContact N-OD1 2.95Å; T265-D267 PolarHBondContact O-N 2.57Å; D267-Y269 WeakPolarHBondContact OD1-CB 3.16Å; D267-Y269 PolarHBondContact OD1-N 2.84Å; D267-Y269 VanDerWaalsContact OD1-N 3.11Å
268I88.3Confident83.6Confident8 Ų863.8 Ų63.84%0.04135%0.349CS..  trans-103.5-1.8176.262168.2000111.5Y115 L194 I227 K266 P270 A271 I272Y115-I268 HydrophobicContact CD1-CD1 4.15Å; Y115-I268 HydrophobicContact CD1-CG1 4.1Å; Y115-I268 HydrophobicContact CE1-CD1 4.46Å; Y115-I268 WeakPolarHBondContact O-CG1 2.83Å; Y115-I268 PolarHBondContact O-N 2.81Å; L194-I268 HydrophobicContact CD2-CD1 4.16Å; I227-I268 HydrophobicContact CD1-CD1 3.89Å; I227-I268 HydrophobicContact CD1-CG2 3.92Å; K266-I268 PolarHBondContact O-N 2.87Å; I268-P270 VanDerWaalsContact C-CD 3.43Å; I268-A271 WeakPolarHBondContact O-CB 3.45Å; I268-A271 PolarHBondContact O-N 3.25Å; I268-I272 HydrophobicContact CD1-CD1 4.35Å; I268-I272 HydrophobicContact CD1-CG2 4.43Å; I268-I272 HydrophobicContact CG1-CD1 4.31Å; I268-I272 PolarHBondContact O-N 3.06Å
269Y86.4Confident82.3Confident36 Ų3664 Ų6414%0.14135%0.35CS..Hα-helixtrans-51.7-43.1-180178.5-91.8000114.5I109 V110 G113 Y115 D267 A271 I272 S273I109-Y269 VanDerWaalsContact O-CE2 3.27Å; I109-Y269 WeakPolarHBondContact O-CE2 3.17Å; V110-Y269 PolarHBondContact O-OH 3.42Å; G113-Y269 VanDerWaalsContact O-CD1 3.24Å; G113-Y269 WeakPolarHBondContact O-CD1 3.29Å; Y115-Y269 PolarHBondContact O-N 2.88Å; D267-Y269 WeakPolarHBondContact OD1-CB 3.16Å; D267-Y269 PolarHBondContact OD1-N 2.84Å; D267-Y269 VanDerWaalsContact OD1-N 3.11Å; Y269-A271 PolarHBondContact O-N 2.83Å; Y269-I272 PolarHBondContact O-N 2.86Å; Y269-S273 VanDerWaalsContact CZ-CB 3.45Å; Y269-S273 WeakPolarHBondContact O-CB 3.49Å; Y269-S273 PolarHBondContact O-N 3.09Å; Y269-S273 PolarHBondContact O-OG 3.2Å
270P84.6Confident81.1Confident94 Ų9457.9 Ų57.961%0.6132%0.322SS*.Hα-helixtrans-58.3-35.9177.5-25.135.5000112.9I268I268-P270 VanDerWaalsContact C-CD 3.43Å
271A83.3Confident79.5Confident61 Ų6156.6 Ų56.650%0.50432%0.318SS..Hα-helixtrans-77.1-34.1-178.900000113I268 Y269I268-A271 WeakPolarHBondContact O-CB 3.45Å; I268-A271 PolarHBondContact O-N 3.25Å; Y269-A271 PolarHBondContact O-N 2.83Å
272I81.7Confident78Confident2 Ų259.4 Ų59.41%0.0131%0.309CS..Hα-helixtrans-99.5-28.7-17269.8173000114.2I109 Y115 L194 I268 Y269 E274 K275 L276I109-I272 HydrophobicContact CG2-CD1 4.13Å; Y115-I272 HydrophobicContact CD1-CD1 3.3Å; Y115-I272 HydrophobicContact CE1-CD1 3.79Å; Y115-I272 HydrophobicContact CG-CD1 4.05Å; L194-I272 VanDerWaalsContact O-CG2 3.31Å; L194-I272 WeakPolarHBondContact O-CG2 3.47Å; I268-I272 HydrophobicContact CD1-CD1 4.35Å; I268-I272 HydrophobicContact CD1-CG2 4.43Å; I268-I272 HydrophobicContact CG1-CD1 4.31Å; I268-I272 PolarHBondContact O-N 3.06Å; Y269-I272 PolarHBondContact O-N 2.86Å; I272-E274 PolarHBondContact O-N 3.36Å; I272-K275 PolarHBondContact O-N 2.98Å; I272-K275 VanDerWaalsContact O-N 3.1Å; I272-L276 HydrophobicContact CB-CD1 4.48Å; I272-L276 HydrophobicContact CD1-CD1 4.01Å; I272-L276 HydrophobicContact CG1-CD1 4.22Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.24Å
273S79.7Confident76.2Confident14 Ų1458.6 Ų58.610%0.09830%0.302CS..Hα-helixtrans-63.2-41.2-167.3590000113.4Y269 K275 K277Y269-S273 VanDerWaalsContact CZ-CB 3.45Å; Y269-S273 WeakPolarHBondContact O-CB 3.49Å; Y269-S273 PolarHBondContact O-N 3.09Å; Y269-S273 PolarHBondContact O-OG 3.2Å; S273-K275 VanDerWaalsContact C-N 3.3Å; S273-K275 PolarHBondContact O-N 3.37Å; S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.48Å; S273-K277 PolarHBondContact O-N 2.87Å
274E78Confident74.2Confident115 Ų11562.8 Ų62.854%0.53732%0.32SS..Hα-helixtrans-62.4-39.4176.2-165.9-164.9146.900111.5I272 K277 K278I272-E274 PolarHBondContact O-N 3.36Å; E274-K277 WeakPolarHBondContact O-CB 3.45Å; E274-K277 PolarHBondContact O-N 2.93Å; E274-K278 WeakPolarHBondContact O-CG 3.33Å; E274-K278 PolarHBondContact O-N 3.41Å; E274-K278 VanDerWaalsContact O-N 3.07Å; E274-K278 VanDerWaalsContact OE1-CE 3.26Å; E274-K278 WeakPolarHBondContact OE1-CE 3.35Å; E274-K278 IonicContact OE1-NZ 2.62Å; E274-K278 PolarHBondContact OE1-NZ 2.73Å
275K75.7Confident71.1Confident38 Ų3868 Ų6817%0.16534%0.335CS..Hα-helixtrans-74.4-41-179-61.3177.6174.5-1700112C195 G196 Y197 I272 S273 K277 K278 L279C195-K275 VanDerWaalsContact O-CD 3.28Å; C195-K275 WeakPolarHBondContact O-CD 3.22Å; G196-K275 CarbonylContact O-C 3.56Å; G196-K275 VanDerWaalsContact O-CB 3.27Å; G196-K275 WeakPolarHBondContact O-CB 3.27Å; Y197-K275 HydrophobicContact CD1-CD 4.16Å; I272-K275 PolarHBondContact O-N 2.98Å; I272-K275 VanDerWaalsContact O-N 3.1Å; S273-K275 VanDerWaalsContact C-N 3.3Å; S273-K275 PolarHBondContact O-N 3.37Å; K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 3.35Å; K275-K278 CarbonylContact O-C 3.54Å; K275-K278 WeakPolarHBondContact O-CA 3.34Å; K275-K278 WeakPolarHBondContact O-CB 3.49Å; K275-K278 PolarHBondContact O-N 3.25Å; K275-L279 PolarHBondContact O-N 3.2Å
276L71.7Confident68.5Low0 Ų066.8 Ų66.80%032%0.32CS..Hα-helixtrans-61.8-36.2172.7-71.8-178.9000111.6F106 I109 V110 I192 I272 L279 T280F106-L276 HydrophobicContact CD1-CD2 3.55Å; F106-L276 HydrophobicContact CE1-CD2 4.02Å; F106-L276 HydrophobicContact CG-CD2 4.3Å; I109-L276 HydrophobicContact CB-CD1 4.03Å; I109-L276 HydrophobicContact CD1-CD1 4.5Å; I109-L276 HydrophobicContact CG2-CD1 3.45Å; I109-L276 VanDerWaalsContact CG2-CD1 3.45Å; V110-L276 HydrophobicContact CG2-CB 3.71Å; I192-L276 HydrophobicContact CG2-CD2 4.17Å; I272-L276 HydrophobicContact CB-CD1 4.48Å; I272-L276 HydrophobicContact CD1-CD1 4.01Å; I272-L276 HydrophobicContact CG1-CD1 4.22Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.24Å; L276-L279 HydrophobicContact CD2-CD1 4.33Å; L276-L279 PolarHBondContact O-N 2.84Å; L276-T280 WeakPolarHBondContact O-CB 3.48Å; L276-T280 VanDerWaalsContact O-CG2 3.3Å; L276-T280 WeakPolarHBondContact O-CG2 2.77Å; L276-T280 PolarHBondContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.38Å
277K71.1Confident66.2Low106 Ų10667.6 Ų67.646%0.46132%0.324SS..Hα-helixtrans-60.4-44.8169.2-75.5173.9-174.4-179.40112V110 S273 E274 K275 T280 V281V110-K277 HydrophobicContact CB-CG 4.41Å; V110-K277 HydrophobicContact CG1-CD 4.07Å; V110-K277 HydrophobicContact CG1-CG 3.56Å; V110-K277 HydrophobicContact CG2-CG 3.89Å; S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.48Å; S273-K277 PolarHBondContact O-N 2.87Å; E274-K277 WeakPolarHBondContact O-CB 3.45Å; E274-K277 PolarHBondContact O-N 2.93Å; K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 3.35Å; K277-T280 WeakPolarHBondContact CA-OG1 3.32Å; K277-T280 PolarHBondContact O-OG1 2.94Å; K277-V281 VanDerWaalsContact O-CG2 3.27Å; K277-V281 WeakPolarHBondContact O-CG2 3.22Å; K277-V281 PolarHBondContact O-N 2.79Å
278K70.6Confident63.5Low130 Ų13066.7 Ų66.757%0.56533%0.326SS*.Hα-helixtrans-65.1-39.3176.2-70.7175.7-172.9168.60111.9E274 K275 R282E274-K278 WeakPolarHBondContact O-CG 3.33Å; E274-K278 PolarHBondContact O-N 3.41Å; E274-K278 VanDerWaalsContact O-N 3.07Å; E274-K278 VanDerWaalsContact OE1-CE 3.26Å; E274-K278 WeakPolarHBondContact OE1-CE 3.35Å; E274-K278 IonicContact OE1-NZ 2.62Å; E274-K278 PolarHBondContact OE1-NZ 2.73Å; K275-K278 CarbonylContact O-C 3.54Å; K275-K278 WeakPolarHBondContact O-CA 3.34Å; K275-K278 WeakPolarHBondContact O-CB 3.49Å; K275-K278 PolarHBondContact O-N 3.25Å; K278-R282 WeakPolarHBondContact O-CB 3.43Å; K278-R282 PolarHBondContact O-N 3.27Å
279L63.8Low60.7Low25 Ų2572.5 Ų72.513%0.13135%0.348CS..Hα-helixtrans-69-42.7177.8-77.7-169.9000113.3I192 G196 K275 L276 V281 R282 Q283I192-L279 HydrophobicContact CG2-CD1 3.71Å; G196-L279 WeakPolarHBondContact O-CD1 3.33Å; G196-L279 WeakPolarHBondContact O-CG 3.45Å; K275-L279 PolarHBondContact O-N 3.2Å; L276-L279 HydrophobicContact CD2-CD1 4.33Å; L276-L279 PolarHBondContact O-N 2.84Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-R282 CarbonylContact O-C 3.56Å; L279-R282 PolarHBondContact O-N 3.22Å; L279-R282 VanDerWaalsContact O-N 3.09Å; L279-Q283 WeakPolarHBondContact O-CB 3.27Å; L279-Q283 WeakPolarHBondContact O-CG 3.42Å; L279-Q283 PolarHBondContact O-N 2.94Å
280T60.3Low58Low9 Ų974.9 Ų74.96%0.05536%0.358CS..Hα-helixtrans-60.8-46.4178410000110.4F106 D107 L276 K277 R282 Q283 Q284F106-T280 HydrophobicContact CB-CG2 3.34Å; F106-T280 HydrophobicContact CG-CG2 4.42Å; D107-T280 WeakPolarHBondContact OD1-CB 3.4Å; D107-T280 WeakPolarHBondContact OD1-CG2 3.25Å; L276-T280 WeakPolarHBondContact O-CB 3.48Å; L276-T280 VanDerWaalsContact O-CG2 3.3Å; L276-T280 WeakPolarHBondContact O-CG2 2.77Å; L276-T280 PolarHBondContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.38Å; K277-T280 WeakPolarHBondContact CA-OG1 3.32Å; K277-T280 PolarHBondContact O-OG1 2.94Å; T280-R282 VanDerWaalsContact C-N 3.35Å; T280-R282 PolarHBondContact O-N 3.37Å; T280-Q283 PolarHBondContact O-N 3.1Å; T280-Q284 VanDerWaalsContact O-CG 3.3Å; T280-Q284 WeakPolarHBondContact O-CG 3.35Å; T280-Q284 PolarHBondContact O-N 2.93Å
281V50.7Low55.4Low76 Ų7671.7 Ų71.746%0.46134%0.34SS..Hα-helixtrans-55-52.1169.5175.90000109.6K277 L279 Q283 Q284 W285K277-V281 VanDerWaalsContact O-CG2 3.27Å; K277-V281 WeakPolarHBondContact O-CG2 3.22Å; K277-V281 PolarHBondContact O-N 2.79Å; L279-V281 VanDerWaalsContact C-N 3.34Å; V281-Q283 VanDerWaalsContact C-N 3.34Å; V281-Q283 PolarHBondContact O-N 2.85Å; V281-Q284 WeakPolarHBondContact O-CB 3.47Å; V281-Q284 PolarHBondContact O-N 3.49Å; V281-W285 PolarHBondContact O-N 3.21Å
282R51.7Low52.9Low122 Ų12271.9 Ų71.946%0.4634%0.335SS..Hα-helixtrans-65.6-31-177.7-156.7172-173.9171.21.1114Y201 K278 L279 T280 W285 K286Y201-R282 VanDerWaalsContact CE2-NH1 3.32Å; Y201-R282 PolarHBondContact OH-NH1 3.05Å; Y201-R282 PolarHBondContact OH-NH2 2.74Å; K278-R282 WeakPolarHBondContact O-CB 3.43Å; K278-R282 PolarHBondContact O-N 3.27Å; L279-R282 CarbonylContact O-C 3.56Å; L279-R282 PolarHBondContact O-N 3.22Å; L279-R282 VanDerWaalsContact O-N 3.09Å; T280-R282 VanDerWaalsContact C-N 3.35Å; T280-R282 PolarHBondContact O-N 3.37Å; R282-W285 CarbonylContact O-C 3.56Å; R282-W285 WeakPolarHBondContact O-CB 3.23Å; R282-W285 PolarHBondContact O-N 3.21Å; R282-K286 PolarHBondContact O-N 3.48Å
283Q52.4Low50.4Low37 Ų3773.4 Ų73.417%0.17334%0.344CS..Hα-helixtrans-73.4-39.8175.8-77.9-175.78.400111.4Y166 L279 T280 V281 W285 K286 K287Y166-Q283 PolarHBondContact OH-NE2 3.4Å; L279-Q283 WeakPolarHBondContact O-CB 3.27Å; L279-Q283 WeakPolarHBondContact O-CG 3.42Å; L279-Q283 PolarHBondContact O-N 2.94Å; T280-Q283 PolarHBondContact O-N 3.1Å; V281-Q283 VanDerWaalsContact C-N 3.34Å; V281-Q283 PolarHBondContact O-N 2.85Å; Q283-W285 PolarHBondContact O-N 2.93Å; Q283-K286 PolarHBondContact O-N 2.78Å; Q283-K286 VanDerWaalsContact O-N 3.14Å; Q283-K287 WeakPolarHBondContact O-CG 3.49Å; Q283-K287 PolarHBondContact O-N 2.94Å
284Q48.5Very low48Very low99 Ų9973.6 Ų73.646%0.46335%0.347SS..Hα-helixtrans-57.5-41.5168.8-69.6171.511.600110.2T280 V281 A288T280-Q284 VanDerWaalsContact O-CG 3.3Å; T280-Q284 WeakPolarHBondContact O-CG 3.35Å; T280-Q284 PolarHBondContact O-N 2.93Å; V281-Q284 WeakPolarHBondContact O-CB 3.47Å; V281-Q284 PolarHBondContact O-N 3.49Å; Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 3.01Å
285W27.6Very low46Very low181 Ų18171.2 Ų71.269%0.68634%0.34SS*.Hα-helixtrans-66-38.7173.6-76.556.7000113.1V281 R282 Q283 A288 Y289V281-W285 PolarHBondContact O-N 3.21Å; R282-W285 CarbonylContact O-C 3.56Å; R282-W285 WeakPolarHBondContact O-CB 3.23Å; R282-W285 PolarHBondContact O-N 3.21Å; Q283-W285 PolarHBondContact O-N 2.93Å; W285-A288 CarbonylContact O-C 3.59Å; W285-A288 WeakPolarHBondContact O-CB 3.36Å; W285-A288 PolarHBondContact O-N 2.75Å; W285-Y289 WeakPolarHBondContact O-CB 3.46Å; W285-Y289 PolarHBondContact O-N 3.39Å
286K35.7Very low43.8Very low81 Ų8176.7 Ų76.735%0.35236%0.359SS..Hα-helixtrans-69.7-40.9175.6-79.9-171.4178.6-175.20112.3T163 R282 Q283 A288 Y289 Y290T163-K286 HydrophobicContact CG2-CD 4.29Å; R282-K286 PolarHBondContact O-N 3.48Å; Q283-K286 PolarHBondContact O-N 2.78Å; Q283-K286 VanDerWaalsContact O-N 3.14Å; K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 2.73Å; K286-Y289 PolarHBondContact O-N 2.97Å; K286-Y289 VanDerWaalsContact O-N 3.15Å; K286-Y290 HydrophobicContact CB-CD2 4.33Å; K286-Y290 HydrophobicContact CB-CE2 4.15Å; K286-Y290 WeakPolarHBondContact O-CB 3.27Å; K286-Y290 WeakPolarHBondContact O-CD2 3.36Å; K286-Y290 PolarHBondContact O-N 3.34Å
287K41.4Very low41.7Very low113 Ų11383 Ų8349%0.49139%0.391SS..Hα-helixtrans-56.6-43.8171-71.6178-170.4174.70110E104 Q283 A291E104-K287 IonicContact OE1-NZ 3.22Å; E104-K287 PolarHBondContact OE1-NZ 3.19Å; E104-K287 IonicContact OE2-NZ 2.79Å; E104-K287 PolarHBondContact OE2-NZ 2.94Å; Q283-K287 WeakPolarHBondContact O-CG 3.49Å; Q283-K287 PolarHBondContact O-N 2.94Å; K287-A291 WeakPolarHBondContact O-CB 3.4Å; K287-A291 PolarHBondContact O-N 2.9Å
288A30.7Very low40Very low54 Ų5480.1 Ų80.145%0.44638%0.38SS..Hα-helixtrans-65.7-42.9173.300000112.7Q284 W285 K286 A291 T292Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 3.01Å; W285-A288 CarbonylContact O-C 3.59Å; W285-A288 WeakPolarHBondContact O-CB 3.36Å; W285-A288 PolarHBondContact O-N 2.75Å; K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 2.73Å; A288-A291 WeakPolarHBondContact O-CB 3.26Å; A288-A291 PolarHBondContact O-N 3.3Å; A288-T292 WeakPolarHBondContact O-CG2 3.33Å; A288-T292 PolarHBondContact O-N 2.94Å
289Y29.2Very low38.3Very low129 Ų12979.1 Ų79.151%0.50638%0.377SS..Hα-helixtrans-63.9-45.2178.5-179.7-99.7000111.7W285 K286 A291 T292 T293W285-Y289 WeakPolarHBondContact O-CB 3.46Å; W285-Y289 PolarHBondContact O-N 3.39Å; K286-Y289 PolarHBondContact O-N 2.97Å; K286-Y289 VanDerWaalsContact O-N 3.15Å; Y289-A291 VanDerWaalsContact C-N 3.3Å; Y289-A291 PolarHBondContact O-N 2.99Å; Y289-T292 CarbonylContact O-C 3.55Å; Y289-T292 PolarHBondContact O-N 2.93Å; Y289-T292 VanDerWaalsContact O-N 3.09Å; Y289-T292 PolarHBondContact O-OG1 3.21Å; Y289-T293 HydrophobicContact CD1-CG2 4.32Å; Y289-T293 HydrophobicContact CE1-CG2 3.72Å; Y289-T293 HydrophobicContact CE2-CG2 4.2Å; Y289-T293 PolarHBondContact O-N 3.29Å; Y289-T293 PolarHBondContact O-OG1 3.47Å
290Y29.1Very low36.8Very low86 Ų8687.3 Ų87.334%0.33741%0.406SS..Hα-helixtrans-64-34.9173.6-69.8-55.2000112P164 K286 T293 A294P164-Y290 WeakPolarHBondContact CD-OH 3.48Å; K286-Y290 HydrophobicContact CB-CD2 4.33Å; K286-Y290 HydrophobicContact CB-CE2 4.15Å; K286-Y290 WeakPolarHBondContact O-CB 3.27Å; K286-Y290 WeakPolarHBondContact O-CD2 3.36Å; K286-Y290 PolarHBondContact O-N 3.34Å; Y290-T293 VanDerWaalsContact CA-OG1 3.25Å; Y290-T293 WeakPolarHBondContact CA-OG1 3.28Å; Y290-T293 PolarHBondContact O-OG1 3.02Å; Y290-A294 WeakPolarHBondContact O-CB 3.39Å; Y290-A294 PolarHBondContact O-N 3.36Å
291A31.3Very low35.6Very low28 Ų2892.2 Ų92.223%0.23143%0.432CS..Hα-helixtrans-61.5-45.1169.200000111.4K287 A288 Y289 V295K287-A291 WeakPolarHBondContact O-CB 3.4Å; K287-A291 PolarHBondContact O-N 2.9Å; A288-A291 WeakPolarHBondContact O-CB 3.26Å; A288-A291 PolarHBondContact O-N 3.3Å; Y289-A291 VanDerWaalsContact C-N 3.3Å; Y289-A291 PolarHBondContact O-N 2.99Å; A291-V295 WeakPolarHBondContact O-CB 3.48Å; A291-V295 WeakPolarHBondContact O-CG2 3.37Å; A291-V295 PolarHBondContact O-N 3.15Å
292T29.9Very low35.1Very low65 Ų6595.9 Ų95.940%0.39944%0.438SS..Hα-helixtrans-69.5-36.8178.365.30000113.7A288 Y289 V295 R296A288-T292 WeakPolarHBondContact O-CG2 3.33Å; A288-T292 PolarHBondContact O-N 2.94Å; Y289-T292 CarbonylContact O-C 3.55Å; Y289-T292 PolarHBondContact O-N 2.93Å; Y289-T292 VanDerWaalsContact O-N 3.09Å; Y289-T292 PolarHBondContact O-OG1 3.21Å; T292-V295 CarbonylContact O-C 3.47Å; T292-V295 PolarHBondContact O-N 3.05Å; T292-R296 WeakPolarHBondContact O-CB 3.18Å; T292-R296 WeakPolarHBondContact O-CG 3.44Å; T292-R296 PolarHBondContact O-N 3.16Å
293T28.9Very low34.7Very low33 Ų3394.7 Ų94.720%0.20244%0.44CS..Hα-helixtrans-73-37.9177.135.90000111.3Y289 Y290 V295 R296 M297Y289-T293 HydrophobicContact CD1-CG2 4.32Å; Y289-T293 HydrophobicContact CE1-CG2 3.72Å; Y289-T293 HydrophobicContact CE2-CG2 4.2Å; Y289-T293 PolarHBondContact O-N 3.29Å; Y289-T293 PolarHBondContact O-OG1 3.47Å; Y290-T293 VanDerWaalsContact CA-OG1 3.25Å; Y290-T293 WeakPolarHBondContact CA-OG1 3.28Å; Y290-T293 PolarHBondContact O-OG1 3.02Å; T293-V295 VanDerWaalsContact C-N 3.33Å; T293-R296 PolarHBondContact O-N 3.14Å; T293-M297 WeakPolarHBondContact O-CB 3.42Å; T293-M297 WeakPolarHBondContact O-CG 3.34Å; T293-M297 PolarHBondContact O-N 3.31Å
294A30.7Very low34.4Very low19 Ų1996.9 Ų96.916%0.15746%0.459CS..Hα-helixtrans-61-41.616800000111.3A31 F32 Y290 M297 L298A31-A294 HydrophobicContact CB-CB 3.43Å; A31-A294 VanDerWaalsContact CB-CB 3.43Å; F32-A294 HydrophobicContact CE2-CB 4.38Å; F32-A294 HydrophobicContact CZ-CB 3.92Å; Y290-A294 WeakPolarHBondContact O-CB 3.39Å; Y290-A294 PolarHBondContact O-N 3.36Å; A294-M297 PolarHBondContact O-N 3.38Å; A294-L298 VanDerWaalsContact O-CB 3.27Å; A294-L298 WeakPolarHBondContact O-CB 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 3.49Å
295V34.8Very low34.1Very low64 Ų6498.2 Ų98.239%0.38847%0.47SS..Hα-helixtrans-62.7-41.6172.6168.80000111.7A291 T292 T293 L298 Q299A291-V295 WeakPolarHBondContact O-CB 3.48Å; A291-V295 WeakPolarHBondContact O-CG2 3.37Å; A291-V295 PolarHBondContact O-N 3.15Å; T292-V295 CarbonylContact O-C 3.47Å; T292-V295 PolarHBondContact O-N 3.05Å; T293-V295 VanDerWaalsContact C-N 3.33Å; V295-L298 CarbonylContact O-C 3.57Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 2.8Å; V295-Q299 HydrophobicContact CG1-CG 4.4Å; V295-Q299 WeakPolarHBondContact O-CB 3.18Å; V295-Q299 VanDerWaalsContact O-CG 3.31Å; V295-Q299 WeakPolarHBondContact O-CG 3.09Å; V295-Q299 PolarHBondContact O-N 3.32Å
296R28.9Very low34.9Very low153 Ų15398 Ų9858%0.57747%0.469SS*.Hα-helixtrans-67.6-40.7176.7-76.1176.8-177.41701.7112.3T292 T293 L298 Q299 R300T292-R296 WeakPolarHBondContact O-CB 3.18Å; T292-R296 WeakPolarHBondContact O-CG 3.44Å; T292-R296 PolarHBondContact O-N 3.16Å; T293-R296 PolarHBondContact O-N 3.14Å; R296-L298 VanDerWaalsContact C-N 3.35Å; R296-Q299 PolarHBondContact O-N 3.1Å; R296-R300 PolarHBondContact O-N 3.33Å
297M29.2Very low35.5Very low134 Ų134100.6 Ų100.666%0.6649%0.487SS*.Hα-helixtrans-63.1-42.9172.2-78.5-174.5169.200110.5T293 A294 R300 L301T293-M297 WeakPolarHBondContact O-CB 3.42Å; T293-M297 WeakPolarHBondContact O-CG 3.34Å; T293-M297 PolarHBondContact O-N 3.31Å; A294-M297 PolarHBondContact O-N 3.38Å; M297-R300 PolarHBondContact O-N 3.39Å; M297-L301 VanDerWaalsContact O-CG 3.29Å; M297-L301 WeakPolarHBondContact O-CG 3.38Å; M297-L301 PolarHBondContact O-N 3.4Å
298L34.1Very low35.6Very low45 Ų4598.3 Ų98.324%0.23650%0.495CS..Hα-helixtrans-63.5-39.6173.5-78.2176.2000112.6F32 L57 A294 V295 R296 L301 Y302F32-L298 HydrophobicContact CD1-CD1 4Å; F32-L298 HydrophobicContact CE1-CD1 3.55Å; F32-L298 HydrophobicContact CE1-CD2 3.99Å; F32-L298 HydrophobicContact CE1-CG 3.86Å; L57-L298 HydrophobicContact CD2-CD1 4.11Å; L57-L298 HydrophobicContact CD2-CD2 4.49Å; A294-L298 VanDerWaalsContact O-CB 3.27Å; A294-L298 WeakPolarHBondContact O-CB 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 3.49Å; V295-L298 CarbonylContact O-C 3.57Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 2.8Å; R296-L298 VanDerWaalsContact C-N 3.35Å; L298-L301 PolarHBondContact O-N 3.45Å; L298-Y302 WeakPolarHBondContact O-CB 3.41Å; L298-Y302 PolarHBondContact O-N 2.83Å
299Q35.6Very low35.9Very low109 Ų109100.1 Ų100.151%0.50950%0.504SS..Hα-helixtrans-65-41.1175.5-79.2176.1-14.900110.7V295 R296 Y302 I303V295-Q299 HydrophobicContact CG1-CG 4.4Å; V295-Q299 WeakPolarHBondContact O-CB 3.18Å; V295-Q299 VanDerWaalsContact O-CG 3.31Å; V295-Q299 WeakPolarHBondContact O-CG 3.09Å; V295-Q299 PolarHBondContact O-N 3.32Å; R296-Q299 PolarHBondContact O-N 3.1Å; Q299-Y302 PolarHBondContact O-N 2.79Å; Q299-I303 WeakPolarHBondContact O-CB 3.33Å; Q299-I303 WeakPolarHBondContact O-CD1 3.36Å; Q299-I303 WeakPolarHBondContact O-CG1 3.17Å; Q299-I303 PolarHBondContact O-N 2.7Å
300R31.6Very low36.1Very low196 Ų19699.5 Ų99.574%0.7452%0.519SS*.Hα-helixtrans-62.7-44.9172.2-78.5-175179.7176.40.1111.9R296 M297 Y302 I303 S304R296-R300 PolarHBondContact O-N 3.33Å; M297-R300 PolarHBondContact O-N 3.39Å; R300-Y302 VanDerWaalsContact C-N 3.31Å; R300-Y302 PolarHBondContact O-N 3.44Å; R300-I303 PolarHBondContact O-N 2.74Å; R300-S304 WeakPolarHBondContact O-CB 3.44Å; R300-S304 PolarHBondContact O-N 3.35Å; R300-S304 PolarHBondContact O-OG 3Å
301L36.1Very low36.4Very low113 Ų11399.8 Ų99.859%0.59254%0.539SS*.Hα-helixtrans-64.7-35.7175.8-69.3172.3000112.2M297 L298 N305M297-L301 VanDerWaalsContact O-CG 3.29Å; M297-L301 WeakPolarHBondContact O-CG 3.38Å; M297-L301 PolarHBondContact O-N 3.4Å; L298-L301 PolarHBondContact O-N 3.45Å; L301-N305 WeakPolarHBondContact O-CB 3.39Å; L301-N305 PolarHBondContact O-N 3.16Å
302Y40.2Very low36.3Very low152 Ų152110.4 Ų110.460%0.59657%0.573SS**Hα-helixtrans-70.7-39.9176.7-175.5-102.1000112L298 Q299 R300 N305 R306L298-Y302 WeakPolarHBondContact O-CB 3.41Å; L298-Y302 PolarHBondContact O-N 2.83Å; Q299-Y302 PolarHBondContact O-N 2.79Å; R300-Y302 VanDerWaalsContact C-N 3.31Å; R300-Y302 PolarHBondContact O-N 3.44Å; Y302-N305 PolarHBondContact O-N 3.09Å; Y302-R306 PolarHBondContact O-N 3.28Å
303I42.4Very low36.3Very low98 Ų98112 Ų11250%0.50359%0.587SS.*Hα-helixtrans-67.8-47175-68164.5000110.2Q299 R300 N305 R306 D307Q299-I303 WeakPolarHBondContact O-CB 3.33Å; Q299-I303 WeakPolarHBondContact O-CD1 3.36Å; Q299-I303 WeakPolarHBondContact O-CG1 3.17Å; Q299-I303 PolarHBondContact O-N 2.7Å; R300-I303 PolarHBondContact O-N 2.74Å; I303-N305 VanDerWaalsContact C-N 3.27Å; I303-N305 PolarHBondContact O-N 2.79Å; I303-R306 WeakPolarHBondContact O-CA 2.92Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.01Å; I303-D307 PolarHBondContact O-N 2.71Å; I303-D307 VanDerWaalsContact O-N 3.09Å
304S46.5Very low36.5Very low82 Ų82117.7 Ų117.757%0.57362%0.616SS**Hα-helixtrans-59.8-35175.9-75.60000113R300 R306 G308R300-S304 WeakPolarHBondContact O-CB 3.44Å; R300-S304 PolarHBondContact O-N 3.35Å; R300-S304 PolarHBondContact O-OG 3Å; S304-R306 VanDerWaalsContact C-N 3.26Å; S304-R306 PolarHBondContact O-N 3.09Å; S304-G308 PolarHBondContact O-N 3.34Å
305N43.2Very low36.4Very low127 Ų127124.5 Ų124.568%0.67965%0.65SS**Hα-helixtrans-70.2-22.3174.1-101.9-5.8000113.6L301 Y302 I303 S309L301-N305 WeakPolarHBondContact O-CB 3.39Å; L301-N305 PolarHBondContact O-N 3.16Å; Y302-N305 PolarHBondContact O-N 3.09Å; I303-N305 VanDerWaalsContact C-N 3.27Å; I303-N305 PolarHBondContact O-N 2.79Å; N305-S309 PolarHBondContact O-OG 2.87Å
306R43.3Very low36.2Very low178 Ų178125.4 Ų125.467%0.67266%0.664SS**Hα-helixtrans-83.3-36.8178-152.1177173.5-173.1-4.3111.7Y302 I303 S304 G308 S309Y302-R306 PolarHBondContact O-N 3.28Å; I303-R306 WeakPolarHBondContact O-CA 2.92Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.01Å; S304-R306 VanDerWaalsContact C-N 3.26Å; S304-R306 PolarHBondContact O-N 3.09Å; R306-G308 PolarHBondContact O-N 3.26Å; R306-S309 PolarHBondContact O-N 3.08Å
307D48Very low36.1Very low135 Ų135126.9 Ų126.972%0.72268%0.677SS**Hα-helixtrans-69.1-20.5173.2-69.7-20.7000112.4I303I303-D307 PolarHBondContact O-N 2.71Å; I303-D307 VanDerWaalsContact O-N 3.09Å
308G44.7Very low36.2Very low65 Ų65129.9 Ų129.967%0.6769%0.69SS**THydrogen-bonded Turntrans-82.8-6.5174.100000116.3S304 R306S304-G308 PolarHBondContact O-N 3.34Å; R306-G308 PolarHBondContact O-N 3.26Å
309S37Very low35.9Very low91 Ų91136.8 Ų136.864%0.63672%0.721SS**SBendtrans-1186.6-171.838.90000116.4N305 R306N305-S309 PolarHBondContact O-OG 2.87Å; R306-S309 PolarHBondContact O-N 3.08Å
310S33Very low36.5Very low117 Ų117136.8 Ų136.882%0.81873%0.731SS**SBendtrans-112.155.1167.5-82.80000112.1
311A34.5Very low36.4Very low92 Ų92139 Ų13976%0.7674%0.739SS**  trans-137.262.7168.200000110.4
312R29.9Very low36Very low250 Ų250138.3 Ų138.394%0.94374%0.743SS**  trans-149.471.9166.3-146.6166-172.7176.31.2111.3
313S30.7Very low35.4Very low100 Ų100135.6 Ų135.670%0.69975%0.747SS**SBendtrans-161.9117.1157.5178.60000110.3
314N32.4Very low34.6Very low151 Ų151138 Ų13881%0.80776%0.76SS**  trans81.999.9151.9-58.7-6.4000120.2
315N28.9Very low33.6Very low163 Ų163139.1 Ų139.187%0.87276%0.764SS**  trans-13129139.7-68.9-18.6000115.9
316A29.3Very low32.8Very low82 Ų82138.9 Ų138.968%0.67876%0.763SS**  158.2127.996.600000110.5
317Q27.8Very low32Very low184 Ų184138.5 Ų138.586%0.8677%0.769SS**  trans49.3110.7148.9-61.5178.4-6400119
318E30.5Very low31.1Very low197 Ų197141.1 Ų141.192%0.92178%0.777SS**  -177.2140.7105.2-97.6176.4178.200111.3
319E28.6Very low30.2Very low191 Ų191147.2 Ų147.289%0.89379%0.788SS**  trans-86.5175.7-176.2-110.1-161.6177.500112.1
320P47.1Very low30Very low109 Ų109147.3 Ų147.371%0.70879%0.794SS**  -107.5158.2-128.640.3-33.8000114.8
321R30.2Very low29.6Very low241 Ų241146.8 Ų146.891%0.90979%0.791SS**  trans-140.6111.9160.8-87-170.9176.8-178-1.3113.3
322S28Very low29.5Very low99 Ų99149.1 Ų149.169%0.69280%0.796SS**  trans50126.5130.164.60000122.5
323S27.3Very low29.3Very low95 Ų95146 Ų14666%0.66479%0.789SS**  91124.1123.166.90000121.4
324N26Very low29.3Very low148 Ų148152.3 Ų152.379%0.79180%0.797SS**  trans67.6142.4137.5-71.11.8000117.1
325T26.2Very low29.3Very low106 Ų106151.3 Ų151.365%0.6580%0.797SS**  cis178.8162.110.6170000107
326N26.2Very low29.1Very low123 Ų123152.4 Ų152.466%0.65880%0.797SS**  trans76.3112.4150.9-63.12.8000118.3
327E25.5Very low29.2Very low169 Ų169152.7 Ų152.779%0.7980%0.799SS**  69.9115.887.8-72.1-178.6164.900112.8
328E28.3Very low29.2Very low190 Ų190152.2 Ų152.289%0.88880%0.797SS**  171.5141.8106.6-103.5-176.6154.800112.3
329E26.6Very low29.2Very low193 Ų193150.8 Ų150.890%0.90279%0.794SS**  trans-68.7148.9174.4-61.5173.5129.900112.3
330A32.4Very low29.3Very low94 Ų94147.7 Ų147.778%0.77778%0.783SS**  trans-141.497.9162.400000111.8
331S26Very low28.5Very low106 Ų106147.2 Ų147.274%0.74178%0.783SS**  trans-36.7133.4157.3161.80000113.9
332T31.9Very low28.5Very low141 Ų141142.5 Ų142.587%0.86578%0.78SS**  trans-128.696.5163.7-49.10000110
333K26.2Very low28.6Very low184 Ų184145.4 Ų145.480%0.879%0.788SS**  trans-84.2138.7159.2-73.5178.9174.3-179.90109.1
334R30.1Very low28.8Very low233 Ų233144.3 Ų144.388%0.87979%0.791SS**  trans170.7104.3144.9-98.5166.4-173.4-166.32.2110.5
335T31.2Very low28.9Very low129 Ų129144.5 Ų144.579%0.79179%0.793SS**  88.9113.591.449.30000113.8
336E25Very low29.3Very low187 Ų187145 Ų14587%0.87480%0.798SS**  trans-55.4145.2163.6-61154149.400112
337A32.5Very low29.6Very low88 Ų88143.9 Ų143.973%0.72781%0.805SS**  trans-157.3105.3158.300000109.9
338E27.5Very low30Very low173 Ų173140 Ų14081%0.80880%0.802SS**  trans35.1108.9137.4-63.9177.7153.400118.9
339I31.2Very low30.3Very low168 Ų168139.4 Ų139.486%0.86280%0.804SS**  trans-104.295.2157.1-60.9175.7000107.1
340N30.3Very low30.5Very low125 Ų125136.5 Ų136.567%0.66880%0.8SS**  trans-80.1137.8170.2-91.8-37.8000111.2
341S28.8Very low30.5Very low100 Ų100135.5 Ų135.570%0.69980%0.799SS**  trans-6.3119.5161.555.90000118
342V32.1Very low30.9Very low142 Ų142137.6 Ų137.686%0.86181%0.807SS**  trans-107.493.3157.2178.30000107.7
343D28.9Very low30.6Very low160 Ų160140.3 Ų140.386%0.85681%0.81SS**  trans-76.2120.5161.3-87.3-41.8000108.7
344G31.4Very low31.4Very low71 Ų71140.1 Ų140.173%0.73284%0.843SS**  trans-144.776.2-176.500000111.4
345N27.6Very low31.4Very low153 Ų153135.5 Ų135.582%0.81884%0.841SS**  trans-26.9130.8174.4-164.68.4000117
346P36Very low31.5Very low116 Ų116135.8 Ų135.875%0.75384%0.844SS**  trans-76.8123.7177.829.4-33000112.6A348P346-A348 PolarHBondContact O-N 3.04Å
347A32.5Very low31.8Very low99 Ų99132.9 Ų132.982%0.81884%0.842SS**  trans-69.4110.9174.600000111.2L349A347-L349 PolarHBondContact O-N 3.08Å
348A34.2Very low31.8Very low87 Ų87135.6 Ų135.672%0.71985%0.849SS**  trans-69.7113.1169.300000110.6P346 T350P346-A348 PolarHBondContact O-N 3.04Å; A348-T350 PolarHBondContact O-N 3.22Å
349L33.7Very low32.1Very low178 Ų178133.3 Ų133.393%0.93285%0.851SS**  trans-85.692.3163.9-77.7162.8000108.1A347A347-L349 PolarHBondContact O-N 3.08Å
350T31.5Very low32.1Very low132 Ų132130.9 Ų130.981%0.8185%0.851SS**  trans-125.8131.1166.156.50000108.1A348A348-T350 PolarHBondContact O-N 3.22Å
351G31.4Very low32.2Very low74 Ų74131.4 Ų131.476%0.76386%0.864SS**  trans138.477.917100000113.8
352T35.2Very low32.5Very low150 Ų150133.8 Ų133.892%0.9288%0.876SS**  trans-13488.8152.3-21.90000106.9
353Q25.9Very low32.5Very low197 Ų197133.1 Ų133.192%0.92188%0.877SS**  trans-117.5112.1162.6-84.6-173.4-0.100107
354A42.2Very low32.9Very low180 Ų180130.6 Ų130.6100%1.48888%0.879SS**  trans179.30141.800000107.4

Retrieved 354 of 354 residues in 100.1 ms (Link to these results)

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