A0A5K4FAM2_SCHMA Loading...

inositol-polyphosphate 5-phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,228 aa.

						>A0A5K4FAM2_SCHMA|A0A5K4FAM2
MDLPHYILKCGKVVQSYLDSHVNKQDLRDDYCVLVFPVNILNNRSRTETIVSVVQNRSSDKSALFIFSRAKNLISDQSDIPALIDLIVLDEDFSCEATESGICLLVTGKRLVNISADEKKRTNQQLKLYVVSNRDNDSLHPKVNNTSDIDSDNETYSKNPVFLKSLKSDYQKPIDKENIQFSSVNFTLEFNNVDDAMEFRKKTLHLSSGYRTKLSEFNCAKSSKERTTYEMGKEALAVLNSSSFEQSFWLQKYWKEMKQTTTSSSVINTPRPGVNITSFAGLNGDNKLHHRHLSGSLPHSNSNGTSSISETINMNSSSCSSIGSFNNNNKNNTTNDSNNSNNSSVKITRQNEIDKLHTSNINDNNNNTNNSCYNKMKLKRSVKHSTGLRHSQSSSILYPYTLNHSHDNDNLLSNSLNDRSFPLTRKNSLSNPLDVAIPLSNDLHCTVTSAHSCADLTSDSTIHDDQSSKNKNEYLEPRVFRARFNQAGNIIQRKLIERMHEYSKIKKIHIYVGTWNVNGRSDTNGNMQLDNWLISPDGQPPADIYVFGFQEMDLSFSVITLNKTSSTGPEERWIQQLEEALGGLLKRPSSHSVWAHRTGSVKSYAAQWSHHTGGGYLRVERVRLAGIIMVVYISARLSAHLRREEISCQVVPTGVFNVMGNKGGVGIRLTIFNSSLCFVNCHLAAGEANLDRRNQDFREITRKMLFEFPMNSKNSIQSSEKAFISDHDIIFVFGDLNYRISGLDSPSVRKSIFEKDFSSLLKYDELLKLMENRNLFDGFHEPIINFAPTYKFDMNSNVYDSSDKNRVPSYCDRIIWSGDGCKPIIYRSHPEFVCSDHKPVSAYFSVDLRRIIRSAFQRAYESVLLSIDLTTNLSLPQAELDRQELDFGCVHFHELCSQSLTLTNIGLNDFQFKFLREGVGSFPLWLTVNPSCDTVKQGNSIKLEFQIFVNYKEVYALNSGTIQLSTIVVLQLEDGKDYFISINAQFIPTSFGLPLILLLSLESEPVNKLSINELHEQIKLARSENSDYFKTKLCSLVDRKPFHVPKEIFRLVNHINEYITEPDLFRQMGPSSDIGIIRDILDTTPANCPFPETISVHSITSCLLLFLNTLPESVIPQEFHEKCFNSLANFESAVQALQHLPICNQNLFYYLITFMQRCLTFKEQNGTDIDLLAPCFGEIFFFESSSNTTTAQKHAVAMKQLKRAAFISIFLRQNYFISNPSLMSTSQH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	44.7	Very low	58	Low	109 Å²	109	55.1 Å²	55.1	54%	0.537	30%	0.295	S	S	.	.				0	161.6	0	-80.6	179	175.6	0	0	110.3	H5 D79	M1-H5 PolarHBondContact SD-CD2 2.58Å; M1-D79 HydrophobicContact CE-CB 3.75Å; M1-D79 HydrophobicContact CG-CB 4.22Å; M1-D79 VanDerWaalsContact CG-OD2 3.3Å; M1-D79 WeakPolarHBondContact CG-OD2 3.47Å; M1-D79 PolarHBondContact N-OD2 3.01Å; M1-D79 HydrophobicContact SD-CB 3.6Å
2	D	55.1	Low	58.6	Low	99 Å²	99	62.8 Å²	62.8	53%	0.529	32%	0.324	S	S	.	.			trans	-58.3	131.9	159.8	-68.2	-44	0	0	0	109.5	P4 H5	D2-P4 VanDerWaalsContact C-CD 3.4Å; D2-P4 VanDerWaalsContact C-N 3.28Å; D2-H5 PolarHBondContact O-N 2.96Å
3	L	54	Low	58.9	Low	62 Å²	62	61.5 Å²	61.5	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-49.4	-40.3	179.2	179.8	65.6	0	0	0	113.4	H5 Y6 I7 P37 I50	L3-H5 VanDerWaalsContact C-N 3.33Å; L3-H5 PolarHBondContact O-N 2.8Å; L3-Y6 HydrophobicContact CD1-CD1 4.39Å; L3-Y6 WeakPolarHBondContact O-CB 3.5Å; L3-Y6 PolarHBondContact O-N 3.06Å; L3-I7 HydrophobicContact CD1-CG1 4.45Å; L3-I7 HydrophobicContact CG-CD1 3.99Å; L3-I7 HydrophobicContact CG-CG1 4.38Å; L3-I7 WeakPolarHBondContact O-CG1 3.42Å; L3-I7 PolarHBondContact O-N 2.96Å; L3-P37 HydrophobicContact CD2-CB 4.39Å; L3-P37 HydrophobicContact CD2-CG 4.35Å; L3-I50 HydrophobicContact CD1-CD1 4.01Å
4	P	55.8	Low	59.1	Low	34 Å²	34	57.3 Å²	57.3	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-49.7	-42.4	171.9	-33.3	37.5	0	0	0	116	D2 Y6 L8 L250	D2-P4 VanDerWaalsContact C-CD 3.4Å; D2-P4 VanDerWaalsContact C-N 3.28Å; P4-Y6 VanDerWaalsContact C-N 3.33Å; P4-L8 PolarHBondContact O-N 2.99Å; P4-L8 VanDerWaalsContact O-N 3.1Å; P4-L250 HydrophobicContact CB-CB 4.09Å; P4-L250 HydrophobicContact CB-CD1 3.86Å; P4-L250 HydrophobicContact CB-CG 4.43Å; P4-L250 HydrophobicContact CG-CB 3.79Å; P4-L250 HydrophobicContact CG-CD1 4.24Å; P4-L250 HydrophobicContact CG-CD2 4.24Å; P4-L250 HydrophobicContact CG-CG 4.31Å
5	H	60.6	Low	59.2	Low	93 Å²	93	58.5 Å²	58.5	43%	0.431	30%	0.302	S	S	.	.	H	α-helix	trans	-74	-28.9	-179.5	-171	98.5	0	0	0	111.7	M1 D2 L3 K9	M1-H5 PolarHBondContact SD-CD2 2.58Å; D2-H5 PolarHBondContact O-N 2.96Å; L3-H5 VanDerWaalsContact C-N 3.33Å; L3-H5 PolarHBondContact O-N 2.8Å; H5-K9 WeakPolarHBondContact NE2-CE 3.33Å; H5-K9 PolarHBondContact O-N 2.81Å
6	Y	59.6	Low	59.4	Low	12 Å²	12	59.7 Å²	59.7	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-73.5	-42.7	175.4	-174.5	-113.5	0	0	0	111.2	L3 P4 L8 K9 C10 I50 S68 R69 P81	L3-Y6 HydrophobicContact CD1-CD1 4.39Å; L3-Y6 WeakPolarHBondContact O-CB 3.5Å; L3-Y6 PolarHBondContact O-N 3.06Å; P4-Y6 VanDerWaalsContact C-N 3.33Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 2.73Å; Y6-K9 PolarHBondContact O-N 3.46Å; Y6-K9 VanDerWaalsContact O-N 3.11Å; Y6-C10 PolarHBondContact O-N 2.82Å; Y6-C10 PolarHBondContact O-SG 2.78Å; Y6-C10 VanDerWaalsContact O-SG 3.42Å; Y6-I50 HydrophobicContact CD1-CD1 3.4Å; Y6-I50 HydrophobicContact CD1-CG1 4.14Å; Y6-I50 HydrophobicContact CE1-CB 4.45Å; Y6-I50 HydrophobicContact CE1-CD1 3.65Å; Y6-I50 HydrophobicContact CE1-CG1 3.94Å; Y6-I50 HydrophobicContact CG-CD1 4.46Å; Y6-S68 PolarHBondContact OH-O 3.08Å; Y6-R69 HydrophobicContact CE1-CB 4.44Å; Y6-R69 HydrophobicContact CE2-CB 4.39Å; Y6-R69 HydrophobicContact CE2-CG 4.21Å; Y6-R69 VanDerWaalsContact OH-CA 3.26Å; Y6-R69 WeakPolarHBondContact OH-CA 3.48Å; Y6-R69 PolarHBondContact OH-N 3.46Å; Y6-P81 HydrophobicContact CD2-CB 4.43Å; Y6-P81 HydrophobicContact CE2-CB 3.6Å; Y6-P81 HydrophobicContact CE2-CG 4.26Å
7	I	59.3	Low	59.5	Low	33 Å²	33	59.2 Å²	59.2	17%	0.169	31%	0.31	C	S	.	.	H	α-helix	trans	-52.9	-48.7	169.3	-70.1	165	0	0	0	111.2	L3 K9 C10 G11 V35 I50 L250	L3-I7 HydrophobicContact CD1-CG1 4.45Å; L3-I7 HydrophobicContact CG-CD1 3.99Å; L3-I7 HydrophobicContact CG-CG1 4.38Å; L3-I7 WeakPolarHBondContact O-CG1 3.42Å; L3-I7 PolarHBondContact O-N 2.96Å; I7-K9 PolarHBondContact O-N 2.61Å; I7-C10 WeakPolarHBondContact O-CB 3.23Å; I7-C10 PolarHBondContact O-N 2.9Å; I7-G11 PolarHBondContact O-N 2.98Å; I7-V35 HydrophobicContact CG1-CG1 4.1Å; I7-V35 HydrophobicContact CG2-CB 4.46Å; I7-V35 HydrophobicContact CG2-CG1 4.13Å; I7-V35 HydrophobicContact CG2-CG2 4.44Å; I7-I50 HydrophobicContact CB-CD1 4.46Å; I7-I50 HydrophobicContact CG1-CD1 3.6Å; I7-L250 HydrophobicContact CD1-CD1 4.47Å; I7-L250 HydrophobicContact CD1-CD2 4.08Å
8	L	62.1	Low	59.4	Low	80 Å²	80	56.5 Å²	56.5	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-31.2	-179.5	-160.7	82	0	0	0	112.6	P4 Y6 K12	P4-L8 PolarHBondContact O-N 2.99Å; P4-L8 VanDerWaalsContact O-N 3.1Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 2.73Å; L8-K12 PolarHBondContact O-N 3Å
9	K	63.8	Low	59.4	Low	49 Å²	49	57.8 Å²	57.8	21%	0.213	30%	0.304	C	S	.	.	H	α-helix	trans	-74.4	-39	172.6	-69.4	-177.6	-173.6	176.3	0	112.2	H5 Y6 I7 G11 K12 V13 D79 P81	H5-K9 WeakPolarHBondContact NE2-CE 3.33Å; H5-K9 PolarHBondContact O-N 2.81Å; Y6-K9 PolarHBondContact O-N 3.46Å; Y6-K9 VanDerWaalsContact O-N 3.11Å; I7-K9 PolarHBondContact O-N 2.61Å; K9-G11 VanDerWaalsContact C-N 3.31Å; K9-G11 PolarHBondContact O-N 3Å; K9-K12 PolarHBondContact O-N 2.99Å; K9-K12 VanDerWaalsContact O-N 3.16Å; K9-V13 PolarHBondContact O-N 2.98Å; K9-D79 VanDerWaalsContact CD-O 3.27Å; K9-D79 WeakPolarHBondContact CD-O 3.35Å; K9-D79 PolarHBondContact NZ-O 2.8Å; K9-P81 HydrophobicContact CB-CG 3.65Å
10	C	61.2	Low	59.4	Low	2 Å²	2	58.9 Å²	58.9	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-46.1	174.7	-63.3	0	0	0	0	110.4	Y6 I7 K12 V13 V14 I50 F67 P81	Y6-C10 PolarHBondContact O-N 2.82Å; Y6-C10 PolarHBondContact O-SG 2.78Å; Y6-C10 VanDerWaalsContact O-SG 3.42Å; I7-C10 WeakPolarHBondContact O-CB 3.23Å; I7-C10 PolarHBondContact O-N 2.9Å; C10-K12 VanDerWaalsContact C-N 3.3Å; C10-K12 PolarHBondContact O-N 2.83Å; C10-V13 PolarHBondContact O-N 3.1Å; C10-V14 WeakPolarHBondContact O-CG2 3.31Å; C10-V14 PolarHBondContact O-N 3.35Å; C10-I50 HydrophobicContact CB-CG2 4.33Å; C10-F67 HydrophobicContact CB-CD2 4.06Å; C10-F67 HydrophobicContact CB-CE2 4.16Å; C10-F67 HydrophobicContact CB-CG 4.31Å; C10-P81 WeakPolarHBondContact SG-CB 3.48Å
11	G	62.2	Low	59.1	Low	33 Å²	33	58.5 Å²	58.5	34%	0.34	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-38	175.1	0	0	0	0	0	113.7	I7 K9 V14 Q15	I7-G11 PolarHBondContact O-N 2.98Å; K9-G11 VanDerWaalsContact C-N 3.31Å; K9-G11 PolarHBondContact O-N 3Å; G11-V14 PolarHBondContact O-N 2.96Å; G11-Q15 WeakPolarHBondContact O-CB 3.5Å; G11-Q15 PolarHBondContact O-N 3.47Å
12	K	64.6	Low	59.5	Low	148 Å²	148	54.9 Å²	54.9	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-68.5	-34	173.8	-73.3	-178	178	-173	0	113.5	L8 K9 C10 S16	L8-K12 PolarHBondContact O-N 3Å; K9-K12 PolarHBondContact O-N 2.99Å; K9-K12 VanDerWaalsContact O-N 3.16Å; C10-K12 VanDerWaalsContact C-N 3.3Å; C10-K12 PolarHBondContact O-N 2.83Å; K12-S16 VanDerWaalsContact O-CB 3.3Å; K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.3Å
13	V	63.1	Low	59.3	Low	45 Å²	45	55.2 Å²	55.2	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-40.5	174.6	179.2	0	0	0	0	110.7	K9 C10 S16 Y17 F67 P81	K9-V13 PolarHBondContact O-N 2.98Å; C10-V13 PolarHBondContact O-N 3.1Å; V13-S16 PolarHBondContact O-N 3.06Å; V13-Y17 PolarHBondContact O-N 3.49Å; V13-F67 HydrophobicContact CB-CE1 3.95Å; V13-F67 HydrophobicContact CB-CZ 4.43Å; V13-F67 HydrophobicContact CG1-CE1 3.73Å; V13-F67 HydrophobicContact CG1-CZ 4.39Å; V13-P81 HydrophobicContact CG2-CG 4.23Å
14	V	60.9	Low	59.1	Low	3 Å²	3	60.4 Å²	60.4	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-52.2	170.9	172.4	0	0	0	0	110.6	C10 G11 S16 Y17 L18 V54 F65 F67	C10-V14 WeakPolarHBondContact O-CG2 3.31Å; C10-V14 PolarHBondContact O-N 3.35Å; G11-V14 PolarHBondContact O-N 2.96Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.35Å; V14-Y17 WeakPolarHBondContact O-CB 3.42Å; V14-Y17 PolarHBondContact O-N 3.29Å; V14-Y17 VanDerWaalsContact O-N 3.07Å; V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CG 2.99Å; V14-L18 PolarHBondContact O-N 2.85Å; V14-V54 HydrophobicContact CG1-CG1 4.49Å; V14-V54 HydrophobicContact CG1-CG2 3.61Å; V14-V54 HydrophobicContact CG2-CG2 4.49Å; V14-F65 HydrophobicContact CG2-CB 4.42Å; V14-F65 HydrophobicContact CG2-CD1 4.28Å; V14-F65 HydrophobicContact CG2-CG 4.21Å; V14-F67 HydrophobicContact CG2-CE2 3.85Å; V14-F67 HydrophobicContact CG2-CZ 3.64Å
15	Q	60.9	Low	58.7	Low	76 Å²	76	66.8 Å²	66.8	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-43.7	-179.9	-167.8	64.9	49.4	0	0	111.5	G11 Y17 L18 D19	G11-Q15 WeakPolarHBondContact O-CB 3.5Å; G11-Q15 PolarHBondContact O-N 3.47Å; Q15-Y17 PolarHBondContact O-N 3.37Å; Q15-L18 PolarHBondContact O-N 2.99Å; Q15-D19 PolarHBondContact NE2-OD1 3.49Å; Q15-D19 VanDerWaalsContact O-CB 3.24Å; Q15-D19 WeakPolarHBondContact O-CB 3.43Å; Q15-D19 PolarHBondContact O-N 3.05Å
16	S	63	Low	58	Low	77 Å²	77	65.8 Å²	65.8	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-25.8	176.7	-173.6	0	0	0	0	113.7	K12 V13 V14 S20	K12-S16 VanDerWaalsContact O-CB 3.3Å; K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.3Å; V13-S16 PolarHBondContact O-N 3.06Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.35Å; S16-S20 PolarHBondContact O-OG 3.05Å
17	Y	60.1	Low	57.2	Low	52 Å²	52	66.5 Å²	66.5	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-74	-50.6	171.6	178.3	-92.9	0	0	0	110.6	V13 V14 Q15 D19 S20 H21 F65 L86 L128	V13-Y17 PolarHBondContact O-N 3.49Å; V14-Y17 WeakPolarHBondContact O-CB 3.42Å; V14-Y17 PolarHBondContact O-N 3.29Å; V14-Y17 VanDerWaalsContact O-N 3.07Å; Q15-Y17 PolarHBondContact O-N 3.37Å; Y17-D19 PolarHBondContact O-N 3.46Å; Y17-S20 PolarHBondContact O-N 3.48Å; Y17-S20 VanDerWaalsContact O-N 3.17Å; Y17-S20 PolarHBondContact O-OG 2.92Å; Y17-H21 AromaticContact CD2-CE1 3.66Å; Y17-H21 AromaticContact CD2-ND1 3.81Å; Y17-H21 AromaticContact CD2-NE2 3.89Å; Y17-H21 HydrophobicContact CE1-CB 4.33Å; Y17-H21 AromaticContact CE2-CD2 3.46Å; Y17-H21 VanDerWaalsContact CE2-CD2 3.46Å; Y17-H21 WeakPolarHBondContact CE2-CD2 3.33Å; Y17-H21 AromaticContact CE2-CE1 3.59Å; Y17-H21 AromaticContact CE2-CG 3.82Å; Y17-H21 AromaticContact CE2-ND1 3.86Å; Y17-H21 AromaticContact CE2-NE2 3.31Å; Y17-H21 VanDerWaalsContact CE2-NE2 3.31Å; Y17-H21 WeakPolarHBondContact CE2-NE2 3.49Å; Y17-H21 AromaticContact CZ-CD2 3.54Å; Y17-H21 AromaticContact CZ-CG 3.85Å; Y17-H21 AromaticContact CZ-NE2 3.92Å; Y17-H21 WeakPolarHBondContact O-CB 3.47Å; Y17-H21 PolarHBondContact O-N 2.78Å; Y17-H21 PolarHBondContact O-ND1 2.99Å; Y17-F65 AromaticContact CD1-CE1 3.55Å; Y17-F65 HydrophobicContact CD1-CE1 3.55Å; Y17-F65 AromaticContact CD1-CZ 3.59Å; Y17-F65 HydrophobicContact CD1-CZ 3.59Å; Y17-F65 AromaticContact CE1-CE1 3.97Å; Y17-F65 HydrophobicContact CE1-CE1 3.97Å; Y17-F65 AromaticContact CE1-CZ 3.82Å; Y17-F65 HydrophobicContact CE1-CZ 3.82Å; Y17-F65 AromaticContact CG-CE1 3.93Å; Y17-F65 HydrophobicContact CG-CE1 3.93Å; Y17-F65 HydrophobicContact CG-CZ 4.42Å; Y17-L86 HydrophobicContact CE1-CD2 4.15Å; Y17-L86 HydrophobicContact CE2-CD2 4.29Å; Y17-L86 WeakPolarHBondContact OH-CD2 3.48Å; Y17-L128 HydrophobicContact CE2-CD1 4.34Å
18	L	58.6	Low	56.6	Low	10 Å²	10	75.7 Å²	75.7	5%	0.052	38%	0.38	C	S	.	.	H	α-helix	trans	-57.1	-50	176.3	-63.5	172.9	0	0	0	111.2	V14 Q15 S20 H21 V22 L27 D30 V54	V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CG 2.99Å; V14-L18 PolarHBondContact O-N 2.85Å; Q15-L18 PolarHBondContact O-N 2.99Å; L18-S20 PolarHBondContact O-N 2.89Å; L18-H21 PolarHBondContact O-N 3.09Å; L18-H21 VanDerWaalsContact O-N 3.09Å; L18-V22 HydrophobicContact CD2-CG2 4.15Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 PolarHBondContact O-N 3.49Å; L18-L27 HydrophobicContact CB-CD2 3.69Å; L18-D30 HydrophobicContact CD1-CB 4.2Å; L18-V54 HydrophobicContact CD1-CG1 4.14Å; L18-V54 HydrophobicContact CD2-CG1 4.41Å
19	D	59.2	Low	55.9	Low	82 Å²	82	75.9 Å²	75.9	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-56.7	-16.6	179	-73.2	-5.9	0	0	0	114.6	Q15 Y17	Q15-D19 PolarHBondContact NE2-OD1 3.49Å; Q15-D19 VanDerWaalsContact O-CB 3.24Å; Q15-D19 WeakPolarHBondContact O-CB 3.43Å; Q15-D19 PolarHBondContact O-N 3.05Å; Y17-D19 PolarHBondContact O-N 3.46Å
20	S	59.1	Low	55.2	Low	78 Å²	78	74.4 Å²	74.4	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-114.5	-11.6	-179.6	55.1	0	0	0	0	114.6	S16 Y17 L18	S16-S20 PolarHBondContact O-OG 3.05Å; Y17-S20 PolarHBondContact O-N 3.48Å; Y17-S20 VanDerWaalsContact O-N 3.17Å; Y17-S20 PolarHBondContact O-OG 2.92Å; L18-S20 PolarHBondContact O-N 2.89Å
21	H	52.3	Low	54.9	Low	51 Å²	51	78.3 Å²	78.3	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-120.5	-16.4	-175.7	-66.9	60.8	0	0	0	113.5	Y17 L18 V130	Y17-H21 AromaticContact CD2-CE1 3.66Å; Y17-H21 AromaticContact CD2-ND1 3.81Å; Y17-H21 AromaticContact CD2-NE2 3.89Å; Y17-H21 HydrophobicContact CE1-CB 4.33Å; Y17-H21 AromaticContact CE2-CD2 3.46Å; Y17-H21 VanDerWaalsContact CE2-CD2 3.46Å; Y17-H21 WeakPolarHBondContact CE2-CD2 3.33Å; Y17-H21 AromaticContact CE2-CE1 3.59Å; Y17-H21 AromaticContact CE2-CG 3.82Å; Y17-H21 AromaticContact CE2-ND1 3.86Å; Y17-H21 AromaticContact CE2-NE2 3.31Å; Y17-H21 VanDerWaalsContact CE2-NE2 3.31Å; Y17-H21 WeakPolarHBondContact CE2-NE2 3.49Å; Y17-H21 AromaticContact CZ-CD2 3.54Å; Y17-H21 AromaticContact CZ-CG 3.85Å; Y17-H21 AromaticContact CZ-NE2 3.92Å; Y17-H21 WeakPolarHBondContact O-CB 3.47Å; Y17-H21 PolarHBondContact O-N 2.78Å; Y17-H21 PolarHBondContact O-ND1 2.99Å; L18-H21 PolarHBondContact O-N 3.09Å; L18-H21 VanDerWaalsContact O-N 3.09Å; H21-V130 VanDerWaalsContact CD2-CG2 3.45Å; H21-V130 WeakPolarHBondContact CD2-CG2 3.45Å
22	V	53	Low	54.6	Low	33 Å²	33	79.2 Å²	79.2	20%	0.2	39%	0.391	C	S	.	.	S	Bend	trans	-113	148.1	176.8	-176.2	0	0	0	0	109	L18 D26 L27	L18-V22 HydrophobicContact CD2-CG2 4.15Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 PolarHBondContact O-N 3.49Å; V22-D26 HydrophobicContact CG1-CB 3.81Å; V22-L27 HydrophobicContact CB-CD1 4.35Å; V22-L27 HydrophobicContact CB-CD2 3.97Å; V22-L27 HydrophobicContact CB-CG 3.9Å; V22-L27 HydrophobicContact CG1-CD2 4.28Å; V22-L27 HydrophobicContact CG1-CG 3.94Å; V22-L27 WeakPolarHBondContact O-CD1 3.49Å
23	N	51.3	Low	54.1	Low	107 Å²	107	74.5 Å²	74.5	57%	0.572	37%	0.374	S	S	*	.			trans	-73.9	147.4	-175.2	-160.3	-3	0	0	0	111.6	Q25 D26 L27	N23-Q25 PolarHBondContact O-N 3.15Å; N23-D26 WeakPolarHBondContact CB-OD2 3.25Å; N23-D26 PolarHBondContact O-N 3.32Å; N23-L27 PolarHBondContact O-N 3.44Å
24	K	49.3	Very low	54.1	Low	170 Å²	170	73.1 Å²	73.1	74%	0.739	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.6	-170.8	-77.8	-173.1	174.9	179.6	0	115.9	L27	K24-L27 HydrophobicContact CG-CD1 4.33Å
25	Q	47.8	Very low	54.3	Low	169 Å²	169	75.2 Å²	75.2	79%	0.79	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-28.4	170.4	-70.7	-178.3	-29.5	0	0	112.6	N23	N23-Q25 PolarHBondContact O-N 3.15Å
26	D	45.8	Very low	54.7	Low	71 Å²	71	72.3 Å²	72.3	38%	0.38	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-30.5	-178	-63.7	-45.7	0	0	0	112.6	V22 N23 R28	V22-D26 HydrophobicContact CG1-CB 3.81Å; N23-D26 WeakPolarHBondContact CB-OD2 3.25Å; N23-D26 PolarHBondContact O-N 3.32Å; D26-R28 PolarHBondContact O-N 3.31Å
27	L	42.6	Very low	55	Low	28 Å²	28	70.9 Å²	70.9	15%	0.147	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	7.4	-176.4	-85.2	162.7	0	0	0	117.3	L18 V22 N23 K24	L18-L27 HydrophobicContact CB-CD2 3.69Å; V22-L27 HydrophobicContact CB-CD1 4.35Å; V22-L27 HydrophobicContact CB-CD2 3.97Å; V22-L27 HydrophobicContact CB-CG 3.9Å; V22-L27 HydrophobicContact CG1-CD2 4.28Å; V22-L27 HydrophobicContact CG1-CG 3.94Å; V22-L27 WeakPolarHBondContact O-CD1 3.49Å; N23-L27 PolarHBondContact O-N 3.44Å; K24-L27 HydrophobicContact CG-CD1 4.33Å
28	R	46.8	Very low	55.4	Low	226 Å²	226	68.6 Å²	68.6	85%	0.853	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-15	-179.2	-77.2	-170.2	171.1	-168.7	-1	115	D26	D26-R28 PolarHBondContact O-N 3.31Å
29	D	47.4	Very low	55.8	Low	84 Å²	84	69.5 Å²	69.5	45%	0.449	35%	0.35	S	S	.	.	S	Bend	trans	-122.5	0.7	-169	-96.2	-76.2	0	0	0	114	Y31 R57	D29-Y31 WeakPolarHBondContact O-CD1 3.44Å; D29-Y31 WeakPolarHBondContact O-CE1 3.48Å; D29-R57 HydrophobicContact CB-CB 3.82Å; D29-R57 HydrophobicContact CB-CG 4.44Å; D29-R57 WeakPolarHBondContact O-CD 3.33Å; D29-R57 WeakPolarHBondContact O-CG 3.43Å; D29-R57 IonicContact OD1-NH1 2.66Å; D29-R57 PolarHBondContact OD1-NH1 2.89Å
30	D	50	Low	56	Low	17 Å²	17	66.1 Å²	66.1	9%	0.091	33%	0.331	C	S	.	.			trans	-82.6	138.6	178.2	-73.3	4.9	0	0	0	112.1	L18 N56 R57	L18-D30 HydrophobicContact CD1-CB 4.2Å; D30-N56 VanDerWaalsContact CG-ND2 3.25Å; D30-N56 WeakPolarHBondContact OD1-CA 3.34Å; D30-N56 PolarHBondContact OD1-ND2 2.95Å; D30-N56 PolarHBondContact OD2-ND2 3.15Å; D30-R57 PolarHBondContact OD1-N 3.05Å
31	Y	55.2	Low	55.9	Low	84 Å²	84	66 Å²	66	33%	0.329	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.1	173.5	47	-87.1	0	0	0	113	D29 V33 Q55 R57	D29-Y31 WeakPolarHBondContact O-CD1 3.44Å; D29-Y31 WeakPolarHBondContact O-CE1 3.48Å; Y31-V33 HydrophobicContact CD2-CG2 3.91Å; Y31-V33 HydrophobicContact CE2-CG1 4.42Å; Y31-V33 HydrophobicContact CE2-CG2 3.91Å; Y31-V33 PolarHBondContact O-N 2.63Å; Y31-Q55 PolarHBondContact O-N 2.97Å; Y31-Q55 PolarHBondContact OH-OE1 2.98Å; Y31-R57 HydrophobicContact CE1-CG 4.43Å; Y31-R57 PolarHBondContact OH-NE 2.73Å; Y31-R57 PolarHBondContact OH-NH2 3.28Å
32	C	54.9	Low	55.9	Low	53 Å²	53	67.2 Å²	67.2	36%	0.358	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	117.6	159.7	177	0	0	0	0	108.2	V35 S52	C32-V35 WeakPolarHBondContact SG-CG2 3.46Å; C32-S52 PolarHBondContact SG-OG 3.47Å
33	V	55.3	Low	55.4	Low	48 Å²	48	72.8 Å²	72.8	29%	0.291	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-33	-174.6	-163.6	0	0	0	0	111.1	Y31 V53 Q55 L206	Y31-V33 HydrophobicContact CD2-CG2 3.91Å; Y31-V33 HydrophobicContact CE2-CG1 4.42Å; Y31-V33 HydrophobicContact CE2-CG2 3.91Å; Y31-V33 PolarHBondContact O-N 2.63Å; V33-V53 PolarHBondContact N-O 3.4Å; V33-Q55 HydrophobicContact CG2-CB 3.73Å; V33-L206 HydrophobicContact CB-CD1 4.16Å; V33-L206 HydrophobicContact CG1-CD1 4.15Å; V33-L206 HydrophobicContact CG2-CD1 4.07Å
34	L	63	Low	54.8	Low	17 Å²	17	80.3 Å²	80.3	9%	0.089	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.6	-173.5	-71.7	174.7	0	0	0	111.2	F36 S52 V53 K202	L34-F36 HydrophobicContact CB-CD2 4.17Å; L34-F36 HydrophobicContact CB-CE2 3.92Å; L34-F36 HydrophobicContact CD1-CE2 3.79Å; L34-F36 HydrophobicContact CD2-CE2 3.72Å; L34-F36 HydrophobicContact CD2-CZ 4.24Å; L34-F36 HydrophobicContact CG-CE2 4.01Å; L34-S52 CarbonylContact O-C 3.47Å; L34-S52 VanDerWaalsContact O-CA 3.25Å; L34-S52 WeakPolarHBondContact O-CA 3.32Å; L34-V53 HydrophobicContact CB-CB 4.13Å; L34-V53 HydrophobicContact CB-CG2 3.94Å; L34-V53 HydrophobicContact CD1-CG2 4.02Å; L34-V53 PolarHBondContact N-O 2.89Å; L34-V53 PolarHBondContact O-N 3.22Å; L34-K202 HydrophobicContact CD1-CB 3.5Å; L34-K202 HydrophobicContact CD1-CD 3.71Å; L34-K202 HydrophobicContact CD1-CG 4.25Å; L34-K202 HydrophobicContact CD2-CD 3.69Å; L34-K202 HydrophobicContact CG-CD 4.06Å
35	V	65.5	Low	54.6	Low	46 Å²	46	75.5 Å²	75.5	28%	0.279	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	113.6	170.3	-170.4	0	0	0	0	108.9	I7 C32 I50 V51	I7-V35 HydrophobicContact CG1-CG1 4.1Å; I7-V35 HydrophobicContact CG2-CB 4.46Å; I7-V35 HydrophobicContact CG2-CG1 4.13Å; I7-V35 HydrophobicContact CG2-CG2 4.44Å; C32-V35 WeakPolarHBondContact SG-CG2 3.46Å; V35-I50 HydrophobicContact CG1-CD1 4.41Å; V35-I50 HydrophobicContact CG1-CG2 3.35Å; V35-V51 WeakPolarHBondContact CA-O 3.43Å
36	F	69.4	Low	54.7	Low	16 Å²	16	75.2 Å²	75.2	7%	0.07	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.5	178.7	-72.6	-91	0	0	0	111.8	L34 V38 I50 V51 F190 D195 E198 F199	L34-F36 HydrophobicContact CB-CD2 4.17Å; L34-F36 HydrophobicContact CB-CE2 3.92Å; L34-F36 HydrophobicContact CD1-CE2 3.79Å; L34-F36 HydrophobicContact CD2-CE2 3.72Å; L34-F36 HydrophobicContact CD2-CZ 4.24Å; L34-F36 HydrophobicContact CG-CE2 4.01Å; F36-V38 HydrophobicContact CB-CG1 4.24Å; F36-I50 WeakPolarHBondContact O-CA 3.18Å; F36-V51 PolarHBondContact N-O 2.83Å; F36-V51 PolarHBondContact O-N 3.12Å; F36-F190 HydrophobicContact CB-CE1 3.93Å; F36-F190 HydrophobicContact CD1-CD1 4.38Å; F36-F190 HydrophobicContact CD1-CE1 4.16Å; F36-F190 HydrophobicContact CG-CE1 4.01Å; F36-D195 HydrophobicContact CD1-CB 4.21Å; F36-D195 HydrophobicContact CE1-CB 4.09Å; F36-E198 HydrophobicContact CZ-CB 4.45Å; F36-E198 HydrophobicContact CZ-CG 4.37Å; F36-F199 HydrophobicContact CD2-CB 4.14Å; F36-F199 AromaticContact CD2-CD2 3.66Å; F36-F199 HydrophobicContact CD2-CD2 3.66Å; F36-F199 HydrophobicContact CD2-CG 4.38Å; F36-F199 HydrophobicContact CE2-CB 3.87Å; F36-F199 HydrophobicContact CE2-CD2 4.03Å; F36-F199 HydrophobicContact CE2-CG 4.46Å; F36-F199 HydrophobicContact CG-CD2 4.41Å; F36-F199 HydrophobicContact CZ-CB 4.2Å
37	P	67.9	Low	55.1	Low	47 Å²	47	74.1 Å²	74.1	31%	0.305	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.9	163.3	32.2	-30.5	0	0	0	109.4	L3	L3-P37 HydrophobicContact CD2-CB 4.39Å; L3-P37 HydrophobicContact CD2-CG 4.35Å
38	V	69.4	Low	55.8	Low	3 Å²	3	78.1 Å²	78.1	2%	0.018	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.3	178.3	-58.6	0	0	0	0	110.6	F36 I40 T49 V51 L188 E189 F190	F36-V38 HydrophobicContact CB-CG1 4.24Å; V38-I40 HydrophobicContact CG2-CG1 4.45Å; V38-T49 PolarHBondContact N-O 3.46Å; V38-T49 WeakPolarHBondContact O-CA 3.45Å; V38-T49 WeakPolarHBondContact O-CB 3.44Å; V38-T49 PolarHBondContact O-N 3.35Å; V38-V51 HydrophobicContact CG2-CB 4.12Å; V38-V51 HydrophobicContact CG2-CG2 3.45Å; V38-V51 VanDerWaalsContact CG2-CG2 3.45Å; V38-L188 HydrophobicContact CG2-CD2 4.32Å; V38-E189 CarbonylContact C-O 3.52Å; V38-E189 WeakPolarHBondContact CA-O 3.36Å; V38-F190 HydrophobicContact CG1-CD1 3.71Å; V38-F190 HydrophobicContact CG1-CD2 4.25Å; V38-F190 HydrophobicContact CG1-CE1 3.45Å; V38-F190 VanDerWaalsContact CG1-CE1 3.45Å; V38-F190 HydrophobicContact CG1-CE2 3.99Å; V38-F190 HydrophobicContact CG1-CG 4.11Å; V38-F190 HydrophobicContact CG1-CZ 3.58Å
39	N	67.1	Low	56.6	Low	30 Å²	30	67.5 Å²	67.5	16%	0.16	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.8	164.1	-68.3	-75.5	0	0	0	108.5	R46 E189	N39-R46 HydrophobicContact CB-CG 4.17Å; N39-E189 HydrophobicContact CB-CB 4.13Å; N39-E189 HydrophobicContact CB-CG 4.41Å; N39-E189 PolarHBondContact N-O 2.57Å; N39-E189 PolarHBondContact O-N 3.35Å
40	I	63.3	Low	57.6	Low	11 Å²	11	63.7 Å²	63.7	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.6	168.3	-68	-165.2	0	0	0	109	V38 N42 T47 T49 I66 L188	V38-I40 HydrophobicContact CG2-CG1 4.45Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 HydrophobicContact CG2-CB 3.81Å; I40-N42 PolarHBondContact O-N 3.13Å; I40-T47 PolarHBondContact N-O 3.1Å; I40-T49 HydrophobicContact CD1-CG2 3.82Å; I40-T49 HydrophobicContact CG1-CG2 4.07Å; I40-I66 HydrophobicContact CD1-CD1 4.23Å; I40-I66 HydrophobicContact CD1-CG2 3.36Å; I40-L188 HydrophobicContact CD1-CD2 3.95Å; I40-L188 HydrophobicContact CG1-CD2 3.83Å
41	L	57.6	Low	58.6	Low	74 Å²	74	62.9 Å²	62.9	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	70.9	174.8	-71.3	172.4	0	0	0	109.9	R46 T187 E189	L41-R46 HydrophobicContact CD2-CG 3.79Å; L41-T187 HydrophobicContact CB-CG2 4.35Å; L41-T187 HydrophobicContact CD1-CG2 4.15Å; L41-T187 PolarHBondContact N-O 2.56Å; L41-E189 HydrophobicContact CD1-CB 3.97Å; L41-E189 HydrophobicContact CD1-CG 4.47Å; L41-E189 HydrophobicContact CG-CB 4.28Å
42	N	50.5	Low	59.4	Low	78 Å²	78	58.9 Å²	58.9	42%	0.417	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.9	172.6	-161.3	-12.6	0	0	0	110	I40 R44 S45	I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 HydrophobicContact CG2-CB 3.81Å; I40-N42 PolarHBondContact O-N 3.13Å; N42-R44 VanDerWaalsContact C-N 3.32Å; N42-R44 PolarHBondContact O-N 2.88Å; N42-R44 VanDerWaalsContact O-N 3.13Å; N42-S45 PolarHBondContact O-N 3.4Å
43	N	44.5	Very low	60.2	Low	150 Å²	150	56.4 Å²	56.4	80%	0.802	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.8	50.7	179	-71.9	-26.8	0	0	0	116	S45	N43-S45 VanDerWaalsContact C-N 3.3Å; N43-S45 PolarHBondContact O-N 2.64Å
44	R	37.3	Very low	60.7	Low	265 Å²	265	54.2 Å²	54.2	100%	1	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	14.9	169.8	-58.1	-177.7	174.4	-177.8	-2.2	116.9	N42	N42-R44 VanDerWaalsContact C-N 3.32Å; N42-R44 PolarHBondContact O-N 2.88Å; N42-R44 VanDerWaalsContact O-N 3.13Å
45	S	45.4	Very low	60.9	Low	69 Å²	69	55.5 Å²	55.5	48%	0.483	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.2	168.6	64.9	0	0	0	0	112	N42 N43 T47	N42-S45 PolarHBondContact O-N 3.4Å; N43-S45 VanDerWaalsContact C-N 3.3Å; N43-S45 PolarHBondContact O-N 2.64Å; S45-T47 PolarHBondContact O-N 2.77Å
46	R	50.1	Low	60.6	Low	163 Å²	163	54 Å²	54	62%	0.615	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	121.6	165.1	-82.2	-173.5	174.5	152.1	-2.5	109.2	N39 L41 E189	N39-R46 HydrophobicContact CB-CG 4.17Å; L41-R46 HydrophobicContact CD2-CG 3.79Å; R46-E189 IonicContact CZ-OE1 2.98Å; R46-E189 IonicContact CZ-OE2 3.72Å; R46-E189 IonicContact NE-OE1 2.69Å; R46-E189 IonicContact NE-OE2 2.79Å; R46-E189 PolarHBondContact NE-OE2 3.42Å; R46-E189 VanDerWaalsContact NH2-CD 3.27Å; R46-E189 IonicContact NH2-OE1 2.75Å; R46-E189 PolarHBondContact NH2-OE1 3.35Å; R46-E189 IonicContact NH2-OE2 2.8Å; R46-E189 PolarHBondContact NH2-OE2 3.45Å
47	T	55.1	Low	59.9	Low	48 Å²	48	59.1 Å²	59.1	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.5	170.3	43.9	0	0	0	0	109.8	I40 S45 T49	I40-T47 PolarHBondContact N-O 3.1Å; S45-T47 PolarHBondContact O-N 2.77Å; T47-T49 PolarHBondContact O-N 2.99Å; T47-T49 PolarHBondContact O-OG1 3.41Å
48	E	56.5	Low	59	Low	111 Å²	111	59.5 Å²	59.5	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	111.3	168.9	-64.1	166	121.8	0	0	108.6	K71	E48-K71 IonicContact OE2-NZ 2.62Å; E48-K71 PolarHBondContact OE2-NZ 3.1Å
49	T	64	Low	58.3	Low	4 Å²	4	62.4 Å²	62.4	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.5	-170.2	-59.4	0	0	0	0	108.3	V38 I40 T47 V51 I66 F67 I84	V38-T49 PolarHBondContact N-O 3.46Å; V38-T49 WeakPolarHBondContact O-CA 3.45Å; V38-T49 WeakPolarHBondContact O-CB 3.44Å; V38-T49 PolarHBondContact O-N 3.35Å; I40-T49 HydrophobicContact CD1-CG2 3.82Å; I40-T49 HydrophobicContact CG1-CG2 4.07Å; T47-T49 PolarHBondContact O-N 2.99Å; T47-T49 PolarHBondContact O-OG1 3.41Å; T49-V51 HydrophobicContact CG2-CG2 4.34Å; T49-I66 HydrophobicContact CG2-CG2 3.51Å; T49-F67 CarbonylContact C-O 3.58Å; T49-F67 VanDerWaalsContact CA-O 3.32Å; T49-F67 WeakPolarHBondContact CA-O 3.45Å; T49-F67 VanDerWaalsContact CG2-O 3.27Å; T49-F67 WeakPolarHBondContact CG2-O 3.42Å; T49-I84 HydrophobicContact CG2-CD1 4.08Å
50	I	67	Low	57.9	Low	3 Å²	3	67.5 Å²	67.5	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129	165.9	-79.3	-176.9	0	0	0	108.4	L3 Y6 I7 C10 V35 F36 F67	L3-I50 HydrophobicContact CD1-CD1 4.01Å; Y6-I50 HydrophobicContact CD1-CD1 3.4Å; Y6-I50 HydrophobicContact CD1-CG1 4.14Å; Y6-I50 HydrophobicContact CE1-CB 4.45Å; Y6-I50 HydrophobicContact CE1-CD1 3.65Å; Y6-I50 HydrophobicContact CE1-CG1 3.94Å; Y6-I50 HydrophobicContact CG-CD1 4.46Å; I7-I50 HydrophobicContact CB-CD1 4.46Å; I7-I50 HydrophobicContact CG1-CD1 3.6Å; C10-I50 HydrophobicContact CB-CG2 4.33Å; V35-I50 HydrophobicContact CG1-CD1 4.41Å; V35-I50 HydrophobicContact CG1-CG2 3.35Å; F36-I50 WeakPolarHBondContact O-CA 3.18Å; I50-F67 HydrophobicContact CB-CB 4.28Å; I50-F67 HydrophobicContact CG2-CD2 4.27Å; I50-F67 PolarHBondContact N-O 3.1Å; I50-F67 WeakPolarHBondContact O-CB 3.35Å; I50-F67 PolarHBondContact O-N 3.17Å
51	V	71.6	Confident	57.8	Low	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.8	169	173.2	0	0	0	0	109	V35 F36 V38 T49 L64 F65 I66 L188 F199	V35-V51 WeakPolarHBondContact CA-O 3.43Å; F36-V51 PolarHBondContact N-O 2.83Å; F36-V51 PolarHBondContact O-N 3.12Å; V38-V51 HydrophobicContact CG2-CB 4.12Å; V38-V51 HydrophobicContact CG2-CG2 3.45Å; V38-V51 VanDerWaalsContact CG2-CG2 3.45Å; T49-V51 HydrophobicContact CG2-CG2 4.34Å; V51-L64 HydrophobicContact CG1-CD1 3.42Å; V51-L64 VanDerWaalsContact CG1-CD1 3.42Å; V51-L64 HydrophobicContact CG1-CD2 3.97Å; V51-L64 HydrophobicContact CG1-CG 3.66Å; V51-F65 WeakPolarHBondContact CA-O 3.3Å; V51-I66 HydrophobicContact CG2-CB 4.5Å; V51-I66 HydrophobicContact CG2-CG1 4.17Å; V51-I66 HydrophobicContact CG2-CG2 4.21Å; V51-L188 HydrophobicContact CG1-CD1 4.42Å; V51-L188 HydrophobicContact CG2-CD1 4.42Å; V51-L188 HydrophobicContact CG2-CD2 4.3Å; V51-F199 HydrophobicContact CG1-CE2 3.76Å; V51-F199 HydrophobicContact CG1-CZ 4.04Å
52	S	71.8	Confident	58.6	Low	1 Å²	1	70.1 Å²	70.1	1%	0.007	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125	-178.1	167.9	0	0	0	0	110.1	C32 L34 F65	C32-S52 PolarHBondContact SG-OG 3.47Å; L34-S52 CarbonylContact O-C 3.47Å; L34-S52 VanDerWaalsContact O-CA 3.25Å; L34-S52 WeakPolarHBondContact O-CA 3.32Å; S52-F65 PolarHBondContact N-O 3.41Å; S52-F65 PolarHBondContact O-N 3.15Å
53	V	71.3	Confident	59.7	Low	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	172.2	-161.9	0	0	0	0	109	V33 L34 L64 L89 F199 L206	V33-V53 PolarHBondContact N-O 3.4Å; L34-V53 HydrophobicContact CB-CB 4.13Å; L34-V53 HydrophobicContact CB-CG2 3.94Å; L34-V53 HydrophobicContact CD1-CG2 4.02Å; L34-V53 PolarHBondContact N-O 2.89Å; L34-V53 PolarHBondContact O-N 3.22Å; V53-L64 HydrophobicContact CB-CD1 4.43Å; V53-L64 HydrophobicContact CG2-CD1 3.72Å; V53-L89 HydrophobicContact CG1-CD1 3.94Å; V53-F199 HydrophobicContact CG2-CD2 4.27Å; V53-F199 HydrophobicContact CG2-CE2 3.77Å; V53-L206 HydrophobicContact CB-CD1 4.42Å; V53-L206 HydrophobicContact CG1-CD1 3.56Å
54	V	67	Low	61.4	Low	3 Å²	3	60.3 Å²	60.3	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	179.9	-177	0	0	0	0	108.7	V14 L18 S62 A63 F65	V14-V54 HydrophobicContact CG1-CG1 4.49Å; V14-V54 HydrophobicContact CG1-CG2 3.61Å; V14-V54 HydrophobicContact CG2-CG2 4.49Å; L18-V54 HydrophobicContact CD1-CG1 4.14Å; L18-V54 HydrophobicContact CD2-CG1 4.41Å; V54-S62 CarbonylContact O-C 3.55Å; V54-S62 VanDerWaalsContact O-CA 3.24Å; V54-S62 WeakPolarHBondContact O-CA 3.33Å; V54-S62 WeakPolarHBondContact O-CB 3.5Å; V54-A63 PolarHBondContact N-O 3.43Å; V54-A63 PolarHBondContact O-N 3.28Å; V54-F65 HydrophobicContact CB-CD2 4.17Å; V54-F65 HydrophobicContact CB-CE2 3.84Å; V54-F65 HydrophobicContact CG1-CE2 4.5Å; V54-F65 HydrophobicContact CG2-CD2 3.54Å; V54-F65 HydrophobicContact CG2-CE2 3.57Å
55	Q	66.2	Low	63.1	Low	43 Å²	43	47.9 Å²	47.9	20%	0.201	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.7	170.1	-175.2	177.9	21.7	0	0	107.9	Y31 V33 L206	Y31-Q55 PolarHBondContact O-N 2.97Å; Y31-Q55 PolarHBondContact OH-OE1 2.98Å; V33-Q55 HydrophobicContact CG2-CB 3.73Å; Q55-L206 HydrophobicContact CB-CD2 3.94Å; Q55-L206 HydrophobicContact CG-CD2 3.99Å
56	N	60	Low	64.5	Low	15 Å²	15	44.7 Å²	44.7	8%	0.08	22%	0.22	C	C	.	.			trans	-89.7	121.2	167.1	166.1	-80.3	0	0	0	108.8	D30 S58 S59 D60 K61	D30-N56 VanDerWaalsContact CG-ND2 3.25Å; D30-N56 WeakPolarHBondContact OD1-CA 3.34Å; D30-N56 PolarHBondContact OD1-ND2 2.95Å; D30-N56 PolarHBondContact OD2-ND2 3.15Å; N56-S58 PolarHBondContact ND2-OG 2.92Å; N56-S58 PolarHBondContact OD1-N 2.73Å; N56-S58 PolarHBondContact OD1-OG 3.37Å; N56-S59 VanDerWaalsContact OD1-CB 3.28Å; N56-S59 WeakPolarHBondContact OD1-CB 3.17Å; N56-S59 PolarHBondContact OD1-N 3.33Å; N56-S59 PolarHBondContact OD1-OG 3.17Å; N56-D60 PolarHBondContact O-N 2.96Å; N56-K61 PolarHBondContact N-O 3.47Å
57	R	53.8	Low	65.3	Low	123 Å²	123	36.9 Å²	36.9	46%	0.464	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.2	-175.3	-88.9	-166	179.1	167.8	6	113.7	D29 D30 Y31	D29-R57 HydrophobicContact CB-CB 3.82Å; D29-R57 HydrophobicContact CB-CG 4.44Å; D29-R57 WeakPolarHBondContact O-CD 3.33Å; D29-R57 WeakPolarHBondContact O-CG 3.43Å; D29-R57 IonicContact OD1-NH1 2.66Å; D29-R57 PolarHBondContact OD1-NH1 2.89Å; D30-R57 PolarHBondContact OD1-N 3.05Å; Y31-R57 HydrophobicContact CE1-CG 4.43Å; Y31-R57 PolarHBondContact OH-NE 2.73Å; Y31-R57 PolarHBondContact OH-NH2 3.28Å
58	S	49.5	Very low	65.8	Low	56 Å²	56	35.9 Å²	35.9	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.6	-178.8	62.9	0	0	0	0	113.7	N56	N56-S58 PolarHBondContact ND2-OG 2.92Å; N56-S58 PolarHBondContact OD1-N 2.73Å; N56-S58 PolarHBondContact OD1-OG 3.37Å
59	S	55.8	Low	65.9	Low	63 Å²	63	34.6 Å²	34.6	44%	0.441	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	2.5	-176.7	70.7	0	0	0	0	115	N56 K61	N56-S59 VanDerWaalsContact OD1-CB 3.28Å; N56-S59 WeakPolarHBondContact OD1-CB 3.17Å; N56-S59 PolarHBondContact OD1-N 3.33Å; N56-S59 PolarHBondContact OD1-OG 3.17Å; S59-K61 PolarHBondContact O-N 3.29Å; S59-K61 VanDerWaalsContact O-N 3.1Å
60	D	58.5	Low	65.3	Low	137 Å²	137	36.3 Å²	36.3	73%	0.733	19%	0.19	S	C	*	.			trans	53.2	20.8	-172.9	-82.8	-33.6	0	0	0	114.7	N56	N56-D60 PolarHBondContact O-N 2.96Å
61	K	60.9	Low	64.2	Low	139 Å²	139	42.9 Å²	42.9	60%	0.604	22%	0.219	S	C	*	.			trans	-97.6	135.9	176.7	-66.9	-178.9	-177.5	-175	0	111.3	N56 S59	N56-K61 PolarHBondContact N-O 3.47Å; S59-K61 PolarHBondContact O-N 3.29Å; S59-K61 VanDerWaalsContact O-N 3.1Å
62	S	74.4	Confident	62.6	Low	2 Å²	2	49.6 Å²	49.6	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.3	172.6	-53.5	0	0	0	0	110.6	V54 L89 L206	V54-S62 CarbonylContact O-C 3.55Å; V54-S62 VanDerWaalsContact O-CA 3.24Å; V54-S62 WeakPolarHBondContact O-CA 3.33Å; V54-S62 WeakPolarHBondContact O-CB 3.5Å; S62-L89 WeakPolarHBondContact O-CB 3.45Å; S62-L89 PolarHBondContact O-N 3.35Å; S62-L206 WeakPolarHBondContact CB-O 3.46Å; S62-L206 PolarHBondContact OG-O 3.43Å
63	A	73.3	Confident	61	Low	21 Å²	21	53.5 Å²	53.5	17%	0.174	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.1	-178.2	0	0	0	0	0	112.7	V54 F65 L86 I87	V54-A63 PolarHBondContact N-O 3.43Å; V54-A63 PolarHBondContact O-N 3.28Å; A63-F65 HydrophobicContact CB-CD2 4.49Å; A63-F65 HydrophobicContact CB-CE2 3.95Å; A63-L86 HydrophobicContact CB-CD1 3.99Å; A63-I87 CarbonylContact C-O 3.59Å; A63-I87 WeakPolarHBondContact CA-O 3.39Å
64	L	79	Confident	59.3	Low	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.4	179.7	-161.9	72.7	0	0	0	110.7	V51 V53 I66 L86 I87 L89 V106 L188 F199	V51-L64 HydrophobicContact CG1-CD1 3.42Å; V51-L64 VanDerWaalsContact CG1-CD1 3.42Å; V51-L64 HydrophobicContact CG1-CD2 3.97Å; V51-L64 HydrophobicContact CG1-CG 3.66Å; V53-L64 HydrophobicContact CB-CD1 4.43Å; V53-L64 HydrophobicContact CG2-CD1 3.72Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; L64-L86 WeakPolarHBondContact O-CA 3.44Å; L64-I87 HydrophobicContact CB-CB 4.16Å; L64-I87 HydrophobicContact CB-CG1 4.47Å; L64-I87 HydrophobicContact CD2-CD1 4.01Å; L64-I87 PolarHBondContact N-O 2.58Å; L64-I87 PolarHBondContact O-N 2.95Å; L64-L89 HydrophobicContact CB-CD2 4.27Å; L64-V106 HydrophobicContact CD2-CG1 4.36Å; L64-L188 HydrophobicContact CD2-CD1 4.49Å; L64-F199 HydrophobicContact CD1-CE2 3.95Å; L64-F199 HydrophobicContact CD1-CZ 3.74Å; L64-F199 HydrophobicContact CD2-CZ 4.31Å
65	F	74.1	Confident	57.9	Low	5 Å²	5	66.7 Å²	66.7	2%	0.022	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.5	178.2	-68.1	-106.1	0	0	0	110	V14 Y17 V51 S52 V54 A63 F67 L83 L86	V14-F65 HydrophobicContact CG2-CB 4.42Å; V14-F65 HydrophobicContact CG2-CD1 4.28Å; V14-F65 HydrophobicContact CG2-CG 4.21Å; Y17-F65 AromaticContact CD1-CE1 3.55Å; Y17-F65 HydrophobicContact CD1-CE1 3.55Å; Y17-F65 AromaticContact CD1-CZ 3.59Å; Y17-F65 HydrophobicContact CD1-CZ 3.59Å; Y17-F65 AromaticContact CE1-CE1 3.97Å; Y17-F65 HydrophobicContact CE1-CE1 3.97Å; Y17-F65 AromaticContact CE1-CZ 3.82Å; Y17-F65 HydrophobicContact CE1-CZ 3.82Å; Y17-F65 AromaticContact CG-CE1 3.93Å; Y17-F65 HydrophobicContact CG-CE1 3.93Å; Y17-F65 HydrophobicContact CG-CZ 4.42Å; V51-F65 WeakPolarHBondContact CA-O 3.3Å; S52-F65 PolarHBondContact N-O 3.41Å; S52-F65 PolarHBondContact O-N 3.15Å; V54-F65 HydrophobicContact CB-CD2 4.17Å; V54-F65 HydrophobicContact CB-CE2 3.84Å; V54-F65 HydrophobicContact CG1-CE2 4.5Å; V54-F65 HydrophobicContact CG2-CD2 3.54Å; V54-F65 HydrophobicContact CG2-CE2 3.57Å; A63-F65 HydrophobicContact CB-CD2 4.49Å; A63-F65 HydrophobicContact CB-CE2 3.95Å; F65-F67 HydrophobicContact CB-CD2 4.37Å; F65-F67 HydrophobicContact CB-CE2 3.54Å; F65-F67 HydrophobicContact CB-CZ 3.93Å; F65-F67 HydrophobicContact CD1-CZ 4.37Å; F65-L83 HydrophobicContact CB-CD1 3.97Å; F65-L83 HydrophobicContact CD1-CD1 3.83Å; F65-L83 HydrophobicContact CD1-CD2 4.49Å; F65-L83 HydrophobicContact CG-CD1 4.39Å; F65-L86 HydrophobicContact CD1-CD1 3.8Å; F65-L86 HydrophobicContact CD2-CD1 3.81Å; F65-L86 HydrophobicContact CE1-CD1 3.72Å; F65-L86 HydrophobicContact CE1-CD2 4.39Å; F65-L86 HydrophobicContact CE2-CD1 3.72Å; F65-L86 HydrophobicContact CG-CD1 3.84Å; F65-L86 HydrophobicContact CZ-CD1 3.68Å
66	I	73.7	Confident	56.6	Low	1 Å²	1	69.9 Å²	69.9	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.8	-174.8	-54.9	-165.6	0	0	0	109.8	I40 T49 V51 L64 L83 I84 D85 I87	I40-I66 HydrophobicContact CD1-CD1 4.23Å; I40-I66 HydrophobicContact CD1-CG2 3.36Å; T49-I66 HydrophobicContact CG2-CG2 3.51Å; V51-I66 HydrophobicContact CG2-CB 4.5Å; V51-I66 HydrophobicContact CG2-CG1 4.17Å; V51-I66 HydrophobicContact CG2-CG2 4.21Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; I66-L83 CarbonylContact O-C 3.53Å; I66-L83 WeakPolarHBondContact O-CA 3.46Å; I66-I84 HydrophobicContact CG2-CB 4.35Å; I66-I84 HydrophobicContact CG2-CD1 3.83Å; I66-I84 HydrophobicContact CG2-CG1 4.2Å; I66-I84 PolarHBondContact O-N 3.07Å; I66-D85 HydrophobicContact CB-CB 3.8Å; I66-D85 HydrophobicContact CD1-CB 3.96Å; I66-D85 HydrophobicContact CG1-CB 4.03Å; I66-D85 HydrophobicContact CG2-CB 4.47Å; I66-D85 PolarHBondContact N-O 3.34Å; I66-D85 PolarHBondContact O-N 3.19Å; I66-I87 HydrophobicContact CD1-CD1 4.27Å
67	F	68.9	Low	55.7	Low	0 Å²	0	78.5 Å²	78.5	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.8	-171.9	-64.6	-81.2	0	0	0	113.3	C10 V13 V14 T49 I50 F65 P81 A82 L83	C10-F67 HydrophobicContact CB-CD2 4.06Å; C10-F67 HydrophobicContact CB-CE2 4.16Å; C10-F67 HydrophobicContact CB-CG 4.31Å; V13-F67 HydrophobicContact CB-CE1 3.95Å; V13-F67 HydrophobicContact CB-CZ 4.43Å; V13-F67 HydrophobicContact CG1-CE1 3.73Å; V13-F67 HydrophobicContact CG1-CZ 4.39Å; V14-F67 HydrophobicContact CG2-CE2 3.85Å; V14-F67 HydrophobicContact CG2-CZ 3.64Å; T49-F67 CarbonylContact C-O 3.58Å; T49-F67 VanDerWaalsContact CA-O 3.32Å; T49-F67 WeakPolarHBondContact CA-O 3.45Å; T49-F67 VanDerWaalsContact CG2-O 3.27Å; T49-F67 WeakPolarHBondContact CG2-O 3.42Å; I50-F67 HydrophobicContact CB-CB 4.28Å; I50-F67 HydrophobicContact CG2-CD2 4.27Å; I50-F67 PolarHBondContact N-O 3.1Å; I50-F67 WeakPolarHBondContact O-CB 3.35Å; I50-F67 PolarHBondContact O-N 3.17Å; F65-F67 HydrophobicContact CB-CD2 4.37Å; F65-F67 HydrophobicContact CB-CE2 3.54Å; F65-F67 HydrophobicContact CB-CZ 3.93Å; F65-F67 HydrophobicContact CD1-CZ 4.37Å; F67-P81 HydrophobicContact CB-CB 4.32Å; F67-P81 HydrophobicContact CD1-CB 4.14Å; F67-A82 CarbonylContact C-O 3.58Å; F67-A82 VanDerWaalsContact CA-O 3.32Å; F67-A82 WeakPolarHBondContact CA-O 3.36Å; F67-L83 HydrophobicContact CD1-CB 4.16Å; F67-L83 HydrophobicContact CD1-CD1 4.04Å; F67-L83 HydrophobicContact CE1-CB 3.97Å; F67-L83 HydrophobicContact CE1-CD1 3.6Å; F67-L83 HydrophobicContact CE1-CG 4.4Å; F67-L83 HydrophobicContact CE2-CD1 4.29Å; F67-L83 HydrophobicContact CZ-CD1 3.75Å
68	S	64.5	Low	55.4	Low	26 Å²	26	74.8 Å²	74.8	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.5	172.1	-161.5	0	0	0	0	111.7	Y6 A70 A82	Y6-S68 PolarHBondContact OH-O 3.08Å; S68-A70 PolarHBondContact O-N 2.9Å; S68-A82 PolarHBondContact N-O 2.93Å; S68-A82 PolarHBondContact O-N 3.03Å; S68-A82 VanDerWaalsContact O-N 3.13Å
69	R	57.9	Low	55.6	Low	84 Å²	84	73.8 Å²	73.8	32%	0.317	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	104.1	161.5	-166.8	168.3	-179.6	-142.5	-5.3	108.4	Y6 K71 D79	Y6-R69 HydrophobicContact CE1-CB 4.44Å; Y6-R69 HydrophobicContact CE2-CB 4.39Å; Y6-R69 HydrophobicContact CE2-CG 4.21Å; Y6-R69 VanDerWaalsContact OH-CA 3.26Å; Y6-R69 WeakPolarHBondContact OH-CA 3.48Å; Y6-R69 PolarHBondContact OH-N 3.46Å; R69-K71 VanDerWaalsContact C-N 3.32Å; R69-K71 PolarHBondContact O-N 3.09Å; R69-D79 IonicContact CZ-OD1 2.69Å; R69-D79 IonicContact CZ-OD2 3.33Å; R69-D79 IonicContact NE-OD1 3.81Å; R69-D79 PolarHBondContact NE-OD1 3.33Å; R69-D79 IonicContact NE-OD2 2.72Å; R69-D79 IonicContact NH2-OD1 3.13Å; R69-D79 PolarHBondContact NH2-OD1 3.2Å; R69-D79 VanDerWaalsContact NH2-OD1 3.1Å; R69-D79 IonicContact NH2-OD2 2.66Å; R69-D79 PolarHBondContact NH2-OD2 3.35Å
70	A	52	Low	55.7	Low	40 Å²	40	75.4 Å²	75.4	33%	0.331	40%	0.397	S	S	.	.			trans	-67.9	79.9	-170.8	0	0	0	0	0	113.1	S68 N72 A82	S68-A70 PolarHBondContact O-N 2.9Å; A70-N72 PolarHBondContact O-N 3.33Å; A70-A82 HydrophobicContact CB-CB 4.17Å
71	K	43.1	Very low	55.8	Low	142 Å²	142	69.1 Å²	69.1	62%	0.617	36%	0.364	S	S	*	.			trans	-63.4	-12.2	-175.3	-75	176.8	-178.9	175	0	115.1	E48 R69	E48-K71 IonicContact OE2-NZ 2.62Å; E48-K71 PolarHBondContact OE2-NZ 3.1Å; R69-K71 VanDerWaalsContact C-N 3.32Å; R69-K71 PolarHBondContact O-N 3.09Å
72	N	38.8	Very low	55.9	Low	141 Å²	141	64.2 Å²	64.2	75%	0.754	35%	0.349	S	S	*	.			trans	-113.8	73.7	-177.8	-71.4	-14.9	0	0	0	113.3	A70 R121	A70-N72 PolarHBondContact O-N 3.33Å; N72-R121 PolarHBondContact O-NH1 3.18Å
73	L	38.6	Very low	55.5	Low	83 Å²	83	65.1 Å²	65.1	44%	0.435	35%	0.354	S	S	.	.			trans	-133.8	92.3	152.6	-113.6	165.9	0	0	0	107.8	S75	L73-S75 PolarHBondContact O-N 2.87Å
74	I	36.1	Very low	55.1	Low	163 Å²	163	65.8 Å²	65.8	84%	0.836	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	131.3	167.1	-56.8	176	0	0	0	106.2
75	S	36.8	Very low	54.6	Low	116 Å²	116	65.9 Å²	65.9	81%	0.811	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	64.9	-168.3	59.2	0	0	0	0	115.5	L73	L73-S75 PolarHBondContact O-N 2.87Å
76	D	38.3	Very low	54.6	Low	110 Å²	110	65.7 Å²	65.7	59%	0.588	35%	0.354	S	S	*	.			trans	-154.1	146.3	135	-150.4	-1.1	0	0	0	111.8	S78	D76-S78 VanDerWaalsContact CG-OG 3.23Å; D76-S78 PolarHBondContact O-N 3.01Å; D76-S78 PolarHBondContact OD2-OG 2.95Å
77	Q	42	Very low	54.7	Low	196 Å²	196	65.7 Å²	65.7	92%	0.916	35%	0.354	S	S	*	.			trans	-83.6	12.6	177.7	-73.1	-170.2	-12.9	0	0	113	D79	Q77-D79 PolarHBondContact O-N 3.26Å
78	S	47.6	Very low	54.9	Low	46 Å²	46	66.9 Å²	66.9	32%	0.322	36%	0.361	S	S	.	.			trans	-90.9	85	-170	58.5	0	0	0	0	112	D76 I80	D76-S78 VanDerWaalsContact CG-OG 3.23Å; D76-S78 PolarHBondContact O-N 3.01Å; D76-S78 PolarHBondContact OD2-OG 2.95Å; S78-I80 PolarHBondContact O-N 3.2Å
79	D	54.2	Low	55.5	Low	35 Å²	35	66 Å²	66	19%	0.187	35%	0.354	C	S	.	.			trans	-64.5	70.4	170.1	-133.5	-16.4	0	0	0	109.3	M1 K9 R69 Q77	M1-D79 HydrophobicContact CE-CB 3.75Å; M1-D79 HydrophobicContact CG-CB 4.22Å; M1-D79 VanDerWaalsContact CG-OD2 3.3Å; M1-D79 WeakPolarHBondContact CG-OD2 3.47Å; M1-D79 PolarHBondContact N-OD2 3.01Å; M1-D79 HydrophobicContact SD-CB 3.6Å; K9-D79 VanDerWaalsContact CD-O 3.27Å; K9-D79 WeakPolarHBondContact CD-O 3.35Å; K9-D79 PolarHBondContact NZ-O 2.8Å; R69-D79 IonicContact CZ-OD1 2.69Å; R69-D79 IonicContact CZ-OD2 3.33Å; R69-D79 IonicContact NE-OD1 3.81Å; R69-D79 PolarHBondContact NE-OD1 3.33Å; R69-D79 IonicContact NE-OD2 2.72Å; R69-D79 IonicContact NH2-OD1 3.13Å; R69-D79 PolarHBondContact NH2-OD1 3.2Å; R69-D79 VanDerWaalsContact NH2-OD1 3.1Å; R69-D79 IonicContact NH2-OD2 2.66Å; R69-D79 PolarHBondContact NH2-OD2 3.35Å; Q77-D79 PolarHBondContact O-N 3.26Å
80	I	57.8	Low	56.2	Low	97 Å²	97	64.5 Å²	64.5	50%	0.497	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-102.4	128.9	-176.9	-64.4	173.2	0	0	0	108.9	S78 A82	S78-I80 PolarHBondContact O-N 3.2Å; I80-A82 PolarHBondContact O-N 2.66Å
81	P	60.6	Low	57	Low	5 Å²	5	72 Å²	72	3%	0.032	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129	173.4	25.8	-31.1	0	0	0	110.9	Y6 K9 C10 V13 F67	Y6-P81 HydrophobicContact CD2-CB 4.43Å; Y6-P81 HydrophobicContact CE2-CB 3.6Å; Y6-P81 HydrophobicContact CE2-CG 4.26Å; K9-P81 HydrophobicContact CB-CG 3.65Å; C10-P81 WeakPolarHBondContact SG-CB 3.48Å; V13-P81 HydrophobicContact CG2-CG 4.23Å; F67-P81 HydrophobicContact CB-CB 4.32Å; F67-P81 HydrophobicContact CD1-CB 4.14Å
82	A	61.7	Low	58.2	Low	36 Å²	36	69.7 Å²	69.7	30%	0.298	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.7	172.7	0	0	0	0	0	109.1	F67 S68 A70 I80 I84	F67-A82 CarbonylContact C-O 3.58Å; F67-A82 VanDerWaalsContact CA-O 3.32Å; F67-A82 WeakPolarHBondContact CA-O 3.36Å; S68-A82 PolarHBondContact N-O 2.93Å; S68-A82 PolarHBondContact O-N 3.03Å; S68-A82 VanDerWaalsContact O-N 3.13Å; A70-A82 HydrophobicContact CB-CB 4.17Å; I80-A82 PolarHBondContact O-N 2.66Å; A82-I84 PolarHBondContact O-N 3.21Å
83	L	66	Low	60.3	Low	20 Å²	20	63.8 Å²	63.8	11%	0.105	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	120.9	167.8	-171.7	72.4	0	0	0	108.1	F65 I66 F67 D85 I114	F65-L83 HydrophobicContact CB-CD1 3.97Å; F65-L83 HydrophobicContact CD1-CD1 3.83Å; F65-L83 HydrophobicContact CD1-CD2 4.49Å; F65-L83 HydrophobicContact CG-CD1 4.39Å; I66-L83 CarbonylContact O-C 3.53Å; I66-L83 WeakPolarHBondContact O-CA 3.46Å; F67-L83 HydrophobicContact CD1-CB 4.16Å; F67-L83 HydrophobicContact CD1-CD1 4.04Å; F67-L83 HydrophobicContact CE1-CB 3.97Å; F67-L83 HydrophobicContact CE1-CD1 3.6Å; F67-L83 HydrophobicContact CE1-CG 4.4Å; F67-L83 HydrophobicContact CE2-CD1 4.29Å; F67-L83 HydrophobicContact CZ-CD1 3.75Å; L83-D85 WeakPolarHBondContact CD1-O 3.31Å; L83-I114 WeakPolarHBondContact O-CD1 3.11Å
84	I	66.2	Low	62.1	Low	35 Å²	35	61.6 Å²	61.6	18%	0.179	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-43.4	172.5	-33	177.5	0	0	0	109.8	T49 I66 A82 I114	T49-I84 HydrophobicContact CG2-CD1 4.08Å; I66-I84 HydrophobicContact CG2-CB 4.35Å; I66-I84 HydrophobicContact CG2-CD1 3.83Å; I66-I84 HydrophobicContact CG2-CG1 4.2Å; I66-I84 PolarHBondContact O-N 3.07Å; A82-I84 PolarHBondContact O-N 3.21Å; I84-I114 WeakPolarHBondContact O-CA 3.35Å; I84-I114 WeakPolarHBondContact O-CB 3.49Å; I84-I114 PolarHBondContact O-N 2.83Å
85	D	67.2	Low	64.3	Low	3 Å²	3	54 Å²	54	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.7	-161.5	-125.5	-75.4	0	0	0	112.7	I66 L83 R110 V112 F186	I66-D85 HydrophobicContact CB-CB 3.8Å; I66-D85 HydrophobicContact CD1-CB 3.96Å; I66-D85 HydrophobicContact CG1-CB 4.03Å; I66-D85 HydrophobicContact CG2-CB 4.47Å; I66-D85 PolarHBondContact N-O 3.34Å; I66-D85 PolarHBondContact O-N 3.19Å; L83-D85 WeakPolarHBondContact CD1-O 3.31Å; D85-R110 WeakPolarHBondContact OD1-CG 3.27Å; D85-R110 IonicContact OD1-CZ 2.69Å; D85-R110 IonicContact OD1-NE 3.22Å; D85-R110 PolarHBondContact OD1-NE 3.41Å; D85-R110 IonicContact OD1-NH2 3.59Å; D85-R110 IonicContact OD2-CZ 3.09Å; D85-R110 VanDerWaalsContact OD2-CZ 3.25Å; D85-R110 IonicContact OD2-NE 3.73Å; D85-R110 PolarHBondContact OD2-NE 3.43Å; D85-R110 IonicContact OD2-NH2 2.68Å; D85-R110 PolarHBondContact OD2-NH2 2.89Å; D85-V112 WeakPolarHBondContact CA-O 3.42Å; D85-V112 VanDerWaalsContact CG-O 3.27Å; D85-F186 HydrophobicContact CB-CZ 4.33Å; D85-F186 VanDerWaalsContact CG-CZ 3.47Å; D85-F186 WeakPolarHBondContact OD2-CZ 3.21Å
86	L	74.8	Confident	66.4	Low	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	121.6	176.3	179.1	59.9	0	0	0	109	Y17 A63 L64 F65 L111 V112	Y17-L86 HydrophobicContact CE1-CD2 4.15Å; Y17-L86 HydrophobicContact CE2-CD2 4.29Å; Y17-L86 WeakPolarHBondContact OH-CD2 3.48Å; A63-L86 HydrophobicContact CB-CD1 3.99Å; L64-L86 WeakPolarHBondContact O-CA 3.44Å; F65-L86 HydrophobicContact CD1-CD1 3.8Å; F65-L86 HydrophobicContact CD2-CD1 3.81Å; F65-L86 HydrophobicContact CE1-CD1 3.72Å; F65-L86 HydrophobicContact CE1-CD2 4.39Å; F65-L86 HydrophobicContact CE2-CD1 3.72Å; F65-L86 HydrophobicContact CG-CD1 3.84Å; F65-L86 HydrophobicContact CZ-CD1 3.68Å; L86-L111 HydrophobicContact CB-CB 4.3Å; L86-L111 HydrophobicContact CD2-CB 4.13Å; L86-L111 HydrophobicContact CD2-CD1 3.86Å; L86-L111 HydrophobicContact CG-CB 4.15Å; L86-L111 HydrophobicContact CG-CD1 4.1Å; L86-L111 PolarHBondContact O-N 3.45Å; L86-V112 HydrophobicContact CB-CB 4.14Å; L86-V112 HydrophobicContact CB-CG2 4Å; L86-V112 HydrophobicContact CD2-CG2 4.25Å
87	I	74.6	Confident	68.4	Low	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.7	179.1	-38.8	179.2	0	0	0	109.2	A63 L64 I66 V106 K109 F186	A63-I87 CarbonylContact C-O 3.59Å; A63-I87 WeakPolarHBondContact CA-O 3.39Å; L64-I87 HydrophobicContact CB-CB 4.16Å; L64-I87 HydrophobicContact CB-CG1 4.47Å; L64-I87 HydrophobicContact CD2-CD1 4.01Å; L64-I87 PolarHBondContact N-O 2.58Å; L64-I87 PolarHBondContact O-N 2.95Å; I66-I87 HydrophobicContact CD1-CD1 4.27Å; I87-V106 HydrophobicContact CD1-CG1 4.22Å; I87-K109 WeakPolarHBondContact CA-O 3.36Å; I87-K109 WeakPolarHBondContact CG2-O 3.46Å; I87-F186 HydrophobicContact CD1-CD2 3.43Å; I87-F186 VanDerWaalsContact CD1-CD2 3.43Å; I87-F186 HydrophobicContact CD1-CE2 3.45Å; I87-F186 VanDerWaalsContact CD1-CE2 3.45Å; I87-F186 HydrophobicContact CG1-CD2 4.47Å; I87-F186 HydrophobicContact CG1-CE2 4.03Å
88	V	74.5	Confident	69.9	Low	25 Å²	25	44 Å²	44	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.5	170.5	-169.5	0	0	0	0	110	D90 K109 L111	V88-D90 HydrophobicContact CG1-CB 3.95Å; V88-D90 PolarHBondContact O-N 3.12Å; V88-K109 PolarHBondContact N-O 3.04Å; V88-L111 HydrophobicContact CG2-CD1 3.56Å; V88-L111 HydrophobicContact CG2-CD2 3.9Å; V88-L111 HydrophobicContact CG2-CG 3.65Å
89	L	77.4	Confident	71.1	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	77.2	169.6	-50.6	-168.7	0	0	0	108.8	V53 S62 L64 F93 T203 L206	V53-L89 HydrophobicContact CG1-CD1 3.94Å; S62-L89 WeakPolarHBondContact O-CB 3.45Å; S62-L89 PolarHBondContact O-N 3.35Å; L64-L89 HydrophobicContact CB-CD2 4.27Å; L89-F93 HydrophobicContact CB-CG 4.44Å; L89-F93 HydrophobicContact CD2-CD1 4.04Å; L89-F93 HydrophobicContact CD2-CD2 3.29Å; L89-F93 HydrophobicContact CD2-CE1 3.94Å; L89-F93 HydrophobicContact CD2-CE2 3.17Å; L89-F93 HydrophobicContact CD2-CG 3.74Å; L89-F93 HydrophobicContact CD2-CZ 3.53Å; L89-T203 HydrophobicContact CD1-CG2 3.7Å; L89-T203 HydrophobicContact CD2-CG2 4.07Å; L89-L206 HydrophobicContact CD1-CB 4.2Å
90	D	72.9	Confident	72	Confident	52 Å²	52	53.4 Å²	53.4	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	-117.5	-163.7	175.4	71	15.6	0	0	0	112.2	V88 D92 F93 K109	V88-D90 HydrophobicContact CG1-CB 3.95Å; V88-D90 PolarHBondContact O-N 3.12Å; D90-D92 PolarHBondContact O-N 2.64Å; D90-D92 VanDerWaalsContact O-N 3.1Å; D90-D92 PolarHBondContact OD1-N 2.82Å; D90-F93 VanDerWaalsContact O-CB 3.23Å; D90-F93 WeakPolarHBondContact O-CB 3.19Å; D90-F93 PolarHBondContact O-N 2.8Å; D90-K109 IonicContact OD1-NZ 2.74Å; D90-K109 PolarHBondContact OD1-NZ 3.12Å; D90-K109 WeakPolarHBondContact OD2-CD 3.41Å; D90-K109 IonicContact OD2-NZ 3.13Å; D90-K109 PolarHBondContact OD2-NZ 3.18Å
91	E	68.6	Low	72.6	Confident	198 Å²	198	49.4 Å²	49.4	93%	0.925	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.6	-175.1	-61.7	-171.3	161.2	0	0	114.4	F93	E91-F93 VanDerWaalsContact C-N 3.35Å
92	D	68.5	Low	73.4	Confident	93 Å²	93	51.9 Å²	51.9	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.3	176.2	-67.1	-47.1	0	0	0	113.2	D90 K109	D90-D92 PolarHBondContact O-N 2.64Å; D90-D92 VanDerWaalsContact O-N 3.1Å; D90-D92 PolarHBondContact OD1-N 2.82Å; D92-K109 HydrophobicContact CB-CG 4.32Å; D92-K109 WeakPolarHBondContact OD2-CE 3.34Å; D92-K109 IonicContact OD2-NZ 3.8Å; D92-K109 PolarHBondContact OD2-NZ 3.24Å
93	F	81.1	Confident	74.2	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.075	27%	0.274	C	S	.	.			trans	-85	127.4	-179.3	-176.2	-91.9	0	0	0	112.7	L89 D90 E91 C95 V106 T107 T203	L89-F93 HydrophobicContact CB-CG 4.44Å; L89-F93 HydrophobicContact CD2-CD1 4.04Å; L89-F93 HydrophobicContact CD2-CD2 3.29Å; L89-F93 HydrophobicContact CD2-CE1 3.94Å; L89-F93 HydrophobicContact CD2-CE2 3.17Å; L89-F93 HydrophobicContact CD2-CG 3.74Å; L89-F93 HydrophobicContact CD2-CZ 3.53Å; D90-F93 VanDerWaalsContact O-CB 3.23Å; D90-F93 WeakPolarHBondContact O-CB 3.19Å; D90-F93 PolarHBondContact O-N 2.8Å; E91-F93 VanDerWaalsContact C-N 3.35Å; F93-C95 HydrophobicContact CE1-CB 3.87Å; F93-C95 HydrophobicContact CZ-CB 4.15Å; F93-V106 HydrophobicContact CD2-CG1 4.49Å; F93-V106 HydrophobicContact CE2-CG1 3.4Å; F93-V106 VanDerWaalsContact CE2-CG1 3.4Å; F93-V106 HydrophobicContact CZ-CG1 3.69Å; F93-T107 VanDerWaalsContact CA-O 3.31Å; F93-T107 WeakPolarHBondContact CA-O 3.19Å; F93-T107 WeakPolarHBondContact CD2-O 3.36Å; F93-T203 HydrophobicContact CE1-CG2 3.74Å; F93-T203 HydrophobicContact CZ-CG2 3.61Å
94	S	77.3	Confident	74.8	Confident	37 Å²	37	49.9 Å²	49.9	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.9	170.3	86.4	0	0	0	0	112	V106 T107	S94-V106 WeakPolarHBondContact O-CA 3.35Å; S94-T107 WeakPolarHBondContact CB-OG1 3.34Å; S94-T107 PolarHBondContact N-O 3.4Å; S94-T107 PolarHBondContact N-OG1 3.39Å; S94-T107 PolarHBondContact O-N 2.88Å; S94-T107 WeakPolarHBondContact OG-CG2 3.48Å; S94-T107 PolarHBondContact OG-OG1 2.93Å
95	C	82.6	Confident	75.4	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.02	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	109.3	175	-174.7	0	0	0	0	110	F93 L105 R200 L204	F93-C95 HydrophobicContact CE1-CB 3.87Å; F93-C95 HydrophobicContact CZ-CB 4.15Å; C95-L105 WeakPolarHBondContact CA-O 3.15Å; C95-R200 PolarHBondContact O-NE 2.95Å; C95-R200 PolarHBondContact O-NH2 3.15Å; C95-L204 HydrophobicContact CB-CD2 3.92Å; C95-L204 HydrophobicContact CB-CG 4.17Å
96	E	80	Confident	75.9	Confident	115 Å²	115	50.6 Å²	50.6	54%	0.537	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.4	-176.1	-61.2	-170.9	152.1	0	0	109.9	L104 L105	E96-L104 CarbonylContact O-C 3.59Å; E96-L104 VanDerWaalsContact O-CA 3.3Å; E96-L104 WeakPolarHBondContact O-CA 3.38Å; E96-L105 PolarHBondContact N-O 3.37Å; E96-L105 PolarHBondContact O-N 3.27Å
97	A	80	Confident	76	Confident	40 Å²	40	51.6 Å²	51.6	33%	0.331	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.3	173	0	0	0	0	0	109.2	L104	A97-L104 HydrophobicContact CB-CD2 3.85Å
98	T	75.3	Confident	76	Confident	58 Å²	58	51.6 Å²	51.6	36%	0.356	28%	0.279	S	S	.	.			trans	-72.2	168.5	170.3	63.6	0	0	0	0	110.5	S100 G101 C103	T98-S100 PolarHBondContact O-N 3.2Å; T98-S100 PolarHBondContact OG1-OG 3.49Å; T98-S100 VanDerWaalsContact OG1-OG 3.06Å; T98-G101 PolarHBondContact O-N 3.38Å; T98-C103 HydrophobicContact CG2-CB 4.09Å; T98-C103 PolarHBondContact N-O 2.91Å; T98-C103 WeakPolarHBondContact OG1-CB 3.38Å; T98-C103 PolarHBondContact OG1-O 3.13Å; T98-C103 VanDerWaalsContact OG1-O 3.09Å
99	E	71.6	Confident	75.9	Confident	212 Å²	212	52.5 Å²	52.5	99%	0.991	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.4	179.2	-61	-179.6	161.7	0	0	114.6
100	S	72.7	Confident	75.4	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.1	177.2	64.9	0	0	0	0	114.5	T98 I102	T98-S100 PolarHBondContact O-N 3.2Å; T98-S100 PolarHBondContact OG1-OG 3.49Å; T98-S100 VanDerWaalsContact OG1-OG 3.06Å; S100-I102 PolarHBondContact O-N 2.9Å
101	G	71.5	Confident	75	Confident	14 Å²	14	55.7 Å²	55.7	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	68.4	-19.3	-173.6	0	0	0	0	0	115.7	T98 A196	T98-G101 PolarHBondContact O-N 3.38Å; G101-A196 WeakPolarHBondContact O-CB 3.41Å
102	I	76.9	Confident	74.7	Confident	56 Å²	56	47 Å²	47	29%	0.287	26%	0.255	S	S	.	.	S	Bend	trans	-89	-27.6	-176.3	-59.9	175.7	0	0	0	112.2	S100 F190 V193	S100-I102 PolarHBondContact O-N 2.9Å; I102-F190 HydrophobicContact CG2-CB 4.47Å; I102-F190 WeakPolarHBondContact CG2-O 3.2Å; I102-F190 PolarHBondContact O-N 3.04Å; I102-V193 HydrophobicContact CD1-CG2 4.35Å; I102-V193 HydrophobicContact CG1-CG2 3.56Å
103	C	78	Confident	74.1	Confident	14 Å²	14	47.3 Å²	47.3	10%	0.095	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.4	177.3	-59.7	0	0	0	0	110.9	T98 T187 L188	T98-C103 HydrophobicContact CG2-CB 4.09Å; T98-C103 PolarHBondContact N-O 2.91Å; T98-C103 WeakPolarHBondContact OG1-CB 3.38Å; T98-C103 PolarHBondContact OG1-O 3.13Å; T98-C103 VanDerWaalsContact OG1-O 3.09Å; C103-T187 HydrophobicContact CB-CG2 4.01Å; C103-L188 CarbonylContact C-O 3.54Å; C103-L188 WeakPolarHBondContact CA-O 3.37Å
104	L	78.6	Confident	72.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.7	173.6	-55.9	-178.7	0	0	0	110.1	E96 A97 V106 T187 L188 F190 A196 F199 R200	E96-L104 CarbonylContact O-C 3.59Å; E96-L104 VanDerWaalsContact O-CA 3.3Å; E96-L104 WeakPolarHBondContact O-CA 3.38Å; A97-L104 HydrophobicContact CB-CD2 3.85Å; L104-V106 HydrophobicContact CB-CG2 4.41Å; L104-T187 WeakPolarHBondContact O-CA 3.39Å; L104-L188 PolarHBondContact N-O 2.75Å; L104-L188 PolarHBondContact O-N 3.31Å; L104-F190 HydrophobicContact CB-CE2 4.39Å; L104-F190 HydrophobicContact CD1-CD2 4.31Å; L104-F190 HydrophobicContact CD1-CE2 3.5Å; L104-F190 VanDerWaalsContact CD1-CE2 3.5Å; L104-F190 HydrophobicContact CD1-CZ 3.96Å; L104-F190 HydrophobicContact CG-CD2 4.26Å; L104-F190 HydrophobicContact CG-CE2 3.8Å; L104-A196 HydrophobicContact CD1-CB 4.49Å; L104-A196 WeakPolarHBondContact CD1-O 3.3Å; L104-A196 HydrophobicContact CD2-CB 4.26Å; L104-A196 HydrophobicContact CG-CB 4.27Å; L104-F199 HydrophobicContact CD1-CD1 3.39Å; L104-F199 HydrophobicContact CD1-CE1 3.97Å; L104-F199 HydrophobicContact CD1-CG 4.38Å; L104-R200 HydrophobicContact CD1-CB 3.99Å; L104-R200 HydrophobicContact CD2-CB 4.22Å
105	L	78.7	Confident	71.1	Confident	53 Å²	53	52.8 Å²	52.8	28%	0.277	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123	163.2	-174.1	64	0	0	0	108.2	C95 E96 N185 F186	C95-L105 WeakPolarHBondContact CA-O 3.15Å; E96-L105 PolarHBondContact N-O 3.37Å; E96-L105 PolarHBondContact O-N 3.27Å; L105-N185 HydrophobicContact CD1-CB 4.11Å; L105-F186 WeakPolarHBondContact CA-O 3.48Å
106	V	78.3	Confident	68.8	Low	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.4	-179.5	175.3	0	0	0	0	108.6	L64 I87 F93 S94 L104 N185 F186 L188	L64-V106 HydrophobicContact CD2-CG1 4.36Å; I87-V106 HydrophobicContact CD1-CG1 4.22Å; F93-V106 HydrophobicContact CD2-CG1 4.49Å; F93-V106 HydrophobicContact CE2-CG1 3.4Å; F93-V106 VanDerWaalsContact CE2-CG1 3.4Å; F93-V106 HydrophobicContact CZ-CG1 3.69Å; S94-V106 WeakPolarHBondContact O-CA 3.35Å; L104-V106 HydrophobicContact CB-CG2 4.41Å; V106-N185 CarbonylContact O-C 3.54Å; V106-N185 WeakPolarHBondContact O-CA 3.44Å; V106-F186 PolarHBondContact N-O 2.72Å; V106-F186 PolarHBondContact O-N 3.4Å; V106-L188 HydrophobicContact CG2-CD1 3.92Å; V106-L188 HydrophobicContact CG2-CG 4.17Å
107	T	77	Confident	66.5	Low	22 Å²	22	57.6 Å²	57.6	14%	0.135	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.2	173.4	78.5	0	0	0	0	110.2	F93 S94 V184 N185	F93-T107 VanDerWaalsContact CA-O 3.31Å; F93-T107 WeakPolarHBondContact CA-O 3.19Å; F93-T107 WeakPolarHBondContact CD2-O 3.36Å; S94-T107 WeakPolarHBondContact CB-OG1 3.34Å; S94-T107 PolarHBondContact N-O 3.4Å; S94-T107 PolarHBondContact N-OG1 3.39Å; S94-T107 PolarHBondContact O-N 2.88Å; S94-T107 WeakPolarHBondContact OG-CG2 3.48Å; S94-T107 PolarHBondContact OG-OG1 2.93Å; T107-V184 WeakPolarHBondContact CA-O 3.42Å; T107-N185 WeakPolarHBondContact CG2-OD1 3.27Å
108	G	74.3	Confident	64.2	Low	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.2	175.9	172.9	0	0	0	0	0	113.9	R110 V184	G108-R110 PolarHBondContact O-N 3.33Å; G108-V184 PolarHBondContact N-O 2.9Å; G108-V184 PolarHBondContact O-N 2.94Å
109	K	72.5	Confident	62.1	Low	45 Å²	45	66.1 Å²	66.1	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.3	178.3	-66.2	-165.4	-171.8	73.2	0	111.4	I87 V88 D90 D92 F181	I87-K109 WeakPolarHBondContact CA-O 3.36Å; I87-K109 WeakPolarHBondContact CG2-O 3.46Å; V88-K109 PolarHBondContact N-O 3.04Å; D90-K109 IonicContact OD1-NZ 2.74Å; D90-K109 PolarHBondContact OD1-NZ 3.12Å; D90-K109 WeakPolarHBondContact OD2-CD 3.41Å; D90-K109 IonicContact OD2-NZ 3.13Å; D90-K109 PolarHBondContact OD2-NZ 3.18Å; D92-K109 HydrophobicContact CB-CG 4.32Å; D92-K109 WeakPolarHBondContact OD2-CE 3.34Å; D92-K109 IonicContact OD2-NZ 3.8Å; D92-K109 PolarHBondContact OD2-NZ 3.24Å; K109-F181 HydrophobicContact CB-CB 4.23Å; K109-F181 HydrophobicContact CD-CB 4.12Å; K109-F181 HydrophobicContact CD-CD2 4.37Å; K109-F181 HydrophobicContact CD-CG 4.42Å; K109-F181 HydrophobicContact CG-CB 4.28Å
110	R	67.3	Low	60.3	Low	49 Å²	49	64.4 Å²	64.4	19%	0.185	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.2	174.5	-148.5	-174.9	-167.6	-178.6	-4	111.8	D85 G108 N113 F181 S182 V184	D85-R110 WeakPolarHBondContact OD1-CG 3.27Å; D85-R110 IonicContact OD1-CZ 2.69Å; D85-R110 IonicContact OD1-NE 3.22Å; D85-R110 PolarHBondContact OD1-NE 3.41Å; D85-R110 IonicContact OD1-NH2 3.59Å; D85-R110 IonicContact OD2-CZ 3.09Å; D85-R110 VanDerWaalsContact OD2-CZ 3.25Å; D85-R110 IonicContact OD2-NE 3.73Å; D85-R110 PolarHBondContact OD2-NE 3.43Å; D85-R110 IonicContact OD2-NH2 2.68Å; D85-R110 PolarHBondContact OD2-NH2 2.89Å; G108-R110 PolarHBondContact O-N 3.33Å; R110-N113 VanDerWaalsContact CZ-CB 3.49Å; R110-N113 VanDerWaalsContact CZ-CG 3.44Å; R110-N113 VanDerWaalsContact NH1-CG 3.27Å; R110-N113 PolarHBondContact NH1-ND2 3.44Å; R110-N113 PolarHBondContact NH1-OD1 2.95Å; R110-N113 VanDerWaalsContact NH2-CG 3.31Å; R110-N113 PolarHBondContact NH2-OD1 3.49Å; R110-F181 WeakPolarHBondContact O-CD1 3.41Å; R110-S182 PolarHBondContact N-O 3.26Å; R110-V184 HydrophobicContact CB-CG1 4.33Å; R110-V184 HydrophobicContact CB-CG2 3.68Å; R110-V184 HydrophobicContact CG-CG2 3.81Å
111	L	64.1	Low	58.2	Low	77 Å²	77	69.2 Å²	69.2	40%	0.403	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-31.6	171.8	-63.1	-175.4	0	0	0	113.8	L86 V88 F181	L86-L111 HydrophobicContact CB-CB 4.3Å; L86-L111 HydrophobicContact CD2-CB 4.13Å; L86-L111 HydrophobicContact CD2-CD1 3.86Å; L86-L111 HydrophobicContact CG-CB 4.15Å; L86-L111 HydrophobicContact CG-CD1 4.1Å; L86-L111 PolarHBondContact O-N 3.45Å; V88-L111 HydrophobicContact CG2-CD1 3.56Å; V88-L111 HydrophobicContact CG2-CD2 3.9Å; V88-L111 HydrophobicContact CG2-CG 3.65Å; L111-F181 HydrophobicContact CD2-CD1 3.96Å; L111-F181 HydrophobicContact CD2-CE1 3.55Å; L111-F181 HydrophobicContact CD2-CZ 4.28Å
112	V	61.6	Low	56.2	Low	17 Å²	17	73.9 Å²	73.9	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.2	-172.2	-173.8	0	0	0	0	110.2	D85 L86 I114 L128	D85-V112 WeakPolarHBondContact CA-O 3.42Å; D85-V112 VanDerWaalsContact CG-O 3.27Å; L86-V112 HydrophobicContact CB-CB 4.14Å; L86-V112 HydrophobicContact CB-CG2 4Å; L86-V112 HydrophobicContact CD2-CG2 4.25Å; V112-I114 HydrophobicContact CG1-CD1 3.99Å; V112-I114 HydrophobicContact CG1-CG1 3.69Å; V112-L128 HydrophobicContact CG2-CD1 4.19Å; V112-L128 HydrophobicContact CG2-CD2 4.42Å
113	N	56.4	Low	54	Low	99 Å²	99	79.2 Å²	79.2	53%	0.529	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.2	175.3	175.9	16.9	0	0	0	110.1	R110 S115	R110-N113 VanDerWaalsContact CZ-CB 3.49Å; R110-N113 VanDerWaalsContact CZ-CG 3.44Å; R110-N113 VanDerWaalsContact NH1-CG 3.27Å; R110-N113 PolarHBondContact NH1-ND2 3.44Å; R110-N113 PolarHBondContact NH1-OD1 2.95Å; R110-N113 VanDerWaalsContact NH2-CG 3.31Å; R110-N113 PolarHBondContact NH2-OD1 3.49Å; N113-S115 WeakPolarHBondContact OD1-CB 3.38Å; N113-S115 PolarHBondContact OD1-N 2.76Å
114	I	53.6	Low	51.6	Low	81 Å²	81	87.6 Å²	87.6	42%	0.415	45%	0.448	S	S	.	.			trans	-113.8	48.7	172.4	-38.1	-163.3	0	0	0	110.5	L83 I84 V112 A116 L126	L83-I114 WeakPolarHBondContact O-CD1 3.11Å; I84-I114 WeakPolarHBondContact O-CA 3.35Å; I84-I114 WeakPolarHBondContact O-CB 3.49Å; I84-I114 PolarHBondContact O-N 2.83Å; V112-I114 HydrophobicContact CG1-CD1 3.99Å; V112-I114 HydrophobicContact CG1-CG1 3.69Å; I114-A116 PolarHBondContact O-N 3.2Å; I114-L126 HydrophobicContact CD1-CD2 4.48Å
115	S	42.7	Very low	49.1	Very low	87 Å²	87	94.6 Å²	94.6	61%	0.608	48%	0.481	S	S	*	.			trans	-73.9	119.2	165.4	-176.2	0	0	0	0	110.2	N113	N113-S115 WeakPolarHBondContact OD1-CB 3.38Å; N113-S115 PolarHBondContact OD1-N 2.76Å
116	A	33.8	Very low	46.6	Very low	98 Å²	98	98.7 Å²	98.7	81%	0.81	50%	0.503	S	S	*	.			trans	-84.5	122.1	-175.9	0	0	0	0	0	113.2	I114	I114-A116 PolarHBondContact O-N 3.2Å
117	D	32	Very low	44	Very low	121 Å²	121	104.9 Å²	104.9	65%	0.647	53%	0.53	S	S	*	.				-167.9	114.1	101.4	-176.2	14.3	0	0	0	111	K119	D117-K119 PolarHBondContact OD1-N 2.8Å
118	E	31.8	Very low	41.6	Very low	107 Å²	107	107.6 Å²	107.6	50%	0.5	54%	0.543	S	S	.	.	S	Bend	trans	-150.8	82.3	144.3	-131.1	-177	-152.4	0	0	111.6
119	K	29.7	Very low	39.3	Very low	171 Å²	171	116.3 Å²	116.3	74%	0.743	58%	0.577	S	S	*	*	S	Bend	trans	30.1	103.8	152.4	-65.9	169.5	-175.1	164	0	118.5	D117	D117-K119 PolarHBondContact OD1-N 2.8Å
120	K	35.1	Very low	37	Very low	176 Å²	176	119 Å²	119	77%	0.765	60%	0.597	S	S	*	*			trans	111.4	88.5	159.5	-62.8	169.9	-179.6	179.9	0	115.4	T122	K120-T122 PolarHBondContact O-N 3.33Å
121	R	29.1	Very low	35.1	Very low	167 Å²	167	122.8 Å²	122.8	63%	0.63	63%	0.625	S	S	*	*			trans	-61.5	121.6	150.9	-84.5	177.2	157.3	140.2	-8.4	109.6	N72	N72-R121 PolarHBondContact O-NH1 3.18Å
122	T	29.4	Very low	33.3	Very low	112 Å²	112	124.4 Å²	124.4	69%	0.687	64%	0.643	S	S	*	*			trans	-147.3	128.8	157.4	45.1	0	0	0	0	109.2	K120	K120-T122 PolarHBondContact O-N 3.33Å
123	N	29.1	Very low	31.8	Very low	168 Å²	168	130.2 Å²	130.2	90%	0.898	67%	0.673	S	S	*	*	S	Bend	trans	69.3	148.1	178.2	-60.6	-5.3	0	0	0	117.1
124	Q	28.7	Very low	30.4	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	69%	0.685	S	S	*	*			trans	-92.4	126.9	-170.2	-60.6	159.9	-23.9	0	0	111
125	Q	26.7	Very low	29.2	Very low	147 Å²	147	137.2 Å²	137.2	69%	0.687	70%	0.697	S	S	*	*			trans	178.2	121.6	139.4	-102.3	165.5	17.9	0	0	110.4	K127	Q125-K127 VanDerWaalsContact C-N 3.34Å; Q125-K127 HydrophobicContact CB-CD 4.43Å; Q125-K127 HydrophobicContact CB-CG 4.34Å; Q125-K127 PolarHBondContact O-N 2.85Å; Q125-K127 VanDerWaalsContact O-N 3.08Å
126	L	25.2	Very low	28.7	Very low	140 Å²	140	139.8 Å²	139.8	73%	0.733	70%	0.703	S	S	*	*			trans	-75.6	89.3	163.1	-97.3	162.7	0	0	0	108.3	I114	I114-L126 HydrophobicContact CD1-CD2 4.48Å
127	K	24.6	Very low	28.5	Very low	129 Å²	129	141.5 Å²	141.5	56%	0.561	70%	0.699	S	S	*	*			trans	-96.8	80.9	173.6	-91.8	171	165.7	156.2	0	110.3	Q125 Y129	Q125-K127 VanDerWaalsContact C-N 3.34Å; Q125-K127 HydrophobicContact CB-CD 4.43Å; Q125-K127 HydrophobicContact CB-CG 4.34Å; Q125-K127 PolarHBondContact O-N 2.85Å; Q125-K127 VanDerWaalsContact O-N 3.08Å; K127-Y129 HydrophobicContact CB-CD2 4.48Å; K127-Y129 HydrophobicContact CB-CE2 3.9Å
128	L	26.2	Very low	28.4	Very low	79 Å²	79	140.1 Å²	140.1	41%	0.414	70%	0.699	S	S	.	*			trans	-81.8	132.9	156.9	-82.8	159.5	0	0	0	107.9	Y17 V112	Y17-L128 HydrophobicContact CE2-CD1 4.34Å; V112-L128 HydrophobicContact CG2-CD1 4.19Å; V112-L128 HydrophobicContact CG2-CD2 4.42Å
129	Y	24.8	Very low	28.3	Very low	184 Å²	184	142.8 Å²	142.8	72%	0.722	72%	0.715	S	S	*	*			trans	-105.4	122.6	-175.8	-74	-99.4	0	0	0	109.9	K127	K127-Y129 HydrophobicContact CB-CD2 4.48Å; K127-Y129 HydrophobicContact CB-CE2 3.9Å
130	V	25.2	Very low	28.2	Very low	101 Å²	101	142.6 Å²	142.6	61%	0.612	72%	0.717	S	S	*	*			trans	-123.1	132.2	163.9	175.3	0	0	0	0	107.5	H21	H21-V130 VanDerWaalsContact CD2-CG2 3.45Å; H21-V130 WeakPolarHBondContact CD2-CG2 3.45Å
131	V	26.9	Very low	28	Very low	129 Å²	129	139.8 Å²	139.8	78%	0.782	72%	0.717	S	S	*	*			trans	-131.5	115.5	-177.7	179.3	0	0	0	0	109.2
132	S	27.3	Very low	28	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	73%	0.725	S	S	*	*			trans	-85.3	161	167.3	53.3	0	0	0	0	111.3
133	N	29.3	Very low	28	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	73%	0.727	S	S	*	*			trans	-62.5	136.5	-173.6	-91.7	-57.9	0	0	0	114.9
134	R	28	Very low	28	Very low	204 Å²	204	138.9 Å²	138.9	77%	0.77	72%	0.715	S	S	*	*			trans	72.4	158.7	133.5	-72.6	-179.3	-166.8	-137.8	3.4	119.1
135	D	28.3	Very low	28.1	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	71%	0.705	S	S	*	*			cis	-137.8	-179.4	10.5	-111.9	-37.1	0	0	0	112.8
136	N	30.5	Very low	28.2	Very low	140 Å²	140	134 Å²	134	75%	0.749	70%	0.704	S	S	*	*			trans	73.7	135.8	174.5	-59.5	8.2	0	0	0	116.6
137	D	30.7	Very low	28.3	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	70%	0.701	S	S	*	*			cis	-150.1	174.5	-1.8	-132.5	-51.5	0	0	0	113.8
138	S	29.7	Very low	28.5	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	71%	0.71	S	S	*	*			trans	-67	168.2	-173.5	56.4	0	0	0	0	116.1
139	L	29.4	Very low	28.5	Very low	162 Å²	162	135.1 Å²	135.1	85%	0.848	72%	0.724	S	S	*	*			cis	-144.8	166.2	28.2	-90.2	96.7	0	0	0	115.4
140	H	27.2	Very low	28.7	Very low	167 Å²	167	133.4 Å²	133.4	77%	0.773	73%	0.727	S	S	*	*			trans	-97.2	159.2	162.1	-83.5	-75.3	0	0	0	112.4
141	P	32	Very low	28.7	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	73%	0.726	S	S	*	*				-125.8	152.9	91.4	3.8	19	0	0	0	112.8
142	K	29.5	Very low	28.7	Very low	185 Å²	185	133.6 Å²	133.6	80%	0.804	73%	0.727	S	S	*	*				72.2	140.1	51.5	-67.2	-171.2	174	-174.6	0	112.6
143	V	28.5	Very low	28.6	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	73%	0.728	S	S	*	*			cis	-165.1	169.9	15.7	89.5	0	0	0	0	109.1
144	N	29.4	Very low	28.4	Very low	121 Å²	121	138 Å²	138	65%	0.647	74%	0.736	S	S	*	*			cis	-167.3	168.4	-8.7	-141.9	17.4	0	0	0	111
145	N	29.6	Very low	28.3	Very low	124 Å²	124	133.4 Å²	133.4	66%	0.663	73%	0.73	S	S	*	*			trans	65.5	151.7	145.7	-71.6	7.8	0	0	0	122.8
146	T	29.3	Very low	28.1	Very low	110 Å²	110	138.2 Å²	138.2	68%	0.675	74%	0.741	S	S	*	*			cis	-166.9	161.4	-9.1	21.8	0	0	0	0	111.6
147	S	28	Very low	27.8	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	73%	0.734	S	S	*	*			trans	61.3	148.5	152.8	48	0	0	0	0	119.4
148	D	28	Very low	27.5	Very low	138 Å²	138	138 Å²	138	74%	0.738	74%	0.738	S	S	*	*			cis	-162.5	164	-7.4	-99.9	-21	0	0	0	110
149	I	26	Very low	27.3	Very low	139 Å²	139	140.9 Å²	140.9	71%	0.713	75%	0.746	S	S	*	*			trans	40.6	127.1	139.6	-59	166.8	0	0	0	118
150	D	29.1	Very low	27.3	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	74%	0.742	S	S	*	*				-164.3	-169.8	65.3	-140.9	-37.2	0	0	0	115.2
151	S	25.5	Very low	27.1	Very low	86 Å²	86	137.1 Å²	137.1	60%	0.601	74%	0.743	S	S	*	*			trans	-68.9	177	179.7	53.4	0	0	0	0	115.6
152	D	27.5	Very low	26.7	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	75%	0.747	S	S	*	*			cis	-155	179.7	24.9	-129.9	-37.3	0	0	0	114.2
153	N	24.8	Very low	26.3	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	74%	0.74	S	S	*	*			trans	-107.4	150.6	-177.2	-70	-87.5	0	0	0	115.3
154	E	25.8	Very low	26.3	Very low	195 Å²	195	141.8 Å²	141.8	91%	0.911	75%	0.747	S	S	*	*			trans	-156.4	-178.6	136.4	-129.1	176.9	-156.5	0	0	113.4
155	T	24.7	Very low	26.1	Very low	107 Å²	107	139.7 Å²	139.7	66%	0.656	74%	0.742	S	S	*	*			trans	-141.7	140.8	-155.4	54.6	0	0	0	0	115.9
156	Y	24.2	Very low	25.9	Very low	224 Å²	224	142.3 Å²	142.3	88%	0.878	76%	0.755	S	S	*	*				159.6	148.7	119	-101.6	-79.9	0	0	0	117.3
157	S	24.7	Very low	25.7	Very low	88 Å²	88	144 Å²	144	62%	0.615	75%	0.753	S	S	*	*			trans	77.7	94.6	140.6	-169.9	0	0	0	0	123.6
158	K	25.4	Very low	25.6	Very low	183 Å²	183	144.3 Å²	144.3	80%	0.796	76%	0.755	S	S	*	*				77.1	120.8	126.7	-66.9	177.7	-179.3	172	0	122.5
159	N	24.7	Very low	25.4	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	76%	0.756	S	S	*	*			trans	90.6	152.4	133.5	-75.1	6.5	0	0	0	120.1
160	P	29.3	Very low	25.6	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	77%	0.765	S	S	*	*			trans	-116	172	-142.3	42.3	-35	0	0	0	114.9
161	V	23.3	Very low	25.3	Very low	133 Å²	133	150.5 Å²	150.5	81%	0.806	77%	0.768	S	S	*	*			trans	-160.3	132.7	147.3	130.8	0	0	0	0	112.3
162	F	22.8	Very low	25.4	Very low	192 Å²	192	156 Å²	156	84%	0.842	78%	0.782	S	S	*	*			trans	27.4	137.9	158.9	-76.2	-96.2	0	0	0	125.8
163	L	22.7	Very low	25.4	Very low	125 Å²	125	154.8 Å²	154.8	65%	0.654	78%	0.782	S	S	*	*			trans	-39.8	155.7	158.3	-70.2	156	0	0	0	116.6
164	K	27.8	Very low	25.7	Very low	205 Å²	205	155.5 Å²	155.5	89%	0.891	78%	0.784	S	S	*	*			trans	-150.1	117.5	153.3	-146.7	173	-171.9	177.2	0	111.8
165	S	24.9	Very low	25.9	Very low	78 Å²	78	153.6 Å²	153.6	55%	0.545	78%	0.78	S	S	.	*			trans	-65.7	146.5	-177.8	68.3	0	0	0	0	115
166	L	26.2	Very low	26.2	Very low	179 Å²	179	158 Å²	158	94%	0.937	79%	0.79	S	S	*	*			trans	-136.8	156.7	151.5	-101.1	168.1	0	0	0	110
167	K	24.7	Very low	26.4	Very low	145 Å²	145	155.6 Å²	155.6	63%	0.63	79%	0.787	S	S	*	*			trans	-121.3	158.5	-176.8	-78	-165.7	168.2	-148	0	110.8
168	S	25.4	Very low	26.7	Very low	101 Å²	101	158.2 Å²	158.2	71%	0.706	79%	0.794	S	S	*	*			trans	61.2	126.3	161.7	31.3	0	0	0	0	114.7
169	D	24.2	Very low	27.3	Very low	140 Å²	140	156.6 Å²	156.6	75%	0.749	79%	0.792	S	S	*	*			cis	-155	-170.7	22.2	-85.5	-42.6	0	0	0	112
170	Y	28.9	Very low	28	Very low	229 Å²	229	157.9 Å²	157.9	90%	0.898	79%	0.794	S	S	*	*			trans	80.3	144.8	166	-72.9	-83.2	0	0	0	119.4
171	Q	23.9	Very low	29.1	Very low	185 Å²	185	157.8 Å²	157.8	86%	0.864	78%	0.781	S	S	*	*			trans	-96.6	128.4	-179.1	-57.3	156.1	-64.7	0	0	110
172	K	27.7	Very low	30.7	Very low	203 Å²	203	155 Å²	155	88%	0.883	77%	0.768	S	S	*	*			trans	-169.6	148.5	142.7	-107.1	163.3	-175.5	-177.9	0	110
173	P	28.1	Very low	32.5	Very low	122 Å²	122	149.4 Å²	149.4	79%	0.792	75%	0.752	S	S	*	*			trans	-79.9	156.5	175.6	34.2	-34.3	0	0	0	111.4
174	I	29.5	Very low	34.6	Very low	163 Å²	163	144.6 Å²	144.6	84%	0.836	73%	0.728	S	S	*	*			trans	-123.4	157.4	165.6	-66	178.5	0	0	0	107.2
175	D	31	Very low	36.5	Very low	154 Å²	154	140 Å²	140	82%	0.824	71%	0.713	S	S	*	*			trans	-74.4	172.1	-149.8	-65.7	-82	0	0	0	118.1
176	K	30.3	Very low	38.7	Very low	201 Å²	201	137 Å²	137	87%	0.874	69%	0.69	S	S	*	*			trans	-76.3	116.2	176.9	-57.6	166.1	-176.7	169.1	0	110.3
177	E	28.6	Very low	41	Very low	172 Å²	172	130.6 Å²	130.6	80%	0.804	66%	0.659	S	S	*	*			trans	-166.8	150.6	141.9	-111.4	158.5	-144.4	0	0	111.8
178	N	30.4	Very low	43.5	Very low	144 Å²	144	123.7 Å²	123.7	77%	0.77	63%	0.629	S	S	*	*			trans	45.9	67.3	162.1	-60.9	-33	0	0	0	119.1	Q180	N178-Q180 PolarHBondContact O-N 3.43Å
179	I	38.7	Very low	46	Very low	148 Å²	148	120.1 Å²	120.1	76%	0.759	60%	0.601	S	S	*	*			trans	-75.3	100.4	154.1	-59.1	178.4	0	0	0	108.3	F181	I179-F181 PolarHBondContact O-N 2.94Å
180	Q	38.6	Very low	48.7	Very low	181 Å²	181	113.7 Å²	113.7	85%	0.846	57%	0.566	S	S	*	*			trans	-72.5	114.9	169.6	-78.3	-173	-21.8	0	0	110.5	N178 S182	N178-Q180 PolarHBondContact O-N 3.43Å; Q180-S182 PolarHBondContact O-N 3.47Å; Q180-S182 VanDerWaalsContact O-N 3.17Å
181	F	53	Low	50.7	Low	114 Å²	114	107.7 Å²	107.7	50%	0.5	55%	0.55	S	S	.	*			trans	-69.8	106.3	163.9	-58.2	-69.3	0	0	0	108.6	K109 R110 L111 I179	K109-F181 HydrophobicContact CB-CB 4.23Å; K109-F181 HydrophobicContact CD-CB 4.12Å; K109-F181 HydrophobicContact CD-CD2 4.37Å; K109-F181 HydrophobicContact CD-CG 4.42Å; K109-F181 HydrophobicContact CG-CB 4.28Å; R110-F181 WeakPolarHBondContact O-CD1 3.41Å; L111-F181 HydrophobicContact CD2-CD1 3.96Å; L111-F181 HydrophobicContact CD2-CE1 3.55Å; L111-F181 HydrophobicContact CD2-CZ 4.28Å; I179-F181 PolarHBondContact O-N 2.94Å
182	S	56.5	Low	53.4	Low	74 Å²	74	101.6 Å²	101.6	52%	0.517	52%	0.523	S	S	.	.			trans	-70.2	132.9	171.6	34.6	0	0	0	0	109.8	R110 Q180	R110-S182 PolarHBondContact N-O 3.26Å; Q180-S182 PolarHBondContact O-N 3.47Å; Q180-S182 VanDerWaalsContact O-N 3.17Å
183	S	62.4	Low	55.7	Low	74 Å²	74	94.9 Å²	94.9	52%	0.517	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.3	162.2	-175	0	0	0	0	108.4
184	V	66.1	Low	58.1	Low	25 Å²	25	95.2 Å²	95.2	15%	0.152	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.1	-178.7	-70.9	0	0	0	0	111.2	T107 G108 R110 F186	T107-V184 WeakPolarHBondContact CA-O 3.42Å; G108-V184 PolarHBondContact N-O 2.9Å; G108-V184 PolarHBondContact O-N 2.94Å; R110-V184 HydrophobicContact CB-CG1 4.33Å; R110-V184 HydrophobicContact CB-CG2 3.68Å; R110-V184 HydrophobicContact CG-CG2 3.81Å; V184-F186 HydrophobicContact CB-CE2 4.17Å; V184-F186 HydrophobicContact CG2-CD2 4.19Å; V184-F186 HydrophobicContact CG2-CE2 3.43Å; V184-F186 VanDerWaalsContact CG2-CE2 3.43Å; V184-F186 HydrophobicContact CG2-CZ 4.13Å
185	N	68.3	Low	60.2	Low	107 Å²	107	88.8 Å²	88.8	57%	0.572	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	121	-176.3	-63.1	6.1	0	0	0	109.4	L105 V106 T107	L105-N185 HydrophobicContact CD1-CB 4.11Å; V106-N185 CarbonylContact O-C 3.54Å; V106-N185 WeakPolarHBondContact O-CA 3.44Å; T107-N185 WeakPolarHBondContact CG2-OD1 3.27Å
186	F	70.4	Confident	62.4	Low	15 Å²	15	81.4 Å²	81.4	7%	0.066	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.4	172.1	-64.8	-86.2	0	0	0	110.3	D85 I87 L105 V106 V184 L188	D85-F186 HydrophobicContact CB-CZ 4.33Å; D85-F186 VanDerWaalsContact CG-CZ 3.47Å; D85-F186 WeakPolarHBondContact OD2-CZ 3.21Å; I87-F186 HydrophobicContact CD1-CD2 3.43Å; I87-F186 VanDerWaalsContact CD1-CD2 3.43Å; I87-F186 HydrophobicContact CD1-CE2 3.45Å; I87-F186 VanDerWaalsContact CD1-CE2 3.45Å; I87-F186 HydrophobicContact CG1-CD2 4.47Å; I87-F186 HydrophobicContact CG1-CE2 4.03Å; L105-F186 WeakPolarHBondContact CA-O 3.48Å; V106-F186 PolarHBondContact N-O 2.72Å; V106-F186 PolarHBondContact O-N 3.4Å; V184-F186 HydrophobicContact CB-CE2 4.17Å; V184-F186 HydrophobicContact CG2-CD2 4.19Å; V184-F186 HydrophobicContact CG2-CE2 3.43Å; V184-F186 VanDerWaalsContact CG2-CE2 3.43Å; V184-F186 HydrophobicContact CG2-CZ 4.13Å; F186-L188 HydrophobicContact CB-CD2 4.39Å
187	T	73.8	Confident	64.9	Low	45 Å²	45	76 Å²	76	28%	0.276	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.4	165.5	-55.6	0	0	0	0	109	L41 C103 L104	L41-T187 HydrophobicContact CB-CG2 4.35Å; L41-T187 HydrophobicContact CD1-CG2 4.15Å; L41-T187 PolarHBondContact N-O 2.56Å; C103-T187 HydrophobicContact CB-CG2 4.01Å; L104-T187 WeakPolarHBondContact O-CA 3.39Å
188	L	77.8	Confident	67.2	Low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	116	174.5	-55.1	-174.2	0	0	0	108.9	V38 I40 V51 L64 C103 L104 V106 F186 F190 F199	V38-L188 HydrophobicContact CG2-CD2 4.32Å; I40-L188 HydrophobicContact CD1-CD2 3.95Å; I40-L188 HydrophobicContact CG1-CD2 3.83Å; V51-L188 HydrophobicContact CG1-CD1 4.42Å; V51-L188 HydrophobicContact CG2-CD1 4.42Å; V51-L188 HydrophobicContact CG2-CD2 4.3Å; L64-L188 HydrophobicContact CD2-CD1 4.49Å; C103-L188 CarbonylContact C-O 3.54Å; C103-L188 WeakPolarHBondContact CA-O 3.37Å; L104-L188 PolarHBondContact N-O 2.75Å; L104-L188 PolarHBondContact O-N 3.31Å; V106-L188 HydrophobicContact CG2-CD1 3.92Å; V106-L188 HydrophobicContact CG2-CG 4.17Å; F186-L188 HydrophobicContact CB-CD2 4.39Å; L188-F190 HydrophobicContact CB-CE2 3.79Å; L188-F190 HydrophobicContact CB-CZ 4.43Å; L188-F199 HydrophobicContact CD1-CE1 3.96Å; L188-F199 HydrophobicContact CD1-CZ 3.79Å
189	E	77.5	Confident	69.7	Low	26 Å²	26	65 Å²	65	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.2	178.2	172.6	179.5	-131.4	0	0	109.8	V38 N39 L41 R46	V38-E189 CarbonylContact C-O 3.52Å; V38-E189 WeakPolarHBondContact CA-O 3.36Å; N39-E189 HydrophobicContact CB-CB 4.13Å; N39-E189 HydrophobicContact CB-CG 4.41Å; N39-E189 PolarHBondContact N-O 2.57Å; N39-E189 PolarHBondContact O-N 3.35Å; L41-E189 HydrophobicContact CD1-CB 3.97Å; L41-E189 HydrophobicContact CD1-CG 4.47Å; L41-E189 HydrophobicContact CG-CB 4.28Å; R46-E189 IonicContact CZ-OE1 2.98Å; R46-E189 IonicContact CZ-OE2 3.72Å; R46-E189 IonicContact NE-OE1 2.69Å; R46-E189 IonicContact NE-OE2 2.79Å; R46-E189 PolarHBondContact NE-OE2 3.42Å; R46-E189 VanDerWaalsContact NH2-CD 3.27Å; R46-E189 IonicContact NH2-OE1 2.75Å; R46-E189 PolarHBondContact NH2-OE1 3.35Å; R46-E189 IonicContact NH2-OE2 2.8Å; R46-E189 PolarHBondContact NH2-OE2 3.45Å
190	F	80.7	Confident	71.8	Confident	5 Å²	5	61 Å²	61	2%	0.022	32%	0.32	C	S	.	.			trans	-90	178.2	-179.9	-67.8	-103.2	0	0	0	111.2	F36 V38 I102 L104 L188 D195 A196 F199	F36-F190 HydrophobicContact CB-CE1 3.93Å; F36-F190 HydrophobicContact CD1-CD1 4.38Å; F36-F190 HydrophobicContact CD1-CE1 4.16Å; F36-F190 HydrophobicContact CG-CE1 4.01Å; V38-F190 HydrophobicContact CG1-CD1 3.71Å; V38-F190 HydrophobicContact CG1-CD2 4.25Å; V38-F190 HydrophobicContact CG1-CE1 3.45Å; V38-F190 VanDerWaalsContact CG1-CE1 3.45Å; V38-F190 HydrophobicContact CG1-CE2 3.99Å; V38-F190 HydrophobicContact CG1-CG 4.11Å; V38-F190 HydrophobicContact CG1-CZ 3.58Å; I102-F190 HydrophobicContact CG2-CB 4.47Å; I102-F190 WeakPolarHBondContact CG2-O 3.2Å; I102-F190 PolarHBondContact O-N 3.04Å; L104-F190 HydrophobicContact CB-CE2 4.39Å; L104-F190 HydrophobicContact CD1-CD2 4.31Å; L104-F190 HydrophobicContact CD1-CE2 3.5Å; L104-F190 VanDerWaalsContact CD1-CE2 3.5Å; L104-F190 HydrophobicContact CD1-CZ 3.96Å; L104-F190 HydrophobicContact CG-CD2 4.26Å; L104-F190 HydrophobicContact CG-CE2 3.8Å; L188-F190 HydrophobicContact CB-CE2 3.79Å; L188-F190 HydrophobicContact CB-CZ 4.43Å; F190-D195 HydrophobicContact CB-CB 4.34Å; F190-D195 HydrophobicContact CD1-CB 3.93Å; F190-A196 HydrophobicContact CB-CB 3.95Å; F190-A196 HydrophobicContact CD1-CB 4.45Å; F190-A196 HydrophobicContact CD2-CB 3.66Å; F190-A196 HydrophobicContact CE2-CB 4.33Å; F190-A196 HydrophobicContact CG-CB 3.75Å; F190-F199 HydrophobicContact CE1-CB 3.64Å; F190-F199 HydrophobicContact CE1-CD1 4.43Å; F190-F199 HydrophobicContact CE1-CD2 4.16Å; F190-F199 AromaticContact CE1-CG 3.83Å; F190-F199 HydrophobicContact CE1-CG 3.83Å; F190-F199 HydrophobicContact CE2-CD1 4.31Å; F190-F199 HydrophobicContact CZ-CB 3.66Å; F190-F199 AromaticContact CZ-CD1 3.6Å; F190-F199 HydrophobicContact CZ-CD1 3.6Å; F190-F199 AromaticContact CZ-CD2 3.92Å; F190-F199 HydrophobicContact CZ-CD2 3.92Å; F190-F199 HydrophobicContact CZ-CE1 4.17Å; F190-F199 HydrophobicContact CZ-CE2 4.46Å; F190-F199 AromaticContact CZ-CG 3.43Å; F190-F199 HydrophobicContact CZ-CG 3.43Å; F190-F199 VanDerWaalsContact CZ-CG 3.43Å
191	N	72.4	Confident	73.7	Confident	104 Å²	104	60.2 Å²	60.2	56%	0.556	31%	0.314	S	S	*	.	S	Bend	trans	-87.1	-18.4	177.8	-63	-53.4	0	0	0	113.3
192	N	78.7	Confident	74.7	Confident	57 Å²	57	58.8 Å²	58.8	31%	0.305	31%	0.308	S	S	.	.	S	Bend	trans	-156.6	172.2	178.1	59.1	72.5	0	0	0	109.7	D194 D195	N192-D194 PolarHBondContact OD1-N 3.31Å; N192-D194 VanDerWaalsContact OD1-N 3.12Å; N192-D195 PolarHBondContact ND2-OD2 2.82Å; N192-D195 WeakPolarHBondContact OD1-CB 3.47Å; N192-D195 PolarHBondContact OD1-N 3.06Å
193	V	77.1	Confident	75.6	Confident	61 Å²	61	55.3 Å²	55.3	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-73	-33.9	-178	179.3	0	0	0	0	111.9	I102 A196 M197	I102-V193 HydrophobicContact CD1-CG2 4.35Å; I102-V193 HydrophobicContact CG1-CG2 3.56Å; V193-A196 PolarHBondContact O-N 3.01Å; V193-M197 HydrophobicContact CG1-CG 3.95Å; V193-M197 WeakPolarHBondContact O-CB 3.29Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.34Å; V193-M197 PolarHBondContact O-N 3.09Å
194	D	77.4	Confident	76.3	Confident	129 Å²	129	54 Å²	54	69%	0.69	27%	0.27	S	S	*	.	H	α-helix	trans	-69.6	-43	-175.2	-60.1	-60.9	0	0	0	112.1	N192 A196 M197 E198	N192-D194 PolarHBondContact OD1-N 3.31Å; N192-D194 VanDerWaalsContact OD1-N 3.12Å; D194-A196 VanDerWaalsContact C-N 3.33Å; D194-A196 PolarHBondContact O-N 3.32Å; D194-M197 PolarHBondContact O-N 3.26Å; D194-E198 WeakPolarHBondContact O-CB 3.4Å; D194-E198 PolarHBondContact O-N 3.41Å
195	D	74.6	Confident	76.6	Confident	28 Å²	28	60 Å²	60	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-45.5	171.4	-77.8	-32.5	0	0	0	111.1	F36 F190 N192 F199	F36-D195 HydrophobicContact CD1-CB 4.21Å; F36-D195 HydrophobicContact CE1-CB 4.09Å; F190-D195 HydrophobicContact CB-CB 4.34Å; F190-D195 HydrophobicContact CD1-CB 3.93Å; N192-D195 PolarHBondContact ND2-OD2 2.82Å; N192-D195 WeakPolarHBondContact OD1-CB 3.47Å; N192-D195 PolarHBondContact OD1-N 3.06Å; D195-F199 VanDerWaalsContact O-CB 3.3Å; D195-F199 WeakPolarHBondContact O-CB 3.48Å; D195-F199 PolarHBondContact O-N 2.91Å
196	A	77.3	Confident	76.6	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-44.4	178.5	0	0	0	0	0	111.4	G101 L104 F190 V193 D194 F199 R200	G101-A196 WeakPolarHBondContact O-CB 3.41Å; L104-A196 HydrophobicContact CD1-CB 4.49Å; L104-A196 WeakPolarHBondContact CD1-O 3.3Å; L104-A196 HydrophobicContact CD2-CB 4.26Å; L104-A196 HydrophobicContact CG-CB 4.27Å; F190-A196 HydrophobicContact CB-CB 3.95Å; F190-A196 HydrophobicContact CD1-CB 4.45Å; F190-A196 HydrophobicContact CD2-CB 3.66Å; F190-A196 HydrophobicContact CE2-CB 4.33Å; F190-A196 HydrophobicContact CG-CB 3.75Å; V193-A196 PolarHBondContact O-N 3.01Å; D194-A196 VanDerWaalsContact C-N 3.33Å; D194-A196 PolarHBondContact O-N 3.32Å; A196-F199 PolarHBondContact O-N 3.34Å; A196-R200 VanDerWaalsContact O-CB 3.25Å; A196-R200 WeakPolarHBondContact O-CB 3.46Å; A196-R200 PolarHBondContact O-N 3.41Å
197	M	82	Confident	76.5	Confident	87 Å²	87	56.6 Å²	56.6	43%	0.429	28%	0.281	S	S	.	.	H	α-helix	trans	-73	-32.8	-179.2	-72	-66.9	-79.3	0	0	112.4	V193 D194 K201	V193-M197 HydrophobicContact CG1-CG 3.95Å; V193-M197 WeakPolarHBondContact O-CB 3.29Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.34Å; V193-M197 PolarHBondContact O-N 3.09Å; D194-M197 PolarHBondContact O-N 3.26Å; M197-K201 WeakPolarHBondContact O-CB 3.28Å; M197-K201 PolarHBondContact O-N 3.13Å
198	E	78.4	Confident	75.6	Confident	84 Å²	84	57.4 Å²	57.4	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-49.7	170.1	-175.3	177.7	146.2	0	0	111.1	F36 D194 R200 K201 K202	F36-E198 HydrophobicContact CZ-CB 4.45Å; F36-E198 HydrophobicContact CZ-CG 4.37Å; D194-E198 WeakPolarHBondContact O-CB 3.4Å; D194-E198 PolarHBondContact O-N 3.41Å; E198-R200 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 2.95Å; E198-K201 PolarHBondContact O-N 3.03Å; E198-K202 HydrophobicContact CG-CD 3.94Å; E198-K202 HydrophobicContact CG-CG 4.42Å; E198-K202 WeakPolarHBondContact O-CB 3.27Å; E198-K202 PolarHBondContact O-N 2.66Å; E198-K202 VanDerWaalsContact OE1-CE 3.27Å; E198-K202 WeakPolarHBondContact OE1-CE 3.11Å; E198-K202 IonicContact OE1-NZ 3.83Å; E198-K202 PolarHBondContact OE1-NZ 2.97Å
199	F	82.3	Confident	74.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-48.2	175.9	173.9	-84.6	0	0	0	110.8	F36 V51 V53 L64 L104 L188 F190 D195 A196 K202 T203	F36-F199 HydrophobicContact CD2-CB 4.14Å; F36-F199 AromaticContact CD2-CD2 3.66Å; F36-F199 HydrophobicContact CD2-CD2 3.66Å; F36-F199 HydrophobicContact CD2-CG 4.38Å; F36-F199 HydrophobicContact CE2-CB 3.87Å; F36-F199 HydrophobicContact CE2-CD2 4.03Å; F36-F199 HydrophobicContact CE2-CG 4.46Å; F36-F199 HydrophobicContact CG-CD2 4.41Å; F36-F199 HydrophobicContact CZ-CB 4.2Å; V51-F199 HydrophobicContact CG1-CE2 3.76Å; V51-F199 HydrophobicContact CG1-CZ 4.04Å; V53-F199 HydrophobicContact CG2-CD2 4.27Å; V53-F199 HydrophobicContact CG2-CE2 3.77Å; L64-F199 HydrophobicContact CD1-CE2 3.95Å; L64-F199 HydrophobicContact CD1-CZ 3.74Å; L64-F199 HydrophobicContact CD2-CZ 4.31Å; L104-F199 HydrophobicContact CD1-CD1 3.39Å; L104-F199 HydrophobicContact CD1-CE1 3.97Å; L104-F199 HydrophobicContact CD1-CG 4.38Å; L188-F199 HydrophobicContact CD1-CE1 3.96Å; L188-F199 HydrophobicContact CD1-CZ 3.79Å; F190-F199 HydrophobicContact CE1-CB 3.64Å; F190-F199 HydrophobicContact CE1-CD1 4.43Å; F190-F199 HydrophobicContact CE1-CD2 4.16Å; F190-F199 AromaticContact CE1-CG 3.83Å; F190-F199 HydrophobicContact CE1-CG 3.83Å; F190-F199 HydrophobicContact CE2-CD1 4.31Å; F190-F199 HydrophobicContact CZ-CB 3.66Å; F190-F199 AromaticContact CZ-CD1 3.6Å; F190-F199 HydrophobicContact CZ-CD1 3.6Å; F190-F199 AromaticContact CZ-CD2 3.92Å; F190-F199 HydrophobicContact CZ-CD2 3.92Å; F190-F199 HydrophobicContact CZ-CE1 4.17Å; F190-F199 HydrophobicContact CZ-CE2 4.46Å; F190-F199 AromaticContact CZ-CG 3.43Å; F190-F199 HydrophobicContact CZ-CG 3.43Å; F190-F199 VanDerWaalsContact CZ-CG 3.43Å; D195-F199 VanDerWaalsContact O-CB 3.3Å; D195-F199 WeakPolarHBondContact O-CB 3.48Å; D195-F199 PolarHBondContact O-N 2.91Å; A196-F199 PolarHBondContact O-N 3.34Å; F199-K202 PolarHBondContact O-N 3.41Å; F199-T203 HydrophobicContact CZ-CG2 4.5Å; F199-T203 WeakPolarHBondContact O-CB 3.35Å; F199-T203 PolarHBondContact O-N 3.45Å; F199-T203 PolarHBondContact O-OG1 2.98Å
200	R	82.2	Confident	72.4	Confident	66 Å²	66	67.7 Å²	67.7	25%	0.249	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-51.3	177.9	-179.5	172.4	-177.4	-112.8	-4.6	111.2	C95 L104 A196 E198 K202 T203 L204	C95-R200 PolarHBondContact O-NE 2.95Å; C95-R200 PolarHBondContact O-NH2 3.15Å; L104-R200 HydrophobicContact CD1-CB 3.99Å; L104-R200 HydrophobicContact CD2-CB 4.22Å; A196-R200 VanDerWaalsContact O-CB 3.25Å; A196-R200 WeakPolarHBondContact O-CB 3.46Å; A196-R200 PolarHBondContact O-N 3.41Å; E198-R200 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 2.95Å; R200-K202 PolarHBondContact O-N 3.34Å; R200-T203 PolarHBondContact O-N 3.43Å; R200-L204 HydrophobicContact CG-CD1 3.74Å; R200-L204 HydrophobicContact CG-CG 4.34Å; R200-L204 VanDerWaalsContact O-CB 3.31Å; R200-L204 WeakPolarHBondContact O-CB 3.31Å; R200-L204 VanDerWaalsContact O-CG 3.31Å; R200-L204 WeakPolarHBondContact O-CG 3.4Å; R200-L204 PolarHBondContact O-N 3.47Å
201	K	79.8	Confident	70.2	Confident	164 Å²	164	78.9 Å²	78.9	71%	0.713	39%	0.389	S	S	*	.	H	α-helix	trans	-57.6	-45.5	-179.4	179.4	178.6	-179.5	178.7	0	112	M197 E198 H205	M197-K201 WeakPolarHBondContact O-CB 3.28Å; M197-K201 PolarHBondContact O-N 3.13Å; E198-K201 PolarHBondContact O-N 3.03Å; K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.85Å; K201-H205 VanDerWaalsContact O-N 3.11Å
202	K	73.3	Confident	68.1	Low	84 Å²	84	80 Å²	80	37%	0.365	40%	0.4	S	S	.	.	H	α-helix	trans	-76.5	-38.7	-179.4	-72.8	-179.6	173.5	177.7	0	112.7	L34 E198 F199 R200 H205 L206	L34-K202 HydrophobicContact CD1-CB 3.5Å; L34-K202 HydrophobicContact CD1-CD 3.71Å; L34-K202 HydrophobicContact CD1-CG 4.25Å; L34-K202 HydrophobicContact CD2-CD 3.69Å; L34-K202 HydrophobicContact CG-CD 4.06Å; E198-K202 HydrophobicContact CG-CD 3.94Å; E198-K202 HydrophobicContact CG-CG 4.42Å; E198-K202 WeakPolarHBondContact O-CB 3.27Å; E198-K202 PolarHBondContact O-N 2.66Å; E198-K202 VanDerWaalsContact OE1-CE 3.27Å; E198-K202 WeakPolarHBondContact OE1-CE 3.11Å; E198-K202 IonicContact OE1-NZ 3.83Å; E198-K202 PolarHBondContact OE1-NZ 2.97Å; F199-K202 PolarHBondContact O-N 3.41Å; R200-K202 PolarHBondContact O-N 3.34Å; K202-H205 PolarHBondContact O-N 2.71Å; K202-L206 WeakPolarHBondContact O-CB 3.46Å; K202-L206 VanDerWaalsContact O-CG 3.29Å; K202-L206 WeakPolarHBondContact O-CG 3.27Å; K202-L206 PolarHBondContact O-N 3.12Å
203	T	76.1	Confident	65.6	Low	0 Å²	0	86.8 Å²	86.8	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-67.9	-41.3	178.2	-52.4	0	0	0	0	111.2	L89 F93 F199 R200 H205 L206 S207	L89-T203 HydrophobicContact CD1-CG2 3.7Å; L89-T203 HydrophobicContact CD2-CG2 4.07Å; F93-T203 HydrophobicContact CE1-CG2 3.74Å; F93-T203 HydrophobicContact CZ-CG2 3.61Å; F199-T203 HydrophobicContact CZ-CG2 4.5Å; F199-T203 WeakPolarHBondContact O-CB 3.35Å; F199-T203 PolarHBondContact O-N 3.45Å; F199-T203 PolarHBondContact O-OG1 2.98Å; R200-T203 PolarHBondContact O-N 3.43Å; T203-H205 VanDerWaalsContact C-N 3.35Å; T203-H205 PolarHBondContact O-N 3.08Å; T203-L206 CarbonylContact O-C 3.6Å; T203-L206 PolarHBondContact O-N 3.17Å; T203-L206 VanDerWaalsContact O-N 3.15Å; T203-S207 PolarHBondContact O-N 2.82Å
204	L	76.5	Confident	63.4	Low	47 Å²	47	92 Å²	92	25%	0.246	45%	0.452	C	S	.	.	H	α-helix	trans	-64.6	-36.5	171.3	-70.6	174.6	0	0	0	112.2	C95 R200 L206 S207 S208	C95-L204 HydrophobicContact CB-CD2 3.92Å; C95-L204 HydrophobicContact CB-CG 4.17Å; R200-L204 HydrophobicContact CG-CD1 3.74Å; R200-L204 HydrophobicContact CG-CG 4.34Å; R200-L204 VanDerWaalsContact O-CB 3.31Å; R200-L204 WeakPolarHBondContact O-CB 3.31Å; R200-L204 VanDerWaalsContact O-CG 3.31Å; R200-L204 WeakPolarHBondContact O-CG 3.4Å; R200-L204 PolarHBondContact O-N 3.47Å; L204-L206 PolarHBondContact O-N 3.11Å; L204-S207 PolarHBondContact O-N 3.15Å; L204-S207 PolarHBondContact O-OG 3.21Å; L204-S208 VanDerWaalsContact O-CB 3.26Å; L204-S208 WeakPolarHBondContact O-CB 3.19Å; L204-S208 PolarHBondContact O-N 2.85Å; L204-S208 PolarHBondContact O-OG 3.23Å
205	H	72.2	Confident	61	Low	152 Å²	152	90.1 Å²	90.1	70%	0.704	45%	0.449	S	S	*	.	H	α-helix	trans	-65.1	-28	173.6	-172.7	41.9	0	0	0	112.7	K201 K202 T203	K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.85Å; K201-H205 VanDerWaalsContact O-N 3.11Å; K202-H205 PolarHBondContact O-N 2.71Å; T203-H205 VanDerWaalsContact C-N 3.35Å; T203-H205 PolarHBondContact O-N 3.08Å
206	L	68.3	Low	58.6	Low	21 Å²	21	97.2 Å²	97.2	11%	0.11	48%	0.481	C	S	.	.	H	α-helix	trans	-87.5	-15.2	178.3	-72.4	171.2	0	0	0	114.5	V33 V53 Q55 S62 L89 K202 T203 L204	V33-L206 HydrophobicContact CB-CD1 4.16Å; V33-L206 HydrophobicContact CG1-CD1 4.15Å; V33-L206 HydrophobicContact CG2-CD1 4.07Å; V53-L206 HydrophobicContact CB-CD1 4.42Å; V53-L206 HydrophobicContact CG1-CD1 3.56Å; Q55-L206 HydrophobicContact CB-CD2 3.94Å; Q55-L206 HydrophobicContact CG-CD2 3.99Å; S62-L206 WeakPolarHBondContact CB-O 3.46Å; S62-L206 PolarHBondContact OG-O 3.43Å; L89-L206 HydrophobicContact CD1-CB 4.2Å; K202-L206 WeakPolarHBondContact O-CB 3.46Å; K202-L206 VanDerWaalsContact O-CG 3.29Å; K202-L206 WeakPolarHBondContact O-CG 3.27Å; K202-L206 PolarHBondContact O-N 3.12Å; T203-L206 CarbonylContact O-C 3.6Å; T203-L206 PolarHBondContact O-N 3.17Å; T203-L206 VanDerWaalsContact O-N 3.15Å; L204-L206 PolarHBondContact O-N 3.11Å
207	S	67.5	Low	56.2	Low	28 Å²	28	107 Å²	107	20%	0.196	52%	0.524	C	S	.	.	H	α-helix	trans	-94.9	-34.3	169	70.6	0	0	0	0	113.1	T203 L204 G209	T203-S207 PolarHBondContact O-N 2.82Å; L204-S207 PolarHBondContact O-N 3.15Å; L204-S207 PolarHBondContact O-OG 3.21Å; S207-G209 PolarHBondContact O-N 3.45Å
208	S	56.4	Low	53.4	Low	63 Å²	63	110.7 Å²	110.7	44%	0.441	55%	0.546	S	S	.	.			trans	-81.7	50.1	-173	59.4	0	0	0	0	114.8	L204 Y210	L204-S208 VanDerWaalsContact O-CB 3.26Å; L204-S208 WeakPolarHBondContact O-CB 3.19Å; L204-S208 PolarHBondContact O-N 2.85Å; L204-S208 PolarHBondContact O-OG 3.23Å; S208-Y210 VanDerWaalsContact C-N 3.3Å; S208-Y210 PolarHBondContact O-N 3.42Å
209	G	50.5	Low	50.9	Low	64 Å²	64	112.9 Å²	112.9	66%	0.66	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	91.5	157.4	0	0	0	0	0	110.1	S207	S207-G209 PolarHBondContact O-N 3.45Å
210	Y	37.1	Very low	48.1	Very low	177 Å²	177	117.3 Å²	117.3	69%	0.694	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.2	82.2	-177.8	-54.5	-90.4	0	0	0	117.3	S208 I716	S208-Y210 VanDerWaalsContact C-N 3.3Å; S208-Y210 PolarHBondContact O-N 3.42Å; Y210-I716 HydrophobicContact CE1-CD1 4.41Å
211	R	33.7	Very low	45.5	Very low	240 Å²	240	123.7 Å²	123.7	91%	0.906	64%	0.635	S	S	*	*				-168.3	153	122.4	-104.7	161.1	-165.6	-157.4	5.4	113.8
212	T	28.5	Very low	43	Very low	128 Å²	128	120.6 Å²	120.6	79%	0.785	63%	0.634	S	S	*	*			trans	-98.8	154.1	-175.2	52.1	0	0	0	0	113.2
213	K	27.1	Very low	40.7	Very low	200 Å²	200	121.9 Å²	121.9	87%	0.87	65%	0.654	S	S	*	*			trans	76.6	106	173.5	-57.6	-174.2	177.1	-174.5	0	116
214	L	30.5	Very low	38.4	Very low	169 Å²	169	130.9 Å²	130.9	89%	0.885	69%	0.693	S	S	*	*			trans	-116.2	115.2	138	-103.9	162.7	0	0	0	106.3
215	S	26.4	Very low	36	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	72%	0.716	S	S	*	*			trans	-87.2	154.9	177.2	43	0	0	0	0	110.8
216	E	25.2	Very low	33.7	Very low	178 Å²	178	139.1 Å²	139.1	83%	0.832	72%	0.721	S	S	*	*			trans	57.1	102.3	161.2	-67.7	166	-158.8	0	0	117
217	F	26.6	Very low	31.6	Very low	205 Å²	205	144.1 Å²	144.1	90%	0.899	75%	0.753	S	S	*	*				-149.2	111.2	128.7	-122.2	-76.3	0	0	0	110.6
218	N	23.1	Very low	29.4	Very low	165 Å²	165	148.9 Å²	148.9	88%	0.882	78%	0.78	S	S	*	*			trans	-88.9	123.1	168	-84.7	-33	0	0	0	108.7
219	C	26.5	Very low	27.8	Very low	129 Å²	129	156.1 Å²	156.1	87%	0.872	80%	0.8	S	S	*	*			trans	-146	103.7	155.8	-164.4	0	0	0	0	109
220	A	22.1	Very low	26.4	Very low	94 Å²	94	161.7 Å²	161.7	78%	0.777	81%	0.808	S	S	*	*			trans	-115	124.8	177.7	0	0	0	0	0	109.5
221	K	27.5	Very low	25.9	Very low	199 Å²	199	161.3 Å²	161.3	87%	0.865	82%	0.815	S	S	*	*			trans	-161.9	124.4	153.1	-116.3	165.2	-172.9	177.2	0	112.9
222	S	27.3	Very low	25.4	Very low	100 Å²	100	152.9 Å²	152.9	70%	0.699	80%	0.803	S	S	*	*			trans	38.8	95.6	151	56.3	0	0	0	0	118
223	S	25.8	Very low	25.1	Very low	111 Å²	111	154.7 Å²	154.7	78%	0.776	80%	0.8	S	S	*	*				80.1	115.9	66.8	73	0	0	0	0	115.7
224	K	28.7	Very low	25	Very low	188 Å²	188	154.2 Å²	154.2	82%	0.817	80%	0.8	S	S	*	*				-163.4	147.9	128.7	-110.4	170.8	-177.5	-177.3	0	111.1
225	E	25	Very low	24.7	Very low	157 Å²	157	150.9 Å²	150.9	73%	0.734	80%	0.797	S	S	*	*			trans	-10.6	139.8	163.8	-61.3	143.6	-142.4	0	0	116.4
226	R	23.4	Very low	24.6	Very low	216 Å²	216	154.6 Å²	154.6	82%	0.815	81%	0.809	S	S	*	*			cis	-172.5	164.6	49.8	-146.3	171.4	-169	157.5	2.9	113
227	T	23.7	Very low	24.6	Very low	126 Å²	126	149.8 Å²	149.8	77%	0.773	80%	0.8	S	S	*	*			trans	62.6	112.9	159.3	31.2	0	0	0	0	120
228	T	21.4	Very low	24.6	Very low	127 Å²	127	145.6 Å²	145.6	78%	0.779	79%	0.791	S	S	*	*			trans	-55.2	147.7	159	47.9	0	0	0	0	114.2
229	Y	23.3	Very low	24.8	Very low	216 Å²	216	143 Å²	143	85%	0.847	78%	0.777	S	S	*	*			trans	-143.8	119.6	137.6	-105.7	-77.7	0	0	0	110.6
230	E	22.4	Very low	24.9	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	77%	0.771	S	S	*	*			trans	-73.9	146.5	157.9	-62.6	-175.8	112.2	0	0	109.6
231	M	25.5	Very low	25	Very low	170 Å²	170	143.1 Å²	143.1	84%	0.837	76%	0.762	S	S	*	*			trans	-144.1	100.4	143.9	-85.6	-151.6	73.7	0	0	109.8
232	G	23.2	Very low	25	Very low	62 Å²	62	138.3 Å²	138.3	64%	0.639	75%	0.753	S	S	*	*			trans	-72.4	153.7	158	0	0	0	0	0	111.1
233	K	23.4	Very low	25.4	Very low	167 Å²	167	138.9 Å²	138.9	73%	0.726	76%	0.758	S	S	*	*	S	Bend	trans	26.5	95.6	156.6	-59.7	174.9	-178.7	169.7	0	117.6	E861	K233-E861 IonicContact NZ-OE1 3.7Å; K233-E861 PolarHBondContact NZ-OE1 2.91Å
234	E	24.2	Very low	25.7	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.883	75%	0.754	S	S	*	*				-175.7	103.9	127.1	-107.6	172.4	-161.5	0	0	112.4
235	A	24.7	Very low	25.9	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	-164.7	35.3	174.2	0	0	0	0	0	115.2
236	L	23.8	Very low	26.4	Very low	169 Å²	169	138.7 Å²	138.7	89%	0.885	75%	0.745	S	S	*	*	S	Bend	trans	-154.7	53.2	175.1	-149.8	81	0	0	0	116.1
237	A	25.4	Very low	26.9	Very low	77 Å²	77	130.6 Å²	130.6	64%	0.636	72%	0.722	S	S	*	*	S	Bend	trans	-133.2	-14.4	-178.2	0	0	0	0	0	118.4
238	V	26.2	Very low	27.5	Very low	117 Å²	117	131.6 Å²	131.6	71%	0.709	72%	0.715	S	S	*	*			trans	-145.2	98.9	170.3	-179.1	0	0	0	0	105.9
239	L	27.4	Very low	28.1	Very low	111 Å²	111	134.2 Å²	134.2	58%	0.581	71%	0.711	S	S	*	*			cis	56.3	111	43.3	-68	172.9	0	0	0	113.3
240	N	28.1	Very low	28.5	Very low	140 Å²	140	125.9 Å²	125.9	75%	0.749	68%	0.681	S	S	*	*			trans	74.2	41.6	177.6	-67.6	19.1	0	0	0	117.7	K469	N240-K469 PolarHBondContact ND2-NZ 3.07Å; N240-K469 PolarHBondContact OD1-NZ 2.78Å
241	S	25.4	Very low	29.2	Very low	85 Å²	85	123.2 Å²	123.2	59%	0.594	67%	0.669	S	S	*	*			trans	-147.3	97.8	162.7	54.6	0	0	0	0	115
242	S	27.8	Very low	29.8	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	65%	0.652	S	S	*	*			trans	4.6	113.4	153.7	54.7	0	0	0	0	120.4	F244	S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 2.99Å
243	S	34.1	Very low	30.3	Very low	113 Å²	113	122.7 Å²	122.7	79%	0.79	64%	0.642	S	S	*	*	S	Bend	trans	54	8.2	131.7	63.8	0	0	0	0	121.7
244	F	32.5	Very low	30.9	Very low	161 Å²	161	119.4 Å²	119.4	71%	0.706	63%	0.625	S	S	*	*			trans	-105	-31.5	-172.4	-156.6	-106	0	0	0	114.3	S242 S247 F248	S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 2.99Å; F244-S247 PolarHBondContact O-N 3.37Å; F244-S247 PolarHBondContact O-OG 2.94Å; F244-F248 PolarHBondContact O-N 2.68Å
245	E	34.2	Very low	31.5	Very low	156 Å²	156	117.9 Å²	117.9	73%	0.729	62%	0.616	S	S	*	*	H	α-helix	trans	-77.7	-32.7	-173.4	-62.9	-171.8	136.5	0	0	114	S247 F248 W249	E245-S247 PolarHBondContact O-N 3.01Å; E245-F248 WeakPolarHBondContact O-CB 3.41Å; E245-F248 PolarHBondContact O-N 2.97Å; E245-W249 PolarHBondContact O-N 3.38Å; E245-W249 VanDerWaalsContact O-N 3.14Å
246	Q	33.7	Very low	32.1	Very low	135 Å²	135	117.9 Å²	117.9	63%	0.631	60%	0.598	S	S	*	*	H	α-helix	trans	-59.7	-36.6	173.6	-74.7	-176.9	-19.5	0	0	111.6	F248 L250	Q246-F248 VanDerWaalsContact C-N 3.34Å; Q246-L250 WeakPolarHBondContact O-CB 3.48Å; Q246-L250 WeakPolarHBondContact O-CD1 3.48Å; Q246-L250 PolarHBondContact O-N 2.66Å
247	S	34.8	Very low	32.7	Very low	46 Å²	46	114.7 Å²	114.7	32%	0.322	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-31.4	171.3	21.4	0	0	0	0	113.3	F244 E245 Q251	F244-S247 PolarHBondContact O-N 3.37Å; F244-S247 PolarHBondContact O-OG 2.94Å; E245-S247 PolarHBondContact O-N 3.01Å; S247-Q251 VanDerWaalsContact O-CB 3.28Å; S247-Q251 WeakPolarHBondContact O-CB 3.27Å; S247-Q251 WeakPolarHBondContact O-CG 3.47Å; S247-Q251 PolarHBondContact O-N 3.5Å
248	F	35.3	Very low	33	Very low	146 Å²	146	117.8 Å²	117.8	64%	0.64	58%	0.579	S	S	*	*	H	α-helix	trans	-75.6	-44.3	-176	-162.6	-100.7	0	0	0	112.6	F244 E245 Q246 L250 Q251 K252	F244-F248 PolarHBondContact O-N 2.68Å; E245-F248 WeakPolarHBondContact O-CB 3.41Å; E245-F248 PolarHBondContact O-N 2.97Å; Q246-F248 VanDerWaalsContact C-N 3.34Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3.01Å; F248-Q251 PolarHBondContact O-N 3.36Å; F248-K252 PolarHBondContact O-N 2.93Å
249	W	34.5	Very low	33.4	Very low	182 Å²	182	119.9 Å²	119.9	69%	0.689	58%	0.581	S	S	*	*	H	α-helix	trans	-61.3	-43.6	176.1	-160.5	86.7	0	0	0	111.3	E245 K252 Y253	E245-W249 PolarHBondContact O-N 3.38Å; E245-W249 VanDerWaalsContact O-N 3.14Å; W249-K252 WeakPolarHBondContact O-CB 3.38Å; W249-K252 PolarHBondContact O-N 3.04Å; W249-Y253 PolarHBondContact O-N 3.5Å
250	L	32.9	Very low	33.6	Very low	42 Å²	42	119.9 Å²	119.9	22%	0.22	59%	0.586	C	S	.	*	H	α-helix	trans	-68.8	-31.2	175.8	-78.6	165.4	0	0	0	113.5	P4 I7 Q246 F248 W254	P4-L250 HydrophobicContact CB-CB 4.09Å; P4-L250 HydrophobicContact CB-CD1 3.86Å; P4-L250 HydrophobicContact CB-CG 4.43Å; P4-L250 HydrophobicContact CG-CB 3.79Å; P4-L250 HydrophobicContact CG-CD1 4.24Å; P4-L250 HydrophobicContact CG-CD2 4.24Å; P4-L250 HydrophobicContact CG-CG 4.31Å; I7-L250 HydrophobicContact CD1-CD1 4.47Å; I7-L250 HydrophobicContact CD1-CD2 4.08Å; Q246-L250 WeakPolarHBondContact O-CB 3.48Å; Q246-L250 WeakPolarHBondContact O-CD1 3.48Å; Q246-L250 PolarHBondContact O-N 2.66Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3.01Å; L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.92Å
251	Q	36.1	Very low	33.5	Very low	124 Å²	124	118.3 Å²	118.3	58%	0.579	58%	0.582	S	S	*	*	H	α-helix	trans	-71.7	-30.1	171.8	-81.9	176.7	7.5	0	0	113.2	S247 F248 K255	S247-Q251 VanDerWaalsContact O-CB 3.28Å; S247-Q251 WeakPolarHBondContact O-CB 3.27Å; S247-Q251 WeakPolarHBondContact O-CG 3.47Å; S247-Q251 PolarHBondContact O-N 3.5Å; F248-Q251 PolarHBondContact O-N 3.36Å; Q251-K255 PolarHBondContact O-N 3.42Å; Q251-K255 VanDerWaalsContact O-N 3.12Å
252	K	37.5	Very low	33.5	Very low	113 Å²	113	119.8 Å²	119.8	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-53.8	173.5	-170.5	-173.8	175.6	-168.6	0	110.6	F248 W249 W254 K255 E256	F248-K252 PolarHBondContact O-N 2.93Å; W249-K252 WeakPolarHBondContact O-CB 3.38Å; W249-K252 PolarHBondContact O-N 3.04Å; K252-W254 PolarHBondContact O-N 3.3Å; K252-K255 WeakPolarHBondContact O-CB 3.16Å; K252-K255 PolarHBondContact O-N 2.85Å; K252-E256 VanDerWaalsContact CE-OE1 3.28Å; K252-E256 WeakPolarHBondContact CE-OE1 3.38Å; K252-E256 PolarHBondContact O-N 3.5Å
253	Y	33.8	Very low	33.5	Very low	107 Å²	107	120.7 Å²	120.7	42%	0.42	59%	0.594	S	S	.	*	H	α-helix	trans	-55.4	-38.1	177.3	-140.8	-111.4	0	0	0	112.3	W249 E256 M257	W249-Y253 PolarHBondContact O-N 3.5Å; Y253-E256 PolarHBondContact O-N 3.44Å; Y253-M257 HydrophobicContact CD1-CE 4.11Å; Y253-M257 HydrophobicContact CE1-CE 3.87Å; Y253-M257 PolarHBondContact O-N 3.26Å; Y253-M257 VanDerWaalsContact O-N 3.13Å
254	W	36	Very low	33.1	Very low	99 Å²	99	120.5 Å²	120.5	38%	0.375	59%	0.593	S	S	.	*	H	α-helix	trans	-73.6	-25.8	178.9	-163.6	-106.7	0	0	0	114.3	L250 K252 K258	L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.92Å; K252-W254 PolarHBondContact O-N 3.3Å; W254-K258 PolarHBondContact O-N 2.91Å
255	K	36.7	Very low	33	Very low	157 Å²	157	118.1 Å²	118.1	68%	0.683	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-40.2	171.1	-89.9	-175.1	172.9	-179.2	0	111.4	Q251 K252 K258	Q251-K255 PolarHBondContact O-N 3.42Å; Q251-K255 VanDerWaalsContact O-N 3.12Å; K252-K255 WeakPolarHBondContact O-CB 3.16Å; K252-K255 PolarHBondContact O-N 2.85Å; K255-K258 PolarHBondContact O-N 3.29Å
256	E	39.1	Very low	32.7	Very low	98 Å²	98	116.8 Å²	116.8	46%	0.458	60%	0.598	S	S	.	*	H	α-helix	trans	-70.3	-44.8	-178.2	-71.1	156.2	-167.3	0	0	110.6	K252 Y253 K258 Q259	K252-E256 VanDerWaalsContact CE-OE1 3.28Å; K252-E256 WeakPolarHBondContact CE-OE1 3.38Å; K252-E256 PolarHBondContact O-N 3.5Å; Y253-E256 PolarHBondContact O-N 3.44Å; E256-K258 PolarHBondContact O-N 3.1Å; E256-Q259 PolarHBondContact O-N 3.26Å
257	M	34.5	Very low	32.5	Very low	102 Å²	102	117.3 Å²	117.3	50%	0.502	60%	0.604	S	S	.	*	H	α-helix	trans	-60.8	-25.6	172.7	-75.6	-170.8	171.8	0	0	114.9	Y253 Q259 T260 T261	Y253-M257 HydrophobicContact CD1-CE 4.11Å; Y253-M257 HydrophobicContact CE1-CE 3.87Å; Y253-M257 PolarHBondContact O-N 3.26Å; Y253-M257 VanDerWaalsContact O-N 3.13Å; M257-Q259 VanDerWaalsContact C-N 3.32Å; M257-T260 PolarHBondContact O-OG1 2.93Å; M257-T261 PolarHBondContact O-OG1 2.83Å
258	K	33.4	Very low	32.4	Very low	143 Å²	143	121.8 Å²	121.8	62%	0.622	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-7.1	175.6	-81.8	-167.9	173.1	-170.1	0	114.2	W254 K255 E256	W254-K258 PolarHBondContact O-N 2.91Å; K255-K258 PolarHBondContact O-N 3.29Å; E256-K258 PolarHBondContact O-N 3.1Å
259	Q	33.4	Very low	31.9	Very low	160 Å²	160	120.3 Å²	120.3	75%	0.748	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-17.7	173	-68.9	-177.1	-19.6	0	0	112.5	E256 M257	E256-Q259 PolarHBondContact O-N 3.26Å; M257-Q259 VanDerWaalsContact C-N 3.32Å
260	T	31.7	Very low	31.8	Very low	112 Å²	112	117.6 Å²	117.6	69%	0.687	63%	0.633	S	S	*	*	S	Bend	trans	-94.1	16.6	176.5	56	0	0	0	0	114.1	M257	M257-T260 PolarHBondContact O-OG1 2.93Å
261	T	26.5	Very low	31.6	Very low	107 Å²	107	126.9 Å²	126.9	66%	0.656	67%	0.665	S	S	*	*			trans	-118.9	40.2	-178.9	32.4	0	0	0	0	113.3	M257	M257-T261 PolarHBondContact O-OG1 2.83Å
262	T	25.3	Very low	31.5	Very low	115 Å²	115	127.3 Å²	127.3	71%	0.706	68%	0.678	S	S	*	*			trans	-134.3	134.8	162.6	51.7	0	0	0	0	110.4
263	S	28.1	Very low	31.2	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	69%	0.691	S	S	*	*			trans	64.7	146.4	-171.3	76.3	0	0	0	0	116.3
264	S	25.7	Very low	31	Very low	110 Å²	110	127 Å²	127	77%	0.769	71%	0.712	S	S	*	*			cis	-171.6	135.8	-24.5	49	0	0	0	0	112
265	S	30.7	Very low	30.6	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	73%	0.728	S	S	*	*			trans	-158.6	126.9	160.6	54.3	0	0	0	0	110
266	V	27	Very low	30.2	Very low	128 Å²	128	127.9 Å²	127.9	78%	0.776	73%	0.73	S	S	*	*				68.3	119.3	58.6	176	0	0	0	0	109.3
267	I	29.3	Very low	29.8	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	74%	0.743	S	S	*	*			cis	-152.7	157.6	12	-120.6	164.5	0	0	0	106.7
268	N	31.7	Very low	29.6	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	75%	0.75	S	S	*	*				-168.3	176.8	56.4	-149.6	-19.9	0	0	0	112
269	T	26.2	Very low	29.4	Very low	116 Å²	116	131.3 Å²	131.3	71%	0.712	76%	0.763	S	S	*	*			trans	-94.1	164.9	-176.1	68.4	0	0	0	0	115.1
270	P	32.8	Very low	29.3	Very low	125 Å²	125	128.4 Å²	128.4	81%	0.812	77%	0.766	S	S	*	*				-138.3	163.4	91.5	36.1	-21.6	0	0	0	116.5
271	R	27.5	Very low	29.1	Very low	237 Å²	237	127 Å²	127	89%	0.894	77%	0.774	S	S	*	*			trans	-87.3	173.5	172.4	-79	-178.9	174.8	-178	-0.8	111
272	P	34.9	Very low	29.3	Very low	132 Å²	132	129.3 Å²	129.3	86%	0.857	78%	0.782	S	S	*	*			cis	-137.2	-176.6	14.7	43.1	-25.4	0	0	0	116.5
273	G	29.9	Very low	29.5	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	79%	0.788	S	S	*	*			trans	140	90.2	155.4	0	0	0	0	0	119.1
274	V	30.2	Very low	29.5	Very low	140 Å²	140	129 Å²	129	85%	0.848	78%	0.782	S	S	*	*			trans	6.5	107	152.9	-171.2	0	0	0	0	120.3
275	N	28.7	Very low	29.7	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	78%	0.784	S	S	*	*				43	128.9	126.6	-90.3	3.5	0	0	0	125
276	I	28.2	Very low	29.7	Very low	139 Å²	139	130.8 Å²	130.8	71%	0.713	77%	0.774	S	S	*	*			trans	97	138.4	132.3	-67	165.6	0	0	0	120.8
277	T	30.5	Very low	29.8	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.724	77%	0.772	S	S	*	*			trans	68.8	92.1	166.4	39.4	0	0	0	0	123
278	S	28.7	Very low	29.9	Very low	95 Å²	95	132.7 Å²	132.7	66%	0.664	77%	0.773	S	S	*	*				66.1	144.4	110.1	72	0	0	0	0	124.9
279	F	30.8	Very low	29.7	Very low	201 Å²	201	133.1 Å²	133.1	88%	0.882	77%	0.77	S	S	*	*			trans	77.7	102	157.7	-81.8	-74.4	0	0	0	121.6
280	A	29.9	Very low	29.7	Very low	100 Å²	100	133.7 Å²	133.7	83%	0.826	76%	0.764	S	S	*	*			trans	34.2	130.5	131.5	0	0	0	0	0	122.3
281	G	28.5	Very low	29.4	Very low	82 Å²	82	136.6 Å²	136.6	85%	0.845	76%	0.759	S	S	*	*			trans	-178.7	109.2	164.4	0	0	0	0	0	115.2
282	L	29.8	Very low	29.6	Very low	156 Å²	156	132.8 Å²	132.8	82%	0.817	75%	0.751	S	S	*	*			trans	-56.3	152	-179.4	-69.6	152.5	0	0	0	117.1
283	N	29.8	Very low	29.2	Very low	159 Å²	159	132.9 Å²	132.9	85%	0.85	74%	0.744	S	S	*	*			trans	63.8	151	152.8	-54.2	-16.9	0	0	0	118.2
284	G	28.5	Very low	29.1	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	75%	0.748	S	S	*	*			cis	173.5	177.8	-5.9	0	0	0	0	0	112.3
285	D	30.7	Very low	29.1	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	74%	0.742	S	S	*	*			trans	65.4	119.1	155.8	-87.8	24.3	0	0	0	123.9
286	N	30.5	Very low	29.3	Very low	108 Å²	108	131.4 Å²	131.4	58%	0.578	75%	0.75	S	S	*	*				81.3	114.6	126.3	-81.1	-53	0	0	0	123.6
287	K	29.8	Very low	29.2	Very low	168 Å²	168	132.1 Å²	132.1	73%	0.73	75%	0.754	S	S	*	*				95.7	138.5	118.8	-83	168.9	-173.7	164	0	123
288	L	29.9	Very low	29.6	Very low	147 Å²	147	131.7 Å²	131.7	77%	0.77	75%	0.753	S	S	*	*			trans	64.8	118	152.3	-61.4	161.6	0	0	0	117
289	H	27.8	Very low	29.7	Very low	147 Å²	147	135.5 Å²	135.5	68%	0.681	76%	0.761	S	S	*	*				84.2	107.6	60.3	-94.7	-63.1	0	0	0	116.6
290	H	27.5	Very low	29.8	Very low	128 Å²	128	130.4 Å²	130.4	59%	0.593	75%	0.75	S	S	*	*			trans	77	124.3	132.9	-80.4	-18.1	0	0	0	123.8
291	R	25.9	Very low	29.9	Very low	187 Å²	187	132.9 Å²	132.9	71%	0.706	75%	0.749	S	S	*	*			trans	72.3	159.5	140.7	-61.9	171.5	-179.7	176.9	-0.7	114.5
292	H	31.3	Very low	30	Very low	156 Å²	156	133 Å²	133	72%	0.722	74%	0.737	S	S	*	*			cis	-121.7	155.4	21.6	-86.7	-110.5	0	0	0	111.6
293	L	26.4	Very low	30.2	Very low	135 Å²	135	133.4 Å²	133.4	71%	0.707	74%	0.74	S	S	*	*				60.8	141.3	62.9	-63.7	159.4	0	0	0	111.8
294	S	28.9	Very low	30.1	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	73%	0.73	S	S	*	*			cis	-161.5	171.5	27.8	51.9	0	0	0	0	114.5
295	G	28.5	Very low	30.2	Very low	71 Å²	71	132 Å²	132	73%	0.732	74%	0.737	S	S	*	*			trans	109.1	141.3	162.1	0	0	0	0	0	115.6
296	S	33.1	Very low	30.2	Very low	127 Å²	127	129.9 Å²	129.9	89%	0.888	73%	0.733	S	S	*	*			cis	-155.3	160.4	-3	-70.4	0	0	0	0	111.6
297	L	26.5	Very low	30	Very low	154 Å²	154	129.5 Å²	129.5	81%	0.806	74%	0.739	S	S	*	*			trans	-108.3	148.2	173.1	-102.8	158.7	0	0	0	110.9
298	P	39.6	Very low	30.1	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	75%	0.745	S	S	*	*				-126.4	153.5	115.6	4	18.4	0	0	0	111
299	H	31.1	Very low	30	Very low	176 Å²	176	126.2 Å²	126.2	82%	0.815	74%	0.735	S	S	*	*				63.8	134.2	61.2	-69.2	0.1	0	0	0	113.3
300	S	32.2	Very low	30.1	Very low	94 Å²	94	127.8 Å²	127.8	66%	0.657	74%	0.743	S	S	*	*			cis	-159.2	170.6	9.1	52.2	0	0	0	0	113.9
301	N	31.5	Very low	30.2	Very low	151 Å²	151	127.8 Å²	127.8	81%	0.807	75%	0.752	S	S	*	*			trans	69.2	150.4	155.7	-64.1	-5.3	0	0	0	119.6
302	S	31.7	Very low	30.5	Very low	85 Å²	85	125.9 Å²	125.9	59%	0.594	75%	0.754	S	S	*	*			cis	-171.7	146.2	-18.2	50.4	0	0	0	0	112.2
303	N	32.2	Very low	30.4	Very low	165 Å²	165	125 Å²	125	88%	0.882	76%	0.755	S	S	*	*			trans	67.4	147.2	162	-50.8	-18	0	0	0	118.1
304	G	29.3	Very low	30.6	Very low	62 Å²	62	126.6 Å²	126.6	64%	0.639	76%	0.761	S	S	*	*			cis	170.7	158.6	-10.4	0	0	0	0	0	113.8
305	T	30.4	Very low	30.7	Very low	133 Å²	133	127 Å²	127	82%	0.816	75%	0.753	S	S	*	*			trans	51.4	111.5	152.3	49.3	0	0	0	0	119.9
306	S	29.3	Very low	31	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	75%	0.751	S	S	*	*				61.9	139.6	85.2	72.5	0	0	0	0	115.1
307	S	27.5	Very low	30.9	Very low	101 Å²	101	127 Å²	127	71%	0.706	74%	0.742	S	S	*	*			cis	-178.1	-165.1	3.7	40	0	0	0	0	109.3
308	I	32.2	Very low	31	Very low	164 Å²	164	124.7 Å²	124.7	84%	0.841	74%	0.739	S	S	*	*			trans	92.4	164.8	164.2	-59.3	162.8	0	0	0	115.4
309	S	27.4	Very low	30.5	Very low	82 Å²	82	125.4 Å²	125.4	57%	0.573	75%	0.745	S	S	*	*			trans	-116.2	176.1	-149.3	51.2	0	0	0	0	115.6
310	E	30	Very low	30.4	Very low	179 Å²	179	121.6 Å²	121.6	84%	0.836	74%	0.738	S	S	*	*			trans	76.3	169	151.3	-77.3	145.1	177.9	0	0	120.5
311	T	29	Very low	30.1	Very low	128 Å²	128	121.5 Å²	121.5	79%	0.785	74%	0.738	S	S	*	*			trans	-144.4	156.2	-152.7	-37.1	0	0	0	0	109.1
312	I	31.9	Very low	30	Very low	147 Å²	147	122.7 Å²	122.7	75%	0.754	74%	0.742	S	S	*	*			trans	176.1	137.3	135.8	-98.6	159.9	0	0	0	113.6
313	N	30.1	Very low	29.9	Very low	137 Å²	137	122 Å²	122	73%	0.733	75%	0.749	S	S	*	*			trans	48.5	147.3	155.8	-63.8	-13.9	0	0	0	120.8
314	M	30.5	Very low	29.6	Very low	169 Å²	169	119.5 Å²	119.5	83%	0.833	74%	0.744	S	S	*	*			cis	-139.3	159.9	40.4	-76.4	-171.8	-176.1	0	0	111.7
315	N	31.5	Very low	29.6	Very low	128 Å²	128	126 Å²	126	68%	0.684	76%	0.755	S	S	*	*			cis	-157.1	162.1	-1.2	-98.5	-16.8	0	0	0	106.3
316	S	33.1	Very low	29.5	Very low	98 Å²	98	126 Å²	126	69%	0.685	75%	0.751	S	S	*	*			cis	-166.8	148.1	-0	43.8	0	0	0	0	109.8
317	S	31.6	Very low	29.6	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	75%	0.75	S	S	*	*			trans	26.4	123.3	157.1	57.9	0	0	0	0	121.1
318	S	29.5	Very low	29.7	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	75%	0.749	S	S	*	*			cis	90.6	129.8	30.2	84.6	0	0	0	0	117.5
319	C	27.7	Very low	29.6	Very low	123 Å²	123	126.6 Å²	126.6	83%	0.831	74%	0.739	S	S	*	*			trans	58.5	153.6	148.5	-64.1	0	0	0	0	122.2
320	S	29.2	Very low	29.8	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	75%	0.748	S	S	*	*			cis	-170.3	159.8	-22.2	54.5	0	0	0	0	113
321	S	27	Very low	29.8	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	74%	0.741	S	S	*	*			trans	66.1	134.9	138	62.1	0	0	0	0	124.1
322	I	29.7	Very low	29.9	Very low	175 Å²	175	128.8 Å²	128.8	90%	0.897	74%	0.737	S	S	*	*			trans	80.5	130.3	149.9	-64.1	155.5	0	0	0	119.1
323	G	28.3	Very low	30	Very low	71 Å²	71	127.2 Å²	127.2	73%	0.732	74%	0.735	S	S	*	*			trans	147.9	121.6	166.8	0	0	0	0	0	112.9
324	S	26.4	Very low	30.1	Very low	113 Å²	113	126 Å²	126	79%	0.79	73%	0.732	S	S	*	*			trans	-116.9	166.7	-179.5	-68.5	0	0	0	0	112.8
325	F	29.3	Very low	30.1	Very low	198 Å²	198	124.2 Å²	124.2	87%	0.868	73%	0.726	S	S	*	*			trans	107	159.6	163.2	-79.2	-83.3	0	0	0	120.6
326	N	29.1	Very low	30.2	Very low	134 Å²	134	123.6 Å²	123.6	72%	0.717	72%	0.723	S	S	*	*			trans	-84.6	157.7	-156.5	-72.5	-37.6	0	0	0	115.9
327	N	30.1	Very low	30.3	Very low	135 Å²	135	124 Å²	124	72%	0.722	73%	0.726	S	S	*	*			trans	72.2	123.9	140	-79.7	-14.1	0	0	0	122.3
328	N	30.4	Very low	30.2	Very low	127 Å²	127	125.5 Å²	125.5	68%	0.679	73%	0.726	S	S	*	*			trans	81.5	97.4	131.4	-70.2	-29.7	0	0	0	122
329	N	30.7	Very low	30.3	Very low	118 Å²	118	126.6 Å²	126.6	63%	0.631	72%	0.723	S	S	*	*				83.8	122.6	115.7	-83.3	-51	0	0	0	122.3
330	K	31	Very low	30.4	Very low	173 Å²	173	124.5 Å²	124.5	75%	0.752	71%	0.71	S	S	*	*			trans	76.8	144.7	132.1	-69.4	-176.9	-178.9	-175.7	0	118.9
331	N	30.7	Very low	30.5	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	71%	0.712	S	S	*	*			cis	-135.3	179.5	-9.6	-72.7	-46.1	0	0	0	107.8
332	N	31.2	Very low	30.6	Very low	130 Å²	130	128.4 Å²	128.4	70%	0.695	72%	0.716	S	S	*	*				-170.4	134.9	51.5	-110.5	-4.4	0	0	0	108
333	T	32.2	Very low	30.5	Very low	115 Å²	115	125.6 Å²	125.6	71%	0.706	71%	0.712	S	S	*	*				55.7	141	93.2	70.6	0	0	0	0	115.6
334	T	32.6	Very low	30.4	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	72%	0.72	S	S	*	*			cis	-125.9	160.3	17.2	47	0	0	0	0	111.7
335	N	31.2	Very low	30.4	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	72%	0.721	S	S	*	*				179.9	162.4	73	-85.2	95.6	0	0	0	107.4
336	D	32.4	Very low	30.3	Very low	116 Å²	116	128.3 Å²	128.3	62%	0.62	72%	0.716	S	S	*	*			cis	-160.2	-164.1	-12.9	-141.7	-69.3	0	0	0	110.4
337	S	35.4	Very low	30.3	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	72%	0.718	S	S	*	*			trans	64.2	49.8	163.4	55.5	0	0	0	0	117.4
338	N	31	Very low	30.2	Very low	130 Å²	130	127.1 Å²	127.1	70%	0.695	71%	0.712	S	S	*	*				11.9	143.6	121.4	-60.9	-32.9	0	0	0	118
339	N	30.3	Very low	30.1	Very low	130 Å²	130	132.9 Å²	132.9	70%	0.695	72%	0.724	S	S	*	*			cis	-160.4	132.4	4.8	-112.4	-31.5	0	0	0	107.8
340	S	30.7	Very low	30	Very low	80 Å²	80	134.2 Å²	134.2	56%	0.559	73%	0.727	S	S	*	*				61.1	136.8	87.1	86.4	0	0	0	0	114.8
341	N	31.3	Very low	30	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	73%	0.725	S	S	*	*			cis	-156.2	143.3	35.6	-96.5	-60.4	0	0	0	115.9
342	N	27.7	Very low	30	Very low	137 Å²	137	135 Å²	135	73%	0.733	73%	0.733	S	S	*	*			trans	38.6	143.7	134.5	-73.8	-28.6	0	0	0	126.1
343	S	27.7	Very low	30	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	74%	0.739	S	S	*	*			trans	64.7	94	145	57.4	0	0	0	0	119.5
344	S	26.4	Very low	30.1	Very low	128 Å²	128	137.9 Å²	137.9	90%	0.895	74%	0.743	S	S	*	*			trans	-102.7	100.8	173.7	-50.3	0	0	0	0	112.6
345	V	27.3	Very low	30	Very low	134 Å²	134	141.1 Å²	141.1	81%	0.812	75%	0.747	S	S	*	*			trans	-135.7	124.3	161.9	173.5	0	0	0	0	109
346	K	27	Very low	29.9	Very low	177 Å²	177	141.9 Å²	141.9	77%	0.77	75%	0.751	S	S	*	*	S	Bend	trans	69.1	119.8	173.3	-76.5	-178.2	175.3	-176.8	0	119.2
347	I	29.4	Very low	29.9	Very low	144 Å²	144	143.6 Å²	143.6	74%	0.738	75%	0.754	S	S	*	*			trans	75.8	138.7	132.8	-61.8	167.7	0	0	0	118.2
348	T	27	Very low	29.7	Very low	99 Å²	99	143.8 Å²	143.8	61%	0.607	75%	0.752	S	S	*	*			cis	-167.6	124.6	-31	-78.2	0	0	0	0	106.8	Q350	T348-Q350 HydrophobicContact CG2-CB 4.45Å
349	R	29.5	Very low	29.5	Very low	248 Å²	248	141.9 Å²	141.9	94%	0.936	75%	0.748	S	S	*	*			trans	-147.8	120.6	149.1	-74.5	-167.7	174.3	163.8	-2.1	107.2
350	Q	28.9	Very low	29.3	Very low	146 Å²	146	142.8 Å²	142.8	68%	0.682	75%	0.753	S	S	*	*			cis	94.8	69.1	31.4	-166.2	68.8	62.1	0	0	113.6	T348	T348-Q350 HydrophobicContact CG2-CB 4.45Å
351	N	29.6	Very low	29.3	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	77%	0.766	S	S	*	*				177.2	165.5	117.1	-87.3	-15.1	0	0	0	111.4
352	E	31.6	Very low	29.2	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	77%	0.765	S	S	*	*			trans	63	102.1	-175.6	-56.2	-179.5	174.2	0	0	111.7
353	I	31.4	Very low	29.3	Very low	159 Å²	159	145.7 Å²	145.7	82%	0.815	76%	0.761	S	S	*	*	S	Bend		-133.8	144.4	65.8	-80.9	165.6	0	0	0	113.9
354	D	33.1	Very low	29.4	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	76%	0.755	S	S	*	*			trans	25.6	130.3	158.7	-59.6	-46.8	0	0	0	125.8
355	K	31.9	Very low	29.5	Very low	180 Å²	180	147 Å²	147	78%	0.783	75%	0.748	S	S	*	*			trans	-52.6	152.4	168	-63.6	158.9	-178.8	167.5	0	115.4
356	L	28.6	Very low	29.8	Very low	147 Å²	147	146.4 Å²	146.4	77%	0.77	74%	0.741	S	S	*	*			trans	47.2	129.5	131.8	-56.1	167.3	0	0	0	118.3
357	H	31.7	Very low	29.8	Very low	151 Å²	151	146.3 Å²	146.3	70%	0.699	75%	0.749	S	S	*	*			cis	-158.8	153.2	43.1	-130.5	-82.5	0	0	0	112.4
358	T	31.3	Very low	30	Very low	112 Å²	112	143.7 Å²	143.7	69%	0.687	74%	0.74	S	S	*	*			trans	8.2	145.9	152	51.8	0	0	0	0	121.8
359	S	27.5	Very low	30.2	Very low	90 Å²	90	145.8 Å²	145.8	63%	0.629	75%	0.747	S	S	*	*			cis	177.8	162.4	-6.2	49.7	0	0	0	0	112
360	N	25.6	Very low	30.4	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	74%	0.74	S	S	*	*			trans	79.9	168.2	163.1	-55.1	-22.2	0	0	0	117.5
361	I	31.1	Very low	30.5	Very low	160 Å²	160	139 Å²	139	82%	0.821	74%	0.742	S	S	*	*			trans	73.9	116.2	-155	-56.5	175.7	0	0	0	110.4
362	N	29.5	Very low	30.5	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	75%	0.745	S	S	*	*			cis	-152.2	-180	-0.2	-135.4	42.5	0	0	0	112.7
363	D	30.1	Very low	30.4	Very low	122 Å²	122	138.8 Å²	138.8	65%	0.652	74%	0.741	S	S	*	*			trans	72.8	134	158.9	-75.7	31.2	0	0	0	118.2
364	N	28.2	Very low	30.3	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	73%	0.734	S	S	*	*			cis	-161.5	141	-8.4	-137.3	-45.4	0	0	0	110.6
365	N	30.2	Very low	30	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	74%	0.74	S	S	*	*			trans	-162.6	95.1	158.9	-126.3	-20.3	0	0	0	114.5
366	N	32	Very low	29.9	Very low	121 Å²	121	139.8 Å²	139.8	65%	0.647	74%	0.743	S	S	*	*			trans	45.1	106.9	134.4	-66.7	-50.5	0	0	0	120	T368	N366-T368 HydrophobicContact CB-CG2 4.02Å
367	N	28.8	Very low	29.9	Very low	175 Å²	175	142.1 Å²	142.1	94%	0.936	75%	0.747	S	S	*	*			trans	-105.2	144.1	133.1	-135.7	-9.8	0	0	0	107.3
368	T	32.8	Very low	29.6	Very low	90 Å²	90	141.7 Å²	141.7	55%	0.552	75%	0.75	S	S	*	*			trans	-131.7	171.1	-160.3	47.1	0	0	0	0	115.3	N366	N366-T368 HydrophobicContact CB-CG2 4.02Å
369	N	31.7	Very low	29.5	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	75%	0.753	S	S	*	*			trans	90.5	134.5	172.7	-50.3	-37.7	0	0	0	114.5
370	N	32.1	Very low	29.5	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	77%	0.765	S	S	*	*			cis	-131.1	140.3	16.7	-92.2	-46.8	0	0	0	115.1
371	S	32.2	Very low	29.6	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	76%	0.76	S	S	*	*			trans	52.6	140	145.8	71.6	0	0	0	0	121.3
372	C	30.2	Very low	29.6	Very low	114 Å²	114	146.9 Å²	146.9	77%	0.77	75%	0.754	S	S	*	*			cis	-159.1	159.7	-5.4	-125.3	0	0	0	0	113.5
373	Y	28.3	Very low	29.5	Very low	202 Å²	202	149.3 Å²	149.3	79%	0.792	76%	0.758	S	S	*	*			trans	-31.3	160.3	163.8	-70.8	-94.4	0	0	0	117.1
374	N	30.3	Very low	29.6	Very low	126 Å²	126	150.9 Å²	150.9	67%	0.674	76%	0.761	S	S	*	*			cis	-161.8	146.7	26.2	-145.2	-27	0	0	0	114.4
375	K	25.1	Very low	29.7	Very low	208 Å²	208	148.9 Å²	148.9	90%	0.904	76%	0.757	S	S	*	*			trans	-163.5	125.1	152.5	-128	170.4	-174	171.7	0	111.7
376	M	30	Very low	29.7	Very low	174 Å²	174	148.6 Å²	148.6	86%	0.857	76%	0.761	S	S	*	*			trans	-106.8	151.7	-178	-92.1	-157.3	178	0	0	115.3
377	K	28.5	Very low	29.5	Very low	196 Å²	196	146.4 Å²	146.4	85%	0.852	77%	0.767	S	S	*	*			trans	-40.5	169.8	159.5	-70.5	166.7	-179	171.6	0	115.3
378	L	26.1	Very low	29.5	Very low	142 Å²	142	145.4 Å²	145.4	74%	0.743	76%	0.761	S	S	*	*			cis	175.4	166.8	-24.3	-158.4	141.4	0	0	0	106.9
379	K	28.5	Very low	29.2	Very low	173 Å²	173	151 Å²	151	75%	0.752	77%	0.772	S	S	*	*			trans	88.1	117.4	171.3	-57.6	-179	-179.2	176.5	0	114.2
380	R	28.3	Very low	29.1	Very low	234 Å²	234	153 Å²	153	88%	0.883	78%	0.776	S	S	*	*				78.1	138.5	76.7	-77	-179.1	-179.8	-177.2	0.2	112.6
381	S	27.9	Very low	29	Very low	99 Å²	99	151 Å²	151	69%	0.692	77%	0.773	S	S	*	*			cis	-171.3	129.2	-1.6	171.5	0	0	0	0	114.4
382	V	29.9	Very low	28.6	Very low	114 Å²	114	155 Å²	155	69%	0.691	78%	0.78	S	S	*	*			trans	68.7	109	141.2	175.3	0	0	0	0	122
383	K	29.4	Very low	28.5	Very low	180 Å²	180	155.3 Å²	155.3	78%	0.783	78%	0.784	S	S	*	*			trans	64.5	157.4	140.6	-63.3	179	-174	-173.1	0	119.7
384	H	31.2	Very low	28.4	Very low	154 Å²	154	151 Å²	151	71%	0.713	78%	0.783	S	S	*	*			cis	-144.4	149.1	15.4	-131.8	-74	0	0	0	113.4
385	S	29.3	Very low	28.2	Very low	89 Å²	89	149.7 Å²	149.7	62%	0.622	78%	0.784	S	S	*	*			trans	5	144.4	157.2	56.1	0	0	0	0	121.7
386	T	31.9	Very low	28.2	Very low	135 Å²	135	146.9 Å²	146.9	83%	0.828	78%	0.777	S	S	*	*				-159.7	151.1	55.3	41.6	0	0	0	0	116
387	G	26.8	Very low	28	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	78%	0.776	S	S	*	*			trans	71.9	148.8	157.5	0	0	0	0	0	118.6
388	L	29.1	Very low	27.7	Very low	154 Å²	154	146 Å²	146	81%	0.806	77%	0.771	S	S	*	*			cis	-153.8	141	-7	-111.5	151.9	0	0	0	110
389	R	26.9	Very low	27.8	Very low	208 Å²	208	144.5 Å²	144.5	79%	0.785	77%	0.77	S	S	*	*			trans	13.9	129.7	159.4	-64.8	171.3	-175.2	-174.8	0.8	120
390	H	30.1	Very low	27.7	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.856	77%	0.774	S	S	*	*				-154.3	160.2	87.4	-113.8	-85.3	0	0	0	112.6
391	S	29.6	Very low	27.7	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	77%	0.769	S	S	*	*			trans	-109.6	153.1	-163.6	52.9	0	0	0	0	115
392	Q	24.1	Very low	27.8	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	77%	0.771	S	S	*	*			trans	-41.5	143.6	165.5	-60	164.4	-39.2	0	0	115
393	S	26.3	Very low	27.7	Very low	120 Å²	120	144 Å²	144	84%	0.839	77%	0.771	S	S	*	*			trans	-161.2	91.7	139	61.2	0	0	0	0	112.3
394	S	26.9	Very low	27.7	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	77%	0.771	S	S	*	*			trans	-75.9	164.5	147.6	57.2	0	0	0	0	107.9
395	S	25.8	Very low	27.5	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	76%	0.764	S	S	*	*			cis	-172.1	158.7	6.7	21.3	0	0	0	0	106.3
396	I	26.6	Very low	27.5	Very low	148 Å²	148	142.7 Å²	142.7	76%	0.759	77%	0.767	S	S	*	*			cis	-154.2	159.5	3.7	-122.4	162.5	0	0	0	107.5
397	L	24.4	Very low	27.5	Very low	160 Å²	160	143 Å²	143	84%	0.838	76%	0.764	S	S	*	*			trans	-146.5	116.4	171.3	-136.4	161.4	0	0	0	111.7
398	Y	22.1	Very low	27.7	Very low	192 Å²	192	144.6 Å²	144.6	75%	0.753	75%	0.754	S	S	*	*			trans	-110.1	143.6	162.3	-84.9	-85.1	0	0	0	107.8
399	P	29.7	Very low	27.8	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	75%	0.753	S	S	*	*				-136.1	153.9	116.6	36.9	-27.6	0	0	0	113.7
400	Y	24.6	Very low	28.1	Very low	211 Å²	211	140.3 Å²	140.3	83%	0.827	75%	0.748	S	S	*	*			trans	-77.6	139.3	167.1	-93.1	-108.8	0	0	0	111
401	T	28.5	Very low	28.1	Very low	127 Å²	127	138.2 Å²	138.2	78%	0.779	74%	0.742	S	S	*	*			trans	-145.6	113.4	149.1	33.1	0	0	0	0	111.6
402	L	30	Very low	28.1	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	75%	0.751	S	S	*	*			trans	44.5	103.1	137.9	-67.3	158.5	0	0	0	120.9
403	N	28	Very low	28.3	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	74%	0.739	S	S	*	*				52.3	133.5	122.4	-60.7	6.2	0	0	0	123.2
404	H	29.8	Very low	28.6	Very low	166 Å²	166	139 Å²	139	77%	0.769	74%	0.742	S	S	*	*			trans	70.1	125.6	163.5	-59.9	-61.9	0	0	0	117
405	S	26.9	Very low	28.8	Very low	82 Å²	82	138.4 Å²	138.4	57%	0.573	74%	0.737	S	S	*	*			cis	74.9	124.5	35.9	84.2	0	0	0	0	113.6
406	H	30.1	Very low	29	Very low	147 Å²	147	140.7 Å²	140.7	68%	0.681	74%	0.741	S	S	*	*			cis	-122.6	-173.5	3.7	-86.4	-90.6	0	0	0	109.7	N408	H406-N408 PolarHBondContact ND1-ND2 2.84Å
407	D	31.6	Very low	29.2	Very low	142 Å²	142	140 Å²	140	76%	0.759	74%	0.739	S	S	*	*			cis	-151	149.4	41.2	-83.5	-55.2	0	0	0	110.2
408	N	30	Very low	29.6	Very low	108 Å²	108	138 Å²	138	58%	0.578	73%	0.729	S	S	*	*			cis	92.9	101.5	42.1	-73.4	-35.7	0	0	0	114.5	H406	H406-N408 PolarHBondContact ND1-ND2 2.84Å
409	D	32.9	Very low	29.9	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	73%	0.733	S	S	*	*			trans	-128.9	122.2	141.2	-92.5	-45.3	0	0	0	106.2
410	N	31.7	Very low	29.8	Very low	125 Å²	125	138.6 Å²	138.6	67%	0.668	73%	0.729	S	S	*	*				63.4	129	72.8	-62.6	-45.1	0	0	0	112.4
411	L	30.3	Very low	29.9	Very low	142 Å²	142	137.8 Å²	137.8	74%	0.743	73%	0.73	S	S	*	*			cis	-161.6	142.7	4.6	-121.2	166.5	0	0	0	109.3
412	L	30.9	Very low	30.4	Very low	172 Å²	172	136.6 Å²	136.6	90%	0.901	73%	0.725	S	S	*	*			trans	-177.4	148.2	133.3	-102.4	164.8	0	0	0	111.7
413	S	28.5	Very low	30.3	Very low	90 Å²	90	136.9 Å²	136.9	63%	0.629	73%	0.726	S	S	*	*			trans	-120.2	152.3	-164.8	56.3	0	0	0	0	113.4
414	N	31.6	Very low	30.4	Very low	168 Å²	168	136.1 Å²	136.1	90%	0.898	73%	0.727	S	S	*	*			trans	-154.3	155.6	136.9	-103.5	-32.5	0	0	0	111.6
415	S	30.2	Very low	30.3	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	73%	0.73	S	S	*	*			trans	-107.7	156.6	-163.3	56.1	0	0	0	0	114.1
416	L	31.7	Very low	30.3	Very low	147 Å²	147	143.3 Å²	143.3	77%	0.77	74%	0.739	S	S	*	*				-178.2	156.9	116.2	-94.7	159.6	0	0	0	112.7
417	N	30.6	Very low	30.4	Very low	135 Å²	135	144 Å²	144	72%	0.722	75%	0.748	S	S	*	*			trans	-27	160.2	172.1	-40.6	-19.8	0	0	0	116.4
418	D	31	Very low	30.2	Very low	117 Å²	117	142.1 Å²	142.1	63%	0.626	75%	0.746	S	S	*	*			cis	-171	157.8	33.2	-141.4	2.9	0	0	0	106.5
419	R	30.1	Very low	30.3	Very low	223 Å²	223	145.2 Å²	145.2	84%	0.842	76%	0.762	S	S	*	*			cis	-149.4	-177.7	16.6	-76.9	-173.5	174.3	179.1	0.8	111.5
420	S	26	Very low	30.3	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	76%	0.76	S	S	*	*			trans	-132.3	154	166.7	57.3	0	0	0	0	113
421	F	27.7	Very low	29.9	Very low	194 Å²	194	144.8 Å²	144.8	85%	0.851	77%	0.768	S	S	*	*				159.6	147.4	126.8	-93.1	-75.5	0	0	0	113
422	P	39.3	Very low	30.6	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	76%	0.761	S	S	*	*			trans	-117	-176.4	-179	40.1	-26.3	0	0	0	113.7
423	L	27.7	Very low	30.6	Very low	149 Å²	149	141 Å²	141	78%	0.78	75%	0.753	S	S	*	*				163	135.1	129.5	-86.1	163.1	0	0	0	116.5
424	T	28.9	Very low	30.8	Very low	113 Å²	113	142.9 Å²	142.9	69%	0.693	76%	0.756	S	S	*	*			trans	74.6	134.7	138.9	55	0	0	0	0	126.5
425	R	28.7	Very low	30.8	Very low	220 Å²	220	141.1 Å²	141.1	83%	0.83	75%	0.751	S	S	*	*			trans	93.1	114	132.2	-85.1	173.4	-177.8	-162.7	3.5	123
426	K	27	Very low	30.7	Very low	179 Å²	179	140.6 Å²	140.6	78%	0.778	75%	0.753	S	S	*	*				50.3	126.5	128	-67.6	-171.7	173.1	-166.3	0	121.2
427	N	31.7	Very low	30.4	Very low	161 Å²	161	141.3 Å²	141.3	86%	0.861	76%	0.756	S	S	*	*				-170.1	179.7	100.5	-99.9	-12.3	0	0	0	112.7
428	S	27.2	Very low	30.8	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	75%	0.753	S	S	*	*			trans	-137.8	148.1	-165.6	55.4	0	0	0	0	113.4
429	L	31.5	Very low	30.6	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	76%	0.761	S	S	*	*			trans	171.8	151.2	158.5	-91.1	149.8	0	0	0	106.6
430	S	33.3	Very low	30.4	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	75%	0.75	S	S	*	*			cis	-153.9	166.3	-4.5	48.9	0	0	0	0	111.1
431	N	24.9	Very low	30.6	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	76%	0.758	S	S	*	*			trans	-101.1	-165.3	-176.9	-141.1	19	0	0	0	110.3
432	P	44.1	Very low	30.6	Very low	92 Å²	92	135.3 Å²	135.3	60%	0.597	75%	0.754	S	S	*	*			cis	-141.2	-153.5	-4.5	38.8	-14.6	0	0	0	115.6
433	L	31.6	Very low	30.1	Very low	143 Å²	143	138.9 Å²	138.9	75%	0.749	77%	0.766	S	S	*	*			trans	92.4	125.2	167.1	-47.6	177.1	0	0	0	116.6
434	D	31.8	Very low	30	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	77%	0.766	S	S	*	*			cis	-158	139.1	-7.2	-119	-1.6	0	0	0	114.7
435	V	31	Very low	29.8	Very low	131 Å²	131	139.3 Å²	139.3	79%	0.794	77%	0.766	S	S	*	*			trans	57.5	133.9	132.3	172.6	0	0	0	0	120.4
436	A	28.3	Very low	29.8	Very low	87 Å²	87	134.8 Å²	134.8	72%	0.719	76%	0.763	S	S	*	*			cis	-151.1	167.3	11.1	0	0	0	0	0	115.5
437	I	25.1	Very low	29.6	Very low	162 Å²	162	132.2 Å²	132.2	83%	0.831	76%	0.762	S	S	*	*			trans	-155.6	-177.6	162	3.6	172.4	0	0	0	106.5
438	P	39.6	Very low	29.5	Very low	101 Å²	101	131.5 Å²	131.5	66%	0.656	76%	0.764	S	S	*	*			cis	-137.6	-172.7	-26.5	35.8	-15.3	0	0	0	114.9
439	L	26.6	Very low	29.4	Very low	152 Å²	152	131.9 Å²	131.9	80%	0.796	77%	0.767	S	S	*	*			trans	79.4	124.5	138.7	-89	165.5	0	0	0	125
440	S	27.2	Very low	29.2	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	76%	0.755	S	S	*	*			trans	53.5	128.9	136.5	62.8	0	0	0	0	123.9
441	N	30.2	Very low	29	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	76%	0.759	S	S	*	*				-165.4	166.7	105.2	-97.3	1.5	0	0	0	113.4
442	D	27.3	Very low	28.9	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	75%	0.754	S	S	*	*			trans	-74.8	161.9	-164.7	-50.8	-84.7	0	0	0	117.2
443	L	29	Very low	27.9	Very low	177 Å²	177	130 Å²	130	93%	0.927	77%	0.765	S	S	*	*			trans	-145.5	144.7	135.6	-135.2	100.1	0	0	0	109.9
444	H	25	Very low	27.6	Very low	169 Å²	169	127.3 Å²	127.3	78%	0.782	76%	0.764	S	S	*	*			trans	-146.9	166.8	-171.7	-151.8	-86.5	0	0	0	112.3
445	C	24.5	Very low	27.3	Very low	103 Å²	103	128.2 Å²	128.2	70%	0.696	77%	0.769	S	S	*	*			trans	78.9	149.7	178.5	-60.7	0	0	0	0	116.3
446	T	28.4	Very low	26.9	Very low	124 Å²	124	129 Å²	129	76%	0.761	77%	0.767	S	S	*	*			cis	-148.3	129.1	10.4	-16.6	0	0	0	0	114.2
447	V	23.9	Very low	26.7	Very low	125 Å²	125	131.6 Å²	131.6	76%	0.758	78%	0.775	S	S	*	*			trans	30	125.4	137.7	-177.3	0	0	0	0	121
448	T	29.4	Very low	26.7	Very low	147 Å²	147	129 Å²	129	90%	0.902	77%	0.771	S	S	*	*				-153.9	165	123.6	7.5	0	0	0	0	110.4
449	S	25	Very low	25.9	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	78%	0.775	S	S	*	*			trans	-116.7	154	-160.6	56.1	0	0	0	0	114.8
450	A	26.4	Very low	25.8	Very low	80 Å²	80	128.5 Å²	128.5	66%	0.661	77%	0.772	S	S	*	*				169.8	149.7	126.2	0	0	0	0	0	114.1
451	H	29.8	Very low	25.9	Very low	181 Å²	181	131.3 Å²	131.3	84%	0.838	79%	0.785	S	S	*	*			trans	31.4	142.7	153.8	-51.8	-53.8	0	0	0	121.8
452	S	23.5	Very low	25.7	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	78%	0.779	S	S	*	*			cis	93.9	117	27.6	-166.6	0	0	0	0	115.8
453	C	23	Very low	25.8	Very low	125 Å²	125	132.7 Å²	132.7	85%	0.845	79%	0.785	S	S	*	*			trans	80.6	138.9	163.5	-68.2	0	0	0	0	122.1
454	A	23.6	Very low	25.6	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	78%	0.775	S	S	*	*			trans	89.5	162.2	142	0	0	0	0	0	122.1
455	D	26.4	Very low	25.8	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	78%	0.78	S	S	*	*			trans	65.4	134.8	171	-54.5	-23.4	0	0	0	119.2
456	L	22.7	Very low	25.8	Very low	146 Å²	146	133.3 Å²	133.3	76%	0.764	78%	0.783	S	S	*	*			cis	76.9	108.2	21.4	-66.4	174.6	0	0	0	117.6
457	T	24.6	Very low	25.7	Very low	142 Å²	142	133.1 Å²	133.1	87%	0.871	79%	0.787	S	S	*	*			trans	67.3	165.2	167.1	74.9	0	0	0	0	114.6
458	S	24.1	Very low	25.8	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	79%	0.788	S	S	*	*			cis	-142.3	177.6	5.8	65.4	0	0	0	0	113
459	D	23.9	Very low	25.6	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	77%	0.772	S	S	*	*			trans	-62.9	158.7	176.3	-63.2	-86.6	0	0	0	116
460	S	24.7	Very low	25.5	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	76%	0.764	S	S	*	*			trans	65.2	122.9	143	66.7	0	0	0	0	121.4
461	T	28.8	Very low	25.6	Very low	145 Å²	145	134.5 Å²	134.5	89%	0.89	76%	0.761	S	S	*	*				-130.8	143	117.1	43.7	0	0	0	0	109.5
462	I	26.2	Very low	25.5	Very low	133 Å²	133	132.8 Å²	132.8	68%	0.682	76%	0.757	S	S	*	*			trans	-83.7	145.7	-179.8	-65.9	160.4	0	0	0	109.7
463	H	29.4	Very low	25.8	Very low	191 Å²	191	135.2 Å²	135.2	88%	0.884	76%	0.758	S	S	*	*			trans	-138.4	129.7	140.9	-109.3	-72.9	0	0	0	109.2
464	D	24.9	Very low	26.5	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	75%	0.747	S	S	*	*			trans	-66.3	147.9	173.6	-63.4	-85.3	0	0	0	111.5
465	D	28.4	Very low	27.2	Very low	165 Å²	165	135.9 Å²	135.9	88%	0.882	73%	0.73	S	S	*	*			trans	-142.7	143.8	140.5	-154.4	-6.8	0	0	0	110.2
466	Q	25.3	Very low	27.9	Very low	162 Å²	162	131.2 Å²	131.2	76%	0.757	70%	0.703	S	S	*	*			trans	-101.9	144.5	-172.6	-67.8	-170.1	3.7	0	0	112.3
467	S	25.5	Very low	28.9	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	69%	0.69	S	S	*	*			trans	72.2	100.6	162.3	78.1	0	0	0	0	118.9
468	S	25.6	Very low	29.8	Very low	112 Å²	112	123.9 Å²	123.9	78%	0.783	66%	0.659	S	S	*	*			trans	-159.2	126.3	142.9	42.9	0	0	0	0	108.9
469	K	24.8	Very low	30.6	Very low	132 Å²	132	121 Å²	121	57%	0.574	64%	0.636	S	S	*	*				44.4	96.8	85.7	-67.4	-172.8	179	-176	0	113.5	N240	N240-K469 PolarHBondContact ND2-NZ 3.07Å; N240-K469 PolarHBondContact OD1-NZ 2.78Å
470	N	24.8	Very low	31.4	Very low	111 Å²	111	116.1 Å²	116.1	59%	0.594	61%	0.609	S	S	*	*				165.8	146.1	105.8	-90.7	-56.9	0	0	0	116.3
471	K	28.1	Very low	32.1	Very low	136 Å²	136	118.7 Å²	118.7	59%	0.591	60%	0.603	S	S	*	*			trans	46.2	85.3	136.3	-57.2	170.4	-175.7	-176.7	0	119
472	N	27.7	Very low	32.6	Very low	144 Å²	144	115.6 Å²	115.6	77%	0.77	59%	0.592	S	S	*	*			trans	-117.1	56.3	149.9	-89.8	-35.7	0	0	0	110.7	Y474	N472-Y474 WeakPolarHBondContact O-CD2 3.48Å
473	E	28.8	Very low	33.3	Very low	154 Å²	154	118.7 Å²	118.7	72%	0.72	60%	0.595	S	S	*	*			trans	-85.2	114.6	170.8	-179.7	177.6	-119.3	0	0	108.6	R853	E473-R853 VanDerWaalsContact O-CZ 3.23Å; E473-R853 PolarHBondContact O-NH1 2.63Å; E473-R853 PolarHBondContact O-NH2 2.75Å
474	Y	39.1	Very low	33.8	Very low	160 Å²	160	113.6 Å²	113.6	63%	0.627	57%	0.57	S	S	*	*			trans	-76.9	150	-173.4	-71.3	-94.7	0	0	0	112.7	N472	N472-Y474 WeakPolarHBondContact O-CD2 3.48Å
475	L	36.6	Very low	34.8	Very low	66 Å²	66	114 Å²	114	35%	0.346	57%	0.572	S	S	.	*			trans	-96.6	121.5	172.6	-116.8	174.3	0	0	0	107.8	V479 R853	L475-V479 HydrophobicContact CD2-CG2 3.7Å; L475-R853 HydrophobicContact CB-CG 4.26Å; L475-R853 HydrophobicContact CD1-CG 3.96Å; L475-R853 VanDerWaalsContact N-NH1 3.17Å
476	E	41.7	Very low	35.6	Very low	50 Å²	50	114.2 Å²	114.2	23%	0.234	57%	0.568	C	S	.	*			trans	-108.7	144.6	-158.8	-149.2	-96.1	-137.4	0	0	110.7	R478 V479	E476-R478 PolarHBondContact O-N 2.73Å; E476-R478 IonicContact OE1-CZ 2.92Å; E476-R478 VanDerWaalsContact OE1-CZ 3.26Å; E476-R478 IonicContact OE1-NE 3.37Å; E476-R478 PolarHBondContact OE1-NE 3.23Å; E476-R478 IonicContact OE1-NH2 3.16Å; E476-R478 PolarHBondContact OE1-NH2 3.03Å; E476-R478 WeakPolarHBondContact OE2-CD 3.49Å; E476-R478 WeakPolarHBondContact OE2-CG 3.32Å; E476-R478 PolarHBondContact OE2-N 2.97Å; E476-R478 IonicContact OE2-NE 2.75Å; E476-V479 PolarHBondContact O-N 2.8Å
477	P	43.4	Very low	36.9	Very low	75 Å²	75	108.3 Å²	108.3	49%	0.487	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-23.3	178.1	-32.9	37.3	0	0	0	116.9	V479 F480	P477-V479 PolarHBondContact O-N 3.01Å; P477-F480 PolarHBondContact O-N 3.47Å
478	R	43.6	Very low	38.5	Very low	58 Å²	58	102.8 Å²	102.8	22%	0.219	51%	0.509	C	S	.	.	H	α-helix	trans	-35.4	-40.3	166.2	-81.6	161.6	-157.1	-50	-39	115.8	E476 F480 R481 A482 M710 N711 S712	E476-R478 PolarHBondContact O-N 2.73Å; E476-R478 IonicContact OE1-CZ 2.92Å; E476-R478 VanDerWaalsContact OE1-CZ 3.26Å; E476-R478 IonicContact OE1-NE 3.37Å; E476-R478 PolarHBondContact OE1-NE 3.23Å; E476-R478 IonicContact OE1-NH2 3.16Å; E476-R478 PolarHBondContact OE1-NH2 3.03Å; E476-R478 WeakPolarHBondContact OE2-CD 3.49Å; E476-R478 WeakPolarHBondContact OE2-CG 3.32Å; E476-R478 PolarHBondContact OE2-N 2.97Å; E476-R478 IonicContact OE2-NE 2.75Å; R478-F480 PolarHBondContact O-N 3.11Å; R478-F480 VanDerWaalsContact O-N 3.17Å; R478-R481 PolarHBondContact O-N 2.87Å; R478-A482 VanDerWaalsContact O-CB 3.26Å; R478-A482 WeakPolarHBondContact O-CB 3.35Å; R478-A482 PolarHBondContact O-N 3.29Å; R478-M710 PolarHBondContact NH2-SD 2.84Å; R478-N711 VanDerWaalsContact CZ-C 3.43Å; R478-N711 PolarHBondContact NE-O 2.98Å; R478-S712 PolarHBondContact NH1-OG 3.48Å
479	V	41.8	Very low	40.5	Very low	47 Å²	47	101.9 Å²	101.9	29%	0.285	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-29.4	-176.7	-179.1	0	0	0	0	111.8	L475 E476 P477 Y860	L475-V479 HydrophobicContact CD2-CG2 3.7Å; E476-V479 PolarHBondContact O-N 2.8Å; P477-V479 PolarHBondContact O-N 3.01Å; V479-Y860 HydrophobicContact CG1-CE2 3.89Å
480	F	41.1	Very low	42.8	Very low	36 Å²	36	99.7 Å²	99.7	16%	0.158	49%	0.489	C	S	.	.	H	α-helix	trans	-76.5	-55.5	172.1	-70.3	-79.8	0	0	0	112.9	P477 R478 I491 Q492 L495 F856	P477-F480 PolarHBondContact O-N 3.47Å; R478-F480 PolarHBondContact O-N 3.11Å; R478-F480 VanDerWaalsContact O-N 3.17Å; F480-I491 HydrophobicContact CD1-CG2 4.3Å; F480-I491 HydrophobicContact CE1-CG2 4.08Å; F480-Q492 HydrophobicContact CD1-CB 3.75Å; F480-Q492 HydrophobicContact CD1-CG 4.18Å; F480-Q492 HydrophobicContact CE1-CB 4.05Å; F480-Q492 HydrophobicContact CE1-CG 4.39Å; F480-L495 HydrophobicContact CE1-CB 4.16Å; F480-L495 HydrophobicContact CE1-CD1 3.56Å; F480-L495 HydrophobicContact CE1-CG 4.47Å; F480-L495 HydrophobicContact CZ-CB 4.05Å; F480-L495 HydrophobicContact CZ-CD1 3.64Å; F480-L495 HydrophobicContact CZ-CG 4.47Å; F480-F856 AromaticContact CE2-CE2 3.94Å; F480-F856 HydrophobicContact CE2-CE2 3.94Å; F480-F856 AromaticContact CE2-CZ 3.59Å; F480-F856 HydrophobicContact CE2-CZ 3.59Å; F480-F856 AromaticContact CZ-CE2 3.79Å; F480-F856 HydrophobicContact CZ-CE2 3.79Å; F480-F856 AromaticContact CZ-CZ 3.67Å; F480-F856 HydrophobicContact CZ-CZ 3.67Å
481	R	39.3	Very low	45.3	Very low	160 Å²	160	94.7 Å²	94.7	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-73.4	-29	-169.5	-78.7	-176	177.4	157.8	-3.5	114.4	R478 E720	R478-R481 PolarHBondContact O-N 2.87Å; R481-E720 IonicContact CZ-OE1 3.45Å; R481-E720 IonicContact NH1-OE1 3.2Å; R481-E720 PolarHBondContact NH1-OE1 3.43Å; R481-E720 IonicContact NH2-OE1 3.19Å
482	A	38.9	Very low	47.5	Very low	80 Å²	80	92 Å²	92	66%	0.661	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.7	-163.1	0	0	0	0	0	116.4	R478	R478-A482 VanDerWaalsContact O-CB 3.26Å; R478-A482 WeakPolarHBondContact O-CB 3.35Å; R478-A482 PolarHBondContact O-N 3.29Å
483	R	40.1	Very low	49.9	Very low	198 Å²	198	92.8 Å²	92.8	75%	0.747	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-22.9	-170.9	-76.2	-169.4	173	-162.7	-2.4	116.6
484	F	40.4	Very low	52.5	Low	83 Å²	83	88.4 Å²	88.4	36%	0.364	42%	0.422	S	S	.	.			trans	-149	87.2	-164.5	-59.7	-71.1	0	0	0	113.5	Q486 A487 G488 I491	F484-Q486 PolarHBondContact O-N 3.03Å; F484-A487 HydrophobicContact CB-CB 4.1Å; F484-A487 HydrophobicContact CD1-CB 4.32Å; F484-A487 HydrophobicContact CG-CB 4.36Å; F484-G488 WeakPolarHBondContact O-CA 3.22Å; F484-G488 PolarHBondContact O-N 2.93Å; F484-I491 HydrophobicContact CD2-CD1 4.14Å; F484-I491 HydrophobicContact CE2-CD1 4.39Å
485	N	45.1	Very low	54.6	Low	144 Å²	144	80.8 Å²	80.8	77%	0.77	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-10	-177	-69.4	-4	0	0	0	115.4	N489	N485-N489 PolarHBondContact O-ND2 2.72Å
486	Q	45.9	Very low	56.8	Low	170 Å²	170	82.1 Å²	82.1	79%	0.794	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-57.9	168.2	-74.9	-177.3	-18.7	0	0	112.2	F484 G488 N489	F484-Q486 PolarHBondContact O-N 3.03Å; Q486-G488 PolarHBondContact O-N 3.44Å; Q486-N489 WeakPolarHBondContact O-CB 3.39Å; Q486-N489 PolarHBondContact O-N 3.49Å; Q486-N489 VanDerWaalsContact O-N 3.12Å
487	A	51.6	Low	59	Low	38 Å²	38	85.4 Å²	85.4	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-27.1	-179.8	0	0	0	0	0	113.5	F484 N489 I490 I491	F484-A487 HydrophobicContact CB-CB 4.1Å; F484-A487 HydrophobicContact CD1-CB 4.32Å; F484-A487 HydrophobicContact CG-CB 4.36Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 2.97Å; A487-I490 WeakPolarHBondContact O-CB 3.14Å; A487-I490 PolarHBondContact O-N 2.87Å; A487-I490 VanDerWaalsContact O-N 3.1Å; A487-I491 WeakPolarHBondContact O-CG1 3.44Å; A487-I491 PolarHBondContact O-N 2.92Å
488	G	60.2	Low	61.1	Low	4 Å²	4	86 Å²	86	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-32.1	177.3	0	0	0	0	0	112.7	F484 Q486 I490 I491 Q492	F484-G488 WeakPolarHBondContact O-CA 3.22Å; F484-G488 PolarHBondContact O-N 2.93Å; Q486-G488 PolarHBondContact O-N 3.44Å; G488-I490 VanDerWaalsContact C-N 3.32Å; G488-I490 PolarHBondContact O-N 2.86Å; G488-I491 PolarHBondContact O-N 2.87Å; G488-Q492 WeakPolarHBondContact O-CB 3.39Å; G488-Q492 PolarHBondContact O-N 2.92Å
489	N	67	Low	63.1	Low	94 Å²	94	85.9 Å²	85.9	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-67.5	-34.6	173.8	-62.8	-38.8	0	0	0	111.6	N485 Q486 A487 R493	N485-N489 PolarHBondContact O-ND2 2.72Å; Q486-N489 WeakPolarHBondContact O-CB 3.39Å; Q486-N489 PolarHBondContact O-N 3.49Å; Q486-N489 VanDerWaalsContact O-N 3.12Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 2.97Å; N489-R493 WeakPolarHBondContact O-CB 3.41Å; N489-R493 PolarHBondContact O-N 3.45Å
490	I	73.6	Confident	65.4	Low	86 Å²	86	90.4 Å²	90.4	44%	0.441	43%	0.427	S	S	.	.	H	α-helix	trans	-72.2	-46.2	176.2	-57.4	176.3	0	0	0	110	A487 G488 Q492 R493 K494 I867	A487-I490 WeakPolarHBondContact O-CB 3.14Å; A487-I490 PolarHBondContact O-N 2.87Å; A487-I490 VanDerWaalsContact O-N 3.1Å; G488-I490 VanDerWaalsContact C-N 3.32Å; G488-I490 PolarHBondContact O-N 2.86Å; I490-Q492 PolarHBondContact O-N 3.45Å; I490-R493 PolarHBondContact O-N 2.71Å; I490-K494 WeakPolarHBondContact O-CB 3.45Å; I490-K494 PolarHBondContact O-N 3.34Å; I490-I867 HydrophobicContact CG2-CD1 4.23Å
491	I	78.3	Confident	67.7	Low	5 Å²	5	92.6 Å²	92.6	3%	0.026	44%	0.438	C	S	.	.	H	α-helix	trans	-60.4	-44.4	176	-66.5	161.6	0	0	0	110.7	F480 F484 A487 G488 L495 Y860 V863 L864 I867	F480-I491 HydrophobicContact CD1-CG2 4.3Å; F480-I491 HydrophobicContact CE1-CG2 4.08Å; F484-I491 HydrophobicContact CD2-CD1 4.14Å; F484-I491 HydrophobicContact CE2-CD1 4.39Å; A487-I491 WeakPolarHBondContact O-CG1 3.44Å; A487-I491 PolarHBondContact O-N 2.92Å; G488-I491 PolarHBondContact O-N 2.87Å; I491-L495 HydrophobicContact CG2-CD1 3.81Å; I491-L495 WeakPolarHBondContact O-CB 3.35Å; I491-L495 WeakPolarHBondContact O-CG 3.02Å; I491-L495 PolarHBondContact O-N 3.29Å; I491-Y860 HydrophobicContact CG2-CD2 4.19Å; I491-Y860 HydrophobicContact CG2-CE2 3.93Å; I491-V863 HydrophobicContact CB-CG1 4.41Å; I491-V863 HydrophobicContact CG1-CG1 4.36Å; I491-V863 HydrophobicContact CG2-CG1 4.2Å; I491-L864 HydrophobicContact CD1-CD2 3.71Å; I491-L864 HydrophobicContact CG1-CD2 4.35Å; I491-I867 HydrophobicContact CD1-CD1 4.39Å; I491-I867 HydrophobicContact CG1-CD1 3.49Å; I491-I867 VanDerWaalsContact CG1-CD1 3.49Å
492	Q	72.7	Confident	70.2	Confident	79 Å²	79	85.6 Å²	85.6	37%	0.369	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-45.8	176.8	-174.6	174.7	-12.3	0	0	111.9	F480 G488 I490 L495 I496	F480-Q492 HydrophobicContact CD1-CB 3.75Å; F480-Q492 HydrophobicContact CD1-CG 4.18Å; F480-Q492 HydrophobicContact CE1-CB 4.05Å; F480-Q492 HydrophobicContact CE1-CG 4.39Å; G488-Q492 WeakPolarHBondContact O-CB 3.39Å; G488-Q492 PolarHBondContact O-N 2.92Å; I490-Q492 PolarHBondContact O-N 3.45Å; Q492-L495 PolarHBondContact O-N 3.29Å; Q492-I496 HydrophobicContact CG-CD1 3.86Å; Q492-I496 VanDerWaalsContact O-CG1 3.31Å; Q492-I496 WeakPolarHBondContact O-CG1 3.43Å; Q492-I496 PolarHBondContact O-N 3.45Å
493	R	78.2	Confident	72.6	Confident	161 Å²	161	82.4 Å²	82.4	61%	0.608	38%	0.384	S	S	*	.	H	α-helix	trans	-62.3	-52	178	-165.5	-171.8	-61.8	154.8	2.3	111.8	N489 I490 L495 I496 E497	N489-R493 WeakPolarHBondContact O-CB 3.41Å; N489-R493 PolarHBondContact O-N 3.45Å; I490-R493 PolarHBondContact O-N 2.71Å; R493-L495 PolarHBondContact O-N 2.95Å; R493-I496 PolarHBondContact O-N 3.13Å; R493-I496 VanDerWaalsContact O-N 3.14Å; R493-E497 WeakPolarHBondContact CG-OE1 3.33Å; R493-E497 WeakPolarHBondContact O-CG 3.47Å; R493-E497 PolarHBondContact O-N 3.49Å
494	K	83.9	Confident	75.1	Confident	62 Å²	62	79.4 Å²	79.4	27%	0.27	38%	0.377	S	S	.	.	H	α-helix	trans	-56.3	-32.1	176.6	-82	-174.1	167.7	-177.7	0	113	I490 E497 R498 V863 S866	I490-K494 WeakPolarHBondContact O-CB 3.45Å; I490-K494 PolarHBondContact O-N 3.34Å; K494-E497 WeakPolarHBondContact CA-OE2 3.4Å; K494-R498 WeakPolarHBondContact O-CB 3.5Å; K494-R498 VanDerWaalsContact O-CG 3.26Å; K494-R498 WeakPolarHBondContact O-CG 3.31Å; K494-R498 PolarHBondContact O-N 3.5Å; K494-V863 HydrophobicContact CB-CG1 3.8Å; K494-V863 HydrophobicContact CB-CG2 3.95Å; K494-V863 HydrophobicContact CD-CG1 3.93Å; K494-S866 PolarHBondContact NZ-OG 2.96Å
495	L	84.3	Confident	77.6	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-82.4	-35.7	177.5	-76.2	164	0	0	0	113.1	F480 I491 Q492 R493 E497 R498 M499 Y502 F856 A859 Y860 V863	F480-L495 HydrophobicContact CE1-CB 4.16Å; F480-L495 HydrophobicContact CE1-CD1 3.56Å; F480-L495 HydrophobicContact CE1-CG 4.47Å; F480-L495 HydrophobicContact CZ-CB 4.05Å; F480-L495 HydrophobicContact CZ-CD1 3.64Å; F480-L495 HydrophobicContact CZ-CG 4.47Å; I491-L495 HydrophobicContact CG2-CD1 3.81Å; I491-L495 WeakPolarHBondContact O-CB 3.35Å; I491-L495 WeakPolarHBondContact O-CG 3.02Å; I491-L495 PolarHBondContact O-N 3.29Å; Q492-L495 PolarHBondContact O-N 3.29Å; R493-L495 PolarHBondContact O-N 2.95Å; L495-E497 VanDerWaalsContact C-N 3.31Å; L495-E497 PolarHBondContact O-N 2.91Å; L495-R498 CarbonylContact O-C 3.57Å; L495-R498 VanDerWaalsContact O-C 3.3Å; L495-R498 PolarHBondContact O-N 2.86Å; L495-R498 VanDerWaalsContact O-N 3.11Å; L495-M499 PolarHBondContact O-N 3.18Å; L495-Y502 HydrophobicContact CB-CE1 4.2Å; L495-Y502 HydrophobicContact CD2-CD1 4.45Å; L495-Y502 HydrophobicContact CD2-CE1 3.87Å; L495-Y502 WeakPolarHBondContact O-CE1 3.33Å; L495-Y502 PolarHBondContact O-OH 2.9Å; L495-F856 HydrophobicContact CD1-CE2 4.35Å; L495-F856 HydrophobicContact CD1-CZ 4.5Å; L495-A859 HydrophobicContact CD2-CB 3.71Å; L495-Y860 HydrophobicContact CD1-CD2 3.66Å; L495-Y860 HydrophobicContact CD1-CG 4.34Å; L495-V863 HydrophobicContact CD2-CG2 4.01Å; L495-V863 HydrophobicContact CG-CB 4.37Å; L495-V863 HydrophobicContact CG-CG1 4.47Å; L495-V863 HydrophobicContact CG-CG2 4.06Å
496	I	82.6	Confident	80	Confident	94 Å²	94	77.3 Å²	77.3	48%	0.482	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-43.5	171.3	-70.9	166.6	0	0	0	110.6	Q492 R493 R498 M499	Q492-I496 HydrophobicContact CG-CD1 3.86Å; Q492-I496 VanDerWaalsContact O-CG1 3.31Å; Q492-I496 WeakPolarHBondContact O-CG1 3.43Å; Q492-I496 PolarHBondContact O-N 3.45Å; R493-I496 PolarHBondContact O-N 3.13Å; R493-I496 VanDerWaalsContact O-N 3.14Å; I496-R498 VanDerWaalsContact C-N 3.29Å; I496-R498 PolarHBondContact O-N 3.46Å; I496-M499 WeakPolarHBondContact O-CB 3.37Å; I496-M499 PolarHBondContact O-N 3.03Å; I496-M499 VanDerWaalsContact O-N 3.17Å
497	E	86.1	Confident	82.3	Confident	119 Å²	119	74.7 Å²	74.7	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-57.5	-41.5	173.5	-68.7	159.8	-174.4	0	0	111.7	R493 K494 L495 M499 H500	R493-E497 WeakPolarHBondContact CG-OE1 3.33Å; R493-E497 WeakPolarHBondContact O-CG 3.47Å; R493-E497 PolarHBondContact O-N 3.49Å; K494-E497 WeakPolarHBondContact CA-OE2 3.4Å; L495-E497 VanDerWaalsContact C-N 3.31Å; L495-E497 PolarHBondContact O-N 2.91Å; E497-M499 VanDerWaalsContact C-N 3.34Å; E497-M499 PolarHBondContact O-N 2.82Å; E497-H500 PolarHBondContact O-ND1 2.85Å
498	R	88.9	Confident	84.5	Confident	88 Å²	88	73.1 Å²	73.1	33%	0.332	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11	179.3	-62.6	-178.8	73.6	131.1	6.5	114.4	K494 L495 I496 H500 E501 Y502	K494-R498 WeakPolarHBondContact O-CB 3.5Å; K494-R498 VanDerWaalsContact O-CG 3.26Å; K494-R498 WeakPolarHBondContact O-CG 3.31Å; K494-R498 PolarHBondContact O-N 3.5Å; L495-R498 CarbonylContact O-C 3.57Å; L495-R498 VanDerWaalsContact O-C 3.3Å; L495-R498 PolarHBondContact O-N 2.86Å; L495-R498 VanDerWaalsContact O-N 3.11Å; I496-R498 VanDerWaalsContact C-N 3.29Å; I496-R498 PolarHBondContact O-N 3.46Å; R498-H500 PolarHBondContact O-N 2.97Å; R498-E501 HydrophobicContact CB-CG 4.48Å; R498-E501 WeakPolarHBondContact CG-OE1 3.37Å; R498-E501 IonicContact CZ-OE1 3.37Å; R498-E501 IonicContact CZ-OE2 3.23Å; R498-E501 VanDerWaalsContact NE-CD 3.28Å; R498-E501 IonicContact NE-OE1 3.18Å; R498-E501 PolarHBondContact NE-OE1 3.23Å; R498-E501 IonicContact NE-OE2 2.76Å; R498-E501 PolarHBondContact NE-OE2 3.4Å; R498-E501 VanDerWaalsContact NE-OE2 3.09Å; R498-E501 VanDerWaalsContact NH2-CD 3.27Å; R498-E501 IonicContact NH2-OE1 2.72Å; R498-E501 PolarHBondContact NH2-OE1 3.24Å; R498-E501 IonicContact NH2-OE2 3.66Å; R498-E501 PolarHBondContact NH2-OE2 2.94Å; R498-E501 WeakPolarHBondContact O-CB 3.34Å; R498-E501 PolarHBondContact O-N 3.2Å; R498-Y502 WeakPolarHBondContact O-CD1 3.42Å
499	M	85.8	Confident	86.3	Confident	55 Å²	55	74.2 Å²	74.2	27%	0.271	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-22.7	-175.5	178.3	169.9	58.4	0	0	113.9	L495 I496 E497 E501 Y502 S503 R849	L495-M499 PolarHBondContact O-N 3.18Å; I496-M499 WeakPolarHBondContact O-CB 3.37Å; I496-M499 PolarHBondContact O-N 3.03Å; I496-M499 VanDerWaalsContact O-N 3.17Å; E497-M499 VanDerWaalsContact C-N 3.34Å; E497-M499 PolarHBondContact O-N 2.82Å; M499-E501 VanDerWaalsContact C-N 3.3Å; M499-E501 PolarHBondContact O-N 3.43Å; M499-Y502 HydrophobicContact CB-CE1 4.49Å; M499-Y502 HydrophobicContact CB-CE2 4.35Å; M499-Y502 HydrophobicContact CG-CE2 4.12Å; M499-S503 WeakPolarHBondContact CG-OG 3.21Å; M499-S503 WeakPolarHBondContact O-CB 3.44Å; M499-S503 PolarHBondContact O-N 3.34Å; M499-S503 PolarHBondContact O-OG 2.99Å; M499-R849 VanDerWaalsContact SD-CD 3.52Å
500	H	89.2	Confident	87.8	Confident	143 Å²	143	69.8 Å²	69.8	66%	0.662	32%	0.316	S	S	*	.	H	α-helix	trans	-68.7	-24.6	174.7	67.4	-87.4	0	0	0	113.3	E497 R498	E497-H500 PolarHBondContact O-ND1 2.85Å; R498-H500 PolarHBondContact O-N 2.97Å
501	E	89.9	Confident	89	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-76.8	-30.7	179	-59.2	173.9	-153.8	0	0	112.5	R498 M499	R498-E501 HydrophobicContact CB-CG 4.48Å; R498-E501 WeakPolarHBondContact CG-OE1 3.37Å; R498-E501 IonicContact CZ-OE1 3.37Å; R498-E501 IonicContact CZ-OE2 3.23Å; R498-E501 VanDerWaalsContact NE-CD 3.28Å; R498-E501 IonicContact NE-OE1 3.18Å; R498-E501 PolarHBondContact NE-OE1 3.23Å; R498-E501 IonicContact NE-OE2 2.76Å; R498-E501 PolarHBondContact NE-OE2 3.4Å; R498-E501 VanDerWaalsContact NE-OE2 3.09Å; R498-E501 VanDerWaalsContact NH2-CD 3.27Å; R498-E501 IonicContact NH2-OE1 2.72Å; R498-E501 PolarHBondContact NH2-OE1 3.24Å; R498-E501 IonicContact NH2-OE2 3.66Å; R498-E501 PolarHBondContact NH2-OE2 2.94Å; R498-E501 WeakPolarHBondContact O-CB 3.34Å; R498-E501 PolarHBondContact O-N 3.2Å; M499-E501 VanDerWaalsContact C-N 3.3Å; M499-E501 PolarHBondContact O-N 3.43Å
502	Y	90.8	Very high	90	Very high	12 Å²	12	65.4 Å²	65.4	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-119.5	-6.2	-170.2	65.7	-111.7	0	0	0	115.7	L495 R498 M499 I851 I852 F856 A859	L495-Y502 HydrophobicContact CB-CE1 4.2Å; L495-Y502 HydrophobicContact CD2-CD1 4.45Å; L495-Y502 HydrophobicContact CD2-CE1 3.87Å; L495-Y502 WeakPolarHBondContact O-CE1 3.33Å; L495-Y502 PolarHBondContact O-OH 2.9Å; R498-Y502 WeakPolarHBondContact O-CD1 3.42Å; M499-Y502 HydrophobicContact CB-CE1 4.49Å; M499-Y502 HydrophobicContact CB-CE2 4.35Å; M499-Y502 HydrophobicContact CG-CE2 4.12Å; Y502-I851 HydrophobicContact CD2-CG1 4.3Å; Y502-I851 HydrophobicContact CD2-CG2 4.12Å; Y502-I851 HydrophobicContact CE2-CD1 4.17Å; Y502-I851 HydrophobicContact CE2-CG1 4.32Å; Y502-I852 PolarHBondContact O-N 2.93Å; Y502-F856 HydrophobicContact CD1-CD2 4.08Å; Y502-F856 HydrophobicContact CD2-CB 4.2Å; Y502-F856 AromaticContact CD2-CD2 3.76Å; Y502-F856 HydrophobicContact CD2-CD2 3.76Å; Y502-F856 HydrophobicContact CD2-CG 4.46Å; Y502-F856 AromaticContact CE1-CD2 3.99Å; Y502-F856 HydrophobicContact CE1-CD2 3.99Å; Y502-F856 HydrophobicContact CE1-CE2 4.39Å; Y502-F856 AromaticContact CE2-CD2 3.69Å; Y502-F856 HydrophobicContact CE2-CD2 3.69Å; Y502-F856 HydrophobicContact CE2-CE2 4.29Å; Y502-F856 HydrophobicContact CG-CB 4.11Å; Y502-F856 AromaticContact CG-CD2 3.95Å; Y502-F856 HydrophobicContact CG-CD2 3.95Å; Y502-F856 AromaticContact CZ-CD2 3.79Å; Y502-A859 HydrophobicContact CD1-CB 3.84Å; Y502-A859 HydrophobicContact CE1-CB 4.5Å
503	S	90.6	Very high	91.2	Very high	13 Å²	13	61.7 Å²	61.7	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148	173.7	73.6	0	0	0	0	111.9	M499 R849 R850	M499-S503 WeakPolarHBondContact CG-OG 3.21Å; M499-S503 WeakPolarHBondContact O-CB 3.44Å; M499-S503 PolarHBondContact O-N 3.34Å; M499-S503 PolarHBondContact O-OG 2.99Å; S503-R849 PolarHBondContact OG-NH1 3.07Å; S503-R849 VanDerWaalsContact OG-NH1 3.13Å; S503-R850 CarbonylContact C-O 3.16Å; S503-R850 WeakPolarHBondContact CA-O 3.07Å
504	K	92.2	Very high	92.2	Very high	136 Å²	136	54 Å²	54	59%	0.591	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.2	166.3	-72.1	-169.9	-178	-175.7	0	109.3	R850 I852	K504-R850 PolarHBondContact N-O 3.31Å; K504-R850 PolarHBondContact O-N 3.16Å; K504-I852 HydrophobicContact CD-CD1 3.8Å; K504-I852 HydrophobicContact CG-CD1 3.82Å
505	I	93.3	Very high	92.8	Very high	78 Å²	78	51 Å²	51	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.8	171.1	-61	-55.6	0	0	0	109.7	D847 L848 R849	I505-D847 HydrophobicContact CG2-CB 3.43Å; I505-D847 VanDerWaalsContact CG2-CB 3.43Å; I505-D847 WeakPolarHBondContact CG2-OD1 3.37Å; I505-L848 CarbonylContact C-O 3.59Å; I505-L848 WeakPolarHBondContact CA-O 3.3Å; I505-R849 HydrophobicContact CD1-CB 4.44Å
506	K	94.5	Very high	93.4	Very high	104 Å²	104	51.1 Å²	51.1	45%	0.452	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	98.5	176	-78.7	-60.6	-171.4	-179.6	0	109.8	I508 F672 L848 R850	K506-I508 PolarHBondContact O-N 3.46Å; K506-F672 HydrophobicContact CB-CE2 3.94Å; K506-F672 HydrophobicContact CB-CZ 4.22Å; K506-F672 HydrophobicContact CG-CZ 4.37Å; K506-L848 PolarHBondContact N-O 2.99Å; K506-L848 PolarHBondContact O-N 2.85Å; K506-R850 HydrophobicContact CG-CB 4.41Å
507	K	96	Very high	94	Very high	116 Å²	116	46.7 Å²	46.7	50%	0.504	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	124.6	165.7	-168.4	131.9	-69.4	-179.8	0	110.4	S845 V846 D847	K507-S845 WeakPolarHBondContact CD-OG 3.5Å; K507-S845 WeakPolarHBondContact CE-OG 3.38Å; K507-S845 WeakPolarHBondContact CG-OG 3.33Å; K507-V846 CarbonylContact C-O 3.55Å; K507-V846 WeakPolarHBondContact CA-O 3.48Å; K507-D847 WeakPolarHBondContact CA-OD1 3.23Å; K507-D847 WeakPolarHBondContact CE-OD1 3.38Å; K507-D847 WeakPolarHBondContact CE-OD2 3.31Å; K507-D847 PolarHBondContact N-OD1 3.27Å; K507-D847 IonicContact NZ-OD1 2.79Å; K507-D847 IonicContact NZ-OD2 3.69Å; K507-D847 PolarHBondContact NZ-OD2 2.85Å
508	I	97.1	Very high	94.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	174.1	164.7	68.8	161	0	0	0	108.7	K506 I510 D543 I544 L637 V846 L848	K506-I508 PolarHBondContact O-N 3.46Å; I508-I510 HydrophobicContact CD1-CD1 4.1Å; I508-I510 HydrophobicContact CD1-CG1 3.94Å; I508-I510 HydrophobicContact CG1-CG1 4.35Å; I508-D543 WeakPolarHBondContact CA-OD2 3.38Å; I508-D543 HydrophobicContact CB-CB 4.08Å; I508-I544 HydrophobicContact CD1-CD1 3.69Å; I508-I544 HydrophobicContact CD1-CG1 4.18Å; I508-L637 HydrophobicContact CB-CD2 4.49Å; I508-L637 HydrophobicContact CD1-CD2 3.93Å; I508-L637 HydrophobicContact CG2-CD1 4.2Å; I508-L637 HydrophobicContact CG2-CD2 4.05Å; I508-V846 HydrophobicContact CG1-CB 4.14Å; I508-V846 PolarHBondContact N-O 3.25Å; I508-V846 PolarHBondContact O-N 3.45Å; I508-L848 HydrophobicContact CD1-CD1 3.57Å; I508-L848 HydrophobicContact CD1-CG 4.05Å; I508-L848 HydrophobicContact CG1-CD1 4.05Å; I508-L848 HydrophobicContact CG1-CG 4.05Å; I508-L848 HydrophobicContact CG2-CD1 4.31Å
509	H	98	Very high	94	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.13	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.2	171.7	-60.3	101.6	0	0	0	111.7	A542 D543 I544 Y843 F844 S845	H509-A542 HydrophobicContact CB-CB 4.22Å; H509-A542 CarbonylContact O-C 3.56Å; H509-D543 PolarHBondContact N-OD2 3.4Å; H509-D543 IonicContact ND1-OD2 2.74Å; H509-D543 PolarHBondContact O-N 3.36Å; H509-I544 PolarHBondContact O-N 3.22Å; H509-I544 VanDerWaalsContact O-N 3.13Å; H509-Y843 HydrophobicContact CB-CE1 3.87Å; H509-Y843 HydrophobicContact CB-CE2 4.43Å; H509-Y843 VanDerWaalsContact CB-OH 3.31Å; H509-Y843 WeakPolarHBondContact CB-OH 3.45Å; H509-Y843 AromaticContact CD2-CE1 3.61Å; H509-Y843 AromaticContact CG-CE1 3.86Å; H509-Y843 AromaticContact CG-CZ 3.84Å; H509-Y843 VanDerWaalsContact CG-OH 3.26Å; H509-F844 CarbonylContact C-O 3.58Å; H509-F844 VanDerWaalsContact CA-O 3.3Å; H509-F844 WeakPolarHBondContact CA-O 3.33Å; H509-S845 PolarHBondContact NE2-OG 2.9Å
510	I	98.4	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.2	178.7	-53.7	-170.8	0	0	0	109	I508 V512 I544 L676 F678 F731 F844 V846	I508-I510 HydrophobicContact CD1-CD1 4.1Å; I508-I510 HydrophobicContact CD1-CG1 3.94Å; I508-I510 HydrophobicContact CG1-CG1 4.35Å; I510-V512 HydrophobicContact CG2-CG2 4.04Å; I510-I544 WeakPolarHBondContact CA-O 3.49Å; I510-I544 HydrophobicContact CD1-CD1 4.06Å; I510-I544 HydrophobicContact CG1-CB 4.25Å; I510-I544 HydrophobicContact CG1-CD1 4.23Å; I510-I544 HydrophobicContact CG2-CB 4.3Å; I510-I544 HydrophobicContact CG2-CG2 4.48Å; I510-L676 HydrophobicContact CD1-CD1 3.98Å; I510-F678 HydrophobicContact CD1-CZ 4.28Å; I510-F678 HydrophobicContact CG2-CE1 4.05Å; I510-F678 HydrophobicContact CG2-CZ 4.35Å; I510-F731 HydrophobicContact CD1-CE2 4.04Å; I510-F731 HydrophobicContact CD1-CZ 4.35Å; I510-F844 PolarHBondContact N-O 2.95Å; I510-F844 PolarHBondContact O-N 3Å; I510-V846 HydrophobicContact CB-CG2 4.26Å; I510-V846 HydrophobicContact CD1-CB 4.15Å; I510-V846 HydrophobicContact CD1-CG1 4.18Å; I510-V846 HydrophobicContact CD1-CG2 3.83Å; I510-V846 HydrophobicContact CG1-CB 4.26Å; I510-V846 HydrophobicContact CG1-CG2 3.83Å
511	Y	98.4	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130	169	177.6	-76.2	0	0	0	108.7	W532 I544 Y545 V546 F547 S841 Y843	Y511-W532 PolarHBondContact OH-NE1 3.46Å; Y511-W532 PolarHBondContact OH-O 3.11Å; Y511-I544 PolarHBondContact N-O 3.26Å; Y511-Y545 AromaticContact CD1-CD1 3.51Å; Y511-Y545 HydrophobicContact CD1-CD1 3.51Å; Y511-Y545 HydrophobicContact CD1-CE1 4.04Å; Y511-Y545 HydrophobicContact CD1-CG 4.46Å; Y511-Y545 HydrophobicContact CD2-CD1 4.24Å; Y511-Y545 AromaticContact CD2-CE1 3.93Å; Y511-Y545 HydrophobicContact CD2-CE1 3.93Å; Y511-Y545 HydrophobicContact CE1-CD1 4.27Å; Y511-Y545 AromaticContact CG-CD1 3.5Å; Y511-Y545 HydrophobicContact CG-CD1 3.5Å; Y511-Y545 AromaticContact CG-CE1 3.63Å; Y511-Y545 HydrophobicContact CG-CE1 3.63Å; Y511-Y545 HydrophobicContact CG-CG 4.47Å; Y511-V546 PolarHBondContact O-N 3Å; Y511-F547 HydrophobicContact CD1-CE1 4.05Å; Y511-F547 HydrophobicContact CD1-CZ 4.49Å; Y511-F547 HydrophobicContact CE1-CD1 4.16Å; Y511-F547 AromaticContact CE1-CE1 3.56Å; Y511-F547 HydrophobicContact CE1-CE1 3.56Å; Y511-F547 HydrophobicContact CE1-CZ 4.37Å; Y511-S841 WeakPolarHBondContact OH-CB 3.4Å; Y511-S841 PolarHBondContact OH-OG 3Å; Y511-Y843 HydrophobicContact CD2-CD2 4.49Å
512	V	98.7	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	172.3	-174.4	0	0	0	0	108.2	I510 V546 F731 F733 I814 S841 A842 F844	I510-V512 HydrophobicContact CG2-CG2 4.04Å; V512-V546 WeakPolarHBondContact CA-O 3.39Å; V512-F731 HydrophobicContact CG2-CD1 4.14Å; V512-F731 HydrophobicContact CG2-CG 4.38Å; V512-F733 HydrophobicContact CG1-CB 4.21Å; V512-F733 HydrophobicContact CG1-CD1 4.03Å; V512-F733 HydrophobicContact CG1-CD2 3.47Å; V512-F733 VanDerWaalsContact CG1-CD2 3.47Å; V512-F733 HydrophobicContact CG1-CE1 4.29Å; V512-F733 HydrophobicContact CG1-CE2 3.73Å; V512-F733 HydrophobicContact CG1-CG 3.66Å; V512-F733 HydrophobicContact CG1-CZ 4.16Å; V512-I814 HydrophobicContact CB-CD1 4.33Å; V512-I814 HydrophobicContact CB-CG2 4.18Å; V512-I814 HydrophobicContact CG1-CD1 4.2Å; V512-I814 HydrophobicContact CG1-CG2 3.99Å; V512-I814 VanDerWaalsContact O-CD1 3.29Å; V512-I814 WeakPolarHBondContact O-CD1 3.28Å; V512-S841 CarbonylContact O-C 3.53Å; V512-S841 WeakPolarHBondContact O-CA 3.43Å; V512-S841 VanDerWaalsContact O-CB 3.27Å; V512-S841 WeakPolarHBondContact O-CB 3.49Å; V512-A842 PolarHBondContact N-O 2.91Å; V512-A842 PolarHBondContact O-N 3.46Å; V512-F844 HydrophobicContact CB-CE2 4.39Å; V512-F844 HydrophobicContact CG2-CD2 4.3Å; V512-F844 HydrophobicContact CG2-CE2 4.08Å
513	G	98.4	Very high	89.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	175.1	0	0	0	0	0	112	V546 G548 F733 V840	G513-V546 PolarHBondContact N-O 3.21Å; G513-G548 PolarHBondContact O-N 3.2Å; G513-F733 WeakPolarHBondContact O-CE2 3.41Å; G513-V840 CarbonylContact C-O 3.52Å; G513-V840 VanDerWaalsContact CA-O 3.29Å; G513-V840 WeakPolarHBondContact CA-O 3.44Å
514	T	98.7	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.4	170.7	-177.6	0	0	0	0	111.4	G548 Q550 G734 D812 I814 P839 V840	T514-G548 CarbonylContact C-O 3.54Å; T514-G548 VanDerWaalsContact CA-O 3.28Å; T514-G548 WeakPolarHBondContact CA-O 3.49Å; T514-Q550 PolarHBondContact OG1-NE2 2.92Å; T514-Q550 PolarHBondContact OG1-OE1 3.39Å; T514-G734 VanDerWaalsContact OG1-CA 3.26Å; T514-G734 WeakPolarHBondContact OG1-CA 3.49Å; T514-D812 HydrophobicContact CG2-CB 4.12Å; T514-I814 HydrophobicContact CG2-CG1 4.2Å; T514-P839 WeakPolarHBondContact O-CA 3.25Å; T514-V840 HydrophobicContact CG2-CB 3.87Å; T514-V840 HydrophobicContact CG2-CG1 4.42Å; T514-V840 PolarHBondContact N-O 2.85Å; T514-V840 PolarHBondContact O-N 2.95Å
515	W	97.4	Very high	86.8	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	119.3	170.5	-165.3	7.1	0	0	0	112.9	V517 M527 L529 W532 G548 F549 Q550 W573 F832 C834 H837 P839	W515-V517 HydrophobicContact CB-CG1 4.25Å; W515-V517 HydrophobicContact CD2-CG1 3.78Å; W515-V517 HydrophobicContact CE3-CG1 4.18Å; W515-V517 HydrophobicContact CG-CG1 3.82Å; W515-V517 PolarHBondContact O-N 3.49Å; W515-M527 HydrophobicContact CH2-CE 4.02Å; W515-M527 HydrophobicContact CH2-SD 3.9Å; W515-M527 HydrophobicContact CZ3-CE 4.26Å; W515-L529 HydrophobicContact CZ3-CD2 4.36Å; W515-W532 HydrophobicContact CB-CH2 4.25Å; W515-W532 HydrophobicContact CB-CZ2 4.21Å; W515-W532 HydrophobicContact CE3-CE3 4.41Å; W515-W532 HydrophobicContact CE3-CH2 4.31Å; W515-W532 HydrophobicContact CE3-CZ3 4.13Å; W515-G548 PolarHBondContact N-O 3.02Å; W515-F549 HydrophobicContact CB-CD1 4.28Å; W515-F549 VanDerWaalsContact O-CA 3.31Å; W515-F549 WeakPolarHBondContact O-CA 3.46Å; W515-Q550 PolarHBondContact O-N 2.85Å; W515-Q550 VanDerWaalsContact O-N 3.14Å; W515-Q550 PolarHBondContact O-OE1 3.41Å; W515-W573 AromaticContact CE3-CH2 3.83Å; W515-W573 HydrophobicContact CE3-CH2 3.83Å; W515-W573 AromaticContact CE3-CZ3 3.98Å; W515-W573 HydrophobicContact CE3-CZ3 3.98Å; W515-W573 AromaticContact CH2-CH2 3.87Å; W515-W573 HydrophobicContact CH2-CH2 3.87Å; W515-W573 HydrophobicContact CH2-CZ3 4.45Å; W515-W573 AromaticContact CZ3-CH2 3.41Å; W515-W573 HydrophobicContact CZ3-CH2 3.41Å; W515-W573 VanDerWaalsContact CZ3-CH2 3.41Å; W515-W573 AromaticContact CZ3-CZ3 3.61Å; W515-W573 HydrophobicContact CZ3-CZ3 3.61Å; W515-F832 HydrophobicContact CH2-CB 3.75Å; W515-F832 AromaticContact CH2-CD1 3.81Å; W515-F832 HydrophobicContact CH2-CD1 3.81Å; W515-F832 HydrophobicContact CH2-CG 4.01Å; W515-F832 HydrophobicContact CZ2-CB 3.77Å; W515-F832 HydrophobicContact CZ2-CG 4.49Å; W515-F832 HydrophobicContact CZ3-CD1 4.23Å; W515-C834 VanDerWaalsContact CH2-SG 3.58Å; W515-C834 WeakPolarHBondContact CZ2-SG 3.04Å; W515-H837 PolarHBondContact NE1-O 3.15Å; W515-P839 HydrophobicContact CB-CB 4.09Å; W515-P839 HydrophobicContact CD2-CB 3.81Å; W515-P839 HydrophobicContact CD2-CG 3.59Å; W515-P839 HydrophobicContact CE3-CB 4.09Å; W515-P839 HydrophobicContact CE3-CG 3.84Å; W515-P839 HydrophobicContact CG-CB 3.8Å; W515-P839 HydrophobicContact CG-CG 4.03Å; W515-P839 HydrophobicContact CH2-CG 4.17Å; W515-P839 HydrophobicContact CZ2-CG 3.95Å; W515-P839 HydrophobicContact CZ3-CG 4.11Å
516	N	97	Very high	85.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.9	163.5	-176.8	-22.4	0	0	0	109.1	N518 Q550 E551 D735 S835 H837	N516-N518 PolarHBondContact OD1-N 3.18Å; N516-Q550 WeakPolarHBondContact CA-O 3.46Å; N516-Q550 HydrophobicContact CB-CB 4.07Å; N516-Q550 PolarHBondContact OD1-O 2.88Å; N516-E551 WeakPolarHBondContact OD1-CB 3.31Å; N516-D735 HydrophobicContact CB-CB 4.39Å; N516-D735 PolarHBondContact ND2-OD2 3.22Å; N516-S835 WeakPolarHBondContact O-CB 3.09Å; N516-S835 PolarHBondContact O-OG 3.33Å; N516-H837 HydrophobicContact CB-CB 3.99Å; N516-H837 PolarHBondContact ND2-NE2 3.02Å
517	V	94.1	Very high	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.			trans	-105.4	5.7	-171.6	-58	0	0	0	0	114.2	W515 G519 R520 F549 Q550 M552 W573	W515-V517 HydrophobicContact CB-CG1 4.25Å; W515-V517 HydrophobicContact CD2-CG1 3.78Å; W515-V517 HydrophobicContact CE3-CG1 4.18Å; W515-V517 HydrophobicContact CG-CG1 3.82Å; W515-V517 PolarHBondContact O-N 3.49Å; V517-G519 VanDerWaalsContact C-N 3.33Å; V517-G519 PolarHBondContact O-N 3.13Å; V517-G519 VanDerWaalsContact O-N 3.17Å; V517-R520 VanDerWaalsContact O-CB 3.28Å; V517-R520 WeakPolarHBondContact O-CB 3.38Å; V517-R520 WeakPolarHBondContact O-CG 3.3Å; V517-R520 PolarHBondContact O-N 2.69Å; V517-F549 HydrophobicContact CG1-CD1 3.89Å; V517-F549 HydrophobicContact CG1-CE1 4.4Å; V517-Q550 PolarHBondContact N-O 3.2Å; V517-M552 HydrophobicContact CG2-CB 4.07Å; V517-M552 HydrophobicContact CG2-CG 4.13Å; V517-W573 HydrophobicContact CB-CZ2 3.93Å; V517-W573 HydrophobicContact CG1-CH2 3.92Å; V517-W573 HydrophobicContact CG1-CZ2 3.59Å; V517-W573 HydrophobicContact CG2-CZ2 4.36Å
518	N	90.9	Very high	84	Confident	31 Å²	31	41.9 Å²	41.9	17%	0.166	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	50.4	171.8	-168.5	-17.1	0	0	0	114.3	N516 R520 D836	N516-N518 PolarHBondContact OD1-N 3.18Å; N518-R520 WeakPolarHBondContact O-CD 3.21Å; N518-R520 WeakPolarHBondContact O-CG 3.31Å; N518-R520 PolarHBondContact O-N 2.66Å; N518-R520 PolarHBondContact O-NE 2.66Å; N518-D836 WeakPolarHBondContact CB-OD1 3.34Å; N518-D836 VanDerWaalsContact ND2-CG 3.26Å; N518-D836 PolarHBondContact ND2-OD1 2.98Å
519	G	84	Confident	83.7	Confident	33 Å²	33	41.9 Å²	41.9	34%	0.34	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	16	-179.8	0	0	0	0	0	115.3	V517 E551	V517-G519 VanDerWaalsContact C-N 3.33Å; V517-G519 PolarHBondContact O-N 3.13Å; V517-G519 VanDerWaalsContact O-N 3.17Å; G519-E551 WeakPolarHBondContact CA-O 3.38Å; G519-E551 PolarHBondContact N-O 2.85Å
520	R	80.9	Confident	83.4	Confident	122 Å²	122	42.6 Å²	42.6	46%	0.46	24%	0.24	S	C	.	.			trans	-100.7	145.5	-175.9	-49.2	-51	161.7	150.6	0.4	113.2	V517 N518 W573 M794 C834	V517-R520 VanDerWaalsContact O-CB 3.28Å; V517-R520 WeakPolarHBondContact O-CB 3.38Å; V517-R520 WeakPolarHBondContact O-CG 3.3Å; V517-R520 PolarHBondContact O-N 2.69Å; N518-R520 WeakPolarHBondContact O-CD 3.21Å; N518-R520 WeakPolarHBondContact O-CG 3.31Å; N518-R520 PolarHBondContact O-N 2.66Å; N518-R520 PolarHBondContact O-NE 2.66Å; R520-W573 WeakPolarHBondContact O-CZ2 3.42Å; R520-W573 PolarHBondContact O-NE1 3.31Å; R520-M794 HydrophobicContact CG-CE 4.11Å; R520-C834 WeakPolarHBondContact CG-O 3.46Å
521	S	69.2	Low	83	Confident	21 Å²	21	47.3 Å²	47.3	15%	0.147	27%	0.265	C	S	.	.			trans	-127.2	143.2	155.9	66.9	0	0	0	0	106	T523 R572	S521-T523 PolarHBondContact O-N 2.85Å; S521-R572 PolarHBondContact OG-NH1 3.25Å
522	D	64.6	Low	82.7	Confident	33 Å²	33	47.3 Å²	47.3	18%	0.176	27%	0.265	C	S	.	.			trans	-60	113	165.3	174	16.6	0	0	0	109.2	N524 G525 N526 M527	D522-N524 PolarHBondContact O-N 2.93Å; D522-N524 PolarHBondContact OD1-N 2.8Å; D522-G525 PolarHBondContact OD1-N 3.44Å; D522-G525 WeakPolarHBondContact OD2-CA 3.49Å; D522-G525 PolarHBondContact OD2-N 3.41Å; D522-G525 VanDerWaalsContact OD2-N 3.1Å; D522-N526 PolarHBondContact OD2-N 2.93Å; D522-M527 HydrophobicContact CB-CB 3.96Å; D522-M527 HydrophobicContact CB-CE 3.99Å; D522-M527 WeakPolarHBondContact OD2-CB 3.39Å; D522-M527 PolarHBondContact OD2-N 3.04Å
523	T	53.9	Low	82.5	Confident	118 Å²	118	47.3 Å²	47.3	72%	0.724	27%	0.265	S	S	*	.	S	Bend	trans	-74.9	-14.6	-179.5	51.3	0	0	0	0	113.1	S521	S521-T523 PolarHBondContact O-N 2.85Å
524	N	57.6	Low	82.2	Confident	116 Å²	116	50.7 Å²	50.7	62%	0.62	28%	0.282	S	S	*	.	S	Bend	trans	-108.4	-13.7	-169.5	-59.6	3.8	0	0	0	112.4	D522 N526	D522-N524 PolarHBondContact O-N 2.93Å; D522-N524 PolarHBondContact OD1-N 2.8Å; N524-N526 VanDerWaalsContact C-N 3.34Å; N524-N526 PolarHBondContact O-N 3.38Å
525	G	61	Low	81.8	Confident	55 Å²	55	51 Å²	51	57%	0.567	29%	0.285	S	S	*	.	S	Bend	trans	72.8	20.3	175.5	0	0	0	0	0	115.1	D522	D522-G525 PolarHBondContact OD1-N 3.44Å; D522-G525 WeakPolarHBondContact OD2-CA 3.49Å; D522-G525 PolarHBondContact OD2-N 3.41Å; D522-G525 VanDerWaalsContact OD2-N 3.1Å
526	N	66.6	Low	81.5	Confident	128 Å²	128	52 Å²	52	68%	0.684	29%	0.291	S	S	*	.			trans	-94.6	-15.1	-177.7	-70.1	-30.2	0	0	0	113.3	D522 N524 Q528	D522-N526 PolarHBondContact OD2-N 2.93Å; N524-N526 VanDerWaalsContact C-N 3.34Å; N524-N526 PolarHBondContact O-N 3.38Å; N526-Q528 PolarHBondContact O-N 2.95Å
527	M	77.8	Confident	81	Confident	34 Å²	34	59.9 Å²	59.9	17%	0.167	33%	0.333	C	S	.	.			trans	-76	90.6	-176.2	-172.8	167.5	68.6	0	0	112	W515 D522 L529 W573 F832 C834	W515-M527 HydrophobicContact CH2-CE 4.02Å; W515-M527 HydrophobicContact CH2-SD 3.9Å; W515-M527 HydrophobicContact CZ3-CE 4.26Å; D522-M527 HydrophobicContact CB-CB 3.96Å; D522-M527 HydrophobicContact CB-CE 3.99Å; D522-M527 WeakPolarHBondContact OD2-CB 3.39Å; D522-M527 PolarHBondContact OD2-N 3.04Å; M527-L529 HydrophobicContact CE-CD2 4.15Å; M527-L529 HydrophobicContact CG-CD2 4.14Å; M527-L529 PolarHBondContact O-N 3.32Å; M527-W573 HydrophobicContact CE-CH2 3.42Å; M527-W573 VanDerWaalsContact CE-CH2 3.42Å; M527-W573 HydrophobicContact CE-CZ2 4.26Å; M527-W573 HydrophobicContact CE-CZ3 3.77Å; M527-F832 HydrophobicContact CG-CD1 4.04Å; M527-F832 HydrophobicContact CG-CE1 4.04Å; M527-F832 HydrophobicContact SD-CD1 4.02Å; M527-C834 HydrophobicContact SD-CB 4.44Å
528	Q	81.3	Confident	80.6	Confident	155 Å²	155	63.8 Å²	63.8	72%	0.724	37%	0.374	S	S	*	.			trans	-69.2	116.8	174.9	-67.2	-178.4	-0.5	0	0	110.7	N526 D530	N526-Q528 PolarHBondContact O-N 2.95Å; Q528-D530 PolarHBondContact O-N 3.26Å
529	L	90.6	Very high	80.7	Confident	3 Å²	3	65 Å²	65	2%	0.016	38%	0.378	C	S	.	.			trans	-82.8	3	-178.6	-54.4	-177.8	0	0	0	113.3	W515 M527 N531 W532 L533 W573 Q576 L577 A580 F832	W515-L529 HydrophobicContact CZ3-CD2 4.36Å; M527-L529 HydrophobicContact CE-CD2 4.15Å; M527-L529 HydrophobicContact CG-CD2 4.14Å; M527-L529 PolarHBondContact O-N 3.32Å; L529-N531 PolarHBondContact O-N 3.47Å; L529-W532 WeakPolarHBondContact O-CB 3.49Å; L529-W532 PolarHBondContact O-N 2.77Å; L529-W532 VanDerWaalsContact O-N 3.09Å; L529-L533 HydrophobicContact CB-CD1 4.21Å; L529-L533 PolarHBondContact O-N 2.67Å; L529-W573 HydrophobicContact CD1-CE3 4.49Å; L529-W573 HydrophobicContact CD1-CZ3 4.41Å; L529-W573 HydrophobicContact CD2-CZ3 4.28Å; L529-Q576 HydrophobicContact CD1-CB 3.82Å; L529-Q576 HydrophobicContact CG-CB 4.45Å; L529-L577 HydrophobicContact CD1-CD2 3.91Å; L529-L577 HydrophobicContact CD1-CG 4.21Å; L529-A580 HydrophobicContact CB-CB 3.96Å; L529-F832 HydrophobicContact CD2-CE1 3.94Å
530	D	90.9	Very high	81.2	Confident	44 Å²	44	64.5 Å²	64.5	24%	0.235	37%	0.369	C	S	.	.	H	α-helix	trans	-54.1	-46.2	-175.5	-64.3	-96.1	0	0	0	113	Q528 W532 L533 I534 L581	Q528-D530 PolarHBondContact O-N 3.26Å; D530-W532 VanDerWaalsContact C-N 3.29Å; D530-W532 PolarHBondContact O-N 2.99Å; D530-L533 PolarHBondContact O-N 3.13Å; D530-I534 VanDerWaalsContact O-CB 3.27Å; D530-I534 WeakPolarHBondContact O-CB 3.07Å; D530-I534 PolarHBondContact O-N 2.8Å; D530-L581 WeakPolarHBondContact OD1-CA 3.47Å; D530-L581 PolarHBondContact OD1-N 3.48Å
531	N	90	Very high	81.8	Confident	98 Å²	98	58.7 Å²	58.7	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-33.4	179.1	-66	-2.7	0	0	0	113.3	L529 R827 E831 F832	L529-N531 PolarHBondContact O-N 3.47Å; N531-R827 PolarHBondContact O-NH2 3.02Å; N531-E831 WeakPolarHBondContact CB-OE1 3.24Å; N531-F832 HydrophobicContact CB-CE2 4.43Å; N531-F832 HydrophobicContact CB-CZ 4.5Å
532	W	93.5	Very high	83.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-57.5	172.8	-175.2	31.8	0	0	0	109.2	Y511 W515 L529 D530 I534 F547 F549 L577 R827 H829 F832 P839 V840	Y511-W532 PolarHBondContact OH-NE1 3.46Å; Y511-W532 PolarHBondContact OH-O 3.11Å; W515-W532 HydrophobicContact CB-CH2 4.25Å; W515-W532 HydrophobicContact CB-CZ2 4.21Å; W515-W532 HydrophobicContact CE3-CE3 4.41Å; W515-W532 HydrophobicContact CE3-CH2 4.31Å; W515-W532 HydrophobicContact CE3-CZ3 4.13Å; L529-W532 WeakPolarHBondContact O-CB 3.49Å; L529-W532 PolarHBondContact O-N 2.77Å; L529-W532 VanDerWaalsContact O-N 3.09Å; D530-W532 VanDerWaalsContact C-N 3.29Å; D530-W532 PolarHBondContact O-N 2.99Å; W532-I534 PolarHBondContact O-N 3.27Å; W532-F547 HydrophobicContact CH2-CD1 4.06Å; W532-F547 HydrophobicContact CZ2-CD1 4.36Å; W532-F547 HydrophobicContact CZ3-CD1 4.31Å; W532-F549 AromaticContact CH2-CE1 3.71Å; W532-F549 HydrophobicContact CH2-CE1 3.71Å; W532-F549 AromaticContact CH2-CZ 3.8Å; W532-F549 HydrophobicContact CH2-CZ 3.8Å; W532-F549 AromaticContact CZ3-CE1 3.94Å; W532-F549 HydrophobicContact CZ3-CE1 3.94Å; W532-F549 AromaticContact CZ3-CZ 3.9Å; W532-F549 HydrophobicContact CZ3-CZ 3.9Å; W532-L577 HydrophobicContact CE3-CD2 4.45Å; W532-L577 HydrophobicContact CZ3-CD2 4.02Å; W532-R827 PolarHBondContact O-NH2 2.98Å; W532-R827 VanDerWaalsContact O-NH2 3.15Å; W532-H829 AromaticContact CD1-CD2 3.64Å; W532-H829 AromaticContact CD1-CE1 3.61Å; W532-H829 AromaticContact CD1-CG 3.92Å; W532-H829 AromaticContact CD1-ND1 3.94Å; W532-H829 AromaticContact CD1-NE2 3.47Å; W532-H829 PolarHBondContact O-CE1 2.62Å; W532-F832 HydrophobicContact CB-CE2 3.85Å; W532-F832 HydrophobicContact CB-CZ 3.96Å; W532-P839 HydrophobicContact CD2-CB 4.27Å; W532-P839 HydrophobicContact CG-CB 4.34Å; W532-P839 HydrophobicContact CZ2-CB 4.3Å; W532-V840 PolarHBondContact NE1-O 2.86Å
533	L	93.8	Very high	84.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-76.8	-19.2	-169	-89.2	60.1	0	0	0	115	L529 D530 S535 F547 L577 A580 L581 L585	L529-L533 HydrophobicContact CB-CD1 4.21Å; L529-L533 PolarHBondContact O-N 2.67Å; D530-L533 PolarHBondContact O-N 3.13Å; L533-S535 PolarHBondContact O-N 3.24Å; L533-F547 HydrophobicContact CD1-CD1 4.42Å; L533-F547 HydrophobicContact CD1-CE1 3.55Å; L533-F547 HydrophobicContact CD1-CZ 4.06Å; L533-F547 HydrophobicContact CD2-CE1 4.13Å; L533-F547 HydrophobicContact CD2-CZ 3.75Å; L533-F547 HydrophobicContact CG-CE1 3.62Å; L533-F547 HydrophobicContact CG-CZ 3.64Å; L533-L577 HydrophobicContact CD1-CD2 3.89Å; L533-L577 HydrophobicContact CD2-CD2 3.88Å; L533-L577 HydrophobicContact CG-CD2 4.43Å; L533-A580 HydrophobicContact CD2-CB 3.84Å; L533-L581 HydrophobicContact CB-CD1 3.99Å; L533-L581 HydrophobicContact CB-CD2 4.09Å; L533-L581 HydrophobicContact CB-CG 3.93Å; L533-L585 HydrophobicContact CD2-CD1 3.8Å
534	I	91.5	Very high	86.8	Confident	71 Å²	71	50.9 Å²	50.9	36%	0.364	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63	139.3	-174.2	-160.7	166.7	0	0	0	111.3	D530 W532 L581 Y604 R827	D530-I534 VanDerWaalsContact O-CB 3.27Å; D530-I534 WeakPolarHBondContact O-CB 3.07Å; D530-I534 PolarHBondContact O-N 2.8Å; W532-I534 PolarHBondContact O-N 3.27Å; I534-L581 HydrophobicContact CB-CD2 4.23Å; I534-Y604 HydrophobicContact CD1-CD2 4.32Å; I534-Y604 HydrophobicContact CD1-CE2 4.07Å; I534-Y604 HydrophobicContact CG1-CD2 4.35Å; I534-Y604 HydrophobicContact CG1-CE2 3.7Å; I534-R827 PolarHBondContact O-NH2 2.98Å
535	S	91.9	Very high	88.8	Confident	8 Å²	8	45.3 Å²	45.3	6%	0.056	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75.5	152.5	176.4	-57.9	0	0	0	0	110.3	L533 P540 P541 Y545 Y604 Y843	L533-S535 PolarHBondContact O-N 3.24Å; S535-P540 VanDerWaalsContact CB-O 3.29Å; S535-P540 WeakPolarHBondContact CB-O 3.46Å; S535-P540 PolarHBondContact OG-O 2.83Å; S535-P541 WeakPolarHBondContact OG-CA 3.38Å; S535-Y545 PolarHBondContact OG-OH 3.05Å; S535-Y604 WeakPolarHBondContact CB-OH 3.42Å; S535-Y604 PolarHBondContact N-OH 3.48Å; S535-Y604 PolarHBondContact OG-OH 3.06Å; S535-Y843 WeakPolarHBondContact OG-CE2 2.94Å
536	P	90.6	Very high	90.6	Very high	20 Å²	20	42.7 Å²	42.7	13%	0.13	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60.2	156.9	-177.8	-23.9	35.2	0	0	0	112.9	G538 Q539 I825 Y843	P536-G538 PolarHBondContact O-N 2.83Å; P536-Q539 HydrophobicContact CB-CG 3.94Å; P536-Q539 HydrophobicContact CG-CG 4.27Å; P536-Q539 VanDerWaalsContact O-CB 3.31Å; P536-Q539 WeakPolarHBondContact O-CB 3.32Å; P536-Q539 PolarHBondContact O-N 2.86Å; P536-I825 HydrophobicContact CB-CD1 4.23Å; P536-I825 HydrophobicContact CG-CB 4.01Å; P536-I825 HydrophobicContact CG-CD1 4.1Å; P536-I825 HydrophobicContact CG-CG2 3.73Å; P536-Y843 HydrophobicContact CG-CG 4.33Å
537	D	86.2	Confident	92.1	Very high	168 Å²	168	36.6 Å²	36.6	90%	0.898	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	130.7	178.1	-65.9	-48.5	0	0	0	111.9	Q539	D537-Q539 VanDerWaalsContact C-N 3.27Å; D537-Q539 PolarHBondContact O-N 2.85Å
538	G	86.6	Confident	93	Very high	82 Å²	82	35 Å²	35	85%	0.845	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	-0.3	-175.6	0	0	0	0	0	115.9	P536	P536-G538 PolarHBondContact O-N 2.83Å
539	Q	92.8	Very high	93.7	Very high	57 Å²	57	27.7 Å²	27.7	27%	0.266	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-98.5	147.7	174.3	-55.6	-54.4	-58.9	0	0	112.1	P536 D537 I824 Y843	P536-Q539 HydrophobicContact CB-CG 3.94Å; P536-Q539 HydrophobicContact CG-CG 4.27Å; P536-Q539 VanDerWaalsContact O-CB 3.31Å; P536-Q539 WeakPolarHBondContact O-CB 3.32Å; P536-Q539 PolarHBondContact O-N 2.86Å; D537-Q539 VanDerWaalsContact C-N 3.27Å; D537-Q539 PolarHBondContact O-N 2.85Å; Q539-I824 HydrophobicContact CG-CG2 4.38Å; Q539-Y843 HydrophobicContact CB-CE1 4.19Å; Q539-Y843 HydrophobicContact CG-CE1 4.31Å
540	P	93.5	Very high	94	Very high	22 Å²	22	27.6 Å²	27.6	14%	0.143	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-74.1	168	170.3	33.7	-36	0	0	0	111.4	S535 A542 W608 Y843	S535-P540 VanDerWaalsContact CB-O 3.29Å; S535-P540 WeakPolarHBondContact CB-O 3.46Å; S535-P540 PolarHBondContact OG-O 2.83Å; P540-A542 PolarHBondContact O-N 2.95Å; P540-W608 HydrophobicContact CB-CE3 4.4Å; P540-W608 HydrophobicContact CB-CH2 4.08Å; P540-W608 HydrophobicContact CB-CZ3 3.86Å; P540-Y843 WeakPolarHBondContact O-CE2 3.48Å; P540-Y843 PolarHBondContact O-OH 2.75Å
541	P	94.2	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-54.3	138.8	164.1	-23.6	34.2	0	0	0	111.1	S535 D543 Y545 L584 Y604 W608 T612 Y616	S535-P541 WeakPolarHBondContact OG-CA 3.38Å; P541-D543 PolarHBondContact O-N 3.3Å; P541-Y545 HydrophobicContact CB-CE2 4.45Å; P541-L584 HydrophobicContact CB-CD2 4.18Å; P541-L584 HydrophobicContact CG-CD2 4.02Å; P541-Y604 HydrophobicContact CB-CE1 4.3Å; P541-Y604 HydrophobicContact CG-CE1 3.66Å; P541-W608 VanDerWaalsContact CD-CG 3.49Å; P541-W608 HydrophobicContact CG-CB 3.56Å; P541-W608 HydrophobicContact CG-CD2 3.81Å; P541-W608 HydrophobicContact CG-CE3 4.43Å; P541-W608 HydrophobicContact CG-CG 3.39Å; P541-T612 HydrophobicContact CB-CG2 4.35Å; P541-Y616 WeakPolarHBondContact CB-OH 3.34Å
542	A	97.1	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-62.4	132.5	178.6	0	0	0	0	0	112	H509 P540 I544 Y545 Y616 Y843	H509-A542 HydrophobicContact CB-CB 4.22Å; H509-A542 CarbonylContact O-C 3.56Å; P540-A542 PolarHBondContact O-N 2.95Å; A542-I544 WeakPolarHBondContact CB-O 3.27Å; A542-I544 PolarHBondContact O-N 3.27Å; A542-I544 VanDerWaalsContact O-N 3.09Å; A542-Y545 HydrophobicContact CB-CD2 4.19Å; A542-Y545 HydrophobicContact CB-CE2 3.88Å; A542-Y545 PolarHBondContact N-OH 3.21Å; A542-Y545 WeakPolarHBondContact O-CD2 3.31Å; A542-Y545 WeakPolarHBondContact O-CE2 3.22Å; A542-Y616 VanDerWaalsContact O-CE1 3.29Å; A542-Y616 WeakPolarHBondContact O-CE1 3.41Å; A542-Y616 PolarHBondContact O-OH 2.98Å; A542-Y843 HydrophobicContact CB-CD2 4.31Å; A542-Y843 HydrophobicContact CB-CE2 3.86Å
543	D	97.5	Very high	93.2	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.032	15%	0.15	C	C	.	.	S	Bend	trans	-57.5	-25	176	-63.7	-97.3	0	0	0	113	I508 H509 P541 S634 R636 L637	I508-D543 WeakPolarHBondContact CA-OD2 3.38Å; I508-D543 HydrophobicContact CB-CB 4.08Å; H509-D543 PolarHBondContact N-OD2 3.4Å; H509-D543 IonicContact ND1-OD2 2.74Å; H509-D543 PolarHBondContact O-N 3.36Å; P541-D543 PolarHBondContact O-N 3.3Å; D543-S634 PolarHBondContact O-N 2.92Å; D543-S634 PolarHBondContact O-OG 3.18Å; D543-R636 IonicContact OD1-CZ 2.7Å; D543-R636 IonicContact OD1-NH1 3.01Å; D543-R636 PolarHBondContact OD1-NH1 3.22Å; D543-R636 IonicContact OD1-NH2 2.77Å; D543-R636 PolarHBondContact OD1-NH2 3.3Å; D543-L637 HydrophobicContact CB-CD2 3.71Å
544	I	98.2	Very high	92.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.6	174	-52.9	176.3	0	0	0	109	I508 H509 I510 Y511 A542 V546 V631 Y632 I633 L637 I671 L676 F678	I508-I544 HydrophobicContact CD1-CD1 3.69Å; I508-I544 HydrophobicContact CD1-CG1 4.18Å; H509-I544 PolarHBondContact O-N 3.22Å; H509-I544 VanDerWaalsContact O-N 3.13Å; I510-I544 WeakPolarHBondContact CA-O 3.49Å; I510-I544 HydrophobicContact CD1-CD1 4.06Å; I510-I544 HydrophobicContact CG1-CB 4.25Å; I510-I544 HydrophobicContact CG1-CD1 4.23Å; I510-I544 HydrophobicContact CG2-CB 4.3Å; I510-I544 HydrophobicContact CG2-CG2 4.48Å; Y511-I544 PolarHBondContact N-O 3.26Å; A542-I544 WeakPolarHBondContact CB-O 3.27Å; A542-I544 PolarHBondContact O-N 3.27Å; A542-I544 VanDerWaalsContact O-N 3.09Å; I544-V546 HydrophobicContact CG2-CG2 3.93Å; I544-V631 HydrophobicContact CG2-CG1 4.1Å; I544-Y632 CarbonylContact C-O 3.58Å; I544-Y632 VanDerWaalsContact CA-O 3.31Å; I544-Y632 WeakPolarHBondContact CA-O 3.27Å; I544-Y632 WeakPolarHBondContact CG2-O 3.32Å; I544-I633 HydrophobicContact CG1-CG1 4.27Å; I544-L637 HydrophobicContact CD1-CD2 4.38Å; I544-L637 HydrophobicContact CG1-CD2 4.13Å; I544-I671 HydrophobicContact CD1-CD1 3.55Å; I544-I671 HydrophobicContact CG1-CD1 4.49Å; I544-L676 HydrophobicContact CD1-CD1 3.79Å; I544-F678 HydrophobicContact CG2-CZ 4.48Å
545	Y	98.4	Very high	91.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.9	167.1	-76.3	-101.5	0	0	0	109.9	Y511 S535 P541 A542 F547 L581 L585 Y616 Y632	Y511-Y545 AromaticContact CD1-CD1 3.51Å; Y511-Y545 HydrophobicContact CD1-CD1 3.51Å; Y511-Y545 HydrophobicContact CD1-CE1 4.04Å; Y511-Y545 HydrophobicContact CD1-CG 4.46Å; Y511-Y545 HydrophobicContact CD2-CD1 4.24Å; Y511-Y545 AromaticContact CD2-CE1 3.93Å; Y511-Y545 HydrophobicContact CD2-CE1 3.93Å; Y511-Y545 HydrophobicContact CE1-CD1 4.27Å; Y511-Y545 AromaticContact CG-CD1 3.5Å; Y511-Y545 HydrophobicContact CG-CD1 3.5Å; Y511-Y545 AromaticContact CG-CE1 3.63Å; Y511-Y545 HydrophobicContact CG-CE1 3.63Å; Y511-Y545 HydrophobicContact CG-CG 4.47Å; S535-Y545 PolarHBondContact OG-OH 3.05Å; P541-Y545 HydrophobicContact CB-CE2 4.45Å; A542-Y545 HydrophobicContact CB-CD2 4.19Å; A542-Y545 HydrophobicContact CB-CE2 3.88Å; A542-Y545 PolarHBondContact N-OH 3.21Å; A542-Y545 WeakPolarHBondContact O-CD2 3.31Å; A542-Y545 WeakPolarHBondContact O-CE2 3.22Å; Y545-F547 HydrophobicContact CD1-CE1 4.32Å; Y545-F547 HydrophobicContact CD1-CE2 4.34Å; Y545-F547 AromaticContact CD1-CZ 3.62Å; Y545-F547 HydrophobicContact CD1-CZ 3.62Å; Y545-F547 HydrophobicContact CG-CE2 4.38Å; Y545-F547 HydrophobicContact CG-CZ 4.1Å; Y545-L581 HydrophobicContact CE1-CD1 4.48Å; Y545-L585 HydrophobicContact CD2-CD2 3.82Å; Y545-L585 HydrophobicContact CE2-CD2 4.25Å; Y545-L585 HydrophobicContact CG-CD2 4.11Å; Y545-Y616 HydrophobicContact CD2-CD1 4.34Å; Y545-Y616 AromaticContact CD2-CE1 3.7Å; Y545-Y616 HydrophobicContact CD2-CE1 3.7Å; Y545-Y616 AromaticContact CE2-CE1 3.96Å; Y545-Y616 HydrophobicContact CE2-CE1 3.96Å; Y545-Y616 AromaticContact CE2-CZ 3.86Å; Y545-Y632 PolarHBondContact N-O 3.09Å; Y545-Y632 PolarHBondContact O-N 3.42Å
546	V	98.6	Very high	90.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.8	177.8	-176.2	0	0	0	0	108.9	Y511 V512 G513 I544 M629 V631 F678 F733	Y511-V546 PolarHBondContact O-N 3Å; V512-V546 WeakPolarHBondContact CA-O 3.39Å; G513-V546 PolarHBondContact N-O 3.21Å; I544-V546 HydrophobicContact CG2-CG2 3.93Å; V546-M629 HydrophobicContact CG1-CG 4.06Å; V546-M629 HydrophobicContact CG1-SD 3.89Å; V546-V631 HydrophobicContact CG1-CG2 4.16Å; V546-V631 HydrophobicContact CG2-CG1 4.31Å; V546-V631 HydrophobicContact CG2-CG2 4.16Å; V546-F678 HydrophobicContact CB-CD1 4.35Å; V546-F678 HydrophobicContact CG1-CB 4.3Å; V546-F678 HydrophobicContact CG1-CD1 4.14Å; V546-F678 HydrophobicContact CG1-CG 4.28Å; V546-F678 HydrophobicContact CG2-CD1 3.74Å; V546-F678 HydrophobicContact CG2-CD2 4.42Å; V546-F678 HydrophobicContact CG2-CE1 3.65Å; V546-F678 HydrophobicContact CG2-CE2 4.35Å; V546-F678 HydrophobicContact CG2-CG 4.13Å; V546-F678 HydrophobicContact CG2-CZ 3.97Å; V546-F733 HydrophobicContact CG1-CE1 4.14Å; V546-F733 HydrophobicContact CG1-CE2 4.25Å; V546-F733 HydrophobicContact CG1-CZ 3.51Å
547	F	98.2	Very high	88.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.4	178.6	-55.7	-75.6	0	0	0	109.8	Y511 W532 L533 Y545 F549 L577 L585 M629 V630 Y632	Y511-F547 HydrophobicContact CD1-CE1 4.05Å; Y511-F547 HydrophobicContact CD1-CZ 4.49Å; Y511-F547 HydrophobicContact CE1-CD1 4.16Å; Y511-F547 AromaticContact CE1-CE1 3.56Å; Y511-F547 HydrophobicContact CE1-CE1 3.56Å; Y511-F547 HydrophobicContact CE1-CZ 4.37Å; W532-F547 HydrophobicContact CH2-CD1 4.06Å; W532-F547 HydrophobicContact CZ2-CD1 4.36Å; W532-F547 HydrophobicContact CZ3-CD1 4.31Å; L533-F547 HydrophobicContact CD1-CD1 4.42Å; L533-F547 HydrophobicContact CD1-CE1 3.55Å; L533-F547 HydrophobicContact CD1-CZ 4.06Å; L533-F547 HydrophobicContact CD2-CE1 4.13Å; L533-F547 HydrophobicContact CD2-CZ 3.75Å; L533-F547 HydrophobicContact CG-CE1 3.62Å; L533-F547 HydrophobicContact CG-CZ 3.64Å; Y545-F547 HydrophobicContact CD1-CE1 4.32Å; Y545-F547 HydrophobicContact CD1-CE2 4.34Å; Y545-F547 AromaticContact CD1-CZ 3.62Å; Y545-F547 HydrophobicContact CD1-CZ 3.62Å; Y545-F547 HydrophobicContact CG-CE2 4.38Å; Y545-F547 HydrophobicContact CG-CZ 4.1Å; F547-F549 HydrophobicContact CB-CE2 3.93Å; F547-F549 HydrophobicContact CB-CZ 4.47Å; F547-L577 HydrophobicContact CB-CD1 4.04Å; F547-L577 HydrophobicContact CD1-CD2 3.83Å; F547-L577 HydrophobicContact CD2-CD1 3.76Å; F547-L577 HydrophobicContact CD2-CD2 4.04Å; F547-L577 HydrophobicContact CD2-CG 4.46Å; F547-L577 HydrophobicContact CE1-CD2 3.83Å; F547-L577 HydrophobicContact CE2-CD1 4.36Å; F547-L577 HydrophobicContact CE2-CD2 4.03Å; F547-L577 HydrophobicContact CG-CD1 3.86Å; F547-L577 HydrophobicContact CG-CD2 3.93Å; F547-L577 HydrophobicContact CZ-CD2 3.93Å; F547-L585 HydrophobicContact CE2-CD1 3.72Å; F547-L585 HydrophobicContact CZ-CD1 3.89Å; F547-M629 VanDerWaalsContact O-CA 3.28Å; F547-M629 WeakPolarHBondContact O-CA 3.36Å; F547-V630 PolarHBondContact N-O 3.5Å; F547-V630 PolarHBondContact O-N 3.48Å; F547-Y632 HydrophobicContact CD2-CD2 4.04Å; F547-Y632 HydrophobicContact CD2-CE2 4.1Å; F547-Y632 AromaticContact CE2-CD2 3.97Å; F547-Y632 HydrophobicContact CE2-CD2 3.97Å; F547-Y632 HydrophobicContact CE2-CE2 4.24Å
548	G	97.8	Very high	87.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134	173.7	0	0	0	0	0	110.3	G513 T514 W515 I628 N680	G513-G548 PolarHBondContact O-N 3.2Å; T514-G548 CarbonylContact C-O 3.54Å; T514-G548 VanDerWaalsContact CA-O 3.28Å; T514-G548 WeakPolarHBondContact CA-O 3.49Å; W515-G548 PolarHBondContact N-O 3.02Å; G548-I628 CarbonylContact C-O 3.6Å; G548-I628 WeakPolarHBondContact CA-O 3.39Å; G548-N680 WeakPolarHBondContact CA-ND2 3.47Å
549	F	96.4	Very high	86.5	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152	175.8	-62.6	-86.7	0	0	0	110.6	W515 V517 W532 F547 M552 W573 L577 I627 I628 N680	W515-F549 HydrophobicContact CB-CD1 4.28Å; W515-F549 VanDerWaalsContact O-CA 3.31Å; W515-F549 WeakPolarHBondContact O-CA 3.46Å; V517-F549 HydrophobicContact CG1-CD1 3.89Å; V517-F549 HydrophobicContact CG1-CE1 4.4Å; W532-F549 AromaticContact CH2-CE1 3.71Å; W532-F549 HydrophobicContact CH2-CE1 3.71Å; W532-F549 AromaticContact CH2-CZ 3.8Å; W532-F549 HydrophobicContact CH2-CZ 3.8Å; W532-F549 AromaticContact CZ3-CE1 3.94Å; W532-F549 HydrophobicContact CZ3-CE1 3.94Å; W532-F549 AromaticContact CZ3-CZ 3.9Å; W532-F549 HydrophobicContact CZ3-CZ 3.9Å; F547-F549 HydrophobicContact CB-CE2 3.93Å; F547-F549 HydrophobicContact CB-CZ 4.47Å; F549-M552 HydrophobicContact CB-CE 3.46Å; F549-M552 VanDerWaalsContact CB-CE 3.46Å; F549-M552 HydrophobicContact CD1-CE 3.93Å; F549-M552 HydrophobicContact CD2-CE 3.43Å; F549-M552 VanDerWaalsContact CD2-CE 3.43Å; F549-M552 HydrophobicContact CE1-CE 4.49Å; F549-M552 HydrophobicContact CE2-CE 4.07Å; F549-M552 HydrophobicContact CG-CE 3.33Å; F549-W573 HydrophobicContact CE1-CD2 4.13Å; F549-W573 AromaticContact CE1-CE3 3.78Å; F549-W573 HydrophobicContact CE1-CE3 3.78Å; F549-W573 HydrophobicContact CE1-CZ3 4.07Å; F549-W573 HydrophobicContact CZ-CD2 4.44Å; F549-W573 HydrophobicContact CZ-CE3 4.02Å; F549-L577 HydrophobicContact CE2-CD1 3.92Å; F549-L577 HydrophobicContact CZ-CD1 3.99Å; F549-I627 WeakPolarHBondContact O-CA 3.42Å; F549-I628 HydrophobicContact CB-CB 4.47Å; F549-I628 PolarHBondContact N-O 3.09Å; F549-I628 PolarHBondContact O-N 3Å; F549-N680 PolarHBondContact N-ND2 3.34Å; F549-N680 PolarHBondContact O-ND2 2.94Å
550	Q	95.7	Very high	84.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153	172.8	-50.7	79.2	28.3	0	0	110	T514 W515 N516 V517 M552 G626 N680 H682 G734 D735	T514-Q550 PolarHBondContact OG1-NE2 2.92Å; T514-Q550 PolarHBondContact OG1-OE1 3.39Å; W515-Q550 PolarHBondContact O-N 2.85Å; W515-Q550 VanDerWaalsContact O-N 3.14Å; W515-Q550 PolarHBondContact O-OE1 3.41Å; N516-Q550 WeakPolarHBondContact CA-O 3.46Å; N516-Q550 HydrophobicContact CB-CB 4.07Å; N516-Q550 PolarHBondContact OD1-O 2.88Å; V517-Q550 PolarHBondContact N-O 3.2Å; Q550-M552 PolarHBondContact O-N 2.9Å; Q550-M552 VanDerWaalsContact O-N 3.15Å; Q550-G626 CarbonylContact C-O 3.46Å; Q550-N680 PolarHBondContact NE2-OD1 2.7Å; Q550-H682 HydrophobicContact CB-CB 4.36Å; Q550-H682 HydrophobicContact CG-CB 3.93Å; Q550-G734 VanDerWaalsContact NE2-CA 3.3Å; Q550-D735 HydrophobicContact CB-CB 4.33Å; Q550-D735 HydrophobicContact CG-CB 3.92Å
551	E	91.5	Very high	83.1	Confident	42 Å²	42	30.6 Å²	30.6	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	53.1	28.8	-177.1	-53.3	-157.9	166.9	0	0	115	N516 G519 D553 L554 G626 K662 H682	N516-E551 WeakPolarHBondContact OD1-CB 3.31Å; G519-E551 WeakPolarHBondContact CA-O 3.38Å; G519-E551 PolarHBondContact N-O 2.85Å; E551-D553 PolarHBondContact O-N 3.18Å; E551-L554 HydrophobicContact CB-CD1 4.46Å; E551-L554 HydrophobicContact CB-CD2 3.85Å; E551-L554 HydrophobicContact CB-CG 4.15Å; E551-L554 HydrophobicContact CG-CD2 4.07Å; E551-G626 PolarHBondContact N-O 3.06Å; E551-G626 VanDerWaalsContact N-O 3.17Å; E551-K662 IonicContact OE1-NZ 3.24Å; E551-K662 PolarHBondContact OE1-NZ 2.98Å; E551-H682 WeakPolarHBondContact CG-CE1 3.14Å; E551-H682 IonicContact OE1-CE1 3.22Å; E551-H682 PolarHBondContact OE1-CE1 2.83Å; E551-H682 VanDerWaalsContact OE1-CE1 3.23Å; E551-H682 IonicContact OE1-NE2 3.67Å
552	M	87.6	Confident	81.5	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.02	18%	0.181	C	C	.	.	S	Bend	trans	-62.1	-30	-175.9	-166.1	-176.7	-69.8	0	0	114.1	V517 F549 Q550 P569 E570 W573 G626 I628	V517-M552 HydrophobicContact CG2-CB 4.07Å; V517-M552 HydrophobicContact CG2-CG 4.13Å; F549-M552 HydrophobicContact CB-CE 3.46Å; F549-M552 VanDerWaalsContact CB-CE 3.46Å; F549-M552 HydrophobicContact CD1-CE 3.93Å; F549-M552 HydrophobicContact CD2-CE 3.43Å; F549-M552 VanDerWaalsContact CD2-CE 3.43Å; F549-M552 HydrophobicContact CE1-CE 4.49Å; F549-M552 HydrophobicContact CE2-CE 4.07Å; F549-M552 HydrophobicContact CG-CE 3.33Å; Q550-M552 PolarHBondContact O-N 2.9Å; Q550-M552 VanDerWaalsContact O-N 3.15Å; M552-P569 HydrophobicContact CG-CB 4.26Å; M552-E570 VanDerWaalsContact SD-CA 3.5Å; M552-E570 HydrophobicContact SD-CB 4.15Å; M552-W573 HydrophobicContact CE-CB 3.89Å; M552-W573 HydrophobicContact CE-CG 3.83Å; M552-W573 HydrophobicContact SD-CB 4.16Å; M552-W573 HydrophobicContact SD-CG 4.03Å; M552-G626 PolarHBondContact N-O 3.48Å; M552-I628 HydrophobicContact CB-CD1 3.91Å; M552-I628 HydrophobicContact CE-CB 4.27Å; M552-I628 HydrophobicContact CE-CD1 3.78Å; M552-I628 HydrophobicContact CE-CG2 4.34Å; M552-I628 HydrophobicContact CG-CD1 4.17Å; M552-I628 HydrophobicContact SD-CD1 3.32Å; M552-I628 WeakPolarHBondContact SD-CD1 3.02Å
553	D	79.5	Confident	79.6	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.193	21%	0.214	C	C	.	.			trans	-137.4	117.6	170.6	-168	-41.5	0	0	0	108.6	E551 S555 V558	E551-D553 PolarHBondContact O-N 3.18Å; D553-S555 WeakPolarHBondContact OD1-CB 3.44Å; D553-S555 PolarHBondContact OD1-N 2.88Å; D553-S555 PolarHBondContact OD1-OG 2.97Å; D553-V558 HydrophobicContact CB-CB 4.32Å; D553-V558 HydrophobicContact CB-CG1 4.14Å; D553-V558 HydrophobicContact CB-CG2 4.26Å
554	L	74.3	Confident	77.8	Confident	77 Å²	77	44 Å²	44	40%	0.403	23%	0.229	S	C	.	.			trans	-97.1	8.4	-179.3	-73.2	175.9	0	0	0	112.7	E551 I559	E551-L554 HydrophobicContact CB-CD1 4.46Å; E551-L554 HydrophobicContact CB-CD2 3.85Å; E551-L554 HydrophobicContact CB-CG 4.15Å; E551-L554 HydrophobicContact CG-CD2 4.07Å; L554-I559 WeakPolarHBondContact O-CD1 3.43Å
555	S	72.7	Confident	75.6	Confident	40 Å²	40	47.4 Å²	47.4	28%	0.28	25%	0.253	S	S	.	.			trans	-67	138.7	177.6	68.6	0	0	0	0	111.6	D553 S557 V558 I559	D553-S555 WeakPolarHBondContact OD1-CB 3.44Å; D553-S555 PolarHBondContact OD1-N 2.88Å; D553-S555 PolarHBondContact OD1-OG 2.97Å; S555-S557 PolarHBondContact O-N 2.93Å; S555-S557 VanDerWaalsContact O-N 3.13Å; S555-S557 PolarHBondContact OG-OG 2.99Å; S555-S557 VanDerWaalsContact OG-OG 3.12Å; S555-V558 PolarHBondContact O-N 2.94Å; S555-V558 WeakPolarHBondContact OG-CG2 3.32Å; S555-I559 PolarHBondContact O-N 2.84Å
556	F	64.6	Low	73.5	Confident	166 Å²	166	52.6 Å²	52.6	73%	0.728	29%	0.29	S	S	*	.	H	α-helix	trans	-55.6	-33.4	179.8	-177.2	-99	0	0	0	112.8	T560	F556-T560 WeakPolarHBondContact CE2-OG1 3.14Å; F556-T560 HydrophobicContact CZ-CG2 4.34Å; F556-T560 WeakPolarHBondContact CZ-OG1 3.3Å; F556-T560 WeakPolarHBondContact O-CB 3.45Å; F556-T560 PolarHBondContact O-N 3.46Å; F556-T560 PolarHBondContact O-OG1 3Å
557	S	62.4	Low	71.5	Confident	62 Å²	62	57.6 Å²	57.6	43%	0.434	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-45.3	173.4	32.1	0	0	0	0	113.6	S555 L561	S555-S557 PolarHBondContact O-N 2.93Å; S555-S557 VanDerWaalsContact O-N 3.13Å; S555-S557 PolarHBondContact OG-OG 2.99Å; S555-S557 VanDerWaalsContact OG-OG 3.12Å; S557-L561 WeakPolarHBondContact O-CB 3.26Å; S557-L561 PolarHBondContact O-N 3.24Å
558	V	64.7	Low	70.3	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-74.9	-41.5	-179.4	174.1	0	0	0	0	110.6	D553 S555 T560 N562 K563 T564 A625	D553-V558 HydrophobicContact CB-CB 4.32Å; D553-V558 HydrophobicContact CB-CG1 4.14Å; D553-V558 HydrophobicContact CB-CG2 4.26Å; S555-V558 PolarHBondContact O-N 2.94Å; S555-V558 WeakPolarHBondContact OG-CG2 3.32Å; V558-T560 PolarHBondContact O-N 3.45Å; V558-N562 WeakPolarHBondContact O-CA 3.43Å; V558-N562 PolarHBondContact O-N 2.69Å; V558-N562 VanDerWaalsContact O-N 3.13Å; V558-K563 WeakPolarHBondContact CG2-O 2.89Å; V558-T564 HydrophobicContact CG1-CG2 4.08Å; V558-T564 HydrophobicContact CG2-CG2 3.57Å; V558-A625 HydrophobicContact CG1-CB 4.44Å; V558-A625 WeakPolarHBondContact CG1-O 3.42Å
559	I	60.4	Low	69.4	Low	41 Å²	41	59.5 Å²	59.5	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.3	-73.8	168.7	0	0	0	112.2	L554 S555 N661	L554-I559 WeakPolarHBondContact O-CD1 3.43Å; S555-I559 PolarHBondContact O-N 2.84Å; I559-N661 HydrophobicContact CG2-CB 4.03Å
560	T	55.6	Low	68.8	Low	50 Å²	50	60.6 Å²	60.6	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-94.1	-34.8	-169.4	-48.2	0	0	0	0	113.3	F556 V558 M659	F556-T560 WeakPolarHBondContact CE2-OG1 3.14Å; F556-T560 HydrophobicContact CZ-CG2 4.34Å; F556-T560 WeakPolarHBondContact CZ-OG1 3.3Å; F556-T560 WeakPolarHBondContact O-CB 3.45Å; F556-T560 PolarHBondContact O-N 3.46Å; F556-T560 PolarHBondContact O-OG1 3Å; V558-T560 PolarHBondContact O-N 3.45Å; T560-M659 HydrophobicContact CG2-CE 4.33Å
561	L	59.7	Low	68.3	Low	113 Å²	113	63.8 Å²	63.8	59%	0.592	36%	0.355	S	S	*	.	H	α-helix	trans	-116.4	-3.5	-171.6	-58.2	175.8	0	0	0	114.1	S557 K563	S557-L561 WeakPolarHBondContact O-CB 3.26Å; S557-L561 PolarHBondContact O-N 3.24Å; L561-K563 HydrophobicContact CB-CG 4.39Å; L561-K563 PolarHBondContact O-N 2.99Å
562	N	60.7	Low	68	Low	69 Å²	69	67.2 Å²	67.2	37%	0.369	37%	0.366	S	S	.	.			trans	58.3	6.7	-174.4	-101.3	-28.8	0	0	0	115.6	V558 R623 A625	V558-N562 WeakPolarHBondContact O-CA 3.43Å; V558-N562 PolarHBondContact O-N 2.69Å; V558-N562 VanDerWaalsContact O-N 3.13Å; N562-R623 PolarHBondContact O-NH1 3.42Å; N562-R623 PolarHBondContact O-NH2 2.8Å; N562-A625 WeakPolarHBondContact OD1-CA 3.37Å; N562-A625 PolarHBondContact OD1-N 3Å
563	K	57.3	Low	68	Low	159 Å²	159	67 Å²	67	69%	0.691	37%	0.365	S	S	*	.			trans	-88	124.2	-177.1	-68.7	179.9	-178.8	-177.8	0	111.7	V558 L561	V558-K563 WeakPolarHBondContact CG2-O 2.89Å; L561-K563 HydrophobicContact CB-CG 4.39Å; L561-K563 PolarHBondContact O-N 2.99Å
564	T	59	Low	68.5	Low	59 Å²	59	65.6 Å²	65.6	36%	0.362	36%	0.357	S	S	.	.			trans	-119	157.5	175	46.3	0	0	0	0	111.5	V558 R623	V558-T564 HydrophobicContact CG1-CG2 4.08Å; V558-T564 HydrophobicContact CG2-CG2 3.57Å; T564-R623 PolarHBondContact OG1-NH2 2.82Å
565	S	53.7	Low	69.2	Low	73 Å²	73	66.8 Å²	66.8	51%	0.51	36%	0.361	S	S	.	.			trans	-74.4	147.3	163.1	-179.5	0	0	0	0	110.3	T567 G568	S565-T567 PolarHBondContact O-N 3.21Å; S565-T567 PolarHBondContact OG-N 2.97Å; S565-T567 PolarHBondContact OG-OG1 3.46Å; S565-G568 PolarHBondContact O-N 3.35Å; S565-G568 VanDerWaalsContact O-N 3.14Å
566	S	52.8	Low	69.9	Low	109 Å²	109	66.2 Å²	66.2	76%	0.762	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.8	170.6	49.4	0	0	0	0	114
567	T	57.8	Low	71.2	Confident	104 Å²	104	58.3 Å²	58.3	64%	0.638	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	18.9	175.5	55.3	0	0	0	0	113.3	S565	S565-T567 PolarHBondContact O-N 3.21Å; S565-T567 PolarHBondContact OG-N 2.97Å; S565-T567 PolarHBondContact OG-OG1 3.46Å
568	G	72.6	Confident	72.5	Confident	12 Å²	12	57 Å²	57	12%	0.124	31%	0.306	C	S	.	.	S	Bend	trans	-71.9	-176.9	-177.9	0	0	0	0	0	115.1	S565 E570 E571	S565-G568 PolarHBondContact O-N 3.35Å; S565-G568 VanDerWaalsContact O-N 3.14Å; G568-E570 PolarHBondContact O-N 3.2Å; G568-E571 PolarHBondContact O-N 3.49Å
569	P	79.4	Confident	73.5	Confident	29 Å²	29	61.3 Å²	61.3	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-55.4	-33.9	-179.5	-25.9	35.2	0	0	0	114	M552 E571 R572 W573	M552-P569 HydrophobicContact CG-CB 4.26Å; P569-E571 PolarHBondContact O-N 2.98Å; P569-R572 WeakPolarHBondContact O-CB 3.21Å; P569-R572 PolarHBondContact O-N 2.85Å; P569-W573 PolarHBondContact O-N 3.08Å; P569-W573 VanDerWaalsContact O-N 3.1Å
570	E	84.1	Confident	74.8	Confident	25 Å²	25	59.5 Å²	59.5	12%	0.117	32%	0.317	C	S	.	.	H	α-helix	trans	-52.9	-52.5	179.3	-177.6	-176.9	152.2	0	0	113.6	M552 G568 R572 W573 I574 R621 R623 I628	M552-E570 VanDerWaalsContact SD-CA 3.5Å; M552-E570 HydrophobicContact SD-CB 4.15Å; G568-E570 PolarHBondContact O-N 3.2Å; E570-R572 PolarHBondContact O-N 2.91Å; E570-W573 PolarHBondContact O-N 3.39Å; E570-I574 HydrophobicContact CG-CD1 4.03Å; E570-I574 WeakPolarHBondContact O-CG1 3.11Å; E570-I574 PolarHBondContact O-N 3.33Å; E570-R621 WeakPolarHBondContact OE1-CD 3.49Å; E570-R621 IonicContact OE1-CZ 2.71Å; E570-R621 IonicContact OE1-NE 3.47Å; E570-R621 PolarHBondContact OE1-NE 3.18Å; E570-R621 IonicContact OE1-NH1 3.48Å; E570-R621 PolarHBondContact OE1-NH1 3.42Å; E570-R623 VanDerWaalsContact OE2-CD 3.27Å; E570-R623 WeakPolarHBondContact OE2-CD 3.23Å; E570-R623 IonicContact OE2-NE 3.37Å; E570-R623 PolarHBondContact OE2-NE 2.86Å; E570-I628 HydrophobicContact CB-CD1 4.16Å; E570-I628 HydrophobicContact CG-CD1 3.99Å
571	E	83.7	Confident	76.3	Confident	66 Å²	66	57.2 Å²	57.2	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-72.4	-21.7	-175.3	-150.1	72.4	-144.6	0	0	111.5	G568 P569 Q575 R618 R621	G568-E571 PolarHBondContact O-N 3.49Å; P569-E571 PolarHBondContact O-N 2.98Å; E571-Q575 WeakPolarHBondContact O-CB 3.4Å; E571-Q575 PolarHBondContact O-N 2.93Å; E571-R618 IonicContact OE1-NH1 3.69Å; E571-R618 IonicContact OE1-NH2 2.98Å; E571-R621 IonicContact OE2-CZ 3.27Å; E571-R621 IonicContact OE2-NH1 2.62Å; E571-R621 PolarHBondContact OE2-NH1 3.23Å; E571-R621 IonicContact OE2-NH2 2.73Å; E571-R621 PolarHBondContact OE2-NH2 3.41Å
572	R	85.5	Confident	77.5	Confident	114 Å²	114	53.6 Å²	53.6	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-72.1	-44.6	171.9	-56.9	-178.3	-165.7	151.2	4.9	111.9	S521 P569 E570 I574 Q575 Q576	S521-R572 PolarHBondContact OG-NH1 3.25Å; P569-R572 WeakPolarHBondContact O-CB 3.21Å; P569-R572 PolarHBondContact O-N 2.85Å; E570-R572 PolarHBondContact O-N 2.91Å; R572-I574 VanDerWaalsContact C-N 3.32Å; R572-Q575 PolarHBondContact O-N 3.48Å; R572-Q576 WeakPolarHBondContact O-CG 3.43Å; R572-Q576 PolarHBondContact O-N 3.44Å
573	W	88	Confident	78.7	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-41.5	174.5	-82.7	110.3	0	0	0	111.3	W515 V517 R520 M527 L529 F549 M552 P569 E570 Q576 L577	W515-W573 AromaticContact CE3-CH2 3.83Å; W515-W573 HydrophobicContact CE3-CH2 3.83Å; W515-W573 AromaticContact CE3-CZ3 3.98Å; W515-W573 HydrophobicContact CE3-CZ3 3.98Å; W515-W573 AromaticContact CH2-CH2 3.87Å; W515-W573 HydrophobicContact CH2-CH2 3.87Å; W515-W573 HydrophobicContact CH2-CZ3 4.45Å; W515-W573 AromaticContact CZ3-CH2 3.41Å; W515-W573 HydrophobicContact CZ3-CH2 3.41Å; W515-W573 VanDerWaalsContact CZ3-CH2 3.41Å; W515-W573 AromaticContact CZ3-CZ3 3.61Å; W515-W573 HydrophobicContact CZ3-CZ3 3.61Å; V517-W573 HydrophobicContact CB-CZ2 3.93Å; V517-W573 HydrophobicContact CG1-CH2 3.92Å; V517-W573 HydrophobicContact CG1-CZ2 3.59Å; V517-W573 HydrophobicContact CG2-CZ2 4.36Å; R520-W573 WeakPolarHBondContact O-CZ2 3.42Å; R520-W573 PolarHBondContact O-NE1 3.31Å; M527-W573 HydrophobicContact CE-CH2 3.42Å; M527-W573 VanDerWaalsContact CE-CH2 3.42Å; M527-W573 HydrophobicContact CE-CZ2 4.26Å; M527-W573 HydrophobicContact CE-CZ3 3.77Å; L529-W573 HydrophobicContact CD1-CE3 4.49Å; L529-W573 HydrophobicContact CD1-CZ3 4.41Å; L529-W573 HydrophobicContact CD2-CZ3 4.28Å; F549-W573 HydrophobicContact CE1-CD2 4.13Å; F549-W573 AromaticContact CE1-CE3 3.78Å; F549-W573 HydrophobicContact CE1-CE3 3.78Å; F549-W573 HydrophobicContact CE1-CZ3 4.07Å; F549-W573 HydrophobicContact CZ-CD2 4.44Å; F549-W573 HydrophobicContact CZ-CE3 4.02Å; M552-W573 HydrophobicContact CE-CB 3.89Å; M552-W573 HydrophobicContact CE-CG 3.83Å; M552-W573 HydrophobicContact SD-CB 4.16Å; M552-W573 HydrophobicContact SD-CG 4.03Å; P569-W573 PolarHBondContact O-N 3.08Å; P569-W573 VanDerWaalsContact O-N 3.1Å; E570-W573 PolarHBondContact O-N 3.39Å; W573-Q576 PolarHBondContact O-N 3.08Å; W573-L577 WeakPolarHBondContact O-CG 3.2Å; W573-L577 PolarHBondContact O-N 3.04Å
574	I	89.9	Confident	80.1	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-46.8	171.7	-73.4	172.8	0	0	0	111.2	E570 R572 Q576 L577 E578 V630	E570-I574 HydrophobicContact CG-CD1 4.03Å; E570-I574 WeakPolarHBondContact O-CG1 3.11Å; E570-I574 PolarHBondContact O-N 3.33Å; R572-I574 VanDerWaalsContact C-N 3.32Å; I574-Q576 PolarHBondContact O-N 2.75Å; I574-L577 PolarHBondContact O-N 2.84Å; I574-E578 WeakPolarHBondContact CG2-OE1 3.26Å; I574-E578 WeakPolarHBondContact O-CB 3.28Å; I574-E578 WeakPolarHBondContact O-CG 3.41Å; I574-E578 PolarHBondContact O-N 2.76Å; I574-V630 HydrophobicContact CD1-CG2 4.32Å; I574-V630 HydrophobicContact CG1-CG2 4.21Å
575	Q	88	Confident	81.6	Confident	102 Å²	102	40.3 Å²	40.3	48%	0.477	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-43.3	177.2	-177.3	179.3	-4.9	0	0	112.1	E571 R572 E578 E579	E571-Q575 WeakPolarHBondContact O-CB 3.4Å; E571-Q575 PolarHBondContact O-N 2.93Å; R572-Q575 PolarHBondContact O-N 3.48Å; Q575-E578 CarbonylContact O-C 3.57Å; Q575-E578 PolarHBondContact O-N 2.88Å; Q575-E579 HydrophobicContact CG-CG 4.43Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.48Å; Q575-E579 PolarHBondContact NE2-OE1 3.49Å; Q575-E579 WeakPolarHBondContact O-CB 3.44Å; Q575-E579 WeakPolarHBondContact O-CG 3.29Å; Q575-E579 PolarHBondContact O-N 2.81Å
576	Q	88.4	Confident	83.2	Confident	29 Å²	29	40.2 Å²	40.2	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-41.1	178.5	-74.2	175.1	-16	0	0	112.1	L529 R572 W573 I574 E579 A580	L529-Q576 HydrophobicContact CD1-CB 3.82Å; L529-Q576 HydrophobicContact CG-CB 4.45Å; R572-Q576 WeakPolarHBondContact O-CG 3.43Å; R572-Q576 PolarHBondContact O-N 3.44Å; W573-Q576 PolarHBondContact O-N 3.08Å; I574-Q576 PolarHBondContact O-N 2.75Å; Q576-E579 PolarHBondContact O-N 2.84Å; Q576-A580 WeakPolarHBondContact O-CB 3.45Å; Q576-A580 PolarHBondContact O-N 3.31Å
577	L	91.3	Very high	84.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.6	171.4	-71.2	170.9	0	0	0	111.7	L529 W532 L533 F547 F549 W573 I574 E579 A580	L529-L577 HydrophobicContact CD1-CD2 3.91Å; L529-L577 HydrophobicContact CD1-CG 4.21Å; W532-L577 HydrophobicContact CE3-CD2 4.45Å; W532-L577 HydrophobicContact CZ3-CD2 4.02Å; L533-L577 HydrophobicContact CD1-CD2 3.89Å; L533-L577 HydrophobicContact CD2-CD2 3.88Å; L533-L577 HydrophobicContact CG-CD2 4.43Å; F547-L577 HydrophobicContact CB-CD1 4.04Å; F547-L577 HydrophobicContact CD1-CD2 3.83Å; F547-L577 HydrophobicContact CD2-CD1 3.76Å; F547-L577 HydrophobicContact CD2-CD2 4.04Å; F547-L577 HydrophobicContact CD2-CG 4.46Å; F547-L577 HydrophobicContact CE1-CD2 3.83Å; F547-L577 HydrophobicContact CE2-CD1 4.36Å; F547-L577 HydrophobicContact CE2-CD2 4.03Å; F547-L577 HydrophobicContact CG-CD1 3.86Å; F547-L577 HydrophobicContact CG-CD2 3.93Å; F547-L577 HydrophobicContact CZ-CD2 3.93Å; F549-L577 HydrophobicContact CE2-CD1 3.92Å; F549-L577 HydrophobicContact CZ-CD1 3.99Å; W573-L577 WeakPolarHBondContact O-CG 3.2Å; W573-L577 PolarHBondContact O-N 3.04Å; I574-L577 PolarHBondContact O-N 2.84Å; L577-E579 VanDerWaalsContact C-N 3.26Å; L577-E579 PolarHBondContact O-N 2.86Å; L577-A580 PolarHBondContact O-N 2.93Å
578	E	90.6	Very high	85.4	Confident	34 Å²	34	41.5 Å²	41.5	16%	0.159	20%	0.202	C	C	.	.	H	α-helix	trans	-72.8	-14.8	179.4	-75.3	-178.4	-154.4	0	0	113.3	I574 Q575 G583 K586 R618 Y632	I574-E578 WeakPolarHBondContact CG2-OE1 3.26Å; I574-E578 WeakPolarHBondContact O-CB 3.28Å; I574-E578 WeakPolarHBondContact O-CG 3.41Å; I574-E578 PolarHBondContact O-N 2.76Å; Q575-E578 CarbonylContact O-C 3.57Å; Q575-E578 PolarHBondContact O-N 2.88Å; E578-G583 WeakPolarHBondContact O-CA 3.38Å; E578-K586 HydrophobicContact CB-CD 4.41Å; E578-K586 HydrophobicContact CB-CG 3.81Å; E578-K586 HydrophobicContact CG-CG 4.45Å; E578-K586 VanDerWaalsContact O-CD 3.27Å; E578-K586 WeakPolarHBondContact O-CD 3.48Å; E578-K586 WeakPolarHBondContact O-CE 3.34Å; E578-K586 VanDerWaalsContact O-CG 3.26Å; E578-K586 WeakPolarHBondContact O-CG 3.33Å; E578-R618 IonicContact OE1-CZ 3.56Å; E578-R618 IonicContact OE1-NH1 3.27Å; E578-R618 PolarHBondContact OE1-NH1 3.33Å; E578-R618 IonicContact OE2-NH1 3.76Å; E578-Y632 HydrophobicContact CG-CE1 3.77Å; E578-Y632 WeakPolarHBondContact CG-OH 3.19Å; E578-Y632 WeakPolarHBondContact OE1-CE1 3.43Å; E578-Y632 PolarHBondContact OE1-OH 3.44Å
579	E	85.9	Confident	85.1	Confident	93 Å²	93	44.4 Å²	44.4	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-97.3	-23.4	175.1	-75.8	172.9	-171.3	0	0	113.8	Q575 Q576 L577 G583 K586	Q575-E579 HydrophobicContact CG-CG 4.43Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.48Å; Q575-E579 PolarHBondContact NE2-OE1 3.49Å; Q575-E579 WeakPolarHBondContact O-CB 3.44Å; Q575-E579 WeakPolarHBondContact O-CG 3.29Å; Q575-E579 PolarHBondContact O-N 2.81Å; Q576-E579 PolarHBondContact O-N 2.84Å; L577-E579 VanDerWaalsContact C-N 3.26Å; L577-E579 PolarHBondContact O-N 2.86Å; E579-G583 PolarHBondContact O-N 2.94Å; E579-K586 IonicContact OE1-NZ 2.69Å; E579-K586 PolarHBondContact OE1-NZ 3.32Å
580	A	87.9	Confident	83.7	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.033	25%	0.254	C	S	.	.	S	Bend	trans	-65	166.1	173.1	0	0	0	0	0	113.2	L529 L533 Q576 L577 G582 G583 L584	L529-A580 HydrophobicContact CB-CB 3.96Å; L533-A580 HydrophobicContact CD2-CB 3.84Å; Q576-A580 WeakPolarHBondContact O-CB 3.45Å; Q576-A580 PolarHBondContact O-N 3.31Å; L577-A580 PolarHBondContact O-N 2.93Å; A580-G582 PolarHBondContact O-N 3.42Å; A580-G583 PolarHBondContact O-N 3.48Å; A580-L584 PolarHBondContact O-N 3.28Å
581	L	87.2	Confident	82	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	55.7	31.6	-171	-59.2	-178.5	0	0	0	112.3	D530 L533 I534 Y545 G583 L584 Y604 A605	D530-L581 WeakPolarHBondContact OD1-CA 3.47Å; D530-L581 PolarHBondContact OD1-N 3.48Å; L533-L581 HydrophobicContact CB-CD1 3.99Å; L533-L581 HydrophobicContact CB-CD2 4.09Å; L533-L581 HydrophobicContact CB-CG 3.93Å; I534-L581 HydrophobicContact CB-CD2 4.23Å; Y545-L581 HydrophobicContact CE1-CD1 4.48Å; L581-G583 VanDerWaalsContact C-N 3.27Å; L581-G583 PolarHBondContact O-N 2.95Å; L581-L584 HydrophobicContact CB-CB 3.91Å; L581-Y604 HydrophobicContact CB-CD1 3.82Å; L581-Y604 HydrophobicContact CB-CE1 4.31Å; L581-Y604 HydrophobicContact CD1-CD1 4.23Å; L581-Y604 HydrophobicContact CD1-CE1 3.86Å; L581-Y604 HydrophobicContact CD2-CD1 4.01Å; L581-Y604 HydrophobicContact CD2-CE1 4Å; L581-Y604 HydrophobicContact CD2-CG 4.41Å; L581-Y604 HydrophobicContact CG-CD1 4.24Å; L581-Y604 HydrophobicContact CG-CE1 4.29Å; L581-A605 PolarHBondContact O-N 3.23Å; L581-A605 VanDerWaalsContact O-N 3.16Å
582	G	83.1	Confident	80.5	Confident	36 Å²	36	56 Å²	56	37%	0.371	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	66.6	22.5	-172.8	0	0	0	0	0	114.7	A580 W594	A580-G582 PolarHBondContact O-N 3.42Å; G582-W594 VanDerWaalsContact O-CZ3 3.23Å; G582-W594 WeakPolarHBondContact O-CZ3 3.39Å
583	G	86.4	Confident	78.9	Confident	7 Å²	7	55.6 Å²	55.6	7%	0.072	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	95.7	8.8	-178.6	0	0	0	0	0	115	E578 E579 A580 L581 L585 K586 W594	E578-G583 WeakPolarHBondContact O-CA 3.38Å; E579-G583 PolarHBondContact O-N 2.94Å; A580-G583 PolarHBondContact O-N 3.48Å; L581-G583 VanDerWaalsContact C-N 3.27Å; L581-G583 PolarHBondContact O-N 2.95Å; G583-L585 VanDerWaalsContact C-N 3.26Å; G583-L585 PolarHBondContact O-N 3.41Å; G583-K586 WeakPolarHBondContact O-CB 3.33Å; G583-K586 PolarHBondContact O-N 3.28Å; G583-K586 VanDerWaalsContact O-N 3.11Å; G583-W594 WeakPolarHBondContact O-CH2 3.49Å
584	L	87.7	Confident	77.4	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.6	-171	177.4	56.2	0	0	0	113.5	P541 A580 L581 K586 Y604 A605 W608 T612 G615 Y616	P541-L584 HydrophobicContact CB-CD2 4.18Å; P541-L584 HydrophobicContact CG-CD2 4.02Å; A580-L584 PolarHBondContact O-N 3.28Å; L581-L584 HydrophobicContact CB-CB 3.91Å; L584-K586 PolarHBondContact O-N 3.16Å; L584-Y604 HydrophobicContact CD2-CD1 3.71Å; L584-Y604 HydrophobicContact CD2-CE1 3.8Å; L584-A605 HydrophobicContact CB-CB 3.85Å; L584-A605 HydrophobicContact CD1-CB 4.44Å; L584-W608 HydrophobicContact CD2-CB 4.47Å; L584-T612 HydrophobicContact CD1-CG2 4.17Å; L584-G615 WeakPolarHBondContact O-CA 3.28Å; L584-Y616 HydrophobicContact CD1-CD2 4.35Å; L584-Y616 HydrophobicContact CD1-CE2 4.01Å; L584-Y616 HydrophobicContact CD2-CE2 4.17Å; L584-Y616 HydrophobicContact CG-CD2 4.16Å; L584-Y616 HydrophobicContact CG-CE2 3.75Å; L584-Y616 WeakPolarHBondContact O-CD2 3.46Å
585	L	90.6	Very high	75.3	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6	-178.7	-68.5	-177.1	0	0	0	114.4	L533 Y545 F547 G583 Y616 Y632	L533-L585 HydrophobicContact CD2-CD1 3.8Å; Y545-L585 HydrophobicContact CD2-CD2 3.82Å; Y545-L585 HydrophobicContact CE2-CD2 4.25Å; Y545-L585 HydrophobicContact CG-CD2 4.11Å; F547-L585 HydrophobicContact CE2-CD1 3.72Å; F547-L585 HydrophobicContact CZ-CD1 3.89Å; G583-L585 VanDerWaalsContact C-N 3.26Å; G583-L585 PolarHBondContact O-N 3.41Å; L585-Y616 HydrophobicContact CD2-CD1 3.93Å; L585-Y616 HydrophobicContact CD2-CD2 3.84Å; L585-Y616 HydrophobicContact CD2-CE1 4.31Å; L585-Y616 HydrophobicContact CD2-CE2 4.2Å; L585-Y616 HydrophobicContact CD2-CG 3.73Å; L585-Y632 HydrophobicContact CB-CD1 4.41Å
586	K	85.6	Confident	73.3	Confident	71 Å²	71	65.2 Å²	65.2	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	-71.5	156.3	174.1	-78.8	168.5	178.5	179	0	112.3	E578 E579 G583 L584 Y616	E578-K586 HydrophobicContact CB-CD 4.41Å; E578-K586 HydrophobicContact CB-CG 3.81Å; E578-K586 HydrophobicContact CG-CG 4.45Å; E578-K586 VanDerWaalsContact O-CD 3.27Å; E578-K586 WeakPolarHBondContact O-CD 3.48Å; E578-K586 WeakPolarHBondContact O-CE 3.34Å; E578-K586 VanDerWaalsContact O-CG 3.26Å; E578-K586 WeakPolarHBondContact O-CG 3.33Å; E579-K586 IonicContact OE1-NZ 2.69Å; E579-K586 PolarHBondContact OE1-NZ 3.32Å; G583-K586 WeakPolarHBondContact O-CB 3.33Å; G583-K586 PolarHBondContact O-N 3.28Å; G583-K586 VanDerWaalsContact O-N 3.11Å; L584-K586 PolarHBondContact O-N 3.16Å; K586-Y616 CarbonylContact C-O 3.52Å; K586-Y616 PolarHBondContact O-N 2.94Å
587	R	83.4	Confident	71.4	Confident	196 Å²	196	74.7 Å²	74.7	74%	0.74	39%	0.394	S	S	*	.			trans	-60.1	136.5	174.2	-176.2	167.7	-174.5	167.1	1.4	110.6	S589 Y616 L617	R587-S589 PolarHBondContact O-N 2.85Å; R587-Y616 WeakPolarHBondContact CA-O 3.19Å; R587-Y616 PolarHBondContact N-O 3.11Å; R587-L617 HydrophobicContact CB-CD2 4.48Å; R587-L617 HydrophobicContact CG-CD2 3.77Å
588	P	73.4	Confident	68.9	Low	44 Å²	44	81.3 Å²	81.3	29%	0.286	44%	0.435	S	S	.	.			trans	-55.7	114.3	169.8	-20.5	29	0	0	0	110.3	A635	P588-A635 HydrophobicContact CG-CB 3.71Å
589	S	67.1	Low	66.7	Low	73 Å²	73	82.5 Å²	82.5	51%	0.51	46%	0.456	S	S	.	.			trans	-78.1	145.5	169.6	50.3	0	0	0	0	109.8	R587 H591	R587-S589 PolarHBondContact O-N 2.85Å; S589-H591 CarbonylContact O-C 3.55Å; S589-H591 PolarHBondContact O-N 3.13Å; S589-H591 PolarHBondContact OG-O 2.91Å
590	S	49.7	Very low	64.6	Low	128 Å²	128	84.5 Å²	84.5	90%	0.895	48%	0.481	S	S	*	.	S	Bend	trans	-61.5	-10.1	-179.9	-46.7	0	0	0	0	114.3
591	H	48.1	Very low	62.4	Low	157 Å²	157	89.9 Å²	89.9	73%	0.727	51%	0.513	S	S	*	.	S	Bend	trans	-126.3	110.3	163.8	-61.8	1.1	0	0	0	106.9	S589 V593	S589-H591 CarbonylContact O-C 3.55Å; S589-H591 PolarHBondContact O-N 3.13Å; S589-H591 PolarHBondContact OG-O 2.91Å; H591-V593 PolarHBondContact O-N 3.33Å
592	S	53.8	Low	60.9	Low	78 Å²	78	98.1 Å²	98.1	55%	0.545	55%	0.549	S	S	.	.			trans	-87.8	89.4	-175.2	48.6	0	0	0	0	111.3	W594	S592-W594 PolarHBondContact O-N 3.04Å
593	V	50.1	Low	60.3	Low	105 Å²	105	98 Å²	98	64%	0.636	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	52.4	-176.5	-163.4	0	0	0	0	112.3	H591	H591-V593 PolarHBondContact O-N 3.33Å
594	W	56.9	Low	60.1	Low	70 Å²	70	99.4 Å²	99.4	27%	0.265	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-19	172.3	-59.8	129.5	0	0	0	112.7	G582 G583 S592 H596 A605 A606	G582-W594 VanDerWaalsContact O-CZ3 3.23Å; G582-W594 WeakPolarHBondContact O-CZ3 3.39Å; G583-W594 WeakPolarHBondContact O-CH2 3.49Å; S592-W594 PolarHBondContact O-N 3.04Å; W594-H596 PolarHBondContact O-N 2.7Å; W594-A605 HydrophobicContact CD2-CB 4.22Å; W594-A605 HydrophobicContact CE3-CB 3.91Å; W594-A605 HydrophobicContact CH2-CB 3.97Å; W594-A605 HydrophobicContact CZ2-CB 4.23Å; W594-A605 HydrophobicContact CZ3-CB 3.8Å; W594-A606 HydrophobicContact CB-CB 4.19Å
595	A	47.1	Very low	59.8	Low	83 Å²	83	99.4 Å²	99.4	69%	0.686	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.4	-171.3	0	0	0	0	0	115.9
596	H	45.7	Very low	59.4	Low	158 Å²	158	101.3 Å²	101.3	73%	0.731	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	4.2	-165.4	-79.5	-68.3	0	0	0	116.6	W594 T598	W594-H596 PolarHBondContact O-N 2.7Å; H596-T598 PolarHBondContact O-N 3.09Å
597	R	47.5	Very low	59.3	Low	227 Å²	227	103.6 Å²	103.6	86%	0.857	57%	0.573	S	S	*	*			trans	-91.3	76.6	171	-71.3	-164.5	-179.4	-159.8	2	111.1	G599	R597-G599 PolarHBondContact O-N 3.25Å; R597-G599 VanDerWaalsContact O-N 3.16Å
598	T	39.4	Very low	59.5	Low	140 Å²	140	97.1 Å²	97.1	86%	0.859	55%	0.549	S	S	*	.			trans	-76.6	91.6	177.4	46.7	0	0	0	0	111.8	H596	H596-T598 PolarHBondContact O-N 3.09Å
599	G	43.5	Very low	60.1	Low	58 Å²	58	96.2 Å²	96.2	60%	0.598	54%	0.544	S	S	*	.	S	Bend	trans	-156.6	83.3	180	0	0	0	0	0	114.9	R597 V601	R597-G599 PolarHBondContact O-N 3.25Å; R597-G599 VanDerWaalsContact O-N 3.16Å; G599-V601 PolarHBondContact O-N 3.31Å
600	S	41.7	Very low	60.9	Low	136 Å²	136	101.1 Å²	101.1	95%	0.951	56%	0.558	S	S	*	*	S	Bend	trans	51.2	-18.2	167.9	-154.8	0	0	0	0	121.2
601	V	43.1	Very low	62.7	Low	117 Å²	117	97.9 Å²	97.9	71%	0.709	53%	0.528	S	S	*	.	S	Bend	trans	-130.4	128.3	173.2	-173	0	0	0	0	106.8	G599 S603	G599-V601 PolarHBondContact O-N 3.31Å; V601-S603 PolarHBondContact O-N 2.82Å; V601-S603 VanDerWaalsContact O-N 3.09Å
602	K	54.4	Low	64.8	Low	175 Å²	175	90.4 Å²	90.4	76%	0.761	49%	0.494	S	S	*	.			trans	-58.7	117.7	167.9	-72.2	-177.1	178.2	-179.5	0	106.5	Y604	K602-Y604 PolarHBondContact O-N 3.46Å
603	S	72	Confident	66.5	Low	33 Å²	33	88.6 Å²	88.6	23%	0.231	49%	0.487	C	S	.	.			trans	-56	141.7	-174.2	70.6	0	0	0	0	110.1	V601 A605 A606 Q607	V601-S603 PolarHBondContact O-N 2.82Å; V601-S603 VanDerWaalsContact O-N 3.09Å; S603-A605 PolarHBondContact O-N 3.2Å; S603-A605 VanDerWaalsContact O-N 3.14Å; S603-A606 WeakPolarHBondContact O-CA 3.31Å; S603-A606 WeakPolarHBondContact O-CB 3.35Å; S603-A606 PolarHBondContact O-N 3.24Å; S603-A606 WeakPolarHBondContact OG-CB 3.42Å; S603-A606 PolarHBondContact OG-N 3.29Å; S603-Q607 PolarHBondContact O-N 2.9Å
604	Y	82.1	Confident	68.2	Low	37 Å²	37	84.3 Å²	84.3	15%	0.145	47%	0.465	C	S	.	.	H	α-helix	trans	-55.7	-36.3	-177	-170.7	-87.9	0	0	0	111.1	I534 S535 P541 L581 L584 K602 Q607 W608	I534-Y604 HydrophobicContact CD1-CD2 4.32Å; I534-Y604 HydrophobicContact CD1-CE2 4.07Å; I534-Y604 HydrophobicContact CG1-CD2 4.35Å; I534-Y604 HydrophobicContact CG1-CE2 3.7Å; S535-Y604 WeakPolarHBondContact CB-OH 3.42Å; S535-Y604 PolarHBondContact N-OH 3.48Å; S535-Y604 PolarHBondContact OG-OH 3.06Å; P541-Y604 HydrophobicContact CB-CE1 4.3Å; P541-Y604 HydrophobicContact CG-CE1 3.66Å; L581-Y604 HydrophobicContact CB-CD1 3.82Å; L581-Y604 HydrophobicContact CB-CE1 4.31Å; L581-Y604 HydrophobicContact CD1-CD1 4.23Å; L581-Y604 HydrophobicContact CD1-CE1 3.86Å; L581-Y604 HydrophobicContact CD2-CD1 4.01Å; L581-Y604 HydrophobicContact CD2-CE1 4Å; L581-Y604 HydrophobicContact CD2-CG 4.41Å; L581-Y604 HydrophobicContact CG-CD1 4.24Å; L581-Y604 HydrophobicContact CG-CE1 4.29Å; L584-Y604 HydrophobicContact CD2-CD1 3.71Å; L584-Y604 HydrophobicContact CD2-CE1 3.8Å; K602-Y604 PolarHBondContact O-N 3.46Å; Y604-Q607 PolarHBondContact O-N 2.85Å; Y604-W608 AromaticContact CD1-CD1 3.88Å; Y604-W608 AromaticContact CD2-CD1 4Å; Y604-W608 AromaticContact CE1-CD1 3.86Å; Y604-W608 AromaticContact CE2-CD1 3.96Å; Y604-W608 AromaticContact CE2-NE1 3.71Å; Y604-W608 AromaticContact CG-CD1 3.98Å; Y604-W608 AromaticContact CZ-CD1 3.91Å; Y604-W608 AromaticContact CZ-NE1 3.92Å; Y604-W608 VanDerWaalsContact O-CD1 3.31Å; Y604-W608 PolarHBondContact O-N 3.02Å; Y604-W608 VanDerWaalsContact O-N 3.14Å
605	A	81.6	Confident	69.9	Low	0 Å²	0	81 Å²	81	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-55.8	-49.3	168	0	0	0	0	0	114.2	L581 L584 W594 S603 W608 S609	L581-A605 PolarHBondContact O-N 3.23Å; L581-A605 VanDerWaalsContact O-N 3.16Å; L584-A605 HydrophobicContact CB-CB 3.85Å; L584-A605 HydrophobicContact CD1-CB 4.44Å; W594-A605 HydrophobicContact CD2-CB 4.22Å; W594-A605 HydrophobicContact CE3-CB 3.91Å; W594-A605 HydrophobicContact CH2-CB 3.97Å; W594-A605 HydrophobicContact CZ2-CB 4.23Å; W594-A605 HydrophobicContact CZ3-CB 3.8Å; S603-A605 PolarHBondContact O-N 3.2Å; S603-A605 VanDerWaalsContact O-N 3.14Å; A605-W608 PolarHBondContact O-N 3.2Å; A605-S609 WeakPolarHBondContact O-CA 3.18Å; A605-S609 WeakPolarHBondContact O-CB 3.29Å; A605-S609 PolarHBondContact O-N 2.87Å
606	A	80.2	Confident	72.1	Confident	42 Å²	42	77.1 Å²	77.1	35%	0.347	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-39.4	179.4	0	0	0	0	0	112.6	W594 S603 W608	W594-A606 HydrophobicContact CB-CB 4.19Å; S603-A606 WeakPolarHBondContact O-CA 3.31Å; S603-A606 WeakPolarHBondContact O-CB 3.35Å; S603-A606 PolarHBondContact O-N 3.24Å; S603-A606 WeakPolarHBondContact OG-CB 3.42Å; S603-A606 PolarHBondContact OG-N 3.29Å; A606-W608 VanDerWaalsContact C-N 3.34Å; A606-W608 PolarHBondContact O-N 2.7Å
607	Q	84.5	Confident	74.4	Confident	118 Å²	118	70.9 Å²	70.9	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-60.4	-42.1	176.5	177.1	177.1	-8.3	0	0	112.1	S603 Y604	S603-Q607 PolarHBondContact O-N 2.9Å; Y604-Q607 PolarHBondContact O-N 2.85Å
608	W	88.5	Confident	76.7	Confident	60 Å²	60	64.4 Å²	64.4	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-105.2	1.4	-171	-64.9	110.9	0	0	0	115.1	P540 P541 L584 Y604 A605 A606 H610 H611 T612	P540-W608 HydrophobicContact CB-CE3 4.4Å; P540-W608 HydrophobicContact CB-CH2 4.08Å; P540-W608 HydrophobicContact CB-CZ3 3.86Å; P541-W608 VanDerWaalsContact CD-CG 3.49Å; P541-W608 HydrophobicContact CG-CB 3.56Å; P541-W608 HydrophobicContact CG-CD2 3.81Å; P541-W608 HydrophobicContact CG-CE3 4.43Å; P541-W608 HydrophobicContact CG-CG 3.39Å; L584-W608 HydrophobicContact CD2-CB 4.47Å; Y604-W608 AromaticContact CD1-CD1 3.88Å; Y604-W608 AromaticContact CD2-CD1 4Å; Y604-W608 AromaticContact CE1-CD1 3.86Å; Y604-W608 AromaticContact CE2-CD1 3.96Å; Y604-W608 AromaticContact CE2-NE1 3.71Å; Y604-W608 AromaticContact CG-CD1 3.98Å; Y604-W608 AromaticContact CZ-CD1 3.91Å; Y604-W608 AromaticContact CZ-NE1 3.92Å; Y604-W608 VanDerWaalsContact O-CD1 3.31Å; Y604-W608 PolarHBondContact O-N 3.02Å; Y604-W608 VanDerWaalsContact O-N 3.14Å; A605-W608 PolarHBondContact O-N 3.2Å; A606-W608 VanDerWaalsContact C-N 3.34Å; A606-W608 PolarHBondContact O-N 2.7Å; W608-H610 VanDerWaalsContact C-N 3.29Å; W608-H610 PolarHBondContact O-N 3.17Å; W608-H611 HydrophobicContact CE3-CB 3.83Å; W608-H611 HydrophobicContact CZ3-CB 4.5Å; W608-H611 WeakPolarHBondContact O-CA 3.39Å; W608-H611 WeakPolarHBondContact O-CB 3.19Å; W608-H611 PolarHBondContact O-N 3.05Å; W608-T612 PolarHBondContact O-N 3.29Å; W608-T612 VanDerWaalsContact O-N 3.07Å; W608-T612 PolarHBondContact O-OG1 3.46Å
609	S	84.5	Confident	79.3	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-47.7	-47.3	-179.3	-166.1	0	0	0	0	113.2	A605 H611 T612 G613 G614	A605-S609 WeakPolarHBondContact O-CA 3.18Å; A605-S609 WeakPolarHBondContact O-CB 3.29Å; A605-S609 PolarHBondContact O-N 2.87Å; S609-H611 PolarHBondContact O-N 3.3Å; S609-T612 PolarHBondContact O-N 3.01Å; S609-T612 PolarHBondContact O-OG1 2.9Å; S609-G613 PolarHBondContact O-N 3.35Å; S609-G614 PolarHBondContact O-N 3.38Å
610	H	84.2	Confident	81.6	Confident	176 Å²	176	59.9 Å²	59.9	82%	0.815	32%	0.322	S	S	*	.	H	α-helix	trans	-66.5	-37	177.8	-176.2	-110.7	0	0	0	112.9	W608 T612	W608-H610 VanDerWaalsContact C-N 3.29Å; W608-H610 PolarHBondContact O-N 3.17Å; H610-T612 VanDerWaalsContact C-N 3.3Å; H610-T612 PolarHBondContact O-N 3.23Å
611	H	88.7	Confident	84.1	Confident	59 Å²	59	57.8 Å²	57.8	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-33	177	-176.9	90.7	0	0	0	112.3	W608 S609 R636	W608-H611 HydrophobicContact CE3-CB 3.83Å; W608-H611 HydrophobicContact CZ3-CB 4.5Å; W608-H611 WeakPolarHBondContact O-CA 3.39Å; W608-H611 WeakPolarHBondContact O-CB 3.19Å; W608-H611 PolarHBondContact O-N 3.05Å; S609-H611 PolarHBondContact O-N 3.3Å; H611-R636 PolarHBondContact NE2-NH2 2.91Å; H611-R636 VanDerWaalsContact NE2-NH2 3.16Å; H611-R636 VanDerWaalsContact O-CZ 3.25Å; H611-R636 PolarHBondContact O-NE 3.19Å; H611-R636 PolarHBondContact O-NH2 2.68Å
612	T	90.9	Very high	86.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-95.7	-16	-175	63.3	0	0	0	0	113.4	P541 L584 W608 S609 H610 G615 Y616 A635 R636	P541-T612 HydrophobicContact CB-CG2 4.35Å; L584-T612 HydrophobicContact CD1-CG2 4.17Å; W608-T612 PolarHBondContact O-N 3.29Å; W608-T612 VanDerWaalsContact O-N 3.07Å; W608-T612 PolarHBondContact O-OG1 3.46Å; S609-T612 PolarHBondContact O-N 3.01Å; S609-T612 PolarHBondContact O-OG1 2.9Å; H610-T612 VanDerWaalsContact C-N 3.3Å; H610-T612 PolarHBondContact O-N 3.23Å; T612-G615 PolarHBondContact OG1-N 2.99Å; T612-Y616 HydrophobicContact CG2-CE2 3.58Å; T612-Y616 WeakPolarHBondContact CG2-OH 3.23Å; T612-A635 PolarHBondContact O-N 3.36Å; T612-R636 PolarHBondContact O-N 2.81Å
613	G	90	Very high	88.3	Confident	40 Å²	40	47 Å²	47	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	30.4	-174.1	0	0	0	0	0	113.3	S609 A635	S609-G613 PolarHBondContact O-N 3.35Å; G613-A635 WeakPolarHBondContact O-CB 3.44Å
614	G	86.4	Confident	89.1	Confident	16 Å²	16	45.7 Å²	45.7	17%	0.165	23%	0.227	C	C	.	.	S	Bend	trans	98	-5.8	176.7	0	0	0	0	0	115.6	S609	S609-G614 PolarHBondContact O-N 3.38Å
615	G	90.9	Very high	89.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	151.4	-161.8	-172.6	0	0	0	0	0	112.5	L584 T612 A635	L584-G615 WeakPolarHBondContact O-CA 3.28Å; T612-G615 PolarHBondContact OG1-N 2.99Å; G615-A635 WeakPolarHBondContact O-CB 3.44Å; G615-A635 PolarHBondContact O-N 2.89Å
616	Y	94.2	Very high	89.5	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.5	179.6	-71.9	-112.1	0	0	0	111.3	P541 A542 Y545 L584 L585 K586 R587 T612 I633	P541-Y616 WeakPolarHBondContact CB-OH 3.34Å; A542-Y616 VanDerWaalsContact O-CE1 3.29Å; A542-Y616 WeakPolarHBondContact O-CE1 3.41Å; A542-Y616 PolarHBondContact O-OH 2.98Å; Y545-Y616 HydrophobicContact CD2-CD1 4.34Å; Y545-Y616 AromaticContact CD2-CE1 3.7Å; Y545-Y616 HydrophobicContact CD2-CE1 3.7Å; Y545-Y616 AromaticContact CE2-CE1 3.96Å; Y545-Y616 HydrophobicContact CE2-CE1 3.96Å; Y545-Y616 AromaticContact CE2-CZ 3.86Å; L584-Y616 HydrophobicContact CD1-CD2 4.35Å; L584-Y616 HydrophobicContact CD1-CE2 4.01Å; L584-Y616 HydrophobicContact CD2-CE2 4.17Å; L584-Y616 HydrophobicContact CG-CD2 4.16Å; L584-Y616 HydrophobicContact CG-CE2 3.75Å; L584-Y616 WeakPolarHBondContact O-CD2 3.46Å; L585-Y616 HydrophobicContact CD2-CD1 3.93Å; L585-Y616 HydrophobicContact CD2-CD2 3.84Å; L585-Y616 HydrophobicContact CD2-CE1 4.31Å; L585-Y616 HydrophobicContact CD2-CE2 4.2Å; L585-Y616 HydrophobicContact CD2-CG 3.73Å; K586-Y616 CarbonylContact C-O 3.52Å; K586-Y616 PolarHBondContact O-N 2.94Å; R587-Y616 WeakPolarHBondContact CA-O 3.19Å; R587-Y616 PolarHBondContact N-O 3.11Å; T612-Y616 HydrophobicContact CG2-CE2 3.58Å; T612-Y616 WeakPolarHBondContact CG2-OH 3.23Å; Y616-I633 CarbonylContact C-O 3.59Å; Y616-I633 VanDerWaalsContact CA-O 3.29Å; Y616-I633 WeakPolarHBondContact CA-O 3.44Å; Y616-I633 WeakPolarHBondContact CB-O 3.09Å
617	L	94.1	Very high	90.2	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.1	165.3	-55.8	-175.4	0	0	0	108.5	R587 V619 Y632 I633 S638	R587-L617 HydrophobicContact CB-CD2 4.48Å; R587-L617 HydrophobicContact CG-CD2 3.77Å; L617-V619 PolarHBondContact O-N 2.91Å; L617-Y632 CarbonylContact O-C 3.51Å; L617-Y632 WeakPolarHBondContact O-CA 3.41Å; L617-I633 HydrophobicContact CB-CG2 4.2Å; L617-I633 PolarHBondContact N-O 3.22Å; L617-I633 PolarHBondContact O-N 2.94Å; L617-S638 WeakPolarHBondContact CD1-OG 3.45Å
618	R	95.1	Very high	90.6	Very high	91 Å²	91	37 Å²	37	34%	0.343	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	120.1	161.1	-162.1	160.8	77.6	-157.3	21.8	107.3	E571 E578 V630 Y632	E571-R618 IonicContact OE1-NH1 3.69Å; E571-R618 IonicContact OE1-NH2 2.98Å; E578-R618 IonicContact OE1-CZ 3.56Å; E578-R618 IonicContact OE1-NH1 3.27Å; E578-R618 PolarHBondContact OE1-NH1 3.33Å; E578-R618 IonicContact OE2-NH1 3.76Å; R618-V630 HydrophobicContact CG-CG1 3.83Å; R618-Y632 HydrophobicContact CB-CD1 3.96Å; R618-Y632 HydrophobicContact CB-CE1 3.73Å; R618-Y632 WeakPolarHBondContact CD-OH 3.5Å; R618-Y632 HydrophobicContact CG-CD1 4.28Å; R618-Y632 HydrophobicContact CG-CE1 3.83Å
619	V	94.3	Very high	91	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.115	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-61.2	-178.3	176.5	0	0	0	0	108.9	L617 V631 I633 L641 I646 L669	L617-V619 PolarHBondContact O-N 2.91Å; V619-V631 HydrophobicContact CB-CB 4.14Å; V619-V631 HydrophobicContact CB-CG1 3.94Å; V619-V631 HydrophobicContact CG2-CG1 3.93Å; V619-V631 PolarHBondContact N-O 2.92Å; V619-I633 HydrophobicContact CG2-CB 3.63Å; V619-I633 HydrophobicContact CG2-CG2 3.37Å; V619-L641 HydrophobicContact CG1-CD2 4.13Å; V619-L641 HydrophobicContact CG2-CD2 4.17Å; V619-I646 HydrophobicContact CG1-CD1 3.82Å; V619-I646 HydrophobicContact CG1-CG1 4.47Å; V619-L669 HydrophobicContact CG1-CD2 4.03Å
620	E	92.4	Very high	91.6	Very high	83 Å²	83	33 Å²	33	39%	0.388	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.2	178	-101.5	-54	161.8	0	0	111.2	V631 I646 I667	E620-V631 PolarHBondContact O-N 3.49Å; E620-V631 VanDerWaalsContact O-N 3.11Å; E620-I646 HydrophobicContact CB-CG2 4.43Å; E620-I646 HydrophobicContact CG-CG2 3.87Å; E620-I667 HydrophobicContact CB-CD1 4Å
621	R	93	Very high	92.3	Very high	93 Å²	93	24.6 Å²	24.6	35%	0.351	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.1	165.1	59.8	160	167.6	-154.8	-9.9	111.1	E570 E571 M629 V630	E570-R621 WeakPolarHBondContact OE1-CD 3.49Å; E570-R621 IonicContact OE1-CZ 2.71Å; E570-R621 IonicContact OE1-NE 3.47Å; E570-R621 PolarHBondContact OE1-NE 3.18Å; E570-R621 IonicContact OE1-NH1 3.48Å; E570-R621 PolarHBondContact OE1-NH1 3.42Å; E571-R621 IonicContact OE2-CZ 3.27Å; E571-R621 IonicContact OE2-NH1 2.62Å; E571-R621 PolarHBondContact OE2-NH1 3.23Å; E571-R621 IonicContact OE2-NH2 2.73Å; E571-R621 PolarHBondContact OE2-NH2 3.41Å; R621-M629 WeakPolarHBondContact CA-O 3.4Å; R621-V630 HydrophobicContact CB-CG2 4.19Å
622	V	94.2	Very high	92.7	Very high	12 Å²	12	21.9 Å²	21.9	7%	0.073	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.4	175.5	65.1	0	0	0	0	110.2	I628 M629 C648 V650 V665 I667	V622-I628 WeakPolarHBondContact O-CA 3.47Å; V622-M629 HydrophobicContact CG1-CB 3.87Å; V622-M629 HydrophobicContact CG1-CE 3.73Å; V622-M629 PolarHBondContact N-O 3.05Å; V622-M629 PolarHBondContact O-N 3.39Å; V622-C648 HydrophobicContact CB-CB 4.35Å; V622-C648 HydrophobicContact CG2-CB 4.19Å; V622-V650 HydrophobicContact CG2-CG1 3.61Å; V622-V665 HydrophobicContact CB-CB 4.48Å; V622-V665 HydrophobicContact CG1-CB 3.73Å; V622-V665 HydrophobicContact CG1-CG2 3.79Å; V622-V665 HydrophobicContact CG2-CB 4.04Å; V622-I667 HydrophobicContact CB-CD1 4.28Å; V622-I667 HydrophobicContact CB-CG1 4.18Å; V622-I667 HydrophobicContact CG1-CD1 3.78Å; V622-I667 HydrophobicContact CG1-CG1 3.71Å
623	R	91.7	Very high	93	Very high	54 Å²	54	21.9 Å²	21.9	20%	0.204	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.5	-177.1	-176.5	169.3	71.8	62.2	6.4	112.9	N562 T564 E570 A625 I627 I628	N562-R623 PolarHBondContact O-NH1 3.42Å; N562-R623 PolarHBondContact O-NH2 2.8Å; T564-R623 PolarHBondContact OG1-NH2 2.82Å; E570-R623 VanDerWaalsContact OE2-CD 3.27Å; E570-R623 WeakPolarHBondContact OE2-CD 3.23Å; E570-R623 IonicContact OE2-NE 3.37Å; E570-R623 PolarHBondContact OE2-NE 2.86Å; R623-A625 VanDerWaalsContact CD-O 3.25Å; R623-A625 WeakPolarHBondContact CD-O 3.45Å; R623-A625 VanDerWaalsContact CG-O 3.25Å; R623-A625 WeakPolarHBondContact CG-O 3.34Å; R623-A625 PolarHBondContact NH1-O 3.27Å; R623-I627 CarbonylContact C-O 3.54Å; R623-I627 WeakPolarHBondContact CA-O 3.36Å; R623-I628 HydrophobicContact CB-CG1 3.92Å; R623-I628 VanDerWaalsContact CD-CG1 3.5Å; R623-I628 HydrophobicContact CG-CD1 4.15Å; R623-I628 HydrophobicContact CG-CG1 3.46Å; R623-I628 VanDerWaalsContact CG-CG1 3.46Å
624	L	89.5	Confident	93.3	Very high	4 Å²	4	20 Å²	20	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	109.8	168.8	177.4	61.4	0	0	0	108.8	G626 I627 V650 V651 P652 V665	L624-G626 PolarHBondContact O-N 3.23Å; L624-G626 VanDerWaalsContact O-N 3.1Å; L624-I627 HydrophobicContact CD2-CD1 4.33Å; L624-I627 PolarHBondContact N-O 2.73Å; L624-I627 WeakPolarHBondContact O-CA 3.43Å; L624-I627 WeakPolarHBondContact O-CB 3.29Å; L624-I627 WeakPolarHBondContact O-CG1 3.29Å; L624-I627 PolarHBondContact O-N 2.9Å; L624-V650 HydrophobicContact CB-CB 4.28Å; L624-V650 HydrophobicContact CB-CG1 4.29Å; L624-V650 HydrophobicContact CD1-CB 4.45Å; L624-V650 HydrophobicContact CD2-CB 4.37Å; L624-V651 WeakPolarHBondContact CD2-O 3.44Å; L624-P652 HydrophobicContact CD1-CB 4.47Å; L624-P652 HydrophobicContact CD2-CB 4.37Å; L624-V665 HydrophobicContact CB-CG1 3.37Å; L624-V665 HydrophobicContact CD2-CG1 4.48Å
625	A	85.9	Confident	93.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	-112.9	-165.9	0	0	0	0	0	111.4	V558 N562 R623 G660	V558-A625 HydrophobicContact CG1-CB 4.44Å; V558-A625 WeakPolarHBondContact CG1-O 3.42Å; N562-A625 WeakPolarHBondContact OD1-CA 3.37Å; N562-A625 PolarHBondContact OD1-N 3Å; R623-A625 VanDerWaalsContact CD-O 3.25Å; R623-A625 WeakPolarHBondContact CD-O 3.45Å; R623-A625 VanDerWaalsContact CG-O 3.25Å; R623-A625 WeakPolarHBondContact CG-O 3.34Å; R623-A625 PolarHBondContact NH1-O 3.27Å; A625-G660 WeakPolarHBondContact CB-O 3.31Å
626	G	87.2	Confident	93.8	Very high	7 Å²	7	24.9 Å²	24.9	7%	0.072	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	7.4	175.4	0	0	0	0	0	115.3	Q550 E551 M552 L624	Q550-G626 CarbonylContact C-O 3.46Å; E551-G626 PolarHBondContact N-O 3.06Å; E551-G626 VanDerWaalsContact N-O 3.17Å; M552-G626 PolarHBondContact N-O 3.48Å; L624-G626 PolarHBondContact O-N 3.23Å; L624-G626 VanDerWaalsContact O-N 3.1Å
627	I	93.2	Very high	93.9	Very high	2 Å²	2	25 Å²	25	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.7	169.7	-45.2	170.1	0	0	0	107.4	F549 R623 L624 V665 H682	F549-I627 WeakPolarHBondContact O-CA 3.42Å; R623-I627 CarbonylContact C-O 3.54Å; R623-I627 WeakPolarHBondContact CA-O 3.36Å; L624-I627 HydrophobicContact CD2-CD1 4.33Å; L624-I627 PolarHBondContact N-O 2.73Å; L624-I627 WeakPolarHBondContact O-CA 3.43Å; L624-I627 WeakPolarHBondContact O-CB 3.29Å; L624-I627 WeakPolarHBondContact O-CG1 3.29Å; L624-I627 PolarHBondContact O-N 2.9Å; I627-V665 HydrophobicContact CB-CG1 4.3Å; I627-V665 HydrophobicContact CG2-CG1 4.14Å; I627-V665 HydrophobicContact CG2-CG2 3.97Å; I627-H682 HydrophobicContact CD1-CB 3.64Å; I627-H682 HydrophobicContact CG1-CB 3.74Å
628	I	94.3	Very high	93.9	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.9	-175.1	-73.4	161.4	0	0	0	109.6	G548 F549 M552 E570 V622 R623 V630 N680	G548-I628 CarbonylContact C-O 3.6Å; G548-I628 WeakPolarHBondContact CA-O 3.39Å; F549-I628 HydrophobicContact CB-CB 4.47Å; F549-I628 PolarHBondContact N-O 3.09Å; F549-I628 PolarHBondContact O-N 3Å; M552-I628 HydrophobicContact CB-CD1 3.91Å; M552-I628 HydrophobicContact CE-CB 4.27Å; M552-I628 HydrophobicContact CE-CD1 3.78Å; M552-I628 HydrophobicContact CE-CG2 4.34Å; M552-I628 HydrophobicContact CG-CD1 4.17Å; M552-I628 HydrophobicContact SD-CD1 3.32Å; M552-I628 WeakPolarHBondContact SD-CD1 3.02Å; E570-I628 HydrophobicContact CB-CD1 4.16Å; E570-I628 HydrophobicContact CG-CD1 3.99Å; V622-I628 WeakPolarHBondContact O-CA 3.47Å; R623-I628 HydrophobicContact CB-CG1 3.92Å; R623-I628 VanDerWaalsContact CD-CG1 3.5Å; R623-I628 HydrophobicContact CG-CD1 4.15Å; R623-I628 HydrophobicContact CG-CG1 3.46Å; R623-I628 VanDerWaalsContact CG-CG1 3.46Å; I628-V630 HydrophobicContact CG2-CG2 4.02Å; I628-N680 PolarHBondContact O-ND2 2.74Å
629	M	97.1	Very high	93.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.3	167.3	177.8	172.5	52.8	0	0	110.7	V546 F547 R621 V622 V665 I667 F678 N680 F733	V546-M629 HydrophobicContact CG1-CG 4.06Å; V546-M629 HydrophobicContact CG1-SD 3.89Å; F547-M629 VanDerWaalsContact O-CA 3.28Å; F547-M629 WeakPolarHBondContact O-CA 3.36Å; R621-M629 WeakPolarHBondContact CA-O 3.4Å; V622-M629 HydrophobicContact CG1-CB 3.87Å; V622-M629 HydrophobicContact CG1-CE 3.73Å; V622-M629 PolarHBondContact N-O 3.05Å; V622-M629 PolarHBondContact O-N 3.39Å; M629-V665 HydrophobicContact CB-CG2 3.86Å; M629-V665 HydrophobicContact CE-CG2 4.41Å; M629-V665 WeakPolarHBondContact CE-O 3.42Å; M629-I667 HydrophobicContact CE-CB 3.88Å; M629-I667 HydrophobicContact CE-CD1 4.08Å; M629-I667 HydrophobicContact CE-CG1 3.83Å; M629-I667 VanDerWaalsContact CE-N 3.32Å; M629-I667 HydrophobicContact CG-CD1 4.49Å; M629-F678 HydrophobicContact CE-CB 4.27Å; M629-F678 WeakPolarHBondContact CE-O 3.46Å; M629-F678 HydrophobicContact SD-CB 3.73Å; M629-N680 HydrophobicContact CB-CB 4.03Å; M629-N680 HydrophobicContact SD-CB 4.21Å; M629-F733 HydrophobicContact CG-CZ 4.17Å; M629-F733 HydrophobicContact SD-CE1 3.73Å; M629-F733 HydrophobicContact SD-CZ 3.53Å; M629-F733 VanDerWaalsContact SD-CZ 3.53Å
630	V	97	Very high	93.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	177.3	-168.2	0	0	0	0	109.1	F547 I574 R618 R621 I628 Y632	F547-V630 PolarHBondContact N-O 3.5Å; F547-V630 PolarHBondContact O-N 3.48Å; I574-V630 HydrophobicContact CD1-CG2 4.32Å; I574-V630 HydrophobicContact CG1-CG2 4.21Å; R618-V630 HydrophobicContact CG-CG1 3.83Å; R621-V630 HydrophobicContact CB-CG2 4.19Å; I628-V630 HydrophobicContact CG2-CG2 4.02Å; V630-Y632 HydrophobicContact CB-CE2 4.16Å; V630-Y632 HydrophobicContact CG1-CD2 4.14Å; V630-Y632 HydrophobicContact CG1-CE2 3.41Å; V630-Y632 VanDerWaalsContact CG1-CE2 3.41Å
631	V	98.1	Very high	93.9	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.9	-179.6	178.1	0	0	0	0	109.7	I544 V546 V619 E620 I667 L669	I544-V631 HydrophobicContact CG2-CG1 4.1Å; V546-V631 HydrophobicContact CG1-CG2 4.16Å; V546-V631 HydrophobicContact CG2-CG1 4.31Å; V546-V631 HydrophobicContact CG2-CG2 4.16Å; V619-V631 HydrophobicContact CB-CB 4.14Å; V619-V631 HydrophobicContact CB-CG1 3.94Å; V619-V631 HydrophobicContact CG2-CG1 3.93Å; V619-V631 PolarHBondContact N-O 2.92Å; E620-V631 PolarHBondContact O-N 3.49Å; E620-V631 VanDerWaalsContact O-N 3.11Å; V631-I667 HydrophobicContact CG2-CB 4.43Å; V631-I667 HydrophobicContact CG2-CD1 3.81Å; V631-I667 HydrophobicContact CG2-CG2 4.27Å; V631-L669 HydrophobicContact CG1-CD2 4.17Å
632	Y	97.6	Very high	93.9	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.4	173.5	-65.4	-97.3	0	0	0	109.9	I544 Y545 F547 E578 L585 L617 R618 V630	I544-Y632 CarbonylContact C-O 3.58Å; I544-Y632 VanDerWaalsContact CA-O 3.31Å; I544-Y632 WeakPolarHBondContact CA-O 3.27Å; I544-Y632 WeakPolarHBondContact CG2-O 3.32Å; Y545-Y632 PolarHBondContact N-O 3.09Å; Y545-Y632 PolarHBondContact O-N 3.42Å; F547-Y632 HydrophobicContact CD2-CD2 4.04Å; F547-Y632 HydrophobicContact CD2-CE2 4.1Å; F547-Y632 AromaticContact CE2-CD2 3.97Å; F547-Y632 HydrophobicContact CE2-CD2 3.97Å; F547-Y632 HydrophobicContact CE2-CE2 4.24Å; E578-Y632 HydrophobicContact CG-CE1 3.77Å; E578-Y632 WeakPolarHBondContact CG-OH 3.19Å; E578-Y632 WeakPolarHBondContact OE1-CE1 3.43Å; E578-Y632 PolarHBondContact OE1-OH 3.44Å; L585-Y632 HydrophobicContact CB-CD1 4.41Å; L617-Y632 CarbonylContact O-C 3.51Å; L617-Y632 WeakPolarHBondContact O-CA 3.41Å; R618-Y632 HydrophobicContact CB-CD1 3.96Å; R618-Y632 HydrophobicContact CB-CE1 3.73Å; R618-Y632 WeakPolarHBondContact CD-OH 3.5Å; R618-Y632 HydrophobicContact CG-CD1 4.28Å; R618-Y632 HydrophobicContact CG-CE1 3.83Å; V630-Y632 HydrophobicContact CB-CE2 4.16Å; V630-Y632 HydrophobicContact CG1-CD2 4.14Å; V630-Y632 HydrophobicContact CG1-CE2 3.41Å; V630-Y632 VanDerWaalsContact CG1-CE2 3.41Å
633	I	97.5	Very high	93.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.7	176.5	-168.7	166.5	0	0	0	110.2	I544 Y616 L617 V619 A635 L637 L641 I671	I544-I633 HydrophobicContact CG1-CG1 4.27Å; Y616-I633 CarbonylContact C-O 3.59Å; Y616-I633 VanDerWaalsContact CA-O 3.29Å; Y616-I633 WeakPolarHBondContact CA-O 3.44Å; Y616-I633 WeakPolarHBondContact CB-O 3.09Å; L617-I633 HydrophobicContact CB-CG2 4.2Å; L617-I633 PolarHBondContact N-O 3.22Å; L617-I633 PolarHBondContact O-N 2.94Å; V619-I633 HydrophobicContact CG2-CB 3.63Å; V619-I633 HydrophobicContact CG2-CG2 3.37Å; I633-A635 PolarHBondContact O-N 2.93Å; I633-L637 HydrophobicContact CD1-CB 4.22Å; I633-L637 HydrophobicContact CD1-CD2 4.11Å; I633-L637 HydrophobicContact CD1-CG 4Å; I633-L637 HydrophobicContact CG1-CB 4Å; I633-L637 HydrophobicContact CG1-CD2 4.19Å; I633-L637 HydrophobicContact CG1-CG 4.24Å; I633-L641 HydrophobicContact CD1-CB 4.15Å; I633-L641 HydrophobicContact CD1-CD2 4.23Å; I633-L641 HydrophobicContact CG2-CD2 4.29Å; I633-I671 HydrophobicContact CD1-CD1 3.71Å; I633-I671 HydrophobicContact CD1-CG1 4.41Å
634	S	96.1	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141	176.4	66.3	0	0	0	0	110.3	D543 R636 L637 S638	D543-S634 PolarHBondContact O-N 2.92Å; D543-S634 PolarHBondContact O-OG 3.18Å; S634-R636 PolarHBondContact O-N 3Å; S634-L637 PolarHBondContact O-N 3.05Å; S634-L637 VanDerWaalsContact OG-CB 3.3Å; S634-L637 WeakPolarHBondContact OG-CB 3.47Å; S634-L637 PolarHBondContact OG-N 3.46Å; S634-S638 WeakPolarHBondContact O-CB 3.46Å; S634-S638 PolarHBondContact O-N 3.04Å
635	A	93.8	Very high	93.7	Very high	19 Å²	19	28 Å²	28	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-55.6	-37.8	-179.9	0	0	0	0	0	111.8	P588 T612 G613 G615 I633 S638	P588-A635 HydrophobicContact CG-CB 3.71Å; T612-A635 PolarHBondContact O-N 3.36Å; G613-A635 WeakPolarHBondContact O-CB 3.44Å; G615-A635 WeakPolarHBondContact O-CB 3.44Å; G615-A635 PolarHBondContact O-N 2.89Å; I633-A635 PolarHBondContact O-N 2.93Å; A635-S638 PolarHBondContact O-N 2.88Å; A635-S638 PolarHBondContact O-OG 3.26Å
636	R	94.1	Very high	94.2	Very high	99 Å²	99	29.7 Å²	29.7	37%	0.374	15%	0.147	S	C	.	.	H	α-helix	trans	-57.8	-48.4	172.1	175.9	177.4	53.6	63.1	-3.1	113.2	D543 H611 T612 S634	D543-R636 IonicContact OD1-CZ 2.7Å; D543-R636 IonicContact OD1-NH1 3.01Å; D543-R636 PolarHBondContact OD1-NH1 3.22Å; D543-R636 IonicContact OD1-NH2 2.77Å; D543-R636 PolarHBondContact OD1-NH2 3.3Å; H611-R636 PolarHBondContact NE2-NH2 2.91Å; H611-R636 VanDerWaalsContact NE2-NH2 3.16Å; H611-R636 VanDerWaalsContact O-CZ 3.25Å; H611-R636 PolarHBondContact O-NE 3.19Å; H611-R636 PolarHBondContact O-NH2 2.68Å; T612-R636 PolarHBondContact O-N 2.81Å; S634-R636 PolarHBondContact O-N 3Å
637	L	95.8	Very high	94.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-75	-28.5	-179.2	-170.7	62.2	0	0	0	111.7	I508 D543 I544 I633 S634 A639 H640 I671 F672	I508-L637 HydrophobicContact CB-CD2 4.49Å; I508-L637 HydrophobicContact CD1-CD2 3.93Å; I508-L637 HydrophobicContact CG2-CD1 4.2Å; I508-L637 HydrophobicContact CG2-CD2 4.05Å; D543-L637 HydrophobicContact CB-CD2 3.71Å; I544-L637 HydrophobicContact CD1-CD2 4.38Å; I544-L637 HydrophobicContact CG1-CD2 4.13Å; I633-L637 HydrophobicContact CD1-CB 4.22Å; I633-L637 HydrophobicContact CD1-CD2 4.11Å; I633-L637 HydrophobicContact CD1-CG 4Å; I633-L637 HydrophobicContact CG1-CB 4Å; I633-L637 HydrophobicContact CG1-CD2 4.19Å; I633-L637 HydrophobicContact CG1-CG 4.24Å; S634-L637 PolarHBondContact O-N 3.05Å; S634-L637 VanDerWaalsContact OG-CB 3.3Å; S634-L637 WeakPolarHBondContact OG-CB 3.47Å; S634-L637 PolarHBondContact OG-N 3.46Å; L637-A639 PolarHBondContact O-N 2.88Å; L637-H640 PolarHBondContact O-N 2.65Å; L637-I671 HydrophobicContact CD1-CG2 3.93Å; L637-I671 HydrophobicContact CD2-CD1 4.17Å; L637-I671 HydrophobicContact CD2-CG2 4.36Å; L637-I671 HydrophobicContact CG-CG2 4.12Å; L637-F672 HydrophobicContact CD1-CE2 3.97Å; L637-F672 HydrophobicContact CD1-CZ 3.79Å
638	S	95	Very high	94.8	Very high	15 Å²	15	32.1 Å²	32.1	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-19.2	-176.8	84.3	0	0	0	0	115.7	L617 S634 A635 H640	L617-S638 WeakPolarHBondContact CD1-OG 3.45Å; S634-S638 WeakPolarHBondContact O-CB 3.46Å; S634-S638 PolarHBondContact O-N 3.04Å; A635-S638 PolarHBondContact O-N 2.88Å; A635-S638 PolarHBondContact O-OG 3.26Å; S638-H640 PolarHBondContact O-N 2.76Å
639	A	92.6	Very high	94.9	Very high	71 Å²	71	34.8 Å²	34.8	59%	0.587	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.7	172.5	0	0	0	0	0	113.9	L637	L637-A639 PolarHBondContact O-N 2.88Å
640	H	94.4	Very high	94.8	Very high	59 Å²	59	37.5 Å²	37.5	27%	0.273	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	3.5	-179.4	-54.3	96.1	0	0	0	113.2	L637 S638 I671 F672 R850	L637-H640 PolarHBondContact O-N 2.65Å; S638-H640 PolarHBondContact O-N 2.76Å; H640-I671 HydrophobicContact CB-CG2 4.27Å; H640-I671 WeakPolarHBondContact O-CA 3.49Å; H640-F672 HydrophobicContact CB-CD1 3.64Å; H640-F672 HydrophobicContact CB-CE1 3.61Å; H640-F672 HydrophobicContact CB-CG 4.31Å; H640-F672 HydrophobicContact CB-CZ 4.24Å; H640-F672 AromaticContact CD2-CD1 3.57Å; H640-F672 AromaticContact CD2-CE1 3.28Å; H640-F672 WeakPolarHBondContact CD2-CE1 3.38Å; H640-F672 AromaticContact CG-CD1 3.71Å; H640-F672 AromaticContact CG-CE1 3.3Å; H640-F672 AromaticContact ND1-CE1 3.81Å; H640-F672 AromaticContact NE2-CE1 3.73Å; H640-F672 PolarHBondContact O-N 3.17Å; H640-R850 PolarHBondContact NE2-NH1 3.37Å
641	L	95	Very high	94.7	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.3	175.2	173.5	65.6	0	0	0	109.7	V619 I633 R643 I646 L669 I671	V619-L641 HydrophobicContact CG1-CD2 4.13Å; V619-L641 HydrophobicContact CG2-CD2 4.17Å; I633-L641 HydrophobicContact CD1-CB 4.15Å; I633-L641 HydrophobicContact CD1-CD2 4.23Å; I633-L641 HydrophobicContact CG2-CD2 4.29Å; L641-R643 PolarHBondContact O-N 3.25Å; L641-I646 HydrophobicContact CD1-CD1 4.45Å; L641-I646 HydrophobicContact CD1-CG1 4.4Å; L641-I646 HydrophobicContact CD2-CD1 4.13Å; L641-I646 HydrophobicContact CG-CD1 4.36Å; L641-L669 HydrophobicContact CD1-CB 3.99Å; L641-L669 HydrophobicContact CD1-CD1 4.07Å; L641-L669 HydrophobicContact CD1-CD2 4.5Å; L641-L669 HydrophobicContact CD1-CG 4.43Å; L641-I671 HydrophobicContact CB-CG1 4.5Å; L641-I671 HydrophobicContact CD1-CG1 3.91Å
642	R	91.8	Very high	94.3	Very high	51 Å²	51	39.2 Å²	39.2	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	102.5	173.1	-58.6	-172.7	-169.9	-170.3	2.4	108.9	E644 E645 T670 F672 N673	R642-E644 VanDerWaalsContact C-N 3.31Å; R642-E644 VanDerWaalsContact C-OE2 3.29Å; R642-E644 WeakPolarHBondContact CA-OE2 3.43Å; R642-E644 PolarHBondContact O-N 3.22Å; R642-E645 HydrophobicContact CB-CB 3.97Å; R642-E645 HydrophobicContact CB-CG 4.21Å; R642-E645 VanDerWaalsContact CD-CD 3.5Å; R642-E645 WeakPolarHBondContact CD-OE1 3.39Å; R642-E645 IonicContact CZ-OE1 2.69Å; R642-E645 IonicContact NE-OE1 2.79Å; R642-E645 IonicContact NH1-OE1 2.86Å; R642-E645 PolarHBondContact NH1-OE1 3.43Å; R642-E645 PolarHBondContact O-N 3.38Å; R642-T670 HydrophobicContact CG-CG2 4.32Å; R642-T670 PolarHBondContact N-O 3.08Å; R642-F672 PolarHBondContact NE-O 3Å; R642-F672 VanDerWaalsContact NE-O 3.14Å; R642-F672 PolarHBondContact NH2-O 2.85Å; R642-N673 PolarHBondContact NH2-ND2 3.15Å; R642-N673 VanDerWaalsContact NH2-ND2 3.16Å
643	R	91.4	Very high	93.9	Very high	137 Å²	137	39.3 Å²	39.3	52%	0.517	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-29.7	-171	-66.2	179	178.9	-87.4	-5.3	112.2	L641 E645 I646	L641-R643 PolarHBondContact O-N 3.25Å; R643-E645 VanDerWaalsContact C-N 3.3Å; R643-I646 HydrophobicContact CB-CD1 4.43Å
644	E	89	Confident	92.9	Very high	76 Å²	76	39.6 Å²	39.6	36%	0.355	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-18.9	174.9	69.1	-88.2	-134.6	0	0	113.5	R642 P709 N711	R642-E644 VanDerWaalsContact C-N 3.31Å; R642-E644 VanDerWaalsContact C-OE2 3.29Å; R642-E644 WeakPolarHBondContact CA-OE2 3.43Å; R642-E644 PolarHBondContact O-N 3.22Å; E644-P709 HydrophobicContact CB-CG 4.29Å; E644-P709 VanDerWaalsContact O-CD 3.28Å; E644-P709 WeakPolarHBondContact O-CD 3.39Å; E644-P709 WeakPolarHBondContact O-CG 3.34Å; E644-N711 PolarHBondContact OE1-ND2 3.27Å
645	E	91.1	Very high	91.6	Very high	27 Å²	27	42.9 Å²	42.9	13%	0.126	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	3.6	178.8	-75.1	-172.4	-138.1	0	0	113.5	R642 R643 R668 T670 F708	R642-E645 HydrophobicContact CB-CB 3.97Å; R642-E645 HydrophobicContact CB-CG 4.21Å; R642-E645 VanDerWaalsContact CD-CD 3.5Å; R642-E645 WeakPolarHBondContact CD-OE1 3.39Å; R642-E645 IonicContact CZ-OE1 2.69Å; R642-E645 IonicContact NE-OE1 2.79Å; R642-E645 IonicContact NH1-OE1 2.86Å; R642-E645 PolarHBondContact NH1-OE1 3.43Å; R642-E645 PolarHBondContact O-N 3.38Å; R643-E645 VanDerWaalsContact C-N 3.3Å; E645-R668 WeakPolarHBondContact O-CD 3.43Å; E645-R668 PolarHBondContact O-NH1 3.39Å; E645-R668 IonicContact OE2-NH1 2.78Å; E645-T670 WeakPolarHBondContact OE2-CB 3.41Å; E645-T670 PolarHBondContact OE2-OG1 3.29Å; E645-F708 HydrophobicContact CB-CD2 4.5Å; E645-F708 HydrophobicContact CG-CD2 4.05Å; E645-F708 HydrophobicContact CG-CE2 4.43Å
646	I	95.4	Very high	90.2	Very high	35 Å²	35	51 Å²	51	18%	0.179	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.8	172.8	-56.8	168.7	0	0	0	108.3	V619 E620 L641 R643 R668 L669	V619-I646 HydrophobicContact CG1-CD1 3.82Å; V619-I646 HydrophobicContact CG1-CG1 4.47Å; E620-I646 HydrophobicContact CB-CG2 4.43Å; E620-I646 HydrophobicContact CG-CG2 3.87Å; L641-I646 HydrophobicContact CD1-CD1 4.45Å; L641-I646 HydrophobicContact CD1-CG1 4.4Å; L641-I646 HydrophobicContact CD2-CD1 4.13Å; L641-I646 HydrophobicContact CG-CD1 4.36Å; R643-I646 HydrophobicContact CB-CD1 4.43Å; I646-R668 WeakPolarHBondContact CA-O 3.35Å; I646-L669 HydrophobicContact CG1-CB 4.18Å
647	S	96.1	Very high	88.7	Confident	14 Å²	14	48 Å²	48	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139	177.4	-170.3	0	0	0	0	111	I667 R668 F706 E707	S647-I667 WeakPolarHBondContact O-CA 3.23Å; S647-R668 PolarHBondContact N-O 3.09Å; S647-R668 PolarHBondContact O-N 3.25Å; S647-F706 WeakPolarHBondContact O-CD1 3.44Å; S647-E707 VanDerWaalsContact CB-O 3.31Å; S647-E707 WeakPolarHBondContact CB-O 3.34Å; S647-E707 PolarHBondContact OG-N 3.32Å; S647-E707 PolarHBondContact OG-O 3.1Å
648	C	97	Very high	87	Confident	46 Å²	46	53.2 Å²	53.2	31%	0.311	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.5	-176	-58.9	0	0	0	0	109.7	V622 G666	V622-C648 HydrophobicContact CB-CB 4.35Å; V622-C648 HydrophobicContact CG2-CB 4.19Å; C648-G666 CarbonylContact C-O 3.59Å; C648-G666 WeakPolarHBondContact CA-O 3.46Å
649	Q	96.2	Very high	85.8	Confident	61 Å²	61	55.8 Å²	55.8	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.8	177.3	-83.6	-63.4	1.9	0	0	113.2	V665 G666 M704 L705 F706	Q649-V665 WeakPolarHBondContact O-CA 3.33Å; Q649-G666 PolarHBondContact N-O 3.02Å; Q649-G666 PolarHBondContact O-N 2.83Å; Q649-M704 HydrophobicContact CB-CG 3.84Å; Q649-L705 WeakPolarHBondContact CG-O 3.08Å; Q649-L705 PolarHBondContact NE2-O 3.17Å; Q649-F706 HydrophobicContact CB-CD1 4.06Å; Q649-F706 HydrophobicContact CB-CE1 3.91Å; Q649-F706 HydrophobicContact CG-CD1 3.87Å; Q649-F706 HydrophobicContact CG-CE1 4.26Å; Q649-F706 HydrophobicContact CG-CG 4.37Å
650	V	95.1	Very high	84.8	Confident	58 Å²	58	52.7 Å²	52.7	35%	0.352	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.1	177.5	-58.8	0	0	0	0	110.9	V622 L624 V665	V622-V650 HydrophobicContact CG2-CG1 3.61Å; L624-V650 HydrophobicContact CB-CB 4.28Å; L624-V650 HydrophobicContact CB-CG1 4.29Å; L624-V650 HydrophobicContact CD1-CB 4.45Å; L624-V650 HydrophobicContact CD2-CB 4.37Å; V650-V665 HydrophobicContact CG1-CB 4.43Å; V650-V665 HydrophobicContact CG1-CG1 3.95Å
651	V	95	Very high	84.1	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	106.5	176.7	-178.8	0	0	0	0	109.9	L624 T653 G663 G664 I700 K703 M704	L624-V651 WeakPolarHBondContact CD2-O 3.44Å; V651-T653 HydrophobicContact CG1-CG2 4.22Å; V651-G663 CarbonylContact O-C 3.45Å; V651-G663 WeakPolarHBondContact O-CA 3.44Å; V651-G664 PolarHBondContact N-O 3.06Å; V651-G664 PolarHBondContact O-N 2.9Å; V651-I700 HydrophobicContact CB-CG1 4.24Å; V651-I700 HydrophobicContact CG1-CG1 4.21Å; V651-K703 HydrophobicContact CG1-CB 3.87Å; V651-K703 HydrophobicContact CG1-CD 3.69Å; V651-K703 HydrophobicContact CG1-CG 4.43Å; V651-K703 HydrophobicContact CG2-CB 3.78Å; V651-M704 HydrophobicContact CG2-CB 3.9Å; V651-M704 HydrophobicContact CG2-CE 4.14Å
652	P	91	Very high	83.9	Confident	34 Å²	34	52.9 Å²	52.9	22%	0.221	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.7	170.7	28.2	-32.2	0	0	0	111.7	L624 V658 M659	L624-P652 HydrophobicContact CD1-CB 4.47Å; L624-P652 HydrophobicContact CD2-CB 4.37Å; P652-V658 WeakPolarHBondContact CB-O 3.39Å; P652-M659 WeakPolarHBondContact CB-O 3.34Å
653	T	88.3	Confident	84	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	26%	0.26	C	S	.	.			trans	-131.4	18.8	170.8	72.9	0	0	0	0	111.3	V651 K662 G663 R692 D696 E699 I700	V651-T653 HydrophobicContact CG1-CG2 4.22Å; T653-K662 CarbonylContact C-O 3.5Å; T653-K662 PolarHBondContact N-O 3.46Å; T653-G663 VanDerWaalsContact OG1-CA 3.29Å; T653-G663 WeakPolarHBondContact OG1-CA 3.14Å; T653-G663 PolarHBondContact OG1-N 3.48Å; T653-R692 PolarHBondContact O-NH2 3.41Å; T653-D696 VanDerWaalsContact CB-OD1 3.31Å; T653-D696 WeakPolarHBondContact CB-OD1 3.39Å; T653-D696 HydrophobicContact CG2-CB 4.27Å; T653-D696 WeakPolarHBondContact OG1-CB 3.37Å; T653-D696 PolarHBondContact OG1-OD1 3.03Å; T653-E699 HydrophobicContact CG2-CB 4.07Å; T653-I700 HydrophobicContact CG2-CD1 4.34Å; T653-I700 HydrophobicContact CG2-CG1 3.88Å
654	G	76.1	Confident	84.3	Confident	7 Å²	7	44 Å²	44	7%	0.072	24%	0.235	C	C	.	.	S	Bend	trans	-74.7	-145.6	174	0	0	0	0	0	112.8	F656 N657 M659 N661 K662 R692	G654-F656 PolarHBondContact O-N 3.45Å; G654-N657 PolarHBondContact O-N 3.49Å; G654-M659 VanDerWaalsContact CA-O 3.23Å; G654-M659 WeakPolarHBondContact CA-O 3.34Å; G654-M659 PolarHBondContact N-O 2.99Å; G654-M659 VanDerWaalsContact N-O 3.08Å; G654-N661 VanDerWaalsContact CA-OD1 3.28Å; G654-N661 WeakPolarHBondContact CA-OD1 3.47Å; G654-K662 PolarHBondContact N-O 2.81Å; G654-R692 PolarHBondContact O-NH2 2.93Å
655	V	69	Low	84.6	Confident	69 Å²	69	40.3 Å²	40.3	42%	0.418	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-54.8	128.1	-177.9	-171.1	0	0	0	0	110.5	N657 V658 M659 N661	V655-N657 PolarHBondContact O-N 3.44Å; V655-N657 VanDerWaalsContact O-N 3.1Å; V655-V658 PolarHBondContact O-N 3.24Å; V655-M659 HydrophobicContact CB-CB 4.14Å; V655-M659 HydrophobicContact CB-CG 4.11Å; V655-M659 HydrophobicContact CB-SD 3.81Å; V655-M659 HydrophobicContact CG1-SD 4.45Å; V655-M659 HydrophobicContact CG2-SD 4.13Å; V655-M659 PolarHBondContact O-N 3.21Å; V655-M659 VanDerWaalsContact O-N 3.08Å; V655-N661 PolarHBondContact N-OD1 3.13Å; V655-N661 VanDerWaalsContact N-OD1 3.14Å
656	F	64.4	Low	85	Confident	189 Å²	189	39 Å²	39	83%	0.829	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	53.1	18	-172.8	-57.9	-63.5	0	0	0	116.6	G654 V658	G654-F656 PolarHBondContact O-N 3.45Å; F656-V658 PolarHBondContact O-N 3.21Å
657	N	63.1	Low	85.1	Confident	38 Å²	38	37.4 Å²	37.4	20%	0.203	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	59.3	25.7	-169.5	-53.5	12.3	0	0	0	113.1	G654 V655 R692	G654-N657 PolarHBondContact O-N 3.49Å; V655-N657 PolarHBondContact O-N 3.44Å; V655-N657 VanDerWaalsContact O-N 3.1Å; N657-R692 VanDerWaalsContact OD1-CZ 3.31Å; N657-R692 PolarHBondContact OD1-NH1 3.21Å; N657-R692 PolarHBondContact OD1-NH2 3.41Å
658	V	60.8	Low	85.2	Confident	111 Å²	111	37.2 Å²	37.2	67%	0.673	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-38.3	179.8	-179.4	0	0	0	0	111.8	P652 V655 F656	P652-V658 WeakPolarHBondContact CB-O 3.39Å; V655-V658 PolarHBondContact O-N 3.24Å; F656-V658 PolarHBondContact O-N 3.21Å
659	M	68.6	Low	85.2	Confident	70 Å²	70	35.1 Å²	35.1	35%	0.345	19%	0.187	S	C	.	.	S	Bend	trans	-77.5	143.7	179.2	-65.7	-170.3	177.9	0	0	112.4	T560 P652 G654 V655 N661	T560-M659 HydrophobicContact CG2-CE 4.33Å; P652-M659 WeakPolarHBondContact CB-O 3.34Å; G654-M659 VanDerWaalsContact CA-O 3.23Å; G654-M659 WeakPolarHBondContact CA-O 3.34Å; G654-M659 PolarHBondContact N-O 2.99Å; G654-M659 VanDerWaalsContact N-O 3.08Å; V655-M659 HydrophobicContact CB-CB 4.14Å; V655-M659 HydrophobicContact CB-CG 4.11Å; V655-M659 HydrophobicContact CB-SD 3.81Å; V655-M659 HydrophobicContact CG1-SD 4.45Å; V655-M659 HydrophobicContact CG2-SD 4.13Å; V655-M659 PolarHBondContact O-N 3.21Å; V655-M659 VanDerWaalsContact O-N 3.08Å; M659-N661 VanDerWaalsContact C-N 3.27Å; M659-N661 WeakPolarHBondContact CB-OD1 3.22Å; M659-N661 PolarHBondContact O-N 3.41Å
660	G	72.8	Confident	85.1	Confident	5 Å²	5	32.4 Å²	32.4	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	4.2	-176	0	0	0	0	0	115.6	A625 K662	A625-G660 WeakPolarHBondContact CB-O 3.31Å; G660-K662 PolarHBondContact O-N 2.83Å
661	N	79.7	Confident	85.1	Confident	51 Å²	51	29.7 Å²	29.7	27%	0.273	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.4	-175.4	69.6	-77.6	0	0	0	114.4	I559 G654 V655 M659	I559-N661 HydrophobicContact CG2-CB 4.03Å; G654-N661 VanDerWaalsContact CA-OD1 3.28Å; G654-N661 WeakPolarHBondContact CA-OD1 3.47Å; V655-N661 PolarHBondContact N-OD1 3.13Å; V655-N661 VanDerWaalsContact N-OD1 3.14Å; M659-N661 VanDerWaalsContact C-N 3.27Å; M659-N661 WeakPolarHBondContact CB-OD1 3.22Å; M659-N661 PolarHBondContact O-N 3.41Å
662	K	89.7	Confident	85	Confident	26 Å²	26	30.6 Å²	30.6	11%	0.113	16%	0.162	C	C	.	.	S	Bend	trans	-142.5	156.1	165.4	-62.7	-60.1	-175.4	-138	0	107.4	E551 T653 G654 G660 H682 L683	E551-K662 IonicContact OE1-NZ 3.24Å; E551-K662 PolarHBondContact OE1-NZ 2.98Å; T653-K662 CarbonylContact C-O 3.5Å; T653-K662 PolarHBondContact N-O 3.46Å; G654-K662 PolarHBondContact N-O 2.81Å; G660-K662 PolarHBondContact O-N 2.83Å; K662-H682 CarbonylContact C-O 3.57Å; K662-H682 VanDerWaalsContact CA-O 3.28Å; K662-H682 WeakPolarHBondContact CA-O 3.45Å; K662-H682 VanDerWaalsContact CB-O 3.27Å; K662-H682 WeakPolarHBondContact CB-O 3.28Å; K662-H682 WeakPolarHBondContact CD-O 3.16Å; K662-H682 PolarHBondContact NZ-CE1 3.21Å; K662-H682 PolarHBondContact NZ-NE2 3.07Å; K662-L683 WeakPolarHBondContact CD-O 3.29Å
663	G	94.5	Very high	85	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-155.5	-175.3	0	0	0	0	0	113.4	V651 T653 C681 H682 I700	V651-G663 CarbonylContact O-C 3.45Å; V651-G663 WeakPolarHBondContact O-CA 3.44Å; T653-G663 VanDerWaalsContact OG1-CA 3.29Å; T653-G663 WeakPolarHBondContact OG1-CA 3.14Å; T653-G663 PolarHBondContact OG1-N 3.48Å; G663-C681 WeakPolarHBondContact O-CA 3.33Å; G663-H682 PolarHBondContact N-O 2.98Å; G663-H682 PolarHBondContact O-N 2.77Å; G663-I700 VanDerWaalsContact C-CD1 3.48Å
664	G	96.6	Very high	85.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.9	173.5	0	0	0	0	0	112.8	V651 N680	V651-G664 PolarHBondContact N-O 3.06Å; V651-G664 PolarHBondContact O-N 2.9Å; G664-N680 CarbonylContact C-O 3.59Å; G664-N680 VanDerWaalsContact CA-O 3.28Å; G664-N680 WeakPolarHBondContact CA-O 3.38Å
665	V	97.3	Very high	86.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.2	172.8	-56.8	0	0	0	0	109.4	V622 L624 I627 M629 Q649 V650 V679 N680	V622-V665 HydrophobicContact CB-CB 4.48Å; V622-V665 HydrophobicContact CG1-CB 3.73Å; V622-V665 HydrophobicContact CG1-CG2 3.79Å; V622-V665 HydrophobicContact CG2-CB 4.04Å; L624-V665 HydrophobicContact CB-CG1 3.37Å; L624-V665 HydrophobicContact CD2-CG1 4.48Å; I627-V665 HydrophobicContact CB-CG1 4.3Å; I627-V665 HydrophobicContact CG2-CG1 4.14Å; I627-V665 HydrophobicContact CG2-CG2 3.97Å; M629-V665 HydrophobicContact CB-CG2 3.86Å; M629-V665 HydrophobicContact CE-CG2 4.41Å; M629-V665 WeakPolarHBondContact CE-O 3.42Å; Q649-V665 WeakPolarHBondContact O-CA 3.33Å; V650-V665 HydrophobicContact CG1-CB 4.43Å; V650-V665 HydrophobicContact CG1-CG1 3.95Å; V665-V679 CarbonylContact O-C 3.51Å; V665-V679 WeakPolarHBondContact O-CA 3.2Å; V665-N680 HydrophobicContact CG2-CB 3.85Å; V665-N680 PolarHBondContact N-O 3Å; V665-N680 PolarHBondContact O-N 2.82Å
666	G	98.2	Very high	87.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.6	-173.4	0	0	0	0	0	112.4	C648 Q649 F678	C648-G666 CarbonylContact C-O 3.59Å; C648-G666 WeakPolarHBondContact CA-O 3.46Å; Q649-G666 PolarHBondContact N-O 3.02Å; Q649-G666 PolarHBondContact O-N 2.83Å; G666-F678 CarbonylContact C-O 3.59Å; G666-F678 VanDerWaalsContact CA-O 3.27Å; G666-F678 WeakPolarHBondContact CA-O 3.39Å
667	I	98.5	Very high	89.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.3	165.4	-72.1	168.7	0	0	0	106.8	E620 V622 M629 V631 S647 L669 F678	E620-I667 HydrophobicContact CB-CD1 4Å; V622-I667 HydrophobicContact CB-CD1 4.28Å; V622-I667 HydrophobicContact CB-CG1 4.18Å; V622-I667 HydrophobicContact CG1-CD1 3.78Å; V622-I667 HydrophobicContact CG1-CG1 3.71Å; M629-I667 HydrophobicContact CE-CB 3.88Å; M629-I667 HydrophobicContact CE-CD1 4.08Å; M629-I667 HydrophobicContact CE-CG1 3.83Å; M629-I667 VanDerWaalsContact CE-N 3.32Å; M629-I667 HydrophobicContact CG-CD1 4.49Å; V631-I667 HydrophobicContact CG2-CB 4.43Å; V631-I667 HydrophobicContact CG2-CD1 3.81Å; V631-I667 HydrophobicContact CG2-CG2 4.27Å; S647-I667 WeakPolarHBondContact O-CA 3.23Å; I667-L669 HydrophobicContact CG2-CD2 4.38Å; I667-F678 PolarHBondContact N-O 2.81Å; I667-F678 PolarHBondContact O-N 3.26Å
668	R	96.9	Very high	90.8	Very high	11 Å²	11	17.9 Å²	17.9	4%	0.042	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.6	165.9	72.8	87.5	67.2	-176.5	0.6	111.1	E645 I646 S647 T670 L676 F706 F708 H727	E645-R668 WeakPolarHBondContact O-CD 3.43Å; E645-R668 PolarHBondContact O-NH1 3.39Å; E645-R668 IonicContact OE2-NH1 2.78Å; I646-R668 WeakPolarHBondContact CA-O 3.35Å; S647-R668 PolarHBondContact N-O 3.09Å; S647-R668 PolarHBondContact O-N 3.25Å; R668-T670 PolarHBondContact NH1-OG1 2.97Å; R668-L676 CarbonylContact C-O 3.3Å; R668-L676 VanDerWaalsContact CA-O 3.25Å; R668-L676 WeakPolarHBondContact CA-O 3.28Å; R668-F706 HydrophobicContact CB-CD1 4.1Å; R668-F706 HydrophobicContact CB-CD2 4.22Å; R668-F706 HydrophobicContact CB-CE1 4.17Å; R668-F706 HydrophobicContact CB-CE2 4.31Å; R668-F706 HydrophobicContact CB-CG 4.12Å; R668-F706 HydrophobicContact CB-CZ 4.27Å; R668-F706 HydrophobicContact CG-CB 3.63Å; R668-F706 HydrophobicContact CG-CD1 3.52Å; R668-F706 HydrophobicContact CG-CD2 3.95Å; R668-F706 HydrophobicContact CG-CE1 4.1Å; R668-F706 HydrophobicContact CG-CE2 4.48Å; R668-F706 HydrophobicContact CG-CG 3.42Å; R668-F706 VanDerWaalsContact CG-CG 3.42Å; R668-F708 VanDerWaalsContact CZ-CE1 3.45Å; R668-H727 WeakPolarHBondContact CB-NE2 3.24Å; R668-H727 PolarHBondContact NE-NE2 3.29Å; R668-H727 PolarHBondContact NH2-NE2 2.88Å
669	L	96.8	Very high	92.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.9	179.2	57.2	85.2	0	0	0	111	V619 V631 L641 I646 I667 I671 L676 F678	V619-L669 HydrophobicContact CG1-CD2 4.03Å; V631-L669 HydrophobicContact CG1-CD2 4.17Å; L641-L669 HydrophobicContact CD1-CB 3.99Å; L641-L669 HydrophobicContact CD1-CD1 4.07Å; L641-L669 HydrophobicContact CD1-CD2 4.5Å; L641-L669 HydrophobicContact CD1-CG 4.43Å; I646-L669 HydrophobicContact CG1-CB 4.18Å; I667-L669 HydrophobicContact CG2-CD2 4.38Å; L669-I671 HydrophobicContact CD1-CD1 3.62Å; L669-I671 HydrophobicContact CD1-CG1 3.71Å; L669-L676 HydrophobicContact CD1-CB 4.01Å; L669-L676 HydrophobicContact CD1-CD1 4.02Å; L669-L676 HydrophobicContact CD1-CG 4.3Å; L669-L676 HydrophobicContact CG-CB 4.48Å; L669-L676 PolarHBondContact N-O 2.9Å; L669-L676 PolarHBondContact O-N 2.92Å; L669-F678 HydrophobicContact CD2-CE2 4.31Å; L669-F678 HydrophobicContact CG-CE2 4.44Å
670	T	95	Very high	94	Very high	5 Å²	5	9.3 Å²	9.3	3%	0.031	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.3	178.5	-57.8	0	0	0	0	110.6	R642 E645 R668 S674	R642-T670 HydrophobicContact CG-CG2 4.32Å; R642-T670 PolarHBondContact N-O 3.08Å; E645-T670 WeakPolarHBondContact OE2-CB 3.41Å; E645-T670 PolarHBondContact OE2-OG1 3.29Å; R668-T670 PolarHBondContact NH1-OG1 2.97Å; T670-S674 WeakPolarHBondContact CA-O 3.5Å
671	I	95.1	Very high	95.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.7	177.9	-60	171.1	0	0	0	108.7	I544 I633 L637 H640 L641 L669 N673 S674 L676 L848	I544-I671 HydrophobicContact CD1-CD1 3.55Å; I544-I671 HydrophobicContact CG1-CD1 4.49Å; I633-I671 HydrophobicContact CD1-CD1 3.71Å; I633-I671 HydrophobicContact CD1-CG1 4.41Å; L637-I671 HydrophobicContact CD1-CG2 3.93Å; L637-I671 HydrophobicContact CD2-CD1 4.17Å; L637-I671 HydrophobicContact CD2-CG2 4.36Å; L637-I671 HydrophobicContact CG-CG2 4.12Å; H640-I671 HydrophobicContact CB-CG2 4.27Å; H640-I671 WeakPolarHBondContact O-CA 3.49Å; L641-I671 HydrophobicContact CB-CG1 4.5Å; L641-I671 HydrophobicContact CD1-CG1 3.91Å; L669-I671 HydrophobicContact CD1-CD1 3.62Å; L669-I671 HydrophobicContact CD1-CG1 3.71Å; I671-N673 PolarHBondContact O-N 3.39Å; I671-S674 PolarHBondContact N-O 2.97Å; I671-S674 PolarHBondContact O-N 3.13Å; I671-L676 HydrophobicContact CD1-CD1 4.19Å; I671-L848 HydrophobicContact CB-CD1 3.88Å; I671-L848 HydrophobicContact CG2-CD1 3.79Å
672	F	92.3	Very high	96.1	Very high	24 Å²	24	6.7 Å²	6.7	11%	0.105	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-95.1	-166.1	-44.4	-78.1	0	0	0	112.5	K506 L637 H640 R642 L848 R849 R850	K506-F672 HydrophobicContact CB-CE2 3.94Å; K506-F672 HydrophobicContact CB-CZ 4.22Å; K506-F672 HydrophobicContact CG-CZ 4.37Å; L637-F672 HydrophobicContact CD1-CE2 3.97Å; L637-F672 HydrophobicContact CD1-CZ 3.79Å; H640-F672 HydrophobicContact CB-CD1 3.64Å; H640-F672 HydrophobicContact CB-CE1 3.61Å; H640-F672 HydrophobicContact CB-CG 4.31Å; H640-F672 HydrophobicContact CB-CZ 4.24Å; H640-F672 AromaticContact CD2-CD1 3.57Å; H640-F672 AromaticContact CD2-CE1 3.28Å; H640-F672 WeakPolarHBondContact CD2-CE1 3.38Å; H640-F672 AromaticContact CG-CD1 3.71Å; H640-F672 AromaticContact CG-CE1 3.3Å; H640-F672 AromaticContact ND1-CE1 3.81Å; H640-F672 AromaticContact NE2-CE1 3.73Å; H640-F672 PolarHBondContact O-N 3.17Å; R642-F672 PolarHBondContact NE-O 3Å; R642-F672 VanDerWaalsContact NE-O 3.14Å; R642-F672 PolarHBondContact NH2-O 2.85Å; F672-L848 HydrophobicContact CD2-CB 4.01Å; F672-L848 HydrophobicContact CD2-CD1 4.09Å; F672-L848 HydrophobicContact CE2-CB 4.35Å; F672-L848 HydrophobicContact CE2-CD1 4.19Å; F672-R849 WeakPolarHBondContact CB-O 3.16Å; F672-R850 HydrophobicContact CB-CB 3.87Å; F672-R850 HydrophobicContact CB-CG 4.26Å; F672-R850 HydrophobicContact CD1-CB 4.04Å; F672-R850 HydrophobicContact CD1-CG 3.92Å; F672-R850 HydrophobicContact CG-CB 3.93Å; F672-R850 HydrophobicContact CG-CG 4.27Å
673	N	90.9	Very high	96.4	Very high	53 Å²	53	5.5 Å²	5.5	28%	0.283	3%	0.029	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	19.9	179.2	-60.3	92.2	0	0	0	112	R642 I671 R849 I851	R642-N673 PolarHBondContact NH2-ND2 3.15Å; R642-N673 VanDerWaalsContact NH2-ND2 3.16Å; I671-N673 PolarHBondContact O-N 3.39Å; N673-R849 CarbonylContact C-O 3.56Å; N673-R849 WeakPolarHBondContact CA-O 3.37Å; N673-R849 WeakPolarHBondContact CB-O 3.33Å; N673-R849 PolarHBondContact N-O 3.36Å; N673-I851 HydrophobicContact CB-CD1 4.36Å; N673-I851 HydrophobicContact CB-CG1 4.17Å; N673-I851 WeakPolarHBondContact OD1-CB 3.39Å; N673-I851 PolarHBondContact OD1-N 2.88Å
674	S	93.4	Very high	96.3	Very high	6 Å²	6	6 Å²	6	4%	0.042	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.8	171.9	-71.6	0	0	0	0	110.5	T670 I671 R849	T670-S674 WeakPolarHBondContact CA-O 3.5Å; I671-S674 PolarHBondContact N-O 2.97Å; I671-S674 PolarHBondContact O-N 3.13Å; S674-R849 WeakPolarHBondContact OG-CB 3.46Å; S674-R849 PolarHBondContact OG-N 3.27Å
675	S	95.1	Very high	96	Very high	13 Å²	13	7.7 Å²	7.7	9%	0.091	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.4	-178.7	63	0	0	0	0	110.7	H727 D728 I729	S675-H727 WeakPolarHBondContact OG-CA 3.41Å; S675-D728 WeakPolarHBondContact CB-OD2 3.38Å; S675-D728 PolarHBondContact N-OD2 2.8Å; S675-D728 PolarHBondContact O-N 2.69Å; S675-D728 PolarHBondContact OG-N 2.82Å; S675-D728 VanDerWaalsContact OG-N 3.07Å; S675-D728 PolarHBondContact OG-OD2 3.31Å; S675-I729 PolarHBondContact O-N 3.45Å
676	L	97.6	Very high	95.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.8	-178.5	-57.9	-177.4	0	0	0	109	I510 I544 R668 L669 I671 F678 I729 L848	I510-L676 HydrophobicContact CD1-CD1 3.98Å; I544-L676 HydrophobicContact CD1-CD1 3.79Å; R668-L676 CarbonylContact C-O 3.3Å; R668-L676 VanDerWaalsContact CA-O 3.25Å; R668-L676 WeakPolarHBondContact CA-O 3.28Å; L669-L676 HydrophobicContact CD1-CB 4.01Å; L669-L676 HydrophobicContact CD1-CD1 4.02Å; L669-L676 HydrophobicContact CD1-CG 4.3Å; L669-L676 HydrophobicContact CG-CB 4.48Å; L669-L676 PolarHBondContact N-O 2.9Å; L669-L676 PolarHBondContact O-N 2.92Å; I671-L676 HydrophobicContact CD1-CD1 4.19Å; L676-F678 HydrophobicContact CB-CE2 3.85Å; L676-F678 HydrophobicContact CB-CZ 4.16Å; L676-F678 HydrophobicContact CD1-CE2 4.35Å; L676-F678 HydrophobicContact CD1-CZ 4.15Å; L676-I729 WeakPolarHBondContact CA-O 3.25Å; L676-I729 HydrophobicContact CD2-CB 3.74Å; L676-I729 HydrophobicContact CD2-CD1 3.71Å; L676-I729 HydrophobicContact CD2-CG1 4.34Å; L676-I729 HydrophobicContact CD2-CG2 4.25Å; L676-L848 HydrophobicContact CD1-CD2 4.46Å; L676-L848 HydrophobicContact CD2-CD2 3.89Å; L676-L848 HydrophobicContact CG-CD2 4.49Å
677	C	98.2	Very high	94.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.2	170.6	-170	0	0	0	0	110.2	F706 H727 I729 I730 F731	C677-F706 VanDerWaalsContact SG-CE2 3.52Å; C677-H727 HydrophobicContact CB-CB 3.96Å; C677-I729 PolarHBondContact N-O 2.85Å; C677-I730 HydrophobicContact CB-CG1 4.36Å; C677-I730 HydrophobicContact CB-CG2 4.44Å; C677-I730 CarbonylContact O-C 3.57Å; C677-I730 WeakPolarHBondContact O-CA 3.48Å; C677-F731 PolarHBondContact O-N 3.33Å
678	F	98.7	Very high	94.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.9	173.1	-57.3	-81.5	0	0	0	108.6	I510 I544 V546 M629 G666 I667 L669 L676 F731 F733	I510-F678 HydrophobicContact CD1-CZ 4.28Å; I510-F678 HydrophobicContact CG2-CE1 4.05Å; I510-F678 HydrophobicContact CG2-CZ 4.35Å; I544-F678 HydrophobicContact CG2-CZ 4.48Å; V546-F678 HydrophobicContact CB-CD1 4.35Å; V546-F678 HydrophobicContact CG1-CB 4.3Å; V546-F678 HydrophobicContact CG1-CD1 4.14Å; V546-F678 HydrophobicContact CG1-CG 4.28Å; V546-F678 HydrophobicContact CG2-CD1 3.74Å; V546-F678 HydrophobicContact CG2-CD2 4.42Å; V546-F678 HydrophobicContact CG2-CE1 3.65Å; V546-F678 HydrophobicContact CG2-CE2 4.35Å; V546-F678 HydrophobicContact CG2-CG 4.13Å; V546-F678 HydrophobicContact CG2-CZ 3.97Å; M629-F678 HydrophobicContact CE-CB 4.27Å; M629-F678 WeakPolarHBondContact CE-O 3.46Å; M629-F678 HydrophobicContact SD-CB 3.73Å; G666-F678 CarbonylContact C-O 3.59Å; G666-F678 VanDerWaalsContact CA-O 3.27Å; G666-F678 WeakPolarHBondContact CA-O 3.39Å; I667-F678 PolarHBondContact N-O 2.81Å; I667-F678 PolarHBondContact O-N 3.26Å; L669-F678 HydrophobicContact CD2-CE2 4.31Å; L669-F678 HydrophobicContact CG-CE2 4.44Å; L676-F678 HydrophobicContact CB-CE2 3.85Å; L676-F678 HydrophobicContact CB-CZ 4.16Å; L676-F678 HydrophobicContact CD1-CE2 4.35Å; L676-F678 HydrophobicContact CD1-CZ 4.15Å; F678-F731 CarbonylContact C-O 3.57Å; F678-F731 HydrophobicContact CD1-CB 3.9Å; F678-F731 AromaticContact CD1-CD2 3.68Å; F678-F731 HydrophobicContact CD1-CD2 3.68Å; F678-F731 HydrophobicContact CD1-CG 4.09Å; F678-F731 HydrophobicContact CE1-CB 4.4Å; F678-F731 AromaticContact CE1-CD2 3.34Å; F678-F731 HydrophobicContact CE1-CD2 3.34Å; F678-F731 AromaticContact CE1-CE2 3.83Å; F678-F731 HydrophobicContact CE1-CE2 3.83Å; F678-F731 HydrophobicContact CE1-CG 4.08Å; F678-F731 HydrophobicContact CZ-CD2 4.23Å; F678-F731 HydrophobicContact CZ-CE2 4.45Å; F678-F733 HydrophobicContact CB-CE1 4.31Å
679	V	98.7	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	105.3	-175.6	-170.3	0	0	0	0	109.5	V665 I700 M704 I724 F731 V732 F733	V665-V679 CarbonylContact O-C 3.51Å; V665-V679 WeakPolarHBondContact O-CA 3.2Å; V679-I700 HydrophobicContact CG1-CG2 4.18Å; V679-M704 HydrophobicContact CG1-CE 4.18Å; V679-M704 HydrophobicContact CG1-SD 3.94Å; V679-M704 HydrophobicContact CG2-SD 4.12Å; V679-I724 HydrophobicContact CG1-CD1 4.44Å; V679-I724 HydrophobicContact CG2-CD1 4.12Å; V679-I724 HydrophobicContact CG2-CG2 4.07Å; V679-F731 PolarHBondContact N-O 2.92Å; V679-V732 HydrophobicContact CB-CG2 4.14Å; V679-V732 HydrophobicContact CG2-CG2 4.41Å; V679-F733 WeakPolarHBondContact O-CD1 3.39Å; V679-F733 PolarHBondContact O-N 2.83Å
680	N	98.7	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.5	171.3	175	19.3	0	0	0	109.6	G548 F549 Q550 I628 M629 G664 V665 F733	G548-N680 WeakPolarHBondContact CA-ND2 3.47Å; F549-N680 PolarHBondContact N-ND2 3.34Å; F549-N680 PolarHBondContact O-ND2 2.94Å; Q550-N680 PolarHBondContact NE2-OD1 2.7Å; I628-N680 PolarHBondContact O-ND2 2.74Å; M629-N680 HydrophobicContact CB-CB 4.03Å; M629-N680 HydrophobicContact SD-CB 4.21Å; G664-N680 CarbonylContact C-O 3.59Å; G664-N680 VanDerWaalsContact CA-O 3.28Å; G664-N680 WeakPolarHBondContact CA-O 3.38Å; V665-N680 HydrophobicContact CG2-CB 3.85Å; V665-N680 PolarHBondContact N-O 3Å; V665-N680 PolarHBondContact O-N 2.82Å; N680-F733 CarbonylContact C-O 3.51Å; N680-F733 VanDerWaalsContact CA-O 3.32Å; N680-F733 WeakPolarHBondContact CA-O 3.28Å; N680-F733 HydrophobicContact CB-CE1 4.17Å; N680-F733 HydrophobicContact CB-CE2 4.28Å; N680-F733 HydrophobicContact CB-CZ 3.91Å
681	C	98.3	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	155.2	-177.9	-73.2	0	0	0	0	112.7	G663 L683 F733 G734 D735 L736	G663-C681 WeakPolarHBondContact O-CA 3.33Å; C681-L683 HydrophobicContact CB-CD2 4.09Å; C681-L683 HydrophobicContact CB-CG 4.39Å; C681-F733 PolarHBondContact N-O 3.32Å; C681-G734 WeakPolarHBondContact O-CA 3.39Å; C681-D735 PolarHBondContact O-N 2.93Å; C681-L736 HydrophobicContact CB-CD2 3.5Å
682	H	97.6	Very high	93.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	97.7	166.8	-172	-167.1	0	0	0	108.7	Q550 E551 I627 K662 G663 D735	Q550-H682 HydrophobicContact CB-CB 4.36Å; Q550-H682 HydrophobicContact CG-CB 3.93Å; E551-H682 WeakPolarHBondContact CG-CE1 3.14Å; E551-H682 IonicContact OE1-CE1 3.22Å; E551-H682 PolarHBondContact OE1-CE1 2.83Å; E551-H682 VanDerWaalsContact OE1-CE1 3.23Å; E551-H682 IonicContact OE1-NE2 3.67Å; I627-H682 HydrophobicContact CD1-CB 3.64Å; I627-H682 HydrophobicContact CG1-CB 3.74Å; K662-H682 CarbonylContact C-O 3.57Å; K662-H682 VanDerWaalsContact CA-O 3.28Å; K662-H682 WeakPolarHBondContact CA-O 3.45Å; K662-H682 VanDerWaalsContact CB-O 3.27Å; K662-H682 WeakPolarHBondContact CB-O 3.28Å; K662-H682 WeakPolarHBondContact CD-O 3.16Å; K662-H682 PolarHBondContact NZ-CE1 3.21Å; K662-H682 PolarHBondContact NZ-NE2 3.07Å; G663-H682 PolarHBondContact N-O 2.98Å; G663-H682 PolarHBondContact O-N 2.77Å; H682-D735 VanDerWaalsContact CA-O 3.31Å; H682-D735 WeakPolarHBondContact CA-O 3.5Å; H682-D735 IonicContact CD2-OD2 3.21Å; H682-D735 IonicContact NE2-OD2 3.23Å
683	L	96.4	Very high	93.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-93.8	166.7	-170	-50.3	-177.2	0	0	0	112.3	K662 C681 A685 R693 D696 F697 I700 D735 L736 N737 Y738	K662-L683 WeakPolarHBondContact CD-O 3.29Å; C681-L683 HydrophobicContact CB-CD2 4.09Å; C681-L683 HydrophobicContact CB-CG 4.39Å; L683-A685 PolarHBondContact O-N 3.37Å; L683-R693 HydrophobicContact CB-CB 4.39Å; L683-R693 HydrophobicContact CB-CG 4.15Å; L683-R693 HydrophobicContact CD1-CB 4.47Å; L683-D696 HydrophobicContact CD2-CB 3.82Å; L683-F697 HydrophobicContact CD1-CB 4.28Å; L683-I700 HydrophobicContact CD2-CD1 3.7Å; L683-D735 PolarHBondContact N-O 2.68Å; L683-L736 HydrophobicContact CD1-CB 4.11Å; L683-L736 HydrophobicContact CD1-CD2 4.11Å; L683-L736 HydrophobicContact CG-CD2 4.27Å; L683-N737 PolarHBondContact O-ND2 2.92Å; L683-Y738 HydrophobicContact CD1-CE2 3.95Å
684	A	92.8	Very high	93.5	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-54.8	121.2	-176.6	0	0	0	0	0	114.9	R692 R693 D696	A684-R692 HydrophobicContact CB-CB 4Å; A684-R692 HydrophobicContact CB-CG 3.42Å; A684-R692 VanDerWaalsContact CB-CG 3.42Å; A684-R693 HydrophobicContact CB-CG 4.49Å; A684-R693 WeakPolarHBondContact O-CG 3.39Å; A684-R693 PolarHBondContact O-NH1 3.01Å; A684-D696 VanDerWaalsContact CB-OD2 3.3Å; A684-D696 WeakPolarHBondContact CB-OD2 3.48Å; A684-D696 PolarHBondContact N-OD2 3.14Å
685	A	89	Confident	93.5	Very high	36 Å²	36	33 Å²	33	30%	0.298	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-80.5	159.8	179.2	0	0	0	0	0	113	L683 N689 N737	L683-A685 PolarHBondContact O-N 3.37Å; A685-N689 PolarHBondContact O-ND2 3.16Å; A685-N737 WeakPolarHBondContact CA-OD1 3.41Å; A685-N737 VanDerWaalsContact CB-OD1 3.28Å; A685-N737 WeakPolarHBondContact CB-OD1 3.46Å
686	G	85.5	Confident	93.5	Very high	18 Å²	18	32.4 Å²	32.4	19%	0.186	19%	0.187	C	C	.	.	S	Bend	trans	99.8	138.5	-179.4	0	0	0	0	0	112	N689 R693	G686-N689 WeakPolarHBondContact O-CB 3.5Å; G686-N689 PolarHBondContact O-N 3.19Å; G686-R693 PolarHBondContact O-NH1 3.02Å
687	E	83.7	Confident	93.4	Very high	92 Å²	92	32.9 Å²	32.9	43%	0.43	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.1	-56.4	-167.6	-159.2	173.5	138.9	0	0	112.5	N689 R693 R739	E687-N689 PolarHBondContact O-N 3.38Å; E687-R693 PolarHBondContact O-NH2 3.02Å; E687-R739 HydrophobicContact CG-CB 4.46Å; E687-R739 HydrophobicContact CG-CG 4.43Å
688	A	86.1	Confident	93.2	Very high	101 Å²	101	38.5 Å²	38.5	84%	0.835	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-60.9	-5.1	179.1	0	0	0	0	0	116	L690	A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 3.49Å
689	N	90.1	Very high	93	Very high	77 Å²	77	40 Å²	40	41%	0.412	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-92.1	26.5	-175.2	-67.7	-29.4	0	0	0	114.1	A685 G686 E687 D691 R692 R693	A685-N689 PolarHBondContact O-ND2 3.16Å; G686-N689 WeakPolarHBondContact O-CB 3.5Å; G686-N689 PolarHBondContact O-N 3.19Å; E687-N689 PolarHBondContact O-N 3.38Å; N689-D691 PolarHBondContact O-N 3.41Å; N689-R692 HydrophobicContact CB-CB 4.25Å; N689-R692 WeakPolarHBondContact O-CA 3.46Å; N689-R692 WeakPolarHBondContact O-CB 3.47Å; N689-R692 PolarHBondContact O-N 2.96Å; N689-R693 PolarHBondContact O-N 2.68Å; N689-R693 PolarHBondContact O-NH1 3.39Å
690	L	92.4	Very high	92.9	Very high	55 Å²	55	40 Å²	40	29%	0.288	22%	0.217	S	C	.	.	H	α-helix	trans	-53.7	-52.2	-179.9	176.8	54	0	0	0	112.6	A688 R692 R693 N694 Y738 E765 L769	A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 3.49Å; L690-R692 PolarHBondContact O-N 3.39Å; L690-R693 WeakPolarHBondContact O-CB 3.44Å; L690-R693 PolarHBondContact O-N 3.37Å; L690-R693 VanDerWaalsContact O-N 3.13Å; L690-N694 PolarHBondContact O-N 3.49Å; L690-N694 PolarHBondContact O-ND2 3.2Å; L690-N694 PolarHBondContact O-OD1 3.41Å; L690-Y738 HydrophobicContact CD1-CD1 3.91Å; L690-Y738 HydrophobicContact CD1-CE1 3.72Å; L690-E765 HydrophobicContact CD1-CB 3.99Å; L690-E765 HydrophobicContact CD1-CG 4.03Å; L690-E765 HydrophobicContact CD2-CG 4.27Å; L690-L769 HydrophobicContact CD1-CD1 4Å
691	D	91.7	Very high	92.7	Very high	127 Å²	127	42.2 Å²	42.2	68%	0.679	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-24.8	177.8	-76.3	-46.5	0	0	0	113.3	N689 Q695	N689-D691 PolarHBondContact O-N 3.41Å; D691-Q695 WeakPolarHBondContact O-CB 3.46Å; D691-Q695 PolarHBondContact O-N 3.34Å
692	R	91.4	Very high	92.5	Very high	67 Å²	67	49.4 Å²	49.4	25%	0.253	26%	0.258	S	S	.	.	H	α-helix	trans	-76.4	-38.8	174	-176.5	61.6	-165.6	-152.3	-9.9	112.1	T653 G654 N657 A684 N689 L690 N694 Q695 D696	T653-R692 PolarHBondContact O-NH2 3.41Å; G654-R692 PolarHBondContact O-NH2 2.93Å; N657-R692 VanDerWaalsContact OD1-CZ 3.31Å; N657-R692 PolarHBondContact OD1-NH1 3.21Å; N657-R692 PolarHBondContact OD1-NH2 3.41Å; A684-R692 HydrophobicContact CB-CB 4Å; A684-R692 HydrophobicContact CB-CG 3.42Å; A684-R692 VanDerWaalsContact CB-CG 3.42Å; N689-R692 HydrophobicContact CB-CB 4.25Å; N689-R692 WeakPolarHBondContact O-CA 3.46Å; N689-R692 WeakPolarHBondContact O-CB 3.47Å; N689-R692 PolarHBondContact O-N 2.96Å; L690-R692 PolarHBondContact O-N 3.39Å; R692-N694 VanDerWaalsContact C-N 3.25Å; R692-N694 PolarHBondContact O-N 2.87Å; R692-Q695 VanDerWaalsContact CD-OE1 3.27Å; R692-Q695 PolarHBondContact O-N 3.29Å; R692-Q695 VanDerWaalsContact O-N 3.13Å; R692-D696 IonicContact CZ-OD1 3.68Å; R692-D696 VanDerWaalsContact CZ-OD1 3.29Å; R692-D696 IonicContact NE-OD1 3.98Å; R692-D696 PolarHBondContact NE-OD1 3.07Å; R692-D696 IonicContact NH2-OD1 3.61Å; R692-D696 PolarHBondContact NH2-OD1 3.13Å; R692-D696 WeakPolarHBondContact O-CB 3.25Å; R692-D696 VanDerWaalsContact O-CG 3.25Å; R692-D696 PolarHBondContact O-N 2.91Å
693	R	94.5	Very high	92.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.3	-44.6	167.9	-68.9	-176.9	-84.5	-71.1	8	110.7	L683 A684 G686 E687 N689 L690 Q695 D696 F697 L736 N737 Y738 E765	L683-R693 HydrophobicContact CB-CB 4.39Å; L683-R693 HydrophobicContact CB-CG 4.15Å; L683-R693 HydrophobicContact CD1-CB 4.47Å; A684-R693 HydrophobicContact CB-CG 4.49Å; A684-R693 WeakPolarHBondContact O-CG 3.39Å; A684-R693 PolarHBondContact O-NH1 3.01Å; G686-R693 PolarHBondContact O-NH1 3.02Å; E687-R693 PolarHBondContact O-NH2 3.02Å; N689-R693 PolarHBondContact O-N 2.68Å; N689-R693 PolarHBondContact O-NH1 3.39Å; L690-R693 WeakPolarHBondContact O-CB 3.44Å; L690-R693 PolarHBondContact O-N 3.37Å; L690-R693 VanDerWaalsContact O-N 3.13Å; R693-Q695 VanDerWaalsContact C-N 3.32Å; R693-Q695 PolarHBondContact O-N 3.31Å; R693-D696 PolarHBondContact O-N 3.42Å; R693-F697 PolarHBondContact O-N 3.19Å; R693-L736 VanDerWaalsContact CD-O 3.29Å; R693-L736 WeakPolarHBondContact CD-O 3.45Å; R693-N737 VanDerWaalsContact CD-C 3.43Å; R693-N737 WeakPolarHBondContact CD-O 3.33Å; R693-N737 PolarHBondContact NE-O 3.01Å; R693-Y738 HydrophobicContact CB-CD1 4.39Å; R693-Y738 HydrophobicContact CB-CE1 3.7Å; R693-Y738 HydrophobicContact CB-CE2 4.45Å; R693-Y738 HydrophobicContact CG-CE1 4.42Å; R693-E765 IonicContact CZ-OE2 3.97Å; R693-E765 VanDerWaalsContact CZ-OE2 3.32Å; R693-E765 IonicContact NE-OE2 3.95Å; R693-E765 PolarHBondContact NE-OE2 2.96Å; R693-E765 VanDerWaalsContact NE-OE2 3.13Å; R693-E765 IonicContact NH2-OE1 3.62Å; R693-E765 PolarHBondContact NH2-OE1 3.06Å; R693-E765 IonicContact NH2-OE2 2.77Å; R693-E765 PolarHBondContact NH2-OE2 2.93Å
694	N	94.2	Very high	92.4	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.032	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-32.4	177.1	-59.3	-21.1	0	0	0	112.7	L690 R692 R698 Y738 L769 L775	L690-N694 PolarHBondContact O-N 3.49Å; L690-N694 PolarHBondContact O-ND2 3.2Å; L690-N694 PolarHBondContact O-OD1 3.41Å; R692-N694 VanDerWaalsContact C-N 3.25Å; R692-N694 PolarHBondContact O-N 2.87Å; N694-R698 VanDerWaalsContact O-CG 3.23Å; N694-R698 WeakPolarHBondContact O-CG 3.43Å; N694-R698 PolarHBondContact O-N 3.28Å; N694-R698 PolarHBondContact O-NH1 2.69Å; N694-R698 VanDerWaalsContact O-NH1 3.08Å; N694-Y738 PolarHBondContact OD1-OH 2.76Å; N694-L769 WeakPolarHBondContact OD1-CD1 3.3Å; N694-L775 HydrophobicContact CB-CD2 3.88Å
695	Q	92.1	Very high	92.6	Very high	87 Å²	87	54.6 Å²	54.6	41%	0.407	28%	0.281	S	S	.	.	H	α-helix	trans	-73.1	-45.8	173.3	-174.1	-179	39.9	0	0	111.7	D691 R692 R693 F697 R698 E699	D691-Q695 WeakPolarHBondContact O-CB 3.46Å; D691-Q695 PolarHBondContact O-N 3.34Å; R692-Q695 VanDerWaalsContact CD-OE1 3.27Å; R692-Q695 PolarHBondContact O-N 3.29Å; R692-Q695 VanDerWaalsContact O-N 3.13Å; R693-Q695 VanDerWaalsContact C-N 3.32Å; R693-Q695 PolarHBondContact O-N 3.31Å; Q695-F697 PolarHBondContact O-N 3.2Å; Q695-R698 PolarHBondContact O-N 3.42Å; Q695-E699 PolarHBondContact O-N 2.64Å
696	D	94.7	Very high	93	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-49.5	179.7	-71.6	-14.5	0	0	0	110.7	T653 L683 A684 R692 R693 R698 E699 I700	T653-D696 VanDerWaalsContact CB-OD1 3.31Å; T653-D696 WeakPolarHBondContact CB-OD1 3.39Å; T653-D696 HydrophobicContact CG2-CB 4.27Å; T653-D696 WeakPolarHBondContact OG1-CB 3.37Å; T653-D696 PolarHBondContact OG1-OD1 3.03Å; L683-D696 HydrophobicContact CD2-CB 3.82Å; A684-D696 VanDerWaalsContact CB-OD2 3.3Å; A684-D696 WeakPolarHBondContact CB-OD2 3.48Å; A684-D696 PolarHBondContact N-OD2 3.14Å; R692-D696 IonicContact CZ-OD1 3.68Å; R692-D696 VanDerWaalsContact CZ-OD1 3.29Å; R692-D696 IonicContact NE-OD1 3.98Å; R692-D696 PolarHBondContact NE-OD1 3.07Å; R692-D696 IonicContact NH2-OD1 3.61Å; R692-D696 PolarHBondContact NH2-OD1 3.13Å; R692-D696 WeakPolarHBondContact O-CB 3.25Å; R692-D696 VanDerWaalsContact O-CG 3.25Å; R692-D696 PolarHBondContact O-N 2.91Å; R693-D696 PolarHBondContact O-N 3.42Å; D696-R698 PolarHBondContact O-N 2.87Å; D696-E699 PolarHBondContact O-N 3.23Å; D696-I700 VanDerWaalsContact O-CG1 3.31Å; D696-I700 WeakPolarHBondContact O-CG1 3.21Å; D696-I700 PolarHBondContact O-N 3.21Å
697	F	95.9	Very high	93.3	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-38	179.8	-174.8	-108.9	0	0	0	113.4	L683 R693 Q695 E699 I700 T701 V732 L775 F776	L683-F697 HydrophobicContact CD1-CB 4.28Å; R693-F697 PolarHBondContact O-N 3.19Å; Q695-F697 PolarHBondContact O-N 3.2Å; F697-E699 VanDerWaalsContact C-N 3.35Å; F697-I700 PolarHBondContact O-N 3.12Å; F697-T701 WeakPolarHBondContact CZ-OG1 3.34Å; F697-T701 WeakPolarHBondContact O-CB 3.48Å; F697-T701 PolarHBondContact O-N 3.41Å; F697-T701 PolarHBondContact O-OG1 3.47Å; F697-V732 HydrophobicContact CD2-CG1 4.49Å; F697-V732 HydrophobicContact CE2-CG1 3.75Å; F697-V732 HydrophobicContact CE2-CG2 4.06Å; F697-V732 HydrophobicContact CZ-CG1 4.44Å; F697-V732 HydrophobicContact CZ-CG2 4.27Å; F697-L775 HydrophobicContact CD1-CD1 3.91Å; F697-L775 HydrophobicContact CD1-CD2 4.41Å; F697-L775 HydrophobicContact CD1-CG 4.06Å; F697-F776 HydrophobicContact CB-CE1 4.49Å; F697-F776 HydrophobicContact CB-CZ 4.24Å; F697-F776 AromaticContact CD1-CD1 3.79Å; F697-F776 HydrophobicContact CD1-CD1 3.79Å; F697-F776 AromaticContact CD1-CE1 3.3Å; F697-F776 HydrophobicContact CD1-CE1 3.3Å; F697-F776 HydrophobicContact CD1-CE2 4.37Å; F697-F776 AromaticContact CD1-CZ 3.63Å; F697-F776 HydrophobicContact CD1-CZ 3.63Å; F697-F776 AromaticContact CD2-CE1 3.78Å; F697-F776 HydrophobicContact CD2-CE1 3.78Å; F697-F776 HydrophobicContact CD2-CZ 4.32Å; F697-F776 AromaticContact CE1-CD1 3.34Å; F697-F776 HydrophobicContact CE1-CD1 3.34Å; F697-F776 AromaticContact CE1-CE1 3.28Å; F697-F776 HydrophobicContact CE1-CE1 3.28Å; F697-F776 HydrophobicContact CE1-CG 4.18Å; F697-F776 HydrophobicContact CE1-CZ 4.07Å; F697-F776 HydrophobicContact CE2-CD1 4.32Å; F697-F776 AromaticContact CE2-CE1 3.76Å; F697-F776 HydrophobicContact CE2-CE1 3.76Å; F697-F776 HydrophobicContact CG-CD1 4.46Å; F697-F776 AromaticContact CG-CE1 3.56Å; F697-F776 HydrophobicContact CG-CE1 3.56Å; F697-F776 AromaticContact CG-CZ 3.77Å; F697-F776 HydrophobicContact CG-CZ 3.77Å; F697-F776 AromaticContact CZ-CD1 3.64Å; F697-F776 HydrophobicContact CZ-CD1 3.64Å; F697-F776 AromaticContact CZ-CE1 3.52Å; F697-F776 HydrophobicContact CZ-CE1 3.52Å
698	R	94.8	Very high	93.5	Very high	119 Å²	119	52 Å²	52	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-41.6	173.1	-72.4	177.9	-166.6	114.1	-7.2	111.7	N694 Q695 D696 T701 R702 L775	N694-R698 VanDerWaalsContact O-CG 3.23Å; N694-R698 WeakPolarHBondContact O-CG 3.43Å; N694-R698 PolarHBondContact O-N 3.28Å; N694-R698 PolarHBondContact O-NH1 2.69Å; N694-R698 VanDerWaalsContact O-NH1 3.08Å; Q695-R698 PolarHBondContact O-N 3.42Å; D696-R698 PolarHBondContact O-N 2.87Å; R698-T701 PolarHBondContact O-N 3.08Å; R698-R702 WeakPolarHBondContact O-CB 3.36Å; R698-R702 PolarHBondContact O-N 2.89Å; R698-L775 HydrophobicContact CG-CD1 3.6Å
699	E	94.6	Very high	93	Very high	30 Å²	30	50.7 Å²	50.7	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-38.2	177	-79.6	-73	95.1	0	0	112.4	T653 Q695 D696 F697 R702 K703	T653-E699 HydrophobicContact CG2-CB 4.07Å; Q695-E699 PolarHBondContact O-N 2.64Å; D696-E699 PolarHBondContact O-N 3.23Å; F697-E699 VanDerWaalsContact C-N 3.35Å; E699-R702 IonicContact OE1-CZ 2.7Å; E699-R702 IonicContact OE1-NE 3.77Å; E699-R702 PolarHBondContact OE1-NE 2.82Å; E699-R702 IonicContact OE1-NH2 2.75Å; E699-R702 PolarHBondContact OE1-NH2 3.18Å; E699-R702 IonicContact OE2-NH2 2.77Å; E699-R702 PolarHBondContact OE2-NH2 3.16Å; E699-K703 WeakPolarHBondContact O-CB 3.34Å; E699-K703 WeakPolarHBondContact O-CG 3.4Å; E699-K703 PolarHBondContact O-N 3.28Å; E699-K703 WeakPolarHBondContact OE2-CE 3.48Å; E699-K703 IonicContact OE2-NZ 3.05Å; E699-K703 PolarHBondContact OE2-NZ 3.48Å
700	I	96.4	Very high	91.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-55	172.2	-68.1	162	0	0	0	110	V651 T653 G663 V679 L683 D696 F697 R702 K703 M704 I724	V651-I700 HydrophobicContact CB-CG1 4.24Å; V651-I700 HydrophobicContact CG1-CG1 4.21Å; T653-I700 HydrophobicContact CG2-CD1 4.34Å; T653-I700 HydrophobicContact CG2-CG1 3.88Å; G663-I700 VanDerWaalsContact C-CD1 3.48Å; V679-I700 HydrophobicContact CG1-CG2 4.18Å; L683-I700 HydrophobicContact CD2-CD1 3.7Å; D696-I700 VanDerWaalsContact O-CG1 3.31Å; D696-I700 WeakPolarHBondContact O-CG1 3.21Å; D696-I700 PolarHBondContact O-N 3.21Å; F697-I700 PolarHBondContact O-N 3.12Å; I700-R702 VanDerWaalsContact C-N 3.29Å; I700-R702 PolarHBondContact O-N 2.84Å; I700-K703 PolarHBondContact O-N 2.77Å; I700-M704 HydrophobicContact CG2-CE 4.09Å; I700-M704 WeakPolarHBondContact O-CB 3.24Å; I700-M704 PolarHBondContact O-N 2.73Å; I700-I724 HydrophobicContact CG2-CD1 4.16Å
701	T	94.9	Very high	89.7	Confident	48 Å²	48	50.7 Å²	50.7	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-38.9	-178.2	-51	0	0	0	0	112.6	F697 R698	F697-T701 WeakPolarHBondContact CZ-OG1 3.34Å; F697-T701 WeakPolarHBondContact O-CB 3.48Å; F697-T701 PolarHBondContact O-N 3.41Å; F697-T701 PolarHBondContact O-OG1 3.47Å; R698-T701 PolarHBondContact O-N 3.08Å
702	R	93.7	Very high	87.4	Confident	150 Å²	150	46.3 Å²	46.3	57%	0.566	22%	0.219	S	C	*	.	H	α-helix	trans	-80.2	-24.5	-177.6	-167.2	-169.3	65.6	73.3	-5	114.2	R698 E699 I700	R698-R702 WeakPolarHBondContact O-CB 3.36Å; R698-R702 PolarHBondContact O-N 2.89Å; E699-R702 IonicContact OE1-CZ 2.7Å; E699-R702 IonicContact OE1-NE 3.77Å; E699-R702 PolarHBondContact OE1-NE 2.82Å; E699-R702 IonicContact OE1-NH2 2.75Å; E699-R702 PolarHBondContact OE1-NH2 3.18Å; E699-R702 IonicContact OE2-NH2 2.77Å; E699-R702 PolarHBondContact OE2-NH2 3.16Å; I700-R702 VanDerWaalsContact C-N 3.29Å; I700-R702 PolarHBondContact O-N 2.84Å
703	K	95.3	Very high	85.2	Confident	80 Å²	80	53 Å²	53	35%	0.348	25%	0.25	S	C	.	.	H	α-helix	trans	-103.6	-22.8	-176.8	-72.2	170.5	159.7	164.8	0	114.3	V651 E699 I700 L705	V651-K703 HydrophobicContact CG1-CB 3.87Å; V651-K703 HydrophobicContact CG1-CD 3.69Å; V651-K703 HydrophobicContact CG1-CG 4.43Å; V651-K703 HydrophobicContact CG2-CB 3.78Å; E699-K703 WeakPolarHBondContact O-CB 3.34Å; E699-K703 WeakPolarHBondContact O-CG 3.4Å; E699-K703 PolarHBondContact O-N 3.28Å; E699-K703 WeakPolarHBondContact OE2-CE 3.48Å; E699-K703 IonicContact OE2-NZ 3.05Å; E699-K703 PolarHBondContact OE2-NZ 3.48Å; I700-K703 PolarHBondContact O-N 2.77Å; K703-L705 VanDerWaalsContact C-N 3.33Å; K703-L705 PolarHBondContact O-N 2.94Å
704	M	96.7	Very high	82.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.			trans	-76.7	83.6	-175.8	-171.7	167.1	-76.2	0	0	110.9	Q649 V651 V679 I700 F706 I724	Q649-M704 HydrophobicContact CB-CG 3.84Å; V651-M704 HydrophobicContact CG2-CB 3.9Å; V651-M704 HydrophobicContact CG2-CE 4.14Å; V679-M704 HydrophobicContact CG1-CE 4.18Å; V679-M704 HydrophobicContact CG1-SD 3.94Å; V679-M704 HydrophobicContact CG2-SD 4.12Å; I700-M704 HydrophobicContact CG2-CE 4.09Å; I700-M704 WeakPolarHBondContact O-CB 3.24Å; I700-M704 PolarHBondContact O-N 2.73Å; M704-F706 HydrophobicContact CG-CE1 4.38Å; M704-F706 HydrophobicContact CG-CE2 3.8Å; M704-F706 HydrophobicContact CG-CZ 3.72Å; M704-F706 HydrophobicContact SD-CE2 4.23Å; M704-F706 HydrophobicContact SD-CZ 3.78Å; M704-I724 HydrophobicContact CB-CD1 3.94Å; M704-I724 HydrophobicContact CB-CG1 3.89Å; M704-I724 HydrophobicContact CG-CD1 4.25Å; M704-I724 HydrophobicContact CG-CG1 4.04Å; M704-I724 HydrophobicContact SD-CD1 3.82Å; M704-I724 HydrophobicContact SD-CG1 4.04Å
705	L	97.1	Very high	80.1	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.225	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	102.5	-179.9	-178.5	60.9	0	0	0	110	Q649 K703 K721 F723	Q649-L705 WeakPolarHBondContact CG-O 3.08Å; Q649-L705 PolarHBondContact NE2-O 3.17Å; K703-L705 VanDerWaalsContact C-N 3.33Å; K703-L705 PolarHBondContact O-N 2.94Å; L705-K721 HydrophobicContact CD1-CB 3.82Å; L705-K721 HydrophobicContact CD2-CD 4.15Å; L705-K721 HydrophobicContact CG-CB 4.27Å; L705-F723 HydrophobicContact CB-CD1 4.34Å; L705-F723 HydrophobicContact CB-CE1 4.1Å; L705-F723 HydrophobicContact CD1-CD1 4.06Å; L705-F723 HydrophobicContact CD1-CD2 3.95Å; L705-F723 HydrophobicContact CD1-CE1 3.94Å; L705-F723 HydrophobicContact CD1-CE2 3.82Å; L705-F723 HydrophobicContact CD1-CG 4.08Å; L705-F723 HydrophobicContact CD1-CZ 3.81Å; L705-F723 HydrophobicContact CD2-CZ 4.38Å; L705-F723 HydrophobicContact CG-CE1 4.44Å
706	F	96.1	Very high	77.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.8	176.2	-59.9	-81.5	0	0	0	110.4	S647 Q649 R668 C677 M704 K721 A722 I724 H727	S647-F706 WeakPolarHBondContact O-CD1 3.44Å; Q649-F706 HydrophobicContact CB-CD1 4.06Å; Q649-F706 HydrophobicContact CB-CE1 3.91Å; Q649-F706 HydrophobicContact CG-CD1 3.87Å; Q649-F706 HydrophobicContact CG-CE1 4.26Å; Q649-F706 HydrophobicContact CG-CG 4.37Å; R668-F706 HydrophobicContact CB-CD1 4.1Å; R668-F706 HydrophobicContact CB-CD2 4.22Å; R668-F706 HydrophobicContact CB-CE1 4.17Å; R668-F706 HydrophobicContact CB-CE2 4.31Å; R668-F706 HydrophobicContact CB-CG 4.12Å; R668-F706 HydrophobicContact CB-CZ 4.27Å; R668-F706 HydrophobicContact CG-CB 3.63Å; R668-F706 HydrophobicContact CG-CD1 3.52Å; R668-F706 HydrophobicContact CG-CD2 3.95Å; R668-F706 HydrophobicContact CG-CE1 4.1Å; R668-F706 HydrophobicContact CG-CE2 4.48Å; R668-F706 HydrophobicContact CG-CG 3.42Å; R668-F706 VanDerWaalsContact CG-CG 3.42Å; C677-F706 VanDerWaalsContact SG-CE2 3.52Å; M704-F706 HydrophobicContact CG-CE1 4.38Å; M704-F706 HydrophobicContact CG-CE2 3.8Å; M704-F706 HydrophobicContact CG-CZ 3.72Å; M704-F706 HydrophobicContact SD-CE2 4.23Å; M704-F706 HydrophobicContact SD-CZ 3.78Å; F706-K721 CarbonylContact O-C 3.52Å; F706-K721 VanDerWaalsContact O-CA 3.24Å; F706-K721 WeakPolarHBondContact O-CA 3.47Å; F706-A722 WeakPolarHBondContact CD2-O 3.4Å; F706-A722 PolarHBondContact N-O 2.87Å; F706-A722 PolarHBondContact O-N 3.09Å; F706-I724 HydrophobicContact CE2-CG1 4.46Å; F706-H727 AromaticContact CD2-CE1 3.88Å
707	E	92.5	Very high	75.7	Confident	76 Å²	76	73.2 Å²	73.2	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.6	173.2	-59.6	-156.6	-156.4	0	0	110.4	S647 S719 E720 K721	S647-E707 VanDerWaalsContact CB-O 3.31Å; S647-E707 WeakPolarHBondContact CB-O 3.34Å; S647-E707 PolarHBondContact OG-N 3.32Å; S647-E707 PolarHBondContact OG-O 3.1Å; E707-S719 PolarHBondContact OE2-OG 2.92Å; E707-E720 WeakPolarHBondContact CA-O 3.28Å; E707-K721 HydrophobicContact CG-CB 4.5Å; E707-K721 HydrophobicContact CG-CD 3.93Å; E707-K721 HydrophobicContact CG-CG 3.96Å; E707-K721 WeakPolarHBondContact OE1-CE 3.45Å; E707-K721 IonicContact OE1-NZ 3.39Å; E707-K721 PolarHBondContact OE1-NZ 3.01Å; E707-K721 WeakPolarHBondContact OE2-CE 3.39Å; E707-K721 IonicContact OE2-NZ 3.67Å; E707-K721 PolarHBondContact OE2-NZ 2.75Å
708	F	87.6	Confident	73.8	Confident	14 Å²	14	75.5 Å²	75.5	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.9	177.6	47	-83.1	0	0	0	110.7	E645 R668 M710 S719 E720 A722	E645-F708 HydrophobicContact CB-CD2 4.5Å; E645-F708 HydrophobicContact CG-CD2 4.05Å; E645-F708 HydrophobicContact CG-CE2 4.43Å; R668-F708 VanDerWaalsContact CZ-CE1 3.45Å; F708-M710 PolarHBondContact O-N 2.91Å; F708-S719 WeakPolarHBondContact O-CA 3.19Å; F708-E720 HydrophobicContact CD2-CB 4.17Å; F708-E720 HydrophobicContact CE2-CB 3.71Å; F708-E720 HydrophobicContact CE2-CG 3.93Å; F708-E720 HydrophobicContact CZ-CB 4.02Å; F708-E720 HydrophobicContact CZ-CG 3.88Å; F708-E720 PolarHBondContact N-O 2.94Å; F708-E720 PolarHBondContact O-N 3.28Å; F708-A722 HydrophobicContact CE1-CB 4.05Å
709	P	75.6	Confident	72.8	Confident	75 Å²	75	72.5 Å²	72.5	49%	0.487	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	124.9	178.1	24.6	-35.7	0	0	0	111.3	E644 N711	E644-P709 HydrophobicContact CB-CG 4.29Å; E644-P709 VanDerWaalsContact O-CD 3.28Å; E644-P709 WeakPolarHBondContact O-CD 3.39Å; E644-P709 WeakPolarHBondContact O-CG 3.34Å; P709-N711 PolarHBondContact O-N 2.76Å
710	M	61.2	Low	72.2	Confident	54 Å²	54	74.1 Å²	74.1	27%	0.266	38%	0.379	S	S	.	.			trans	-65.5	125.9	158.1	-122	-149.8	-170.7	0	0	107.1	R478 F708 S712 S718 E720	R478-M710 PolarHBondContact NH2-SD 2.84Å; F708-M710 PolarHBondContact O-N 2.91Å; M710-S712 PolarHBondContact O-N 3.44Å; M710-S718 WeakPolarHBondContact CB-O 3.4Å; M710-E720 HydrophobicContact CG-CB 4.23Å
711	N	51.9	Low	71.9	Confident	77 Å²	77	79.3 Å²	79.3	41%	0.412	40%	0.402	S	S	.	.			trans	-65.9	55	-179.3	-98.6	-29.2	0	0	0	114.1	R478 E644 P709	R478-N711 VanDerWaalsContact CZ-C 3.43Å; R478-N711 PolarHBondContact NE-O 2.98Å; E644-N711 PolarHBondContact OE1-ND2 3.27Å; P709-N711 PolarHBondContact O-N 2.76Å
712	S	44.8	Very low	71.8	Confident	36 Å²	36	77.3 Å²	77.3	25%	0.252	39%	0.39	S	S	.	.			trans	-106	95.1	-173.4	-152.1	0	0	0	0	111.2	R478 M710 N714 S715	R478-S712 PolarHBondContact NH1-OG 3.48Å; M710-S712 PolarHBondContact O-N 3.44Å; S712-N714 PolarHBondContact O-N 3.21Å; S712-N714 VanDerWaalsContact O-N 3.14Å; S712-S715 WeakPolarHBondContact CB-OG 3.09Å; S712-S715 PolarHBondContact OG-OG 3.14Å
713	K	45.3	Very low	71.9	Confident	207 Å²	207	74.1 Å²	74.1	90%	0.9	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.2	173	-67.8	-171.3	176.5	-174.9	0	113.5
714	N	39	Very low	72	Confident	148 Å²	148	70.5 Å²	70.5	79%	0.791	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	22	-169.7	-62.7	57.1	0	0	0	113.7	S712	S712-N714 PolarHBondContact O-N 3.21Å; S712-N714 VanDerWaalsContact O-N 3.14Å
715	S	41.9	Very low	71.9	Confident	55 Å²	55	74.3 Å²	74.3	39%	0.385	39%	0.391	S	S	.	.			trans	-142.7	111.7	169.8	65.9	0	0	0	0	112.5	S712 Q717	S712-S715 WeakPolarHBondContact CB-OG 3.09Å; S712-S715 PolarHBondContact OG-OG 3.14Å; S715-Q717 PolarHBondContact O-N 3.21Å
716	I	44.7	Very low	71.7	Confident	126 Å²	126	76.3 Å²	76.3	65%	0.646	40%	0.402	S	S	*	.	S	Bend	trans	-60.6	127.3	172.9	-62.2	167.5	0	0	0	108.9	Y210	Y210-I716 HydrophobicContact CE1-CD1 4.41Å
717	Q	49.1	Very low	71.6	Confident	191 Å²	191	76.9 Å²	76.9	89%	0.893	41%	0.405	S	S	*	.	S	Bend	trans	61.2	73.5	171.2	-65.3	173.1	-10.4	0	0	117.4	S715	S715-Q717 PolarHBondContact O-N 3.21Å
718	S	57.7	Low	71.7	Confident	56 Å²	56	77.4 Å²	77.4	39%	0.392	41%	0.41	S	S	.	.			trans	-143.2	114	154	63.6	0	0	0	0	111.8	M710	M710-S718 WeakPolarHBondContact CB-O 3.4Å
719	S	73.4	Confident	72.1	Confident	56 Å²	56	76.9 Å²	76.9	39%	0.392	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	145.4	161.7	50.2	0	0	0	0	109.8	E707 F708	E707-S719 PolarHBondContact OE2-OG 2.92Å; F708-S719 WeakPolarHBondContact O-CA 3.19Å
720	E	82.1	Confident	73.2	Confident	65 Å²	65	73.9 Å²	73.9	30%	0.304	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	146.1	164.1	-169.7	150.9	-138	0	0	108.8	R481 E707 F708 M710	R481-E720 IonicContact CZ-OE1 3.45Å; R481-E720 IonicContact NH1-OE1 3.2Å; R481-E720 PolarHBondContact NH1-OE1 3.43Å; R481-E720 IonicContact NH2-OE1 3.19Å; E707-E720 WeakPolarHBondContact CA-O 3.28Å; F708-E720 HydrophobicContact CD2-CB 4.17Å; F708-E720 HydrophobicContact CE2-CB 3.71Å; F708-E720 HydrophobicContact CE2-CG 3.93Å; F708-E720 HydrophobicContact CZ-CB 4.02Å; F708-E720 HydrophobicContact CZ-CG 3.88Å; F708-E720 PolarHBondContact N-O 2.94Å; F708-E720 PolarHBondContact O-N 3.28Å; M710-E720 HydrophobicContact CG-CB 4.23Å
721	K	90.3	Very high	75	Confident	109 Å²	109	71.3 Å²	71.3	47%	0.474	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	-174.6	-45	-163.7	-176.9	-153.1	0	110.2	L705 F706 E707	L705-K721 HydrophobicContact CD1-CB 3.82Å; L705-K721 HydrophobicContact CD2-CD 4.15Å; L705-K721 HydrophobicContact CG-CB 4.27Å; F706-K721 CarbonylContact O-C 3.52Å; F706-K721 VanDerWaalsContact O-CA 3.24Å; F706-K721 WeakPolarHBondContact O-CA 3.47Å; E707-K721 HydrophobicContact CG-CB 4.5Å; E707-K721 HydrophobicContact CG-CD 3.93Å; E707-K721 HydrophobicContact CG-CG 3.96Å; E707-K721 WeakPolarHBondContact OE1-CE 3.45Å; E707-K721 IonicContact OE1-NZ 3.39Å; E707-K721 PolarHBondContact OE1-NZ 3.01Å; E707-K721 WeakPolarHBondContact OE2-CE 3.39Å; E707-K721 IonicContact OE2-NZ 3.67Å; E707-K721 PolarHBondContact OE2-NZ 2.75Å
722	A	91.9	Very high	77.2	Confident	5 Å²	5	67.7 Å²	67.7	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.9	-177.6	0	0	0	0	0	110.9	F706 F708 D726	F706-A722 WeakPolarHBondContact CD2-O 3.4Å; F706-A722 PolarHBondContact N-O 2.87Å; F706-A722 PolarHBondContact O-N 3.09Å; F708-A722 HydrophobicContact CE1-CB 4.05Å; A722-D726 HydrophobicContact CB-CB 4.1Å
723	F	96.4	Very high	79.8	Confident	84 Å²	84	66 Å²	66	37%	0.368	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	171.9	165.5	-66.6	-83.2	0	0	0	110.6	L705 S725 D726 H727	L705-F723 HydrophobicContact CB-CD1 4.34Å; L705-F723 HydrophobicContact CB-CE1 4.1Å; L705-F723 HydrophobicContact CD1-CD1 4.06Å; L705-F723 HydrophobicContact CD1-CD2 3.95Å; L705-F723 HydrophobicContact CD1-CE1 3.94Å; L705-F723 HydrophobicContact CD1-CE2 3.82Å; L705-F723 HydrophobicContact CD1-CG 4.08Å; L705-F723 HydrophobicContact CD1-CZ 3.81Å; L705-F723 HydrophobicContact CD2-CZ 4.38Å; L705-F723 HydrophobicContact CG-CE1 4.44Å; F723-S725 PolarHBondContact O-N 2.94Å; F723-D726 PolarHBondContact N-OD2 2.88Å; F723-D726 PolarHBondContact O-N 3.27Å; F723-D726 VanDerWaalsContact O-N 3.08Å; F723-H727 PolarHBondContact O-CE1 3.41Å; F723-H727 PolarHBondContact O-ND1 3.25Å
724	I	96.3	Very high	82.3	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-52	-43.7	176.7	-51.4	-177.3	0	0	0	111	V679 I700 M704 F706 D726 H727 I730	V679-I724 HydrophobicContact CG1-CD1 4.44Å; V679-I724 HydrophobicContact CG2-CD1 4.12Å; V679-I724 HydrophobicContact CG2-CG2 4.07Å; I700-I724 HydrophobicContact CG2-CD1 4.16Å; M704-I724 HydrophobicContact CB-CD1 3.94Å; M704-I724 HydrophobicContact CB-CG1 3.89Å; M704-I724 HydrophobicContact CG-CD1 4.25Å; M704-I724 HydrophobicContact CG-CG1 4.04Å; M704-I724 HydrophobicContact SD-CD1 3.82Å; M704-I724 HydrophobicContact SD-CG1 4.04Å; F706-I724 HydrophobicContact CE2-CG1 4.46Å; I724-D726 PolarHBondContact O-N 3.43Å; I724-D726 VanDerWaalsContact O-N 3.14Å; I724-H727 PolarHBondContact O-ND1 2.97Å; I724-H727 VanDerWaalsContact O-ND1 3.07Å; I724-I730 HydrophobicContact CG2-CD1 4.39Å; I724-I730 HydrophobicContact CG2-CG2 3.6Å; I724-I730 WeakPolarHBondContact O-CD1 3.19Å; I724-I730 WeakPolarHBondContact O-CG1 3.48Å
725	S	94	Very high	85.2	Confident	79 Å²	79	49.1 Å²	49.1	55%	0.552	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20	179.7	47.7	0	0	0	0	115.8	F723 H727	F723-S725 PolarHBondContact O-N 2.94Å; S725-H727 PolarHBondContact O-N 3.47Å
726	D	93.3	Very high	87.8	Confident	85 Å²	85	46.5 Å²	46.5	46%	0.455	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-94.2	22.7	-165.4	-48.8	-16.7	0	0	0	111.8	A722 F723 I724	A722-D726 HydrophobicContact CB-CB 4.1Å; F723-D726 PolarHBondContact N-OD2 2.88Å; F723-D726 PolarHBondContact O-N 3.27Å; F723-D726 VanDerWaalsContact O-N 3.08Å; I724-D726 PolarHBondContact O-N 3.43Å; I724-D726 VanDerWaalsContact O-N 3.14Å
727	H	95.3	Very high	90.3	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.06	22%	0.215	C	C	.	.	S	Bend	trans	-119.6	144.8	-175	-61.6	81.8	0	0	0	111.1	R668 S675 C677 F706 F723 I724 S725 I729 I730	R668-H727 WeakPolarHBondContact CB-NE2 3.24Å; R668-H727 PolarHBondContact NE-NE2 3.29Å; R668-H727 PolarHBondContact NH2-NE2 2.88Å; S675-H727 WeakPolarHBondContact OG-CA 3.41Å; C677-H727 HydrophobicContact CB-CB 3.96Å; F706-H727 AromaticContact CD2-CE1 3.88Å; F723-H727 PolarHBondContact O-CE1 3.41Å; F723-H727 PolarHBondContact O-ND1 3.25Å; I724-H727 PolarHBondContact O-ND1 2.97Å; I724-H727 VanDerWaalsContact O-ND1 3.07Å; S725-H727 PolarHBondContact O-N 3.47Å; H727-I729 VanDerWaalsContact C-N 3.3Å; H727-I729 PolarHBondContact O-N 3.12Å; H727-I730 HydrophobicContact CB-CG1 4.14Å
728	D	93.2	Very high	92.6	Very high	86 Å²	86	31.6 Å²	31.6	46%	0.46	17%	0.173	S	C	.	.	S	Bend	trans	-61.6	-38.8	-177.3	-57.5	-97.3	0	0	0	112.1	S675 G818	S675-D728 WeakPolarHBondContact CB-OD2 3.38Å; S675-D728 PolarHBondContact N-OD2 2.8Å; S675-D728 PolarHBondContact O-N 2.69Å; S675-D728 PolarHBondContact OG-N 2.82Å; S675-D728 VanDerWaalsContact OG-N 3.07Å; S675-D728 PolarHBondContact OG-OD2 3.31Å; D728-G818 VanDerWaalsContact O-CA 3.25Å; D728-G818 WeakPolarHBondContact O-CA 3.29Å
729	I	97.3	Very high	94.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.5	178.8	-60	144.8	0	0	0	109.5	S675 L676 C677 H727 F731 S817 C821 V846 L848	S675-I729 PolarHBondContact O-N 3.45Å; L676-I729 WeakPolarHBondContact CA-O 3.25Å; L676-I729 HydrophobicContact CD2-CB 3.74Å; L676-I729 HydrophobicContact CD2-CD1 3.71Å; L676-I729 HydrophobicContact CD2-CG1 4.34Å; L676-I729 HydrophobicContact CD2-CG2 4.25Å; C677-I729 PolarHBondContact N-O 2.85Å; H727-I729 VanDerWaalsContact C-N 3.3Å; H727-I729 PolarHBondContact O-N 3.12Å; I729-F731 HydrophobicContact CG2-CD2 4.21Å; I729-F731 HydrophobicContact CG2-CE2 3.55Å; I729-F731 HydrophobicContact CG2-CZ 3.96Å; I729-S817 WeakPolarHBondContact CA-O 3.31Å; I729-C821 HydrophobicContact CG2-CB 4.43Å; I729-V846 HydrophobicContact CD1-CG1 3.5Å; I729-V846 VanDerWaalsContact CD1-CG1 3.5Å; I729-L848 HydrophobicContact CD1-CD2 3.94Å
730	I	98.3	Very high	95.6	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.062	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.3	-175.4	-55.8	161.5	0	0	0	109	C677 I724 H727 V732 F779 W816 S817	C677-I730 HydrophobicContact CB-CG1 4.36Å; C677-I730 HydrophobicContact CB-CG2 4.44Å; C677-I730 CarbonylContact O-C 3.57Å; C677-I730 WeakPolarHBondContact O-CA 3.48Å; I724-I730 HydrophobicContact CG2-CD1 4.39Å; I724-I730 HydrophobicContact CG2-CG2 3.6Å; I724-I730 WeakPolarHBondContact O-CD1 3.19Å; I724-I730 WeakPolarHBondContact O-CG1 3.48Å; H727-I730 HydrophobicContact CB-CG1 4.14Å; I730-V732 HydrophobicContact CG2-CG2 4.27Å; I730-F779 HydrophobicContact CB-CE1 4.4Å; I730-F779 HydrophobicContact CB-CZ 4.42Å; I730-F779 HydrophobicContact CG2-CE1 3.93Å; I730-F779 HydrophobicContact CG2-CZ 3.85Å; I730-W816 CarbonylContact O-C 3.43Å; I730-W816 WeakPolarHBondContact O-CA 3.26Å; I730-W816 WeakPolarHBondContact O-CB 3.31Å; I730-S817 PolarHBondContact N-O 3.39Å; I730-S817 PolarHBondContact O-N 2.74Å
731	F	98.7	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.6	169.1	-64.5	-87	0	0	0	109.8	I510 V512 C677 F678 V679 I729 W816 F844 V846	I510-F731 HydrophobicContact CD1-CE2 4.04Å; I510-F731 HydrophobicContact CD1-CZ 4.35Å; V512-F731 HydrophobicContact CG2-CD1 4.14Å; V512-F731 HydrophobicContact CG2-CG 4.38Å; C677-F731 PolarHBondContact O-N 3.33Å; F678-F731 CarbonylContact C-O 3.57Å; F678-F731 HydrophobicContact CD1-CB 3.9Å; F678-F731 AromaticContact CD1-CD2 3.68Å; F678-F731 HydrophobicContact CD1-CD2 3.68Å; F678-F731 HydrophobicContact CD1-CG 4.09Å; F678-F731 HydrophobicContact CE1-CB 4.4Å; F678-F731 AromaticContact CE1-CD2 3.34Å; F678-F731 HydrophobicContact CE1-CD2 3.34Å; F678-F731 AromaticContact CE1-CE2 3.83Å; F678-F731 HydrophobicContact CE1-CE2 3.83Å; F678-F731 HydrophobicContact CE1-CG 4.08Å; F678-F731 HydrophobicContact CZ-CD2 4.23Å; F678-F731 HydrophobicContact CZ-CE2 4.45Å; V679-F731 PolarHBondContact N-O 2.92Å; I729-F731 HydrophobicContact CG2-CD2 4.21Å; I729-F731 HydrophobicContact CG2-CE2 3.55Å; I729-F731 HydrophobicContact CG2-CZ 3.96Å; F731-W816 HydrophobicContact CD1-CB 3.64Å; F731-W816 HydrophobicContact CE1-CB 3.75Å; F731-W816 HydrophobicContact CE1-CG 4.45Å; F731-W816 HydrophobicContact CG-CB 4.43Å; F731-F844 HydrophobicContact CD1-CD2 4.38Å; F731-F844 AromaticContact CD1-CE2 3.96Å; F731-F844 HydrophobicContact CD1-CE2 3.96Å; F731-F844 HydrophobicContact CD1-CZ 4.17Å; F731-F844 HydrophobicContact CE1-CD1 4.05Å; F731-F844 AromaticContact CE1-CD2 3.59Å; F731-F844 HydrophobicContact CE1-CD2 3.59Å; F731-F844 HydrophobicContact CE1-CE1 4.04Å; F731-F844 AromaticContact CE1-CE2 3.56Å; F731-F844 HydrophobicContact CE1-CE2 3.56Å; F731-F844 AromaticContact CE1-CG 3.83Å; F731-F844 HydrophobicContact CE1-CG 3.83Å; F731-F844 AromaticContact CE1-CZ 3.81Å; F731-F844 HydrophobicContact CE1-CZ 3.81Å; F731-F844 HydrophobicContact CZ-CD2 4.26Å; F731-F844 HydrophobicContact CZ-CG 4.3Å; F731-V846 HydrophobicContact CZ-CG2 4.33Å
732	V	98.5	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.7	170.5	170.5	0	0	0	0	107.5	V679 F697 I730 F779 I815	V679-V732 HydrophobicContact CB-CG2 4.14Å; V679-V732 HydrophobicContact CG2-CG2 4.41Å; F697-V732 HydrophobicContact CD2-CG1 4.49Å; F697-V732 HydrophobicContact CE2-CG1 3.75Å; F697-V732 HydrophobicContact CE2-CG2 4.06Å; F697-V732 HydrophobicContact CZ-CG1 4.44Å; F697-V732 HydrophobicContact CZ-CG2 4.27Å; I730-V732 HydrophobicContact CG2-CG2 4.27Å; V732-F779 HydrophobicContact CB-CE1 4.03Å; V732-F779 HydrophobicContact CG2-CE1 3.63Å; V732-F779 HydrophobicContact CG2-CZ 3.83Å; V732-I815 HydrophobicContact CB-CD1 4.22Å; V732-I815 HydrophobicContact CB-CG1 3.82Å; V732-I815 HydrophobicContact CG1-CD1 4.28Å; V732-I815 HydrophobicContact CG1-CG1 4.2Å; V732-I815 PolarHBondContact N-O 3.05Å; V732-I815 VanDerWaalsContact O-CG1 3.29Å; V732-I815 WeakPolarHBondContact O-CG1 3.18Å; V732-I815 PolarHBondContact O-N 3.48Å
733	F	98.8	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165.8	-173.9	65.9	-66.6	0	0	0	110.6	V512 G513 V546 M629 F678 V679 N680 C681 R813 I814	V512-F733 HydrophobicContact CG1-CB 4.21Å; V512-F733 HydrophobicContact CG1-CD1 4.03Å; V512-F733 HydrophobicContact CG1-CD2 3.47Å; V512-F733 VanDerWaalsContact CG1-CD2 3.47Å; V512-F733 HydrophobicContact CG1-CE1 4.29Å; V512-F733 HydrophobicContact CG1-CE2 3.73Å; V512-F733 HydrophobicContact CG1-CG 3.66Å; V512-F733 HydrophobicContact CG1-CZ 4.16Å; G513-F733 WeakPolarHBondContact O-CE2 3.41Å; V546-F733 HydrophobicContact CG1-CE1 4.14Å; V546-F733 HydrophobicContact CG1-CE2 4.25Å; V546-F733 HydrophobicContact CG1-CZ 3.51Å; M629-F733 HydrophobicContact CG-CZ 4.17Å; M629-F733 HydrophobicContact SD-CE1 3.73Å; M629-F733 HydrophobicContact SD-CZ 3.53Å; M629-F733 VanDerWaalsContact SD-CZ 3.53Å; F678-F733 HydrophobicContact CB-CE1 4.31Å; V679-F733 WeakPolarHBondContact O-CD1 3.39Å; V679-F733 PolarHBondContact O-N 2.83Å; N680-F733 CarbonylContact C-O 3.51Å; N680-F733 VanDerWaalsContact CA-O 3.32Å; N680-F733 WeakPolarHBondContact CA-O 3.28Å; N680-F733 HydrophobicContact CB-CE1 4.17Å; N680-F733 HydrophobicContact CB-CE2 4.28Å; N680-F733 HydrophobicContact CB-CZ 3.91Å; C681-F733 PolarHBondContact N-O 3.32Å; F733-R813 CarbonylContact C-O 3.58Å; F733-R813 WeakPolarHBondContact CA-O 3.45Å; F733-R813 WeakPolarHBondContact CB-O 3.34Å; F733-I814 HydrophobicContact CB-CB 4.23Å; F733-I814 HydrophobicContact CB-CG1 4Å; F733-I814 HydrophobicContact CB-CG2 4.14Å
734	G	98.6	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.4	-165.4	175.9	0	0	0	0	0	113.9	T514 Q550 C681 L736 D812 R813	T514-G734 VanDerWaalsContact OG1-CA 3.26Å; T514-G734 WeakPolarHBondContact OG1-CA 3.49Å; Q550-G734 VanDerWaalsContact NE2-CA 3.3Å; C681-G734 WeakPolarHBondContact O-CA 3.39Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 2.66Å; G734-L736 VanDerWaalsContact O-N 3.1Å; G734-D812 WeakPolarHBondContact O-CA 3.44Å; G734-R813 PolarHBondContact N-O 2.99Å; G734-R813 PolarHBondContact O-N 3.06Å
735	D	98.5	Very high	95.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.011	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	85.3	165.5	-177.6	0.7	0	0	0	108.8	N516 Q550 C681 H682 L683 N737 C811 H837	N516-D735 HydrophobicContact CB-CB 4.39Å; N516-D735 PolarHBondContact ND2-OD2 3.22Å; Q550-D735 HydrophobicContact CB-CB 4.33Å; Q550-D735 HydrophobicContact CG-CB 3.92Å; C681-D735 PolarHBondContact O-N 2.93Å; H682-D735 VanDerWaalsContact CA-O 3.31Å; H682-D735 WeakPolarHBondContact CA-O 3.5Å; H682-D735 IonicContact CD2-OD2 3.21Å; H682-D735 IonicContact NE2-OD2 3.23Å; L683-D735 PolarHBondContact N-O 2.68Å; D735-N737 PolarHBondContact O-N 3.47Å; D735-N737 WeakPolarHBondContact OD1-CA 3.26Å; D735-N737 VanDerWaalsContact OD1-CG 3.23Å; D735-N737 PolarHBondContact OD1-N 2.78Å; D735-N737 PolarHBondContact OD1-ND2 3.06Å; D735-N737 PolarHBondContact OD2-ND2 2.78Å; D735-C811 CarbonylContact C-O 3.57Å; D735-C811 WeakPolarHBondContact OD1-CB 3.22Å; D735-H837 IonicContact OD2-CE1 3.56Å; D735-H837 PolarHBondContact OD2-CE1 3Å; D735-H837 IonicContact OD2-NE2 2.7Å
736	L	98.2	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.156	C	C	.	.			trans	-74.4	-6.7	176.6	-53.2	-167.7	0	0	0	112	C681 L683 R693 G734 Y738 L766 C811 R813	C681-L736 HydrophobicContact CB-CD2 3.5Å; L683-L736 HydrophobicContact CD1-CB 4.11Å; L683-L736 HydrophobicContact CD1-CD2 4.11Å; L683-L736 HydrophobicContact CG-CD2 4.27Å; R693-L736 VanDerWaalsContact CD-O 3.29Å; R693-L736 WeakPolarHBondContact CD-O 3.45Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 2.66Å; G734-L736 VanDerWaalsContact O-N 3.1Å; L736-Y738 HydrophobicContact CB-CD2 3.66Å; L736-Y738 HydrophobicContact CB-CE2 4.03Å; L736-Y738 WeakPolarHBondContact O-CD2 3.42Å; L736-Y738 PolarHBondContact O-N 3.36Å; L736-L766 HydrophobicContact CD1-CD2 3.96Å; L736-C811 PolarHBondContact N-O 3.24Å; L736-R813 HydrophobicContact CB-CG 4.47Å; L736-R813 HydrophobicContact CD1-CB 3.76Å; L736-R813 HydrophobicContact CD1-CG 4.4Å; L736-R813 HydrophobicContact CG-CB 4.01Å; L736-R813 HydrophobicContact CG-CG 4.49Å
737	N	97.3	Very high	95.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	15%	0.152	C	C	.	.			trans	56.9	10.1	172.7	-106.8	-74.2	0	0	0	116.4	L683 A685 R693 D735 R739 C811	L683-N737 PolarHBondContact O-ND2 2.92Å; A685-N737 WeakPolarHBondContact CA-OD1 3.41Å; A685-N737 VanDerWaalsContact CB-OD1 3.28Å; A685-N737 WeakPolarHBondContact CB-OD1 3.46Å; R693-N737 VanDerWaalsContact CD-C 3.43Å; R693-N737 WeakPolarHBondContact CD-O 3.33Å; R693-N737 PolarHBondContact NE-O 3.01Å; D735-N737 PolarHBondContact O-N 3.47Å; D735-N737 WeakPolarHBondContact OD1-CA 3.26Å; D735-N737 VanDerWaalsContact OD1-CG 3.23Å; D735-N737 PolarHBondContact OD1-N 2.78Å; D735-N737 PolarHBondContact OD1-ND2 3.06Å; D735-N737 PolarHBondContact OD2-ND2 2.78Å; N737-R739 WeakPolarHBondContact O-CD 3.47Å; N737-R739 PolarHBondContact O-NE 3.27Å; N737-R739 PolarHBondContact OD1-NH2 3.46Å; N737-C811 PolarHBondContact N-O 2.72Å
738	Y	97.4	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.149	C	C	.	.			trans	-67	146.7	175.1	-72.1	-72.1	0	0	0	111.5	L683 L690 R693 N694 L736 E765 L766 L769 F776	L683-Y738 HydrophobicContact CD1-CE2 3.95Å; L690-Y738 HydrophobicContact CD1-CD1 3.91Å; L690-Y738 HydrophobicContact CD1-CE1 3.72Å; R693-Y738 HydrophobicContact CB-CD1 4.39Å; R693-Y738 HydrophobicContact CB-CE1 3.7Å; R693-Y738 HydrophobicContact CB-CE2 4.45Å; R693-Y738 HydrophobicContact CG-CE1 4.42Å; N694-Y738 PolarHBondContact OD1-OH 2.76Å; L736-Y738 HydrophobicContact CB-CD2 3.66Å; L736-Y738 HydrophobicContact CB-CE2 4.03Å; L736-Y738 WeakPolarHBondContact O-CD2 3.42Å; L736-Y738 PolarHBondContact O-N 3.36Å; Y738-E765 WeakPolarHBondContact CA-OE2 3.25Å; Y738-E765 HydrophobicContact CD1-CB 3.73Å; Y738-E765 WeakPolarHBondContact CD1-OE2 3.46Å; Y738-E765 HydrophobicContact CG-CB 4.36Å; Y738-L766 HydrophobicContact CD2-CB 3.86Å; Y738-L766 HydrophobicContact CD2-CD1 3.99Å; Y738-L766 HydrophobicContact CD2-CD2 4.27Å; Y738-L766 HydrophobicContact CD2-CG 4.26Å; Y738-L766 HydrophobicContact CE2-CD1 3.88Å; Y738-L766 HydrophobicContact CG-CB 3.86Å; Y738-L769 HydrophobicContact CD1-CD1 4.15Å; Y738-L769 HydrophobicContact CE1-CD1 3.41Å; Y738-L769 VanDerWaalsContact CE1-CD1 3.41Å; Y738-F776 HydrophobicContact CE2-CE2 4.15Å; Y738-F776 AromaticContact CE2-CZ 3.97Å; Y738-F776 HydrophobicContact CE2-CZ 3.97Å
739	R	96.6	Very high	96	Very high	8 Å²	8	22 Å²	22	3%	0.03	14%	0.14	C	C	.	.			trans	-118.7	160.5	-165.8	-53.6	-55	175	103.8	-14.2	113.8	E687 N737 E765 S809	E687-R739 HydrophobicContact CG-CB 4.46Å; E687-R739 HydrophobicContact CG-CG 4.43Å; N737-R739 WeakPolarHBondContact O-CD 3.47Å; N737-R739 PolarHBondContact O-NE 3.27Å; N737-R739 PolarHBondContact OD1-NH2 3.46Å; R739-E765 PolarHBondContact N-OE2 3.1Å; R739-E765 WeakPolarHBondContact O-CG 3.38Å; R739-E765 PolarHBondContact O-N 3.09Å; R739-S809 WeakPolarHBondContact CA-OG 3.49Å; R739-S809 WeakPolarHBondContact CD-OG 3.49Å
740	I	96.1	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-72.5	123.4	155.8	-61.3	-55.7	0	0	0	107.5	L743 V748 L760 D764 V807 P808 S809 Y810	I740-L743 HydrophobicContact CG2-CB 4.26Å; I740-L743 HydrophobicContact CG2-CD1 4.27Å; I740-V748 HydrophobicContact CG2-CG2 3.76Å; I740-L760 HydrophobicContact CD1-CD1 4Å; I740-L760 HydrophobicContact CD1-CG 3.88Å; I740-L760 HydrophobicContact CG1-CD1 3.95Å; I740-L760 HydrophobicContact CG1-CG 4.2Å; I740-L760 HydrophobicContact CG2-CD1 3.8Å; I740-D764 HydrophobicContact CD1-CB 4.1Å; I740-V807 HydrophobicContact CB-CG1 4.38Å; I740-P808 WeakPolarHBondContact CG1-O 3.39Å; I740-S809 PolarHBondContact N-OG 3.25Å; I740-Y810 HydrophobicContact CD1-CD2 4.08Å; I740-Y810 HydrophobicContact CD1-CE2 4.41Å
741	S	91.4	Very high	95.8	Very high	31 Å²	31	28 Å²	28	22%	0.217	17%	0.168	C	C	.	.			trans	-122.1	124	-172.3	51	0	0	0	0	111.1	Y763 K768	S741-Y763 PolarHBondContact N-O 3.42Å; S741-Y763 WeakPolarHBondContact O-CD1 3.4Å; S741-Y763 PolarHBondContact OG-O 3.48Å; S741-K768 PolarHBondContact OG-NZ 2.8Å
742	G	90.9	Very high	95.7	Very high	71 Å²	71	29 Å²	29	73%	0.732	17%	0.173	S	C	*	.	S	Bend	trans	93.7	12.8	178.5	0	0	0	0	0	116.1
743	L	93.4	Very high	95.6	Very high	44 Å²	44	37.6 Å²	37.6	23%	0.23	21%	0.211	C	C	.	.	S	Bend	trans	-126.4	149	168.8	-65.7	177.3	0	0	0	109.6	I740 V748 L760 Y763	I740-L743 HydrophobicContact CG2-CB 4.26Å; I740-L743 HydrophobicContact CG2-CD1 4.27Å; L743-V748 HydrophobicContact CB-CG2 3.6Å; L743-V748 HydrophobicContact CD1-CG2 4.12Å; L743-L760 HydrophobicContact CD1-CD1 4.03Å; L743-Y763 HydrophobicContact CD1-CD1 4.24Å; L743-Y763 HydrophobicContact CD1-CD2 3.57Å; L743-Y763 HydrophobicContact CD1-CE2 3.94Å; L743-Y763 HydrophobicContact CD1-CG 3.73Å; L743-Y763 HydrophobicContact CD2-CD1 4.31Å; L743-Y763 HydrophobicContact CD2-CE1 4Å; L743-Y763 HydrophobicContact CD2-CE2 4.29Å; L743-Y763 HydrophobicContact CG-CD1 3.81Å; L743-Y763 HydrophobicContact CG-CD2 4.06Å; L743-Y763 HydrophobicContact CG-CE1 4.03Å; L743-Y763 HydrophobicContact CG-CE2 4.27Å; L743-Y763 HydrophobicContact CG-CG 3.83Å
744	D	92.2	Very high	95.5	Very high	83 Å²	83	42.7 Å²	42.7	44%	0.444	23%	0.234	S	C	.	.			trans	-85.2	161.5	176.9	77.4	-21.5	0	0	0	112.6	P746 S747 V748	D744-P746 WeakPolarHBondContact OD2-CD 3.44Å; D744-S747 PolarHBondContact O-N 3.38Å; D744-S747 VanDerWaalsContact O-N 3.16Å; D744-S747 WeakPolarHBondContact OD1-CB 3.4Å; D744-S747 PolarHBondContact OD1-N 3.03Å; D744-S747 PolarHBondContact OD1-OG 3.14Å; D744-V748 WeakPolarHBondContact O-CG2 3.48Å; D744-V748 PolarHBondContact O-N 3.17Å
745	S	92.9	Very high	95.4	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-44.1	-179.3	176.2	0	0	0	0	112.6	V748 R749 N805	S745-V748 PolarHBondContact O-N 2.97Å; S745-R749 WeakPolarHBondContact O-CB 3.08Å; S745-R749 WeakPolarHBondContact O-CG 3.46Å; S745-R749 PolarHBondContact O-N 3.1Å; S745-R749 PolarHBondContact OG-NE 3.17Å; S745-N805 PolarHBondContact OG-OD1 3.24Å
746	P	94.1	Very high	95.2	Very high	77 Å²	77	53.2 Å²	53.2	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-53.7	-51.4	169.7	-29.2	35.6	0	0	0	115.2	D744 V748 R749 K750	D744-P746 WeakPolarHBondContact OD2-CD 3.44Å; P746-V748 PolarHBondContact O-N 3.04Å; P746-R749 PolarHBondContact O-N 3.12Å; P746-K750 WeakPolarHBondContact O-CB 3.49Å; P746-K750 PolarHBondContact O-N 2.94Å
747	S	95.5	Very high	95.1	Very high	52 Å²	52	54.7 Å²	54.7	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-37.3	-178	-58.2	0	0	0	0	112.3	D744 K750 S751	D744-S747 PolarHBondContact O-N 3.38Å; D744-S747 VanDerWaalsContact O-N 3.16Å; D744-S747 WeakPolarHBondContact OD1-CB 3.4Å; D744-S747 PolarHBondContact OD1-N 3.03Å; D744-S747 PolarHBondContact OD1-OG 3.14Å; S747-K750 PolarHBondContact O-N 3.45Å; S747-S751 PolarHBondContact O-N 2.94Å; S747-S751 PolarHBondContact O-OG 2.97Å
748	V	96.6	Very high	94.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-47.7	174.9	172.9	0	0	0	0	111	I740 L743 D744 S745 P746 K750 S751 I752 L760 V807 P808	I740-V748 HydrophobicContact CG2-CG2 3.76Å; L743-V748 HydrophobicContact CB-CG2 3.6Å; L743-V748 HydrophobicContact CD1-CG2 4.12Å; D744-V748 WeakPolarHBondContact O-CG2 3.48Å; D744-V748 PolarHBondContact O-N 3.17Å; S745-V748 PolarHBondContact O-N 2.97Å; P746-V748 PolarHBondContact O-N 3.04Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 3.35Å; V748-S751 PolarHBondContact O-N 3.11Å; V748-I752 HydrophobicContact CG1-CD1 3.77Å; V748-I752 HydrophobicContact CG1-CG1 4.47Å; V748-I752 WeakPolarHBondContact O-CD1 3.35Å; V748-I752 VanDerWaalsContact O-CG1 3.24Å; V748-I752 WeakPolarHBondContact O-CG1 3.3Å; V748-I752 PolarHBondContact O-N 3.5Å; V748-L760 HydrophobicContact CB-CD1 4.27Å; V748-L760 HydrophobicContact CG1-CD1 3.89Å; V748-L760 HydrophobicContact CG1-CD2 4.25Å; V748-L760 HydrophobicContact CG2-CD1 3.83Å; V748-V807 HydrophobicContact CB-CG1 4.08Å; V748-V807 HydrophobicContact CG1-CG1 4.3Å; V748-V807 HydrophobicContact CG2-CG1 3.64Å; V748-P808 HydrophobicContact CG1-CB 3.79Å; V748-P808 HydrophobicContact CG1-CG 3.92Å
749	R	95.8	Very high	94.7	Very high	69 Å²	69	60.7 Å²	60.7	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-57.9	-39	174.8	-72.1	170.3	-168.9	-110.9	2.2	111.8	S745 P746 I752 F753 Y799 D800 N805 P808	S745-R749 WeakPolarHBondContact O-CB 3.08Å; S745-R749 WeakPolarHBondContact O-CG 3.46Å; S745-R749 PolarHBondContact O-N 3.1Å; S745-R749 PolarHBondContact OG-NE 3.17Å; P746-R749 PolarHBondContact O-N 3.12Å; R749-I752 PolarHBondContact O-N 3.18Å; R749-F753 PolarHBondContact O-N 3.49Å; R749-Y799 PolarHBondContact NH1-O 3.46Å; R749-Y799 PolarHBondContact NH2-O 3.28Å; R749-D800 PolarHBondContact NH2-O 3.28Å; R749-N805 PolarHBondContact NH2-OD1 3.13Å; R749-P808 HydrophobicContact CG-CG 4.16Å
750	K	95.7	Very high	94.7	Very high	118 Å²	118	60.3 Å²	60.3	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-51.4	174	-169.7	-165.3	178.7	-117.4	0	111.7	P746 S747 V748 I752 F753 E754	P746-K750 WeakPolarHBondContact O-CB 3.49Å; P746-K750 PolarHBondContact O-N 2.94Å; S747-K750 PolarHBondContact O-N 3.45Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 3.35Å; K750-I752 PolarHBondContact O-N 3.05Å; K750-F753 WeakPolarHBondContact O-CB 3.48Å; K750-F753 PolarHBondContact O-N 2.71Å; K750-F753 VanDerWaalsContact O-N 3.08Å; K750-E754 VanDerWaalsContact CE-CD 3.44Å; K750-E754 WeakPolarHBondContact CE-OE1 3.39Å; K750-E754 VanDerWaalsContact CE-OE2 3.31Å; K750-E754 WeakPolarHBondContact CE-OE2 3.3Å; K750-E754 HydrophobicContact CG-CG 4.49Å; K750-E754 IonicContact NZ-OE1 3.8Å; K750-E754 PolarHBondContact NZ-OE1 3.03Å; K750-E754 IonicContact NZ-OE2 2.8Å; K750-E754 PolarHBondContact NZ-OE2 3Å; K750-E754 WeakPolarHBondContact O-CG 3.12Å; K750-E754 PolarHBondContact O-N 3.32Å
751	S	95.8	Very high	94.7	Very high	23 Å²	23	61.5 Å²	61.5	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-36	179.9	-52.8	0	0	0	0	112.1	S747 V748 E754 K755 D756	S747-S751 PolarHBondContact O-N 2.94Å; S747-S751 PolarHBondContact O-OG 2.97Å; V748-S751 PolarHBondContact O-N 3.11Å; S751-E754 CarbonylContact O-C 3.51Å; S751-K755 CarbonylContact O-C 3.6Å; S751-K755 PolarHBondContact O-N 3.32Å; S751-D756 PolarHBondContact O-N 2.93Å
752	I	96.4	Very high	94.9	Very high	20 Å²	20	66.5 Å²	66.5	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-41.6	175.6	-63.5	161.6	0	0	0	111.7	V748 R749 K750 K755 F757 L760 A787 P788 Y799 P808	V748-I752 HydrophobicContact CG1-CD1 3.77Å; V748-I752 HydrophobicContact CG1-CG1 4.47Å; V748-I752 WeakPolarHBondContact O-CD1 3.35Å; V748-I752 VanDerWaalsContact O-CG1 3.24Å; V748-I752 WeakPolarHBondContact O-CG1 3.3Å; V748-I752 PolarHBondContact O-N 3.5Å; R749-I752 PolarHBondContact O-N 3.18Å; K750-I752 PolarHBondContact O-N 3.05Å; I752-K755 PolarHBondContact O-N 3.49Å; I752-K755 VanDerWaalsContact O-N 3.11Å; I752-F757 HydrophobicContact CG2-CE1 4.46Å; I752-L760 HydrophobicContact CG1-CD2 3.97Å; I752-A787 HydrophobicContact CG2-CB 3.88Å; I752-P788 HydrophobicContact CD1-CB 4.45Å; I752-P788 HydrophobicContact CD1-CG 3.73Å; I752-P788 HydrophobicContact CG1-CG 4.07Å; I752-Y799 HydrophobicContact CD1-CE2 3.99Å; I752-Y799 HydrophobicContact CG2-CE2 4.02Å; I752-P808 HydrophobicContact CD1-CB 3.65Å; I752-P808 HydrophobicContact CD1-CG 3.96Å
753	F	95.5	Very high	95.1	Very high	181 Å²	181	67.6 Å²	67.6	79%	0.794	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-41.8	175	178.3	-93.1	0	0	0	111.9	R749 K750 K755	R749-F753 PolarHBondContact O-N 3.49Å; K750-F753 WeakPolarHBondContact O-CB 3.48Å; K750-F753 PolarHBondContact O-N 2.71Å; K750-F753 VanDerWaalsContact O-N 3.08Å; F753-K755 PolarHBondContact O-N 2.8Å
754	E	96.7	Very high	95.3	Very high	107 Å²	107	65.5 Å²	65.5	50%	0.5	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.8	173.7	-66.4	176.4	147.8	0	0	112.8	K750 S751 D756	K750-E754 VanDerWaalsContact CE-CD 3.44Å; K750-E754 WeakPolarHBondContact CE-OE1 3.39Å; K750-E754 VanDerWaalsContact CE-OE2 3.31Å; K750-E754 WeakPolarHBondContact CE-OE2 3.3Å; K750-E754 HydrophobicContact CG-CG 4.49Å; K750-E754 IonicContact NZ-OE1 3.8Å; K750-E754 PolarHBondContact NZ-OE1 3.03Å; K750-E754 IonicContact NZ-OE2 2.8Å; K750-E754 PolarHBondContact NZ-OE2 3Å; K750-E754 WeakPolarHBondContact O-CG 3.12Å; K750-E754 PolarHBondContact O-N 3.32Å; S751-E754 CarbonylContact O-C 3.51Å; E754-D756 PolarHBondContact O-N 3.47Å
755	K	95.6	Very high	95.4	Very high	161 Å²	161	62 Å²	62	70%	0.7	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	20.4	-174.9	-56.8	-177.8	-178.2	178.4	0	115.2	S751 I752 F753 F757	S751-K755 CarbonylContact O-C 3.6Å; S751-K755 PolarHBondContact O-N 3.32Å; I752-K755 PolarHBondContact O-N 3.49Å; I752-K755 VanDerWaalsContact O-N 3.11Å; F753-K755 PolarHBondContact O-N 2.8Å; K755-F757 HydrophobicContact CB-CZ 4.23Å; K755-F757 HydrophobicContact CG-CZ 4.4Å; K755-F757 PolarHBondContact O-N 2.93Å
756	D	95.7	Very high	95.6	Very high	63 Å²	63	61.6 Å²	61.6	34%	0.337	31%	0.305	S	S	.	.			trans	-79.9	70.2	172.9	-170.9	3.1	0	0	0	111.2	S751 E754 S758 S759 L760	S751-D756 PolarHBondContact O-N 2.93Å; E754-D756 PolarHBondContact O-N 3.47Å; D756-S758 PolarHBondContact O-N 2.87Å; D756-S758 PolarHBondContact OD1-N 3.39Å; D756-S759 PolarHBondContact OD1-N 2.84Å; D756-S759 PolarHBondContact OD1-OG 3.31Å; D756-S759 WeakPolarHBondContact OD2-CB 3.37Å; D756-S759 PolarHBondContact OD2-OG 2.91Å; D756-L760 PolarHBondContact O-N 3.38Å
757	F	95.7	Very high	95.6	Very high	31 Å²	31	60.1 Å²	60.1	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-28.5	171.4	-48.3	-39.6	0	0	0	111.2	I752 K755 L760 L761 A787	I752-F757 HydrophobicContact CG2-CE1 4.46Å; K755-F757 HydrophobicContact CB-CZ 4.23Å; K755-F757 HydrophobicContact CG-CZ 4.4Å; K755-F757 PolarHBondContact O-N 2.93Å; F757-L760 PolarHBondContact O-N 3.47Å; F757-L761 WeakPolarHBondContact O-CB 3.46Å; F757-L761 WeakPolarHBondContact O-CD1 3.36Å; F757-L761 WeakPolarHBondContact O-CG 3.38Å; F757-L761 PolarHBondContact O-N 2.99Å; F757-A787 HydrophobicContact CE1-CB 3.82Å; F757-A787 HydrophobicContact CZ-CB 3.94Å
758	S	93.3	Very high	95.5	Very high	89 Å²	89	61 Å²	61	62%	0.622	29%	0.289	S	S	*	.	H	α-helix	trans	-69	-35.3	-176.5	-66.2	0	0	0	0	113.1	D756 K762	D756-S758 PolarHBondContact O-N 2.87Å; D756-S758 PolarHBondContact OD1-N 3.39Å; S758-K762 WeakPolarHBondContact O-CE 3.36Å
759	S	93.6	Very high	95.3	Very high	40 Å²	40	62.5 Å²	62.5	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-78.8	-34	170	-62	0	0	0	0	112.6	D756 K762 Y763	D756-S759 PolarHBondContact OD1-N 2.84Å; D756-S759 PolarHBondContact OD1-OG 3.31Å; D756-S759 WeakPolarHBondContact OD2-CB 3.37Å; D756-S759 PolarHBondContact OD2-OG 2.91Å; S759-K762 WeakPolarHBondContact O-CB 3.42Å; S759-K762 PolarHBondContact O-N 3.12Å; S759-K762 PolarHBondContact OG-NZ 2.62Å; S759-Y763 WeakPolarHBondContact O-CD2 3.45Å
760	L	95.5	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-43.1	177.3	-176.3	60.7	0	0	0	112.3	I740 L743 V748 I752 D756 F757 K762 Y763 P788 Y810	I740-L760 HydrophobicContact CD1-CD1 4Å; I740-L760 HydrophobicContact CD1-CG 3.88Å; I740-L760 HydrophobicContact CG1-CD1 3.95Å; I740-L760 HydrophobicContact CG1-CG 4.2Å; I740-L760 HydrophobicContact CG2-CD1 3.8Å; L743-L760 HydrophobicContact CD1-CD1 4.03Å; V748-L760 HydrophobicContact CB-CD1 4.27Å; V748-L760 HydrophobicContact CG1-CD1 3.89Å; V748-L760 HydrophobicContact CG1-CD2 4.25Å; V748-L760 HydrophobicContact CG2-CD1 3.83Å; I752-L760 HydrophobicContact CG1-CD2 3.97Å; D756-L760 PolarHBondContact O-N 3.38Å; F757-L760 PolarHBondContact O-N 3.47Å; L760-K762 PolarHBondContact O-N 2.9Å; L760-Y763 WeakPolarHBondContact O-CB 3.22Å; L760-Y763 PolarHBondContact O-N 2.92Å; L760-P788 HydrophobicContact CD2-CG 3.74Å; L760-Y810 HydrophobicContact CD2-CE2 4.15Å
761	L	96.4	Very high	94.9	Very high	24 Å²	24	62.3 Å²	62.3	13%	0.126	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-64.4	-20.9	-178	-72.9	165	0	0	0	113.7	F757 Y763 D764 L767 I784 Y810	F757-L761 WeakPolarHBondContact O-CB 3.46Å; F757-L761 WeakPolarHBondContact O-CD1 3.36Å; F757-L761 WeakPolarHBondContact O-CG 3.38Å; F757-L761 PolarHBondContact O-N 2.99Å; L761-Y763 PolarHBondContact O-N 3.3Å; L761-Y763 VanDerWaalsContact O-N 3.1Å; L761-D764 HydrophobicContact CD2-CB 4.45Å; L761-D764 WeakPolarHBondContact O-CB 3.46Å; L761-D764 PolarHBondContact O-N 2.92Å; L761-L767 HydrophobicContact CB-CD1 3.93Å; L761-L767 HydrophobicContact CD2-CD1 3.88Å; L761-L767 HydrophobicContact CG-CD1 4.38Å; L761-I784 HydrophobicContact CD1-CB 3.89Å; L761-I784 HydrophobicContact CD1-CG2 4.15Å; L761-I784 HydrophobicContact CD2-CB 4.3Å; L761-I784 HydrophobicContact CD2-CD1 3.88Å; L761-I784 HydrophobicContact CD2-CG2 4.24Å; L761-Y810 HydrophobicContact CD2-CD2 3.7Å; L761-Y810 HydrophobicContact CD2-CE2 3.51Å; L761-Y810 HydrophobicContact CD2-CG 4.45Å; L761-Y810 HydrophobicContact CG-CE2 4.15Å
762	K	95	Very high	94.3	Very high	136 Å²	136	66.2 Å²	66.2	59%	0.591	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.7	170.1	-59.5	167.1	-170.6	157.1	0	112.8	S758 S759 L760 K768	S758-K762 WeakPolarHBondContact O-CE 3.36Å; S759-K762 WeakPolarHBondContact O-CB 3.42Å; S759-K762 PolarHBondContact O-N 3.12Å; S759-K762 PolarHBondContact OG-NZ 2.62Å; L760-K762 PolarHBondContact O-N 2.9Å; K762-K768 WeakPolarHBondContact O-CE 3.39Å
763	Y	96.1	Very high	93.5	Very high	94 Å²	94	73.5 Å²	73.5	37%	0.369	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-103.8	-3.7	178.8	-63.7	-92.2	0	0	0	113.2	S741 L743 S759 L760 L761 K768	S741-Y763 PolarHBondContact N-O 3.42Å; S741-Y763 WeakPolarHBondContact O-CD1 3.4Å; S741-Y763 PolarHBondContact OG-O 3.48Å; L743-Y763 HydrophobicContact CD1-CD1 4.24Å; L743-Y763 HydrophobicContact CD1-CD2 3.57Å; L743-Y763 HydrophobicContact CD1-CE2 3.94Å; L743-Y763 HydrophobicContact CD1-CG 3.73Å; L743-Y763 HydrophobicContact CD2-CD1 4.31Å; L743-Y763 HydrophobicContact CD2-CE1 4Å; L743-Y763 HydrophobicContact CD2-CE2 4.29Å; L743-Y763 HydrophobicContact CG-CD1 3.81Å; L743-Y763 HydrophobicContact CG-CD2 4.06Å; L743-Y763 HydrophobicContact CG-CE1 4.03Å; L743-Y763 HydrophobicContact CG-CE2 4.27Å; L743-Y763 HydrophobicContact CG-CG 3.83Å; S759-Y763 WeakPolarHBondContact O-CD2 3.45Å; L760-Y763 WeakPolarHBondContact O-CB 3.22Å; L760-Y763 PolarHBondContact O-N 2.92Å; L761-Y763 PolarHBondContact O-N 3.3Å; L761-Y763 VanDerWaalsContact O-N 3.1Å; Y763-K768 PolarHBondContact O-NZ 2.89Å; Y763-K768 VanDerWaalsContact O-NZ 3.08Å
764	D	96.5	Very high	92.5	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-68	131.3	177.9	-177.2	-106	0	0	0	112.4	I740 L761 L766 L767 K768 R813	I740-D764 HydrophobicContact CD1-CB 4.1Å; L761-D764 HydrophobicContact CD2-CB 4.45Å; L761-D764 WeakPolarHBondContact O-CB 3.46Å; L761-D764 PolarHBondContact O-N 2.92Å; D764-L766 WeakPolarHBondContact OD1-CB 3.47Å; D764-L766 PolarHBondContact OD1-N 2.91Å; D764-L767 HydrophobicContact CB-CB 4.46Å; D764-L767 HydrophobicContact CB-CD1 4.36Å; D764-L767 HydrophobicContact CB-CG 4.47Å; D764-L767 PolarHBondContact OD1-N 2.84Å; D764-K768 VanDerWaalsContact O-CD 3.29Å; D764-K768 WeakPolarHBondContact O-CD 3.33Å; D764-K768 WeakPolarHBondContact O-CG 3.33Å; D764-K768 PolarHBondContact O-N 2.93Å; D764-R813 VanDerWaalsContact CG-NH1 3.33Å; D764-R813 IonicContact OD1-CZ 3.17Å; D764-R813 IonicContact OD1-NH1 3.93Å; D764-R813 PolarHBondContact OD1-NH1 2.84Å; D764-R813 IonicContact OD1-NH2 3.1Å; D764-R813 PolarHBondContact OD1-NH2 2.75Å; D764-R813 IonicContact OD2-CZ 2.82Å; D764-R813 IonicContact OD2-NH1 3.76Å; D764-R813 PolarHBondContact OD2-NH1 2.9Å; D764-R813 IonicContact OD2-NH2 2.76Å
765	E	95.8	Very high	92	Very high	9 Å²	9	67 Å²	67	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-36.9	179.5	-73.2	171.5	163.8	0	0	113.6	L690 R693 Y738 R739 L769	L690-E765 HydrophobicContact CD1-CB 3.99Å; L690-E765 HydrophobicContact CD1-CG 4.03Å; L690-E765 HydrophobicContact CD2-CG 4.27Å; R693-E765 IonicContact CZ-OE2 3.97Å; R693-E765 VanDerWaalsContact CZ-OE2 3.32Å; R693-E765 IonicContact NE-OE2 3.95Å; R693-E765 PolarHBondContact NE-OE2 2.96Å; R693-E765 VanDerWaalsContact NE-OE2 3.13Å; R693-E765 IonicContact NH2-OE1 3.62Å; R693-E765 PolarHBondContact NH2-OE1 3.06Å; R693-E765 IonicContact NH2-OE2 2.77Å; R693-E765 PolarHBondContact NH2-OE2 2.93Å; Y738-E765 WeakPolarHBondContact CA-OE2 3.25Å; Y738-E765 HydrophobicContact CD1-CB 3.73Å; Y738-E765 WeakPolarHBondContact CD1-OE2 3.46Å; Y738-E765 HydrophobicContact CG-CB 4.36Å; R739-E765 PolarHBondContact N-OE2 3.1Å; R739-E765 WeakPolarHBondContact O-CG 3.38Å; R739-E765 PolarHBondContact O-N 3.09Å; E765-L769 WeakPolarHBondContact O-CD1 3.45Å; E765-L769 VanDerWaalsContact O-CG 3.3Å; E765-L769 WeakPolarHBondContact O-CG 3.27Å; E765-L769 PolarHBondContact O-N 2.7Å; E765-L769 VanDerWaalsContact O-N 3.14Å
766	L	96.2	Very high	91.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-73.1	-46.4	-174.4	177.7	58.8	0	0	0	111	L736 Y738 D764 K768 L769 M770 F776 R813 I815	L736-L766 HydrophobicContact CD1-CD2 3.96Å; Y738-L766 HydrophobicContact CD2-CB 3.86Å; Y738-L766 HydrophobicContact CD2-CD1 3.99Å; Y738-L766 HydrophobicContact CD2-CD2 4.27Å; Y738-L766 HydrophobicContact CD2-CG 4.26Å; Y738-L766 HydrophobicContact CE2-CD1 3.88Å; Y738-L766 HydrophobicContact CG-CB 3.86Å; D764-L766 WeakPolarHBondContact OD1-CB 3.47Å; D764-L766 PolarHBondContact OD1-N 2.91Å; L766-K768 VanDerWaalsContact C-N 3.33Å; L766-K768 PolarHBondContact O-N 2.85Å; L766-L769 WeakPolarHBondContact O-CB 3.34Å; L766-L769 PolarHBondContact O-N 3.06Å; L766-M770 HydrophobicContact CD1-CG 4.15Å; L766-M770 HydrophobicContact CD1-SD 4.15Å; L766-M770 HydrophobicContact CG-CG 4.44Å; L766-M770 HydrophobicContact CG-SD 3.98Å; L766-M770 WeakPolarHBondContact O-CG 3.35Å; L766-M770 PolarHBondContact O-N 2.79Å; L766-F776 HydrophobicContact CD1-CD2 3.67Å; L766-F776 HydrophobicContact CD1-CE2 3.4Å; L766-F776 VanDerWaalsContact CD1-CE2 3.4Å; L766-F776 HydrophobicContact CD1-CG 4.35Å; L766-F776 HydrophobicContact CD1-CZ 3.88Å; L766-R813 HydrophobicContact CD2-CB 4.2Å; L766-R813 HydrophobicContact CD2-CG 3.99Å; L766-I815 HydrophobicContact CD2-CG2 4.42Å
767	L	95.2	Very high	91.4	Very high	46 Å²	46	61.2 Å²	61.2	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-44.2	177.3	-67.7	177.2	0	0	0	111.4	L761 D764 L769 M770 E771	L761-L767 HydrophobicContact CB-CD1 3.93Å; L761-L767 HydrophobicContact CD2-CD1 3.88Å; L761-L767 HydrophobicContact CG-CD1 4.38Å; D764-L767 HydrophobicContact CB-CB 4.46Å; D764-L767 HydrophobicContact CB-CD1 4.36Å; D764-L767 HydrophobicContact CB-CG 4.47Å; D764-L767 PolarHBondContact OD1-N 2.84Å; L767-L769 VanDerWaalsContact C-N 3.27Å; L767-L769 PolarHBondContact O-N 2.88Å; L767-M770 PolarHBondContact O-N 3.01Å; L767-E771 WeakPolarHBondContact O-CG 3.46Å; L767-E771 PolarHBondContact O-N 3.34Å
768	K	93.2	Very high	91.2	Very high	70 Å²	70	61.3 Å²	61.3	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-56.6	-38.4	172.6	-70.4	168.7	-173.6	172	0	112.5	S741 K762 Y763 D764 L766 N772	S741-K768 PolarHBondContact OG-NZ 2.8Å; K762-K768 WeakPolarHBondContact O-CE 3.39Å; Y763-K768 PolarHBondContact O-NZ 2.89Å; Y763-K768 VanDerWaalsContact O-NZ 3.08Å; D764-K768 VanDerWaalsContact O-CD 3.29Å; D764-K768 WeakPolarHBondContact O-CD 3.33Å; D764-K768 WeakPolarHBondContact O-CG 3.33Å; D764-K768 PolarHBondContact O-N 2.93Å; L766-K768 VanDerWaalsContact C-N 3.33Å; L766-K768 PolarHBondContact O-N 2.85Å; K768-N772 PolarHBondContact O-N 3.4Å; K768-N772 PolarHBondContact O-ND2 2.96Å
769	L	92.1	Very high	91.3	Very high	32 Å²	32	58.5 Å²	58.5	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-41	177.7	-75.4	165.2	0	0	0	112.4	L690 N694 Y738 E765 L766 L767 N772 R773	L690-L769 HydrophobicContact CD1-CD1 4Å; N694-L769 WeakPolarHBondContact OD1-CD1 3.3Å; Y738-L769 HydrophobicContact CD1-CD1 4.15Å; Y738-L769 HydrophobicContact CE1-CD1 3.41Å; Y738-L769 VanDerWaalsContact CE1-CD1 3.41Å; E765-L769 WeakPolarHBondContact O-CD1 3.45Å; E765-L769 VanDerWaalsContact O-CG 3.3Å; E765-L769 WeakPolarHBondContact O-CG 3.27Å; E765-L769 PolarHBondContact O-N 2.7Å; E765-L769 VanDerWaalsContact O-N 3.14Å; L766-L769 WeakPolarHBondContact O-CB 3.34Å; L766-L769 PolarHBondContact O-N 3.06Å; L767-L769 VanDerWaalsContact C-N 3.27Å; L767-L769 PolarHBondContact O-N 2.88Å; L769-N772 PolarHBondContact O-N 3.1Å; L769-R773 PolarHBondContact O-N 3.34Å
770	M	93.4	Very high	91.4	Very high	26 Å²	26	61.5 Å²	61.5	13%	0.128	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-42.5	177.8	-67.6	177.6	74.9	0	0	111.8	L766 L767 N772 R773 F776 F779 E781 I815	L766-M770 HydrophobicContact CD1-CG 4.15Å; L766-M770 HydrophobicContact CD1-SD 4.15Å; L766-M770 HydrophobicContact CG-CG 4.44Å; L766-M770 HydrophobicContact CG-SD 3.98Å; L766-M770 WeakPolarHBondContact O-CG 3.35Å; L766-M770 PolarHBondContact O-N 2.79Å; L767-M770 PolarHBondContact O-N 3.01Å; M770-N772 VanDerWaalsContact C-N 3.26Å; M770-N772 PolarHBondContact O-N 3.04Å; M770-R773 PolarHBondContact O-N 3.27Å; M770-R773 VanDerWaalsContact O-N 3.15Å; M770-F776 HydrophobicContact CG-CB 3.95Å; M770-F776 HydrophobicContact CG-CD2 4.4Å; M770-F776 HydrophobicContact CG-CG 4.46Å; M770-F779 HydrophobicContact CE-CB 4.02Å; M770-F779 WeakPolarHBondContact CE-O 3.5Å; M770-E781 HydrophobicContact CE-CB 4.36Å; M770-E781 HydrophobicContact SD-CB 4.49Å; M770-I815 HydrophobicContact CE-CG2 4.27Å; M770-I815 HydrophobicContact SD-CG2 4.25Å
771	E	88.8	Confident	91.5	Very high	156 Å²	156	62.9 Å²	62.9	73%	0.729	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-39.1	172.9	-74.9	-179.6	163.3	0	0	112.3	L767 R773	L767-E771 WeakPolarHBondContact O-CG 3.46Å; L767-E771 PolarHBondContact O-N 3.34Å; E771-R773 VanDerWaalsContact C-N 3.29Å; E771-R773 PolarHBondContact O-N 2.74Å
772	N	83.5	Confident	91.5	Very high	106 Å²	106	62.2 Å²	62.2	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.2	-179.9	-83.5	-71	0	0	0	114.6	K768 L769 M770 N774	K768-N772 PolarHBondContact O-N 3.4Å; K768-N772 PolarHBondContact O-ND2 2.96Å; L769-N772 PolarHBondContact O-N 3.1Å; M770-N772 VanDerWaalsContact C-N 3.26Å; M770-N772 PolarHBondContact O-N 3.04Å; N772-N774 PolarHBondContact O-N 3.11Å; N772-N774 PolarHBondContact O-ND2 3.42Å
773	R	79.6	Confident	91.5	Very high	173 Å²	173	62.1 Å²	62.1	65%	0.653	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	10.1	177.1	-60.9	-177	-179.9	-116.6	8.3	117.5	L769 M770 E771 D777	L769-R773 PolarHBondContact O-N 3.34Å; M770-R773 PolarHBondContact O-N 3.27Å; M770-R773 VanDerWaalsContact O-N 3.15Å; E771-R773 VanDerWaalsContact C-N 3.29Å; E771-R773 PolarHBondContact O-N 2.74Å; R773-D777 HydrophobicContact CB-CB 4.37Å; R773-D777 IonicContact NH1-OD1 2.81Å; R773-D777 PolarHBondContact NH1-OD1 3.38Å; R773-D777 WeakPolarHBondContact O-CB 3.48Å
774	N	75.7	Confident	91.6	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	29%	0.289	S	S	*	.	S	Bend	trans	-84.1	-13.8	176.9	-78.1	-58.8	0	0	0	113	N772	N772-N774 PolarHBondContact O-N 3.11Å; N772-N774 PolarHBondContact O-ND2 3.42Å
775	L	84.8	Confident	91.5	Very high	15 Å²	15	63.8 Å²	63.8	8%	0.079	32%	0.319	C	S	.	.	S	Bend	trans	-149.7	142.7	175.1	-163.9	65.9	0	0	0	107	N694 F697 R698 D777	N694-L775 HydrophobicContact CB-CD2 3.88Å; F697-L775 HydrophobicContact CD1-CD1 3.91Å; F697-L775 HydrophobicContact CD1-CD2 4.41Å; F697-L775 HydrophobicContact CD1-CG 4.06Å; R698-L775 HydrophobicContact CG-CD1 3.6Å; L775-D777 VanDerWaalsContact C-N 3.27Å; L775-D777 PolarHBondContact O-N 2.8Å
776	F	91	Very high	91.6	Very high	8 Å²	8	64 Å²	64	4%	0.035	32%	0.32	C	S	.	.	S	Bend	trans	59.7	29.5	-172.8	-44.7	-81.9	0	0	0	114.4	F697 Y738 L766 M770 F779 I815	F697-F776 HydrophobicContact CB-CE1 4.49Å; F697-F776 HydrophobicContact CB-CZ 4.24Å; F697-F776 AromaticContact CD1-CD1 3.79Å; F697-F776 HydrophobicContact CD1-CD1 3.79Å; F697-F776 AromaticContact CD1-CE1 3.3Å; F697-F776 HydrophobicContact CD1-CE1 3.3Å; F697-F776 HydrophobicContact CD1-CE2 4.37Å; F697-F776 AromaticContact CD1-CZ 3.63Å; F697-F776 HydrophobicContact CD1-CZ 3.63Å; F697-F776 AromaticContact CD2-CE1 3.78Å; F697-F776 HydrophobicContact CD2-CE1 3.78Å; F697-F776 HydrophobicContact CD2-CZ 4.32Å; F697-F776 AromaticContact CE1-CD1 3.34Å; F697-F776 HydrophobicContact CE1-CD1 3.34Å; F697-F776 AromaticContact CE1-CE1 3.28Å; F697-F776 HydrophobicContact CE1-CE1 3.28Å; F697-F776 HydrophobicContact CE1-CG 4.18Å; F697-F776 HydrophobicContact CE1-CZ 4.07Å; F697-F776 HydrophobicContact CE2-CD1 4.32Å; F697-F776 AromaticContact CE2-CE1 3.76Å; F697-F776 HydrophobicContact CE2-CE1 3.76Å; F697-F776 HydrophobicContact CG-CD1 4.46Å; F697-F776 AromaticContact CG-CE1 3.56Å; F697-F776 HydrophobicContact CG-CE1 3.56Å; F697-F776 AromaticContact CG-CZ 3.77Å; F697-F776 HydrophobicContact CG-CZ 3.77Å; F697-F776 AromaticContact CZ-CD1 3.64Å; F697-F776 HydrophobicContact CZ-CD1 3.64Å; F697-F776 AromaticContact CZ-CE1 3.52Å; F697-F776 HydrophobicContact CZ-CE1 3.52Å; Y738-F776 HydrophobicContact CE2-CE2 4.15Å; Y738-F776 AromaticContact CE2-CZ 3.97Å; Y738-F776 HydrophobicContact CE2-CZ 3.97Å; L766-F776 HydrophobicContact CD1-CD2 3.67Å; L766-F776 HydrophobicContact CD1-CE2 3.4Å; L766-F776 VanDerWaalsContact CD1-CE2 3.4Å; L766-F776 HydrophobicContact CD1-CG 4.35Å; L766-F776 HydrophobicContact CD1-CZ 3.88Å; M770-F776 HydrophobicContact CG-CB 3.95Å; M770-F776 HydrophobicContact CG-CD2 4.4Å; M770-F776 HydrophobicContact CG-CG 4.46Å; F776-F779 HydrophobicContact CB-CB 4.17Å; F776-F779 HydrophobicContact CB-CD2 4.3Å; F776-F779 HydrophobicContact CB-CG 4.46Å; F776-F779 WeakPolarHBondContact O-CB 3.32Å; F776-F779 PolarHBondContact O-N 3.3Å; F776-F779 VanDerWaalsContact O-N 3.11Å; F776-I815 HydrophobicContact CB-CD1 4.44Å; F776-I815 HydrophobicContact CD1-CD1 3.44Å; F776-I815 VanDerWaalsContact CD1-CD1 3.44Å; F776-I815 HydrophobicContact CE1-CD1 3.9Å; F776-I815 HydrophobicContact CG-CD1 4.15Å
777	D	89	Confident	91.6	Very high	93 Å²	93	65.4 Å²	65.4	50%	0.497	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	145.2	171	-169.2	34	0	0	0	111	R773 L775 F779	R773-D777 HydrophobicContact CB-CB 4.37Å; R773-D777 IonicContact NH1-OD1 2.81Å; R773-D777 PolarHBondContact NH1-OD1 3.38Å; R773-D777 WeakPolarHBondContact O-CB 3.48Å; L775-D777 VanDerWaalsContact C-N 3.27Å; L775-D777 PolarHBondContact O-N 2.8Å; D777-F779 PolarHBondContact O-N 3.29Å
778	G	91	Very high	91.8	Very high	33 Å²	33	63.3 Å²	63.3	34%	0.34	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	0.1	-171.6	0	0	0	0	0	115.4	S817	G778-S817 VanDerWaalsContact O-CB 3.26Å; G778-S817 WeakPolarHBondContact O-CB 3.44Å; G778-S817 PolarHBondContact O-OG 3.23Å
779	F	95.7	Very high	92	Very high	30 Å²	30	60 Å²	60	13%	0.132	31%	0.306	C	S	.	.			trans	-91.8	153.4	171.7	-74.6	-98.9	0	0	0	112.5	I730 V732 M770 F776 D777 I815 W816	I730-F779 HydrophobicContact CB-CE1 4.4Å; I730-F779 HydrophobicContact CB-CZ 4.42Å; I730-F779 HydrophobicContact CG2-CE1 3.93Å; I730-F779 HydrophobicContact CG2-CZ 3.85Å; V732-F779 HydrophobicContact CB-CE1 4.03Å; V732-F779 HydrophobicContact CG2-CE1 3.63Å; V732-F779 HydrophobicContact CG2-CZ 3.83Å; M770-F779 HydrophobicContact CE-CB 4.02Å; M770-F779 WeakPolarHBondContact CE-O 3.5Å; F776-F779 HydrophobicContact CB-CB 4.17Å; F776-F779 HydrophobicContact CB-CD2 4.3Å; F776-F779 HydrophobicContact CB-CG 4.46Å; F776-F779 WeakPolarHBondContact O-CB 3.32Å; F776-F779 PolarHBondContact O-N 3.3Å; F776-F779 VanDerWaalsContact O-N 3.11Å; D777-F779 PolarHBondContact O-N 3.29Å; F779-I815 HydrophobicContact CB-CD1 4.13Å; F779-I815 HydrophobicContact CD1-CB 4.32Å; F779-I815 HydrophobicContact CD1-CD1 3.81Å; F779-I815 HydrophobicContact CD1-CG1 3.79Å; F779-I815 HydrophobicContact CE1-CD1 4.49Å; F779-I815 HydrophobicContact CE1-CG1 4.41Å; F779-I815 HydrophobicContact CG-CD1 4.07Å; F779-I815 HydrophobicContact CG-CG1 4.48Å; F779-W816 CarbonylContact C-O 3.58Å; F779-W816 VanDerWaalsContact CA-O 3.26Å; F779-W816 WeakPolarHBondContact CA-O 3.45Å
780	H	95.9	Very high	92.3	Very high	103 Å²	103	59.1 Å²	59.1	48%	0.477	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-130.3	147.4	177.1	-56.1	-56.8	0	0	0	110.1	I815 W816	H780-I815 CarbonylContact O-C 3.6Å; H780-I815 VanDerWaalsContact O-CA 3.24Å; H780-I815 WeakPolarHBondContact O-CA 3.48Å; H780-I815 WeakPolarHBondContact O-CB 3.23Å; H780-W816 HydrophobicContact CB-CD2 4.1Å; H780-W816 HydrophobicContact CB-CE3 4Å; H780-W816 HydrophobicContact CB-CH2 3.51Å; H780-W816 HydrophobicContact CB-CZ2 3.62Å; H780-W816 HydrophobicContact CB-CZ3 3.71Å; H780-W816 PolarHBondContact N-O 3.13Å; H780-W816 PolarHBondContact O-N 2.91Å
781	E	96.8	Very high	92.4	Very high	29 Å²	29	59.6 Å²	59.6	14%	0.136	30%	0.302	C	S	.	.			trans	-115.7	141.6	171	-168	160.3	-131.9	0	0	109.2	M770 R813 I815 Y826	M770-E781 HydrophobicContact CE-CB 4.36Å; M770-E781 HydrophobicContact SD-CB 4.49Å; E781-R813 VanDerWaalsContact CD-NE 3.35Å; E781-R813 WeakPolarHBondContact OE1-CD 3.27Å; E781-R813 IonicContact OE1-CZ 3.41Å; E781-R813 IonicContact OE1-NE 2.71Å; E781-R813 PolarHBondContact OE1-NE 3.03Å; E781-R813 IonicContact OE1-NH2 3.34Å; E781-R813 IonicContact OE2-CZ 3.32Å; E781-R813 IonicContact OE2-NE 2.68Å; E781-R813 PolarHBondContact OE2-NE 2.86Å; E781-R813 IonicContact OE2-NH2 2.62Å; E781-R813 PolarHBondContact OE2-NH2 3.36Å; E781-I815 HydrophobicContact CB-CG2 3.78Å; E781-I815 HydrophobicContact CG-CG2 3.9Å; E781-Y826 HydrophobicContact CG-CE1 4.06Å
782	P	96.2	Very high	92.8	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.071	27%	0.27	C	S	.	.			trans	-71.1	156.7	175	-10.6	25.7	0	0	0	110.7	I784 I814 W816 P823 Y826 F844	P782-I784 PolarHBondContact O-N 2.87Å; P782-I784 VanDerWaalsContact O-N 3.08Å; P782-I814 VanDerWaalsContact CD-O 3.27Å; P782-I814 WeakPolarHBondContact CD-O 3.26Å; P782-W816 HydrophobicContact CB-CZ3 4.5Å; P782-W816 HydrophobicContact CG-CE3 4.36Å; P782-W816 HydrophobicContact CG-CZ3 3.87Å; P782-P823 HydrophobicContact CB-CB 3.86Å; P782-P823 HydrophobicContact CB-CG 4.07Å; P782-P823 HydrophobicContact CG-CB 3.95Å; P782-P823 HydrophobicContact CG-CG 4.34Å; P782-Y826 HydrophobicContact CB-CD1 3.65Å; P782-Y826 HydrophobicContact CB-CG 3.84Å; P782-Y826 HydrophobicContact CG-CD1 3.81Å; P782-Y826 HydrophobicContact CG-CD2 4.46Å; P782-Y826 HydrophobicContact CG-CE1 4.38Å; P782-Y826 HydrophobicContact CG-CG 3.86Å; P782-Y826 WeakPolarHBondContact O-CD1 3.31Å; P782-F844 HydrophobicContact CG-CE1 4.4Å; P782-F844 HydrophobicContact CG-CZ 4.4Å
783	I	95.4	Very high	93.3	Very high	134 Å²	134	49.2 Å²	49.2	69%	0.687	25%	0.251	S	S	*	.			trans	-60	116.6	-178.2	-56.1	175.6	0	0	0	110.5	N785	I783-N785 PolarHBondContact O-N 2.86Å; I783-N785 PolarHBondContact O-ND2 2.79Å
784	I	97.4	Very high	93.8	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	24%	0.236	C	C	.	.			trans	-75.6	104.6	178.7	-66.1	168.6	0	0	0	109.3	L761 P782 F786 Y810 Y826	L761-I784 HydrophobicContact CD1-CB 3.89Å; L761-I784 HydrophobicContact CD1-CG2 4.15Å; L761-I784 HydrophobicContact CD2-CB 4.3Å; L761-I784 HydrophobicContact CD2-CD1 3.88Å; L761-I784 HydrophobicContact CD2-CG2 4.24Å; P782-I784 PolarHBondContact O-N 2.87Å; P782-I784 VanDerWaalsContact O-N 3.08Å; I784-F786 HydrophobicContact CB-CE1 4.45Å; I784-F786 HydrophobicContact CG1-CE1 4.34Å; I784-F786 HydrophobicContact CG1-CZ 4.25Å; I784-F786 HydrophobicContact CG2-CD1 4.22Å; I784-F786 HydrophobicContact CG2-CD2 4.27Å; I784-F786 HydrophobicContact CG2-CE1 4.08Å; I784-F786 HydrophobicContact CG2-CE2 4.14Å; I784-F786 HydrophobicContact CG2-CG 4.31Å; I784-F786 HydrophobicContact CG2-CZ 4.04Å; I784-Y810 HydrophobicContact CG2-CD1 4.01Å; I784-Y810 HydrophobicContact CG2-CE1 3.43Å; I784-Y810 VanDerWaalsContact CG2-CE1 3.43Å; I784-Y826 HydrophobicContact CD1-CE1 4.43Å; I784-Y826 HydrophobicContact CG1-CD1 4.11Å; I784-Y826 HydrophobicContact CG1-CE1 3.66Å
785	N	95.1	Very high	94.5	Very high	120 Å²	120	43.4 Å²	43.4	64%	0.642	23%	0.232	S	C	*	.			trans	-109.1	21.8	177.3	-68.4	-50.8	0	0	0	112.7	I783	I783-N785 PolarHBondContact O-N 2.86Å; I783-N785 PolarHBondContact O-ND2 2.79Å
786	F	97.1	Very high	95	Very high	14 Å²	14	44 Å²	44	6%	0.061	24%	0.237	C	C	.	.	S	Bend	trans	-127.7	162.3	-176.4	55.8	-94.5	0	0	0	111.7	I784 T789 Y810 Y826 S828 V840	I784-F786 HydrophobicContact CB-CE1 4.45Å; I784-F786 HydrophobicContact CG1-CE1 4.34Å; I784-F786 HydrophobicContact CG1-CZ 4.25Å; I784-F786 HydrophobicContact CG2-CD1 4.22Å; I784-F786 HydrophobicContact CG2-CD2 4.27Å; I784-F786 HydrophobicContact CG2-CE1 4.08Å; I784-F786 HydrophobicContact CG2-CE2 4.14Å; I784-F786 HydrophobicContact CG2-CG 4.31Å; I784-F786 HydrophobicContact CG2-CZ 4.04Å; F786-T789 HydrophobicContact CD2-CG2 4.35Å; F786-T789 HydrophobicContact CE2-CG2 4.03Å; F786-Y810 HydrophobicContact CD2-CD1 4.46Å; F786-Y810 HydrophobicContact CD2-CE1 4.06Å; F786-Y810 HydrophobicContact CE2-CD1 4.05Å; F786-Y810 HydrophobicContact CE2-CE1 4.08Å; F786-Y810 WeakPolarHBondContact O-CE1 3.16Å; F786-Y810 PolarHBondContact O-OH 2.86Å; F786-Y826 AromaticContact CE1-CD1 3.69Å; F786-Y826 HydrophobicContact CE1-CD1 3.69Å; F786-Y826 HydrophobicContact CE1-CD2 4.18Å; F786-Y826 AromaticContact CE1-CE1 3.81Å; F786-Y826 HydrophobicContact CE1-CE1 3.81Å; F786-Y826 HydrophobicContact CE1-CE2 4.28Å; F786-Y826 AromaticContact CE1-CG 3.88Å; F786-Y826 HydrophobicContact CE1-CG 3.88Å; F786-Y826 HydrophobicContact CZ-CD1 4.19Å; F786-Y826 AromaticContact CZ-CE1 3.81Å; F786-Y826 HydrophobicContact CZ-CE1 3.81Å; F786-Y826 HydrophobicContact CZ-CE2 4.18Å; F786-Y826 AromaticContact CZ-CZ 3.78Å; F786-S828 WeakPolarHBondContact CB-OG 3.43Å; F786-S828 WeakPolarHBondContact CD2-OG 3.19Å; F786-V840 HydrophobicContact CE2-CG2 4.4Å; F786-V840 HydrophobicContact CZ-CG1 4.28Å
787	A	97.5	Very high	95.1	Very high	29 Å²	29	47.7 Å²	47.7	24%	0.24	26%	0.257	C	S	.	.			trans	-76.2	155.5	179.6	0	0	0	0	0	112.4	I752 F757 T789	I752-A787 HydrophobicContact CG2-CB 3.88Å; F757-A787 HydrophobicContact CE1-CB 3.82Å; F757-A787 HydrophobicContact CZ-CB 3.94Å; A787-T789 PolarHBondContact O-N 2.99Å
788	P	98.1	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.258	C	S	.	.			trans	-51	134.7	178.1	-29.7	37.6	0	0	0	113.7	I752 L760 Y799 P808 Y810	I752-P788 HydrophobicContact CD1-CB 4.45Å; I752-P788 HydrophobicContact CD1-CG 3.73Å; I752-P788 HydrophobicContact CG1-CG 4.07Å; L760-P788 HydrophobicContact CD2-CG 3.74Å; P788-Y799 WeakPolarHBondContact O-CE1 3.44Å; P788-Y799 PolarHBondContact O-OH 2.9Å; P788-P808 HydrophobicContact CB-CB 3.9Å; P788-P808 HydrophobicContact CG-CB 4.25Å; P788-Y810 HydrophobicContact CB-CE1 4.42Å; P788-Y810 HydrophobicContact CG-CD2 4.21Å; P788-Y810 HydrophobicContact CG-CE1 4.15Å; P788-Y810 HydrophobicContact CG-CE2 3.73Å
789	T	98.3	Very high	95.7	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.246	C	C	.	.			trans	-85.1	-13.9	-169.8	54.8	0	0	0	0	113.7	F786 A787 F792 S809 D812 H837 K838 V840	F786-T789 HydrophobicContact CD2-CG2 4.35Å; F786-T789 HydrophobicContact CE2-CG2 4.03Å; A787-T789 PolarHBondContact O-N 2.99Å; T789-F792 WeakPolarHBondContact O-CD2 3.5Å; T789-F792 WeakPolarHBondContact O-CE2 3.37Å; T789-S809 PolarHBondContact N-O 3.06Å; T789-D812 VanDerWaalsContact CB-OD2 3.27Å; T789-D812 WeakPolarHBondContact CB-OD2 3.39Å; T789-D812 HydrophobicContact CG2-CB 4.4Å; T789-D812 PolarHBondContact OG1-N 3.17Å; T789-D812 PolarHBondContact OG1-OD2 3.05Å; T789-H837 WeakPolarHBondContact O-CA 3.45Å; T789-K838 PolarHBondContact O-N 2.9Å; T789-V840 HydrophobicContact CG2-CG2 3.44Å; T789-V840 VanDerWaalsContact CG2-CG2 3.44Å
790	Y	98.1	Very high	95.6	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.055	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-129.1	150.1	180	-178.7	-107.7	0	0	0	110.1	R806 P808 S809 C811 H837	Y790-R806 PolarHBondContact OH-NH1 3.32Å; Y790-P808 CarbonylContact O-C 3.57Å; Y790-P808 WeakPolarHBondContact O-CA 2.96Å; Y790-S809 PolarHBondContact N-O 2.9Å; Y790-S809 PolarHBondContact O-N 3.44Å; Y790-C811 VanDerWaalsContact CB-SG 3.58Å; Y790-C811 VanDerWaalsContact CD1-SG 3.5Å; Y790-C811 HydrophobicContact CG-CB 4.45Å; Y790-H837 AromaticContact CD2-CD2 3.5Å; Y790-H837 AromaticContact CD2-CE1 3.48Å; Y790-H837 VanDerWaalsContact CD2-CE1 3.48Å; Y790-H837 WeakPolarHBondContact CD2-CE1 3.49Å; Y790-H837 AromaticContact CD2-CG 3.97Å; Y790-H837 AromaticContact CD2-ND1 3.95Å; Y790-H837 AromaticContact CD2-NE2 3.14Å; Y790-H837 WeakPolarHBondContact CD2-NE2 3.35Å; Y790-H837 AromaticContact CE2-CD2 3.89Å; Y790-H837 AromaticContact CE2-NE2 3.35Å; Y790-H837 VanDerWaalsContact CE2-NE2 3.35Å; Y790-H837 WeakPolarHBondContact CE2-NE2 3.1Å
791	K	96.2	Very high	95.4	Very high	36 Å²	36	45.1 Å²	45.1	16%	0.157	25%	0.249	C	C	.	.			cis	-109.1	133.3	-11.7	-179.8	-175.8	154.1	62.2	0	109.2	Y799 D800 R806 D836	K791-Y799 CarbonylContact O-C 3.52Å; K791-Y799 WeakPolarHBondContact O-CA 3.43Å; K791-Y799 WeakPolarHBondContact O-CD1 3.49Å; K791-D800 HydrophobicContact CB-CB 4.11Å; K791-D800 HydrophobicContact CD-CB 3.96Å; K791-D800 HydrophobicContact CG-CB 4.11Å; K791-D800 PolarHBondContact O-N 2.92Å; K791-R806 HydrophobicContact CB-CB 4.44Å; K791-D836 HydrophobicContact CG-CB 3.96Å; K791-D836 IonicContact NZ-OD2 2.73Å; K791-D836 PolarHBondContact NZ-OD2 2.65Å
792	F	96.6	Very high	95.2	Very high	10 Å²	10	46.1 Å²	46.1	4%	0.044	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-99.9	157.4	175.2	-68.9	-88.8	0	0	0	113	T789 V798 Y799 D836 K838	T789-F792 WeakPolarHBondContact O-CD2 3.5Å; T789-F792 WeakPolarHBondContact O-CE2 3.37Å; F792-V798 CarbonylContact C-O 3.55Å; F792-V798 VanDerWaalsContact CA-O 3.27Å; F792-V798 WeakPolarHBondContact CA-O 3.45Å; F792-V798 WeakPolarHBondContact CD1-O 3.3Å; F792-Y799 HydrophobicContact CD1-CD1 4.32Å; F792-Y799 HydrophobicContact CD1-CE1 4.42Å; F792-Y799 HydrophobicContact CD2-CE1 4.35Å; F792-Y799 HydrophobicContact CE1-CD1 4.03Å; F792-Y799 HydrophobicContact CE1-CD2 4.39Å; F792-Y799 AromaticContact CE1-CE1 3.76Å; F792-Y799 HydrophobicContact CE1-CE1 3.76Å; F792-Y799 HydrophobicContact CE1-CE2 4.15Å; F792-Y799 HydrophobicContact CE1-CG 4.33Å; F792-Y799 AromaticContact CE1-CZ 3.83Å; F792-Y799 HydrophobicContact CE2-CD1 4.28Å; F792-Y799 AromaticContact CE2-CE1 3.65Å; F792-Y799 HydrophobicContact CE2-CE1 3.65Å; F792-Y799 HydrophobicContact CZ-CD1 4.01Å; F792-Y799 AromaticContact CZ-CE1 3.32Å; F792-Y799 HydrophobicContact CZ-CE1 3.32Å; F792-Y799 HydrophobicContact CZ-CE2 4.2Å; F792-Y799 AromaticContact CZ-CZ 3.44Å; F792-Y799 VanDerWaalsContact CZ-CZ 3.44Å; F792-D836 PolarHBondContact N-O 3.11Å; F792-D836 WeakPolarHBondContact O-CB 3.19Å; F792-K838 HydrophobicContact CD2-CD 4.18Å; F792-K838 HydrophobicContact CD2-CG 3.82Å; F792-K838 HydrophobicContact CE2-CD 4.21Å; F792-K838 HydrophobicContact CE2-CG 3.47Å; F792-K838 VanDerWaalsContact CE2-CG 3.47Å; F792-K838 HydrophobicContact CZ-CG 4.05Å
793	D	94.7	Very high	94.7	Very high	34 Å²	34	54 Å²	54	18%	0.182	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-75.9	137.4	162.2	-65.2	-38.5	0	0	0	109.5	N795 S796 V798 D800 S801	D793-N795 PolarHBondContact O-N 3.33Å; D793-S796 WeakPolarHBondContact O-CB 3.35Å; D793-S796 PolarHBondContact O-N 2.82Å; D793-S796 VanDerWaalsContact O-N 3.15Å; D793-S796 PolarHBondContact O-OG 2.83Å; D793-V798 PolarHBondContact N-O 2.81Å; D793-D800 WeakPolarHBondContact OD1-CA 3.27Å; D793-S801 VanDerWaalsContact CG-OG 3.26Å; D793-S801 PolarHBondContact OD1-N 3.28Å; D793-S801 PolarHBondContact OD1-OG 2.86Å; D793-S801 WeakPolarHBondContact OD2-CB 3.32Å; D793-S801 PolarHBondContact OD2-N 2.98Å; D793-S801 VanDerWaalsContact OD2-N 3.09Å; D793-S801 PolarHBondContact OD2-OG 3.26Å
794	M	90.2	Very high	94.4	Very high	68 Å²	68	55 Å²	55	34%	0.335	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.3	-174.8	-61.5	-63.2	-63	0	0	111.9	R520 S796 C834 D836	R520-M794 HydrophobicContact CG-CE 4.11Å; M794-S796 PolarHBondContact O-N 3.42Å; M794-C834 WeakPolarHBondContact CE-O 3.49Å; M794-D836 HydrophobicContact SD-CB 4.16Å
795	N	90.5	Very high	94	Very high	120 Å²	120	58.2 Å²	58.2	64%	0.642	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	26	-177.6	-53.7	-40.2	0	0	0	114.3	D793 V833	D793-N795 PolarHBondContact O-N 3.33Å; N795-V833 WeakPolarHBondContact CA-O 3.35Å; N795-V833 PolarHBondContact N-O 3.25Å
796	S	93.4	Very high	93.8	Very high	27 Å²	27	56.7 Å²	56.7	19%	0.189	30%	0.302	C	S	.	.	S	Bend	trans	-138.3	-180	-180	87.7	0	0	0	0	114.6	D793 M794 V798 K838	D793-S796 WeakPolarHBondContact O-CB 3.35Å; D793-S796 PolarHBondContact O-N 2.82Å; D793-S796 VanDerWaalsContact O-N 3.15Å; D793-S796 PolarHBondContact O-OG 2.83Å; M794-S796 PolarHBondContact O-N 3.42Å; S796-V798 PolarHBondContact OG-N 2.7Å; S796-K838 PolarHBondContact O-NZ 2.95Å
797	N	94.6	Very high	93.8	Very high	86 Å²	86	56.9 Å²	56.9	46%	0.46	31%	0.305	S	S	.	.	S	Bend	trans	-115.3	23.4	162.5	-82.8	-46.4	0	0	0	112	P830 K838	N797-P830 PolarHBondContact ND2-O 3.41Å; N797-P830 PolarHBondContact OD1-O 3.47Å; N797-K838 WeakPolarHBondContact OD1-CE 3.25Å; N797-K838 PolarHBondContact OD1-NZ 2.91Å
798	V	95.5	Very high	93.8	Very high	83 Å²	83	55.5 Å²	55.5	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-91	134.3	173.8	-178.1	0	0	0	0	109	F792 D793 S796	F792-V798 CarbonylContact C-O 3.55Å; F792-V798 VanDerWaalsContact CA-O 3.27Å; F792-V798 WeakPolarHBondContact CA-O 3.45Å; F792-V798 WeakPolarHBondContact CD1-O 3.3Å; D793-V798 PolarHBondContact N-O 2.81Å; S796-V798 PolarHBondContact OG-N 2.7Å
799	Y	96.3	Very high	93.7	Very high	27 Å²	27	55.5 Å²	55.5	11%	0.106	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-76.2	135.7	174.3	-73.6	-74.7	0	0	0	111.4	R749 I752 P788 K791 F792 S801 P808	R749-Y799 PolarHBondContact NH1-O 3.46Å; R749-Y799 PolarHBondContact NH2-O 3.28Å; I752-Y799 HydrophobicContact CD1-CE2 3.99Å; I752-Y799 HydrophobicContact CG2-CE2 4.02Å; P788-Y799 WeakPolarHBondContact O-CE1 3.44Å; P788-Y799 PolarHBondContact O-OH 2.9Å; K791-Y799 CarbonylContact O-C 3.52Å; K791-Y799 WeakPolarHBondContact O-CA 3.43Å; K791-Y799 WeakPolarHBondContact O-CD1 3.49Å; F792-Y799 HydrophobicContact CD1-CD1 4.32Å; F792-Y799 HydrophobicContact CD1-CE1 4.42Å; F792-Y799 HydrophobicContact CD2-CE1 4.35Å; F792-Y799 HydrophobicContact CE1-CD1 4.03Å; F792-Y799 HydrophobicContact CE1-CD2 4.39Å; F792-Y799 AromaticContact CE1-CE1 3.76Å; F792-Y799 HydrophobicContact CE1-CE1 3.76Å; F792-Y799 HydrophobicContact CE1-CE2 4.15Å; F792-Y799 HydrophobicContact CE1-CG 4.33Å; F792-Y799 AromaticContact CE1-CZ 3.83Å; F792-Y799 HydrophobicContact CE2-CD1 4.28Å; F792-Y799 AromaticContact CE2-CE1 3.65Å; F792-Y799 HydrophobicContact CE2-CE1 3.65Å; F792-Y799 HydrophobicContact CZ-CD1 4.01Å; F792-Y799 AromaticContact CZ-CE1 3.32Å; F792-Y799 HydrophobicContact CZ-CE1 3.32Å; F792-Y799 HydrophobicContact CZ-CE2 4.2Å; F792-Y799 AromaticContact CZ-CZ 3.44Å; F792-Y799 VanDerWaalsContact CZ-CZ 3.44Å; Y799-S801 PolarHBondContact O-N 2.83Å; Y799-P808 HydrophobicContact CD1-CB 3.82Å; Y799-P808 HydrophobicContact CD1-CG 3.71Å; Y799-P808 HydrophobicContact CD2-CG 4.37Å; Y799-P808 HydrophobicContact CE1-CB 3.72Å; Y799-P808 HydrophobicContact CE1-CG 4.1Å; Y799-P808 HydrophobicContact CG-CB 4.42Å; Y799-P808 HydrophobicContact CG-CG 3.87Å
800	D	93.5	Very high	93.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.011	29%	0.293	C	S	.	.			trans	-12.2	100.4	-177.3	-174.8	19.1	0	0	0	115	R749 K791 D793 S802 R806	R749-D800 PolarHBondContact NH2-O 3.28Å; K791-D800 HydrophobicContact CB-CB 4.11Å; K791-D800 HydrophobicContact CD-CB 3.96Å; K791-D800 HydrophobicContact CG-CB 4.11Å; K791-D800 PolarHBondContact O-N 2.92Å; D793-D800 WeakPolarHBondContact OD1-CA 3.27Å; D800-S802 VanDerWaalsContact OD1-CB 3.29Å; D800-S802 WeakPolarHBondContact OD1-CB 3.26Å; D800-S802 PolarHBondContact OD1-N 3Å; D800-S802 PolarHBondContact OD1-OG 3.45Å; D800-R806 HydrophobicContact CB-CB 4.47Å; D800-R806 VanDerWaalsContact OD2-CB 3.32Å; D800-R806 WeakPolarHBondContact OD2-CB 3.06Å; D800-R806 VanDerWaalsContact OD2-CG 3.3Å; D800-R806 WeakPolarHBondContact OD2-CG 3.44Å; D800-R806 PolarHBondContact OD2-N 3.38Å
801	S	92.1	Very high	93.7	Very high	92 Å²	92	54.8 Å²	54.8	64%	0.643	29%	0.291	S	S	*	.			trans	-91.7	4	176.5	60.6	0	0	0	0	113.8	D793 Y799	D793-S801 VanDerWaalsContact CG-OG 3.26Å; D793-S801 PolarHBondContact OD1-N 3.28Å; D793-S801 PolarHBondContact OD1-OG 2.86Å; D793-S801 WeakPolarHBondContact OD2-CB 3.32Å; D793-S801 PolarHBondContact OD2-N 2.98Å; D793-S801 VanDerWaalsContact OD2-N 3.09Å; D793-S801 PolarHBondContact OD2-OG 3.26Å; Y799-S801 PolarHBondContact O-N 2.83Å
802	S	92.4	Very high	93.9	Very high	51 Å²	51	53.1 Å²	53.1	36%	0.357	28%	0.283	S	S	.	.	S	Bend	trans	-69.5	165.2	174.7	76.7	0	0	0	0	112.5	D800 K804 N805	D800-S802 VanDerWaalsContact OD1-CB 3.29Å; D800-S802 WeakPolarHBondContact OD1-CB 3.26Å; D800-S802 PolarHBondContact OD1-N 3Å; D800-S802 PolarHBondContact OD1-OG 3.45Å; S802-K804 PolarHBondContact O-N 3.04Å; S802-K804 PolarHBondContact OG-N 3.24Å; S802-N805 PolarHBondContact O-N 2.86Å
803	D	86.6	Confident	94	Very high	176 Å²	176	52.6 Å²	52.6	94%	0.941	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-15.5	176.6	-46.2	-51.3	0	0	0	114.1
804	K	87.4	Confident	94.2	Very high	156 Å²	156	51 Å²	51	68%	0.678	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.3	177.4	-65.7	170.9	-176.6	166.5	0	113.3	S802 R806	S802-K804 PolarHBondContact O-N 3.04Å; S802-K804 PolarHBondContact OG-N 3.24Å; K804-R806 VanDerWaalsContact C-N 3.28Å; K804-R806 HydrophobicContact CB-CG 4.39Å; K804-R806 PolarHBondContact O-N 2.78Å
805	N	89.9	Confident	94.5	Very high	75 Å²	75	47.8 Å²	47.8	40%	0.401	26%	0.256	S	S	.	.			trans	30.1	57.3	174.1	-174.3	4.2	0	0	0	113.8	S745 R749 S802 V807	S745-N805 PolarHBondContact OG-OD1 3.24Å; R749-N805 PolarHBondContact NH2-OD1 3.13Å; S802-N805 PolarHBondContact O-N 2.86Å; N805-V807 PolarHBondContact O-N 3.16Å
806	R	91.4	Very high	94.9	Very high	88 Å²	88	43.2 Å²	43.2	33%	0.332	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-64.3	135	-169.1	-72.2	-178.8	170	-148.6	-10.1	111.5	Y790 K791 D800 K804 P808	Y790-R806 PolarHBondContact OH-NH1 3.32Å; K791-R806 HydrophobicContact CB-CB 4.44Å; D800-R806 HydrophobicContact CB-CB 4.47Å; D800-R806 VanDerWaalsContact OD2-CB 3.32Å; D800-R806 WeakPolarHBondContact OD2-CB 3.06Å; D800-R806 VanDerWaalsContact OD2-CG 3.3Å; D800-R806 WeakPolarHBondContact OD2-CG 3.44Å; D800-R806 PolarHBondContact OD2-N 3.38Å; K804-R806 VanDerWaalsContact C-N 3.28Å; K804-R806 HydrophobicContact CB-CG 4.39Å; K804-R806 PolarHBondContact O-N 2.78Å; R806-P808 WeakPolarHBondContact O-CD 3.06Å
807	V	95.7	Very high	95	Very high	19 Å²	19	43 Å²	43	12%	0.115	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-57.9	122.8	173.3	-173.6	0	0	0	0	108.9	I740 V748 N805 S809	I740-V807 HydrophobicContact CB-CG1 4.38Å; V748-V807 HydrophobicContact CB-CG1 4.08Å; V748-V807 HydrophobicContact CG1-CG1 4.3Å; V748-V807 HydrophobicContact CG2-CG1 3.64Å; N805-V807 PolarHBondContact O-N 3.16Å; V807-S809 PolarHBondContact O-N 3.13Å; V807-S809 PolarHBondContact O-OG 3.05Å
808	P	97.5	Very high	95	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-56.4	138.7	177.6	-27	34.7	0	0	0	112.1	I740 V748 R749 I752 P788 Y790 Y799 R806	I740-P808 WeakPolarHBondContact CG1-O 3.39Å; V748-P808 HydrophobicContact CG1-CB 3.79Å; V748-P808 HydrophobicContact CG1-CG 3.92Å; R749-P808 HydrophobicContact CG-CG 4.16Å; I752-P808 HydrophobicContact CD1-CB 3.65Å; I752-P808 HydrophobicContact CD1-CG 3.96Å; P788-P808 HydrophobicContact CB-CB 3.9Å; P788-P808 HydrophobicContact CG-CB 4.25Å; Y790-P808 CarbonylContact O-C 3.57Å; Y790-P808 WeakPolarHBondContact O-CA 2.96Å; Y799-P808 HydrophobicContact CD1-CB 3.82Å; Y799-P808 HydrophobicContact CD1-CG 3.71Å; Y799-P808 HydrophobicContact CD2-CG 4.37Å; Y799-P808 HydrophobicContact CE1-CB 3.72Å; Y799-P808 HydrophobicContact CE1-CG 4.1Å; Y799-P808 HydrophobicContact CG-CB 4.42Å; Y799-P808 HydrophobicContact CG-CG 3.87Å; R806-P808 WeakPolarHBondContact O-CD 3.06Å
809	S	97.7	Very high	94.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-145.3	150.3	-170.8	-71.6	0	0	0	0	113.3	R739 I740 T789 Y790 V807 C811	R739-S809 WeakPolarHBondContact CA-OG 3.49Å; R739-S809 WeakPolarHBondContact CD-OG 3.49Å; I740-S809 PolarHBondContact N-OG 3.25Å; T789-S809 PolarHBondContact N-O 3.06Å; Y790-S809 PolarHBondContact N-O 2.9Å; Y790-S809 PolarHBondContact O-N 3.44Å; V807-S809 PolarHBondContact O-N 3.13Å; V807-S809 PolarHBondContact O-OG 3.05Å; S809-C811 VanDerWaalsContact C-N 3.28Å; S809-C811 PolarHBondContact O-N 3.23Å; S809-C811 VanDerWaalsContact O-N 3.14Å
810	Y	98.1	Very high	94.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.			trans	-85.3	69.8	173.9	-68.1	-76.2	0	0	0	110	I740 L760 L761 I784 F786 P788 R813	I740-Y810 HydrophobicContact CD1-CD2 4.08Å; I740-Y810 HydrophobicContact CD1-CE2 4.41Å; L760-Y810 HydrophobicContact CD2-CE2 4.15Å; L761-Y810 HydrophobicContact CD2-CD2 3.7Å; L761-Y810 HydrophobicContact CD2-CE2 3.51Å; L761-Y810 HydrophobicContact CD2-CG 4.45Å; L761-Y810 HydrophobicContact CG-CE2 4.15Å; I784-Y810 HydrophobicContact CG2-CD1 4.01Å; I784-Y810 HydrophobicContact CG2-CE1 3.43Å; I784-Y810 VanDerWaalsContact CG2-CE1 3.43Å; F786-Y810 HydrophobicContact CD2-CD1 4.46Å; F786-Y810 HydrophobicContact CD2-CE1 4.06Å; F786-Y810 HydrophobicContact CE2-CD1 4.05Å; F786-Y810 HydrophobicContact CE2-CE1 4.08Å; F786-Y810 WeakPolarHBondContact O-CE1 3.16Å; F786-Y810 PolarHBondContact O-OH 2.86Å; P788-Y810 HydrophobicContact CB-CE1 4.42Å; P788-Y810 HydrophobicContact CG-CD2 4.21Å; P788-Y810 HydrophobicContact CG-CE1 4.15Å; P788-Y810 HydrophobicContact CG-CE2 3.73Å; Y810-R813 VanDerWaalsContact CB-NH1 3.28Å; Y810-R813 VanDerWaalsContact O-CD 3.26Å; Y810-R813 WeakPolarHBondContact O-CD 3.46Å; Y810-R813 WeakPolarHBondContact O-CG 3.37Å; Y810-R813 PolarHBondContact O-NH1 3.43Å
811	C	98.4	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.			trans	-72.2	-38.5	-179.8	-68.7	0	0	0	0	112.5	D735 L736 N737 Y790 S809	D735-C811 CarbonylContact C-O 3.57Å; D735-C811 WeakPolarHBondContact OD1-CB 3.22Å; L736-C811 PolarHBondContact N-O 3.24Å; N737-C811 PolarHBondContact N-O 2.72Å; Y790-C811 VanDerWaalsContact CB-SG 3.58Å; Y790-C811 VanDerWaalsContact CD1-SG 3.5Å; Y790-C811 HydrophobicContact CG-CB 4.45Å; S809-C811 VanDerWaalsContact C-N 3.28Å; S809-C811 PolarHBondContact O-N 3.23Å; S809-C811 VanDerWaalsContact O-N 3.14Å
812	D	98.7	Very high	94.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.2	-171.9	-51.8	-97.3	0	0	0	110.5	T514 G734 T789 H837 V840	T514-D812 HydrophobicContact CG2-CB 4.12Å; G734-D812 WeakPolarHBondContact O-CA 3.44Å; T789-D812 VanDerWaalsContact CB-OD2 3.27Å; T789-D812 WeakPolarHBondContact CB-OD2 3.39Å; T789-D812 HydrophobicContact CG2-CB 4.4Å; T789-D812 PolarHBondContact OG1-N 3.17Å; T789-D812 PolarHBondContact OG1-OD2 3.05Å; D812-H837 IonicContact OD1-CG 3.5Å; D812-H837 IonicContact OD1-ND1 3.32Å; D812-H837 PolarHBondContact OD1-ND1 2.78Å; D812-H837 VanDerWaalsContact OD1-ND1 3.17Å; D812-H837 IonicContact OD2-CE1 3.29Å; D812-H837 IonicContact OD2-CG 3.79Å; D812-H837 IonicContact OD2-ND1 3.27Å; D812-H837 PolarHBondContact OD2-ND1 2.81Å; D812-V840 HydrophobicContact CB-CB 4.43Å; D812-V840 HydrophobicContact CB-CG2 3.79Å
813	R	98.6	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.3	-165.2	-55.9	-63.6	-91.5	-88.1	3.6	113.4	F733 G734 L736 D764 L766 E781 Y810 Y826	F733-R813 CarbonylContact C-O 3.58Å; F733-R813 WeakPolarHBondContact CA-O 3.45Å; F733-R813 WeakPolarHBondContact CB-O 3.34Å; G734-R813 PolarHBondContact N-O 2.99Å; G734-R813 PolarHBondContact O-N 3.06Å; L736-R813 HydrophobicContact CB-CG 4.47Å; L736-R813 HydrophobicContact CD1-CB 3.76Å; L736-R813 HydrophobicContact CD1-CG 4.4Å; L736-R813 HydrophobicContact CG-CB 4.01Å; L736-R813 HydrophobicContact CG-CG 4.49Å; D764-R813 VanDerWaalsContact CG-NH1 3.33Å; D764-R813 IonicContact OD1-CZ 3.17Å; D764-R813 IonicContact OD1-NH1 3.93Å; D764-R813 PolarHBondContact OD1-NH1 2.84Å; D764-R813 IonicContact OD1-NH2 3.1Å; D764-R813 PolarHBondContact OD1-NH2 2.75Å; D764-R813 IonicContact OD2-CZ 2.82Å; D764-R813 IonicContact OD2-NH1 3.76Å; D764-R813 PolarHBondContact OD2-NH1 2.9Å; D764-R813 IonicContact OD2-NH2 2.76Å; L766-R813 HydrophobicContact CD2-CB 4.2Å; L766-R813 HydrophobicContact CD2-CG 3.99Å; E781-R813 VanDerWaalsContact CD-NE 3.35Å; E781-R813 WeakPolarHBondContact OE1-CD 3.27Å; E781-R813 IonicContact OE1-CZ 3.41Å; E781-R813 IonicContact OE1-NE 2.71Å; E781-R813 PolarHBondContact OE1-NE 3.03Å; E781-R813 IonicContact OE1-NH2 3.34Å; E781-R813 IonicContact OE2-CZ 3.32Å; E781-R813 IonicContact OE2-NE 2.68Å; E781-R813 PolarHBondContact OE2-NE 2.86Å; E781-R813 IonicContact OE2-NH2 2.62Å; E781-R813 PolarHBondContact OE2-NH2 3.36Å; Y810-R813 VanDerWaalsContact CB-NH1 3.28Å; Y810-R813 VanDerWaalsContact O-CD 3.26Å; Y810-R813 WeakPolarHBondContact O-CD 3.46Å; Y810-R813 WeakPolarHBondContact O-CG 3.37Å; Y810-R813 PolarHBondContact O-NH1 3.43Å; R813-Y826 WeakPolarHBondContact CA-OH 3.47Å
814	I	98.7	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	105.9	176.9	-52.2	-178.5	0	0	0	108.9	V512 T514 F733 P782 Y826 V840 A842 F844	V512-I814 HydrophobicContact CB-CD1 4.33Å; V512-I814 HydrophobicContact CB-CG2 4.18Å; V512-I814 HydrophobicContact CG1-CD1 4.2Å; V512-I814 HydrophobicContact CG1-CG2 3.99Å; V512-I814 VanDerWaalsContact O-CD1 3.29Å; V512-I814 WeakPolarHBondContact O-CD1 3.28Å; T514-I814 HydrophobicContact CG2-CG1 4.2Å; F733-I814 HydrophobicContact CB-CB 4.23Å; F733-I814 HydrophobicContact CB-CG1 4Å; F733-I814 HydrophobicContact CB-CG2 4.14Å; P782-I814 VanDerWaalsContact CD-O 3.27Å; P782-I814 WeakPolarHBondContact CD-O 3.26Å; I814-Y826 HydrophobicContact CB-CE2 3.83Å; I814-Y826 HydrophobicContact CD1-CE2 3.96Å; I814-Y826 HydrophobicContact CG1-CE2 3.87Å; I814-Y826 PolarHBondContact N-OH 2.82Å; I814-Y826 VanDerWaalsContact N-OH 3.11Å; I814-V840 HydrophobicContact CD1-CG1 4.08Å; I814-V840 HydrophobicContact CG1-CG1 4.3Å; I814-A842 HydrophobicContact CB-CB 4.47Å; I814-A842 HydrophobicContact CD1-CB 3.94Å; I814-A842 HydrophobicContact CG2-CB 4.14Å; I814-F844 HydrophobicContact CG2-CE2 4.14Å; I814-F844 HydrophobicContact CG2-CZ 4.11Å
815	I	98.1	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.2	177.4	65.9	174.7	0	0	0	110.5	V732 L766 M770 F776 F779 H780 E781	V732-I815 HydrophobicContact CB-CD1 4.22Å; V732-I815 HydrophobicContact CB-CG1 3.82Å; V732-I815 HydrophobicContact CG1-CD1 4.28Å; V732-I815 HydrophobicContact CG1-CG1 4.2Å; V732-I815 PolarHBondContact N-O 3.05Å; V732-I815 VanDerWaalsContact O-CG1 3.29Å; V732-I815 WeakPolarHBondContact O-CG1 3.18Å; V732-I815 PolarHBondContact O-N 3.48Å; L766-I815 HydrophobicContact CD2-CG2 4.42Å; M770-I815 HydrophobicContact CE-CG2 4.27Å; M770-I815 HydrophobicContact SD-CG2 4.25Å; F776-I815 HydrophobicContact CB-CD1 4.44Å; F776-I815 HydrophobicContact CD1-CD1 3.44Å; F776-I815 VanDerWaalsContact CD1-CD1 3.44Å; F776-I815 HydrophobicContact CE1-CD1 3.9Å; F776-I815 HydrophobicContact CG-CD1 4.15Å; F779-I815 HydrophobicContact CB-CD1 4.13Å; F779-I815 HydrophobicContact CD1-CB 4.32Å; F779-I815 HydrophobicContact CD1-CD1 3.81Å; F779-I815 HydrophobicContact CD1-CG1 3.79Å; F779-I815 HydrophobicContact CE1-CD1 4.49Å; F779-I815 HydrophobicContact CE1-CG1 4.41Å; F779-I815 HydrophobicContact CG-CD1 4.07Å; F779-I815 HydrophobicContact CG-CG1 4.48Å; H780-I815 CarbonylContact O-C 3.6Å; H780-I815 VanDerWaalsContact O-CA 3.24Å; H780-I815 WeakPolarHBondContact O-CA 3.48Å; H780-I815 WeakPolarHBondContact O-CB 3.23Å; E781-I815 HydrophobicContact CB-CG2 3.78Å; E781-I815 HydrophobicContact CG-CG2 3.9Å
816	W	98	Very high	96.1	Very high	24 Å²	24	33.8 Å²	33.8	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159	178.7	86.1	94	0	0	0	112.4	I730 F731 F779 H780 P782 C821 P823 F844	I730-W816 CarbonylContact O-C 3.43Å; I730-W816 WeakPolarHBondContact O-CA 3.26Å; I730-W816 WeakPolarHBondContact O-CB 3.31Å; F731-W816 HydrophobicContact CD1-CB 3.64Å; F731-W816 HydrophobicContact CE1-CB 3.75Å; F731-W816 HydrophobicContact CE1-CG 4.45Å; F731-W816 HydrophobicContact CG-CB 4.43Å; F779-W816 CarbonylContact C-O 3.58Å; F779-W816 VanDerWaalsContact CA-O 3.26Å; F779-W816 WeakPolarHBondContact CA-O 3.45Å; H780-W816 HydrophobicContact CB-CD2 4.1Å; H780-W816 HydrophobicContact CB-CE3 4Å; H780-W816 HydrophobicContact CB-CH2 3.51Å; H780-W816 HydrophobicContact CB-CZ2 3.62Å; H780-W816 HydrophobicContact CB-CZ3 3.71Å; H780-W816 PolarHBondContact N-O 3.13Å; H780-W816 PolarHBondContact O-N 2.91Å; P782-W816 HydrophobicContact CB-CZ3 4.5Å; P782-W816 HydrophobicContact CG-CE3 4.36Å; P782-W816 HydrophobicContact CG-CZ3 3.87Å; W816-C821 HydrophobicContact CG-CB 4.49Å; W816-P823 HydrophobicContact CH2-CG 3.62Å; W816-P823 HydrophobicContact CZ2-CG 4.3Å; W816-P823 HydrophobicContact CZ3-CG 3.94Å; W816-F844 AromaticContact CD2-CE1 3.93Å; W816-F844 HydrophobicContact CD2-CE1 3.93Å; W816-F844 AromaticContact CE3-CE1 3.66Å; W816-F844 HydrophobicContact CE3-CE1 3.66Å; W816-F844 HydrophobicContact CE3-CZ 4.28Å; W816-F844 HydrophobicContact CG-CE1 4.33Å; W816-F844 HydrophobicContact CZ3-CE1 4.23Å
817	S	96.3	Very high	96.4	Very high	24 Å²	24	31.7 Å²	31.7	17%	0.168	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.5	167	-169.3	0	0	0	0	109.4	I729 I730 G778	I729-S817 WeakPolarHBondContact CA-O 3.31Å; I730-S817 PolarHBondContact N-O 3.39Å; I730-S817 PolarHBondContact O-N 2.74Å; G778-S817 VanDerWaalsContact O-CB 3.26Å; G778-S817 WeakPolarHBondContact O-CB 3.44Å; G778-S817 PolarHBondContact O-OG 3.23Å
818	G	93.3	Very high	96.5	Very high	24 Å²	24	31.9 Å²	31.9	25%	0.247	18%	0.177	C	C	.	.	S	Bend	trans	110.5	145.7	179.4	0	0	0	0	0	115	D728	D728-G818 VanDerWaalsContact O-CA 3.25Å; D728-G818 WeakPolarHBondContact O-CA 3.29Å
819	D	89.7	Confident	96.4	Very high	156 Å²	156	32 Å²	32	83%	0.834	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	154.8	-179.1	-78	-35.5	0	0	0	112.9	C821	D819-C821 PolarHBondContact O-N 3.16Å; D819-C821 VanDerWaalsContact O-N 3.13Å
820	G	90.8	Very high	96.3	Very high	39 Å²	39	35 Å²	35	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	4.1	174.2	0	0	0	0	0	115.2	D847	G820-D847 PolarHBondContact O-N 3.01Å
821	C	95.3	Very high	96	Very high	15 Å²	15	39.1 Å²	39.1	10%	0.101	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.4	170.5	-174.5	0	0	0	0	110.6	I729 W816 D819 F844	I729-C821 HydrophobicContact CG2-CB 4.43Å; W816-C821 HydrophobicContact CG-CB 4.49Å; D819-C821 PolarHBondContact O-N 3.16Å; D819-C821 VanDerWaalsContact O-N 3.13Å; C821-F844 VanDerWaalsContact SG-CD1 3.55Å
822	K	95.6	Very high	95.7	Very high	146 Å²	146	39.6 Å²	39.6	64%	0.635	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.2	177.1	178.2	178.2	177.4	-179.2	0	110.8	F844 S845	K822-F844 CarbonylContact O-C 3.51Å; K822-F844 WeakPolarHBondContact O-CA 3.48Å; K822-S845 PolarHBondContact N-O 3.02Å; K822-S845 PolarHBondContact O-N 2.92Å
823	P	96.5	Very high	95.4	Very high	34 Å²	34	41.8 Å²	41.8	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.7	169	28.1	-34.1	0	0	0	111	P782 W816 F844	P782-P823 HydrophobicContact CB-CB 3.86Å; P782-P823 HydrophobicContact CB-CG 4.07Å; P782-P823 HydrophobicContact CG-CB 3.95Å; P782-P823 HydrophobicContact CG-CG 4.34Å; W816-P823 HydrophobicContact CH2-CG 3.62Å; W816-P823 HydrophobicContact CZ2-CG 4.3Å; W816-P823 HydrophobicContact CZ3-CG 3.94Å; P823-F844 HydrophobicContact CB-CD1 3.92Å; P823-F844 HydrophobicContact CB-CE1 3.84Å
824	I	96.1	Very high	95	Very high	68 Å²	68	43 Å²	43	35%	0.349	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-40.1	172.2	-61.7	169.7	0	0	0	110.1	Q539 Y843	Q539-I824 HydrophobicContact CG-CG2 4.38Å; I824-Y843 HydrophobicContact CB-CD1 4.11Å; I824-Y843 HydrophobicContact CD1-CD1 3.67Å; I824-Y843 HydrophobicContact CD1-CE1 3.63Å; I824-Y843 HydrophobicContact CG1-CD1 4.33Å; I824-Y843 PolarHBondContact N-O 3.31Å
825	I	95.7	Very high	94.7	Very high	55 Å²	55	43 Å²	43	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155	174.8	-148.5	165.9	0	0	0	110.6	P536 A842 Y843	P536-I825 HydrophobicContact CB-CD1 4.23Å; P536-I825 HydrophobicContact CG-CB 4.01Å; P536-I825 HydrophobicContact CG-CD1 4.1Å; P536-I825 HydrophobicContact CG-CG2 3.73Å; I825-A842 VanDerWaalsContact O-CA 3.3Å; I825-A842 WeakPolarHBondContact O-CA 3.43Å; I825-Y843 PolarHBondContact N-O 3.44Å; I825-Y843 PolarHBondContact O-N 3.05Å; I825-Y843 VanDerWaalsContact O-N 3.12Å
826	Y	97.8	Very high	94.6	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.063	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122	166.1	-173.5	-147.6	0	0	0	108.5	E781 P782 I784 F786 R813 I814 V840 S841 A842	E781-Y826 HydrophobicContact CG-CE1 4.06Å; P782-Y826 HydrophobicContact CB-CD1 3.65Å; P782-Y826 HydrophobicContact CB-CG 3.84Å; P782-Y826 HydrophobicContact CG-CD1 3.81Å; P782-Y826 HydrophobicContact CG-CD2 4.46Å; P782-Y826 HydrophobicContact CG-CE1 4.38Å; P782-Y826 HydrophobicContact CG-CG 3.86Å; P782-Y826 WeakPolarHBondContact O-CD1 3.31Å; I784-Y826 HydrophobicContact CD1-CE1 4.43Å; I784-Y826 HydrophobicContact CG1-CD1 4.11Å; I784-Y826 HydrophobicContact CG1-CE1 3.66Å; F786-Y826 AromaticContact CE1-CD1 3.69Å; F786-Y826 HydrophobicContact CE1-CD1 3.69Å; F786-Y826 HydrophobicContact CE1-CD2 4.18Å; F786-Y826 AromaticContact CE1-CE1 3.81Å; F786-Y826 HydrophobicContact CE1-CE1 3.81Å; F786-Y826 HydrophobicContact CE1-CE2 4.28Å; F786-Y826 AromaticContact CE1-CG 3.88Å; F786-Y826 HydrophobicContact CE1-CG 3.88Å; F786-Y826 HydrophobicContact CZ-CD1 4.19Å; F786-Y826 AromaticContact CZ-CE1 3.81Å; F786-Y826 HydrophobicContact CZ-CE1 3.81Å; F786-Y826 HydrophobicContact CZ-CE2 4.18Å; F786-Y826 AromaticContact CZ-CZ 3.78Å; R813-Y826 WeakPolarHBondContact CA-OH 3.47Å; I814-Y826 HydrophobicContact CB-CE2 3.83Å; I814-Y826 HydrophobicContact CD1-CE2 3.96Å; I814-Y826 HydrophobicContact CG1-CE2 3.87Å; I814-Y826 PolarHBondContact N-OH 2.82Å; I814-Y826 VanDerWaalsContact N-OH 3.11Å; Y826-V840 HydrophobicContact CD2-CG1 4.08Å; Y826-V840 HydrophobicContact CE2-CG1 3.31Å; Y826-S841 WeakPolarHBondContact CA-O 3.37Å; Y826-A842 HydrophobicContact CD2-CB 3.79Å; Y826-A842 HydrophobicContact CE2-CB 4.43Å
827	R	97.1	Very high	94.5	Very high	45 Å²	45	42.6 Å²	42.6	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148	-169	72.5	-168.7	-163.1	-107	8.9	112.6	N531 W532 I534 H829 V840 S841	N531-R827 PolarHBondContact O-NH2 3.02Å; W532-R827 PolarHBondContact O-NH2 2.98Å; W532-R827 VanDerWaalsContact O-NH2 3.15Å; I534-R827 PolarHBondContact O-NH2 2.98Å; R827-H829 WeakPolarHBondContact CG-NE2 3.48Å; R827-H829 VanDerWaalsContact CZ-CE1 3.49Å; R827-H829 PolarHBondContact NE-CE1 3.5Å; R827-V840 CarbonylContact O-C 3.54Å; R827-V840 WeakPolarHBondContact O-CA 3.37Å; R827-S841 PolarHBondContact N-O 2.89Å; R827-S841 PolarHBondContact O-N 2.88Å
828	S	97.6	Very high	94.6	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.154	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	161.4	161	68.1	0	0	0	0	110.9	F786 P830 P839	F786-S828 WeakPolarHBondContact CB-OG 3.43Å; F786-S828 WeakPolarHBondContact CD2-OG 3.19Å; S828-P830 WeakPolarHBondContact O-CD 3.48Å; S828-P839 CarbonylContact C-O 3.45Å; S828-P839 VanDerWaalsContact CA-O 3.3Å; S828-P839 WeakPolarHBondContact CA-O 3.36Å
829	H	96.6	Very high	94.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.019	22%	0.22	C	C	.	.			trans	-123.9	81	-169.6	-55.9	-110.7	0	0	0	109.9	W532 R827 E831 F832 P839 S841	W532-H829 AromaticContact CD1-CD2 3.64Å; W532-H829 AromaticContact CD1-CE1 3.61Å; W532-H829 AromaticContact CD1-CG 3.92Å; W532-H829 AromaticContact CD1-ND1 3.94Å; W532-H829 AromaticContact CD1-NE2 3.47Å; W532-H829 PolarHBondContact O-CE1 2.62Å; R827-H829 WeakPolarHBondContact CG-NE2 3.48Å; R827-H829 VanDerWaalsContact CZ-CE1 3.49Å; R827-H829 PolarHBondContact NE-CE1 3.5Å; H829-E831 VanDerWaalsContact CA-OE2 3.26Å; H829-E831 WeakPolarHBondContact CA-OE2 3.35Å; H829-E831 PolarHBondContact O-N 3.37Å; H829-F832 HydrophobicContact CB-CD2 3.71Å; H829-F832 HydrophobicContact CB-CE2 4.07Å; H829-F832 PolarHBondContact O-N 3.21Å; H829-P839 HydrophobicContact CB-CB 4.4Å; H829-P839 HydrophobicContact CB-CG 4.11Å; H829-P839 PolarHBondContact CD2-O 3.19Å; H829-P839 PolarHBondContact N-O 3.24Å; H829-S841 PolarHBondContact CE1-OG 3.25Å; H829-S841 PolarHBondContact NE2-OG 2.89Å
830	P	94.5	Very high	95.2	Very high	62 Å²	62	33 Å²	33	40%	0.403	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.3	-170.2	29.4	-36.4	0	0	0	114.6	N797 S828 F832 K838	N797-P830 PolarHBondContact ND2-O 3.41Å; N797-P830 PolarHBondContact OD1-O 3.47Å; S828-P830 WeakPolarHBondContact O-CD 3.48Å; P830-F832 PolarHBondContact O-N 2.91Å; P830-K838 PolarHBondContact O-NZ 3.4Å
831	E	92.4	Very high	95.5	Very high	88 Å²	88	31.1 Å²	31.1	41%	0.411	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.9	174.8	70.5	-86.2	-145.5	0	0	113	N531 H829 V833	N531-E831 WeakPolarHBondContact CB-OE1 3.24Å; H829-E831 VanDerWaalsContact CA-OE2 3.26Å; H829-E831 WeakPolarHBondContact CA-OE2 3.35Å; H829-E831 PolarHBondContact O-N 3.37Å; E831-V833 PolarHBondContact O-N 3.37Å
832	F	92.9	Very high	95.7	Very high	10 Å²	10	30.4 Å²	30.4	4%	0.044	16%	0.156	C	C	.	.			trans	-83.5	114.4	173.9	-62.7	-84.4	0	0	0	109.9	W515 M527 L529 N531 W532 H829 P830 K838 P839	W515-F832 HydrophobicContact CH2-CB 3.75Å; W515-F832 AromaticContact CH2-CD1 3.81Å; W515-F832 HydrophobicContact CH2-CD1 3.81Å; W515-F832 HydrophobicContact CH2-CG 4.01Å; W515-F832 HydrophobicContact CZ2-CB 3.77Å; W515-F832 HydrophobicContact CZ2-CG 4.49Å; W515-F832 HydrophobicContact CZ3-CD1 4.23Å; M527-F832 HydrophobicContact CG-CD1 4.04Å; M527-F832 HydrophobicContact CG-CE1 4.04Å; M527-F832 HydrophobicContact SD-CD1 4.02Å; L529-F832 HydrophobicContact CD2-CE1 3.94Å; N531-F832 HydrophobicContact CB-CE2 4.43Å; N531-F832 HydrophobicContact CB-CZ 4.5Å; W532-F832 HydrophobicContact CB-CE2 3.85Å; W532-F832 HydrophobicContact CB-CZ 3.96Å; H829-F832 HydrophobicContact CB-CD2 3.71Å; H829-F832 HydrophobicContact CB-CE2 4.07Å; H829-F832 PolarHBondContact O-N 3.21Å; P830-F832 PolarHBondContact O-N 2.91Å; F832-K838 WeakPolarHBondContact O-CD 3.47Å; F832-K838 PolarHBondContact O-NZ 2.88Å; F832-P839 HydrophobicContact CB-CG 3.64Å; F832-P839 HydrophobicContact CD2-CG 3.79Å; F832-P839 HydrophobicContact CG-CG 3.82Å
833	V	92.6	Very high	95.8	Very high	46 Å²	46	23.5 Å²	23.5	28%	0.279	13%	0.126	S	C	.	.			trans	-116.7	-3.6	-170.3	-61.2	0	0	0	0	114.6	N795 E831 S835	N795-V833 WeakPolarHBondContact CA-O 3.35Å; N795-V833 PolarHBondContact N-O 3.25Å; E831-V833 PolarHBondContact O-N 3.37Å; V833-S835 PolarHBondContact O-N 3.02Å
834	C	89.2	Confident	95.9	Very high	24 Å²	24	21.9 Å²	21.9	16%	0.162	12%	0.116	C	C	.	.	S	Bend	trans	-75	-1	-172.9	64.7	0	0	0	0	115.2	W515 R520 M527 M794	W515-C834 VanDerWaalsContact CH2-SG 3.58Å; W515-C834 WeakPolarHBondContact CZ2-SG 3.04Å; R520-C834 WeakPolarHBondContact CG-O 3.46Å; M527-C834 HydrophobicContact SD-CB 4.44Å; M794-C834 WeakPolarHBondContact CE-O 3.49Å
835	S	92.9	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-131.5	161.2	176.7	-179.8	0	0	0	0	109.7	N516 V833 H837	N516-S835 WeakPolarHBondContact O-CB 3.09Å; N516-S835 PolarHBondContact O-OG 3.33Å; V833-S835 PolarHBondContact O-N 3.02Å; S835-H837 WeakPolarHBondContact CB-O 3.3Å; S835-H837 PolarHBondContact O-N 3.3Å; S835-H837 PolarHBondContact OG-N 3.49Å
836	D	95	Very high	96.1	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.059	9%	0.09	C	C	.	.	S	Bend	trans	-79.2	-1.2	169	64.9	-31.1	0	0	0	113.4	N518 K791 F792 M794	N518-D836 WeakPolarHBondContact CB-OD1 3.34Å; N518-D836 VanDerWaalsContact ND2-CG 3.26Å; N518-D836 PolarHBondContact ND2-OD1 2.98Å; K791-D836 HydrophobicContact CG-CB 3.96Å; K791-D836 IonicContact NZ-OD2 2.73Å; K791-D836 PolarHBondContact NZ-OD2 2.65Å; F792-D836 PolarHBondContact N-O 3.11Å; F792-D836 WeakPolarHBondContact O-CB 3.19Å; M794-D836 HydrophobicContact SD-CB 4.16Å
837	H	97.6	Very high	96	Very high	5 Å²	5	18 Å²	18	2%	0.023	10%	0.098	C	C	.	.	S	Bend	trans	-111.4	148.3	165.1	-72	-118	0	0	0	111.7	W515 N516 D735 T789 Y790 D812 S835	W515-H837 PolarHBondContact NE1-O 3.15Å; N516-H837 HydrophobicContact CB-CB 3.99Å; N516-H837 PolarHBondContact ND2-NE2 3.02Å; D735-H837 IonicContact OD2-CE1 3.56Å; D735-H837 PolarHBondContact OD2-CE1 3Å; D735-H837 IonicContact OD2-NE2 2.7Å; T789-H837 WeakPolarHBondContact O-CA 3.45Å; Y790-H837 AromaticContact CD2-CD2 3.5Å; Y790-H837 AromaticContact CD2-CE1 3.48Å; Y790-H837 VanDerWaalsContact CD2-CE1 3.48Å; Y790-H837 WeakPolarHBondContact CD2-CE1 3.49Å; Y790-H837 AromaticContact CD2-CG 3.97Å; Y790-H837 AromaticContact CD2-ND1 3.95Å; Y790-H837 AromaticContact CD2-NE2 3.14Å; Y790-H837 WeakPolarHBondContact CD2-NE2 3.35Å; Y790-H837 AromaticContact CE2-CD2 3.89Å; Y790-H837 AromaticContact CE2-NE2 3.35Å; Y790-H837 VanDerWaalsContact CE2-NE2 3.35Å; Y790-H837 WeakPolarHBondContact CE2-NE2 3.1Å; D812-H837 IonicContact OD1-CG 3.5Å; D812-H837 IonicContact OD1-ND1 3.32Å; D812-H837 PolarHBondContact OD1-ND1 2.78Å; D812-H837 VanDerWaalsContact OD1-ND1 3.17Å; D812-H837 IonicContact OD2-CE1 3.29Å; D812-H837 IonicContact OD2-CG 3.79Å; D812-H837 IonicContact OD2-ND1 3.27Å; D812-H837 PolarHBondContact OD2-ND1 2.81Å; S835-H837 WeakPolarHBondContact CB-O 3.3Å; S835-H837 PolarHBondContact O-N 3.3Å; S835-H837 PolarHBondContact OG-N 3.49Å
838	K	96.8	Very high	95.9	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	9%	0.09	C	C	.	.			trans	-93.4	139.7	170.5	-55.4	-57.9	175.9	164.6	0	111.2	T789 F792 S796 N797 P830 F832	T789-K838 PolarHBondContact O-N 2.9Å; F792-K838 HydrophobicContact CD2-CD 4.18Å; F792-K838 HydrophobicContact CD2-CG 3.82Å; F792-K838 HydrophobicContact CE2-CD 4.21Å; F792-K838 HydrophobicContact CE2-CG 3.47Å; F792-K838 VanDerWaalsContact CE2-CG 3.47Å; F792-K838 HydrophobicContact CZ-CG 4.05Å; S796-K838 PolarHBondContact O-NZ 2.95Å; N797-K838 WeakPolarHBondContact OD1-CE 3.25Å; N797-K838 PolarHBondContact OD1-NZ 2.91Å; P830-K838 PolarHBondContact O-NZ 3.4Å; F832-K838 WeakPolarHBondContact O-CD 3.47Å; F832-K838 PolarHBondContact O-NZ 2.88Å
839	P	97.2	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.			trans	-59.5	149.9	171.6	1.8	3.8	0	0	0	110.4	T514 W515 W532 S828 H829 F832	T514-P839 WeakPolarHBondContact O-CA 3.25Å; W515-P839 HydrophobicContact CB-CB 4.09Å; W515-P839 HydrophobicContact CD2-CB 3.81Å; W515-P839 HydrophobicContact CD2-CG 3.59Å; W515-P839 HydrophobicContact CE3-CB 4.09Å; W515-P839 HydrophobicContact CE3-CG 3.84Å; W515-P839 HydrophobicContact CG-CB 3.8Å; W515-P839 HydrophobicContact CG-CG 4.03Å; W515-P839 HydrophobicContact CH2-CG 4.17Å; W515-P839 HydrophobicContact CZ2-CG 3.95Å; W515-P839 HydrophobicContact CZ3-CG 4.11Å; W532-P839 HydrophobicContact CD2-CB 4.27Å; W532-P839 HydrophobicContact CG-CB 4.34Å; W532-P839 HydrophobicContact CZ2-CB 4.3Å; S828-P839 CarbonylContact C-O 3.45Å; S828-P839 VanDerWaalsContact CA-O 3.3Å; S828-P839 WeakPolarHBondContact CA-O 3.36Å; H829-P839 HydrophobicContact CB-CB 4.4Å; H829-P839 HydrophobicContact CB-CG 4.11Å; H829-P839 PolarHBondContact CD2-O 3.19Å; H829-P839 PolarHBondContact N-O 3.24Å; F832-P839 HydrophobicContact CB-CG 3.64Å; F832-P839 HydrophobicContact CD2-CG 3.79Å; F832-P839 HydrophobicContact CG-CG 3.82Å
840	V	98.6	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.4	174.8	173.2	0	0	0	0	108.7	G513 T514 W532 F786 T789 D812 I814 Y826 R827	G513-V840 CarbonylContact C-O 3.52Å; G513-V840 VanDerWaalsContact CA-O 3.29Å; G513-V840 WeakPolarHBondContact CA-O 3.44Å; T514-V840 HydrophobicContact CG2-CB 3.87Å; T514-V840 HydrophobicContact CG2-CG1 4.42Å; T514-V840 PolarHBondContact N-O 2.85Å; T514-V840 PolarHBondContact O-N 2.95Å; W532-V840 PolarHBondContact NE1-O 2.86Å; F786-V840 HydrophobicContact CE2-CG2 4.4Å; F786-V840 HydrophobicContact CZ-CG1 4.28Å; T789-V840 HydrophobicContact CG2-CG2 3.44Å; T789-V840 VanDerWaalsContact CG2-CG2 3.44Å; D812-V840 HydrophobicContact CB-CB 4.43Å; D812-V840 HydrophobicContact CB-CG2 3.79Å; I814-V840 HydrophobicContact CD1-CG1 4.08Å; I814-V840 HydrophobicContact CG1-CG1 4.3Å; Y826-V840 HydrophobicContact CD2-CG1 4.08Å; Y826-V840 HydrophobicContact CE2-CG1 3.31Å; R827-V840 CarbonylContact O-C 3.54Å; R827-V840 WeakPolarHBondContact O-CA 3.37Å
841	S	98.4	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.3	166.6	64.2	0	0	0	0	114.8	Y511 V512 Y826 R827 H829	Y511-S841 WeakPolarHBondContact OH-CB 3.4Å; Y511-S841 PolarHBondContact OH-OG 3Å; V512-S841 CarbonylContact O-C 3.53Å; V512-S841 WeakPolarHBondContact O-CA 3.43Å; V512-S841 VanDerWaalsContact O-CB 3.27Å; V512-S841 WeakPolarHBondContact O-CB 3.49Å; Y826-S841 WeakPolarHBondContact CA-O 3.37Å; R827-S841 PolarHBondContact N-O 2.89Å; R827-S841 PolarHBondContact O-N 2.88Å; H829-S841 PolarHBondContact CE1-OG 3.25Å; H829-S841 PolarHBondContact NE2-OG 2.89Å
842	A	98.3	Very high	95	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.6	174.2	0	0	0	0	0	109.9	V512 I814 I825 Y826 F844	V512-A842 PolarHBondContact N-O 2.91Å; V512-A842 PolarHBondContact O-N 3.46Å; I814-A842 HydrophobicContact CB-CB 4.47Å; I814-A842 HydrophobicContact CD1-CB 3.94Å; I814-A842 HydrophobicContact CG2-CB 4.14Å; I825-A842 VanDerWaalsContact O-CA 3.3Å; I825-A842 WeakPolarHBondContact O-CA 3.43Å; Y826-A842 HydrophobicContact CD2-CB 3.79Å; Y826-A842 HydrophobicContact CE2-CB 4.43Å; A842-F844 HydrophobicContact CB-CD2 4.19Å; A842-F844 HydrophobicContact CB-CE2 3.4Å; A842-F844 HydrophobicContact CB-CZ 3.68Å
843	Y	98.2	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.1	174	-174	-75.2	0	0	0	108.1	H509 Y511 S535 P536 Q539 P540 A542 I824 I825	H509-Y843 HydrophobicContact CB-CE1 3.87Å; H509-Y843 HydrophobicContact CB-CE2 4.43Å; H509-Y843 VanDerWaalsContact CB-OH 3.31Å; H509-Y843 WeakPolarHBondContact CB-OH 3.45Å; H509-Y843 AromaticContact CD2-CE1 3.61Å; H509-Y843 AromaticContact CG-CE1 3.86Å; H509-Y843 AromaticContact CG-CZ 3.84Å; H509-Y843 VanDerWaalsContact CG-OH 3.26Å; Y511-Y843 HydrophobicContact CD2-CD2 4.49Å; S535-Y843 WeakPolarHBondContact OG-CE2 2.94Å; P536-Y843 HydrophobicContact CG-CG 4.33Å; Q539-Y843 HydrophobicContact CB-CE1 4.19Å; Q539-Y843 HydrophobicContact CG-CE1 4.31Å; P540-Y843 WeakPolarHBondContact O-CE2 3.48Å; P540-Y843 PolarHBondContact O-OH 2.75Å; A542-Y843 HydrophobicContact CB-CD2 4.31Å; A542-Y843 HydrophobicContact CB-CE2 3.86Å; I824-Y843 HydrophobicContact CB-CD1 4.11Å; I824-Y843 HydrophobicContact CD1-CD1 3.67Å; I824-Y843 HydrophobicContact CD1-CE1 3.63Å; I824-Y843 HydrophobicContact CG1-CD1 4.33Å; I824-Y843 PolarHBondContact N-O 3.31Å; I825-Y843 PolarHBondContact N-O 3.44Å; I825-Y843 PolarHBondContact O-N 3.05Å; I825-Y843 VanDerWaalsContact O-N 3.12Å
844	F	98.4	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.4	-175.5	-60.6	-91	0	0	0	111.2	H509 I510 V512 F731 P782 I814 W816 C821 K822 P823 A842 V846	H509-F844 CarbonylContact C-O 3.58Å; H509-F844 VanDerWaalsContact CA-O 3.3Å; H509-F844 WeakPolarHBondContact CA-O 3.33Å; I510-F844 PolarHBondContact N-O 2.95Å; I510-F844 PolarHBondContact O-N 3Å; V512-F844 HydrophobicContact CB-CE2 4.39Å; V512-F844 HydrophobicContact CG2-CD2 4.3Å; V512-F844 HydrophobicContact CG2-CE2 4.08Å; F731-F844 HydrophobicContact CD1-CD2 4.38Å; F731-F844 AromaticContact CD1-CE2 3.96Å; F731-F844 HydrophobicContact CD1-CE2 3.96Å; F731-F844 HydrophobicContact CD1-CZ 4.17Å; F731-F844 HydrophobicContact CE1-CD1 4.05Å; F731-F844 AromaticContact CE1-CD2 3.59Å; F731-F844 HydrophobicContact CE1-CD2 3.59Å; F731-F844 HydrophobicContact CE1-CE1 4.04Å; F731-F844 AromaticContact CE1-CE2 3.56Å; F731-F844 HydrophobicContact CE1-CE2 3.56Å; F731-F844 AromaticContact CE1-CG 3.83Å; F731-F844 HydrophobicContact CE1-CG 3.83Å; F731-F844 AromaticContact CE1-CZ 3.81Å; F731-F844 HydrophobicContact CE1-CZ 3.81Å; F731-F844 HydrophobicContact CZ-CD2 4.26Å; F731-F844 HydrophobicContact CZ-CG 4.3Å; P782-F844 HydrophobicContact CG-CE1 4.4Å; P782-F844 HydrophobicContact CG-CZ 4.4Å; I814-F844 HydrophobicContact CG2-CE2 4.14Å; I814-F844 HydrophobicContact CG2-CZ 4.11Å; W816-F844 AromaticContact CD2-CE1 3.93Å; W816-F844 HydrophobicContact CD2-CE1 3.93Å; W816-F844 AromaticContact CE3-CE1 3.66Å; W816-F844 HydrophobicContact CE3-CE1 3.66Å; W816-F844 HydrophobicContact CE3-CZ 4.28Å; W816-F844 HydrophobicContact CG-CE1 4.33Å; W816-F844 HydrophobicContact CZ3-CE1 4.23Å; C821-F844 VanDerWaalsContact SG-CD1 3.55Å; K822-F844 CarbonylContact O-C 3.51Å; K822-F844 WeakPolarHBondContact O-CA 3.48Å; P823-F844 HydrophobicContact CB-CD1 3.92Å; P823-F844 HydrophobicContact CB-CE1 3.84Å; A842-F844 HydrophobicContact CB-CD2 4.19Å; A842-F844 HydrophobicContact CB-CE2 3.4Å; A842-F844 HydrophobicContact CB-CZ 3.68Å; F844-V846 HydrophobicContact CB-CG2 3.75Å
845	S	97.6	Very high	93.8	Very high	12 Å²	12	27 Å²	27	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.1	159.5	-160.2	0	0	0	0	108.3	K507 H509 K822	K507-S845 WeakPolarHBondContact CD-OG 3.5Å; K507-S845 WeakPolarHBondContact CE-OG 3.38Å; K507-S845 WeakPolarHBondContact CG-OG 3.33Å; H509-S845 PolarHBondContact NE2-OG 2.9Å; K822-S845 PolarHBondContact N-O 3.02Å; K822-S845 PolarHBondContact O-N 2.92Å
846	V	98.1	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123	-167	-176.8	0	0	0	0	110.5	K507 I508 I510 I729 F731 F844 L848	K507-V846 CarbonylContact C-O 3.55Å; K507-V846 WeakPolarHBondContact CA-O 3.48Å; I508-V846 HydrophobicContact CG1-CB 4.14Å; I508-V846 PolarHBondContact N-O 3.25Å; I508-V846 PolarHBondContact O-N 3.45Å; I510-V846 HydrophobicContact CB-CG2 4.26Å; I510-V846 HydrophobicContact CD1-CB 4.15Å; I510-V846 HydrophobicContact CD1-CG1 4.18Å; I510-V846 HydrophobicContact CD1-CG2 3.83Å; I510-V846 HydrophobicContact CG1-CB 4.26Å; I510-V846 HydrophobicContact CG1-CG2 3.83Å; I729-V846 HydrophobicContact CD1-CG1 3.5Å; I729-V846 VanDerWaalsContact CD1-CG1 3.5Å; F731-V846 HydrophobicContact CZ-CG2 4.33Å; F844-V846 HydrophobicContact CB-CG2 3.75Å; V846-L848 HydrophobicContact CG1-CD2 3.93Å; V846-L848 PolarHBondContact O-N 3.13Å
847	D	96.7	Very high	92.9	Very high	46 Å²	46	30.3 Å²	30.3	25%	0.246	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	89.8	-173.1	-90.9	-41.1	0	0	0	112.8	I505 K507 G820	I505-D847 HydrophobicContact CG2-CB 3.43Å; I505-D847 VanDerWaalsContact CG2-CB 3.43Å; I505-D847 WeakPolarHBondContact CG2-OD1 3.37Å; K507-D847 WeakPolarHBondContact CA-OD1 3.23Å; K507-D847 WeakPolarHBondContact CE-OD1 3.38Å; K507-D847 WeakPolarHBondContact CE-OD2 3.31Å; K507-D847 PolarHBondContact N-OD1 3.27Å; K507-D847 IonicContact NZ-OD1 2.79Å; K507-D847 IonicContact NZ-OD2 3.69Å; K507-D847 PolarHBondContact NZ-OD2 2.85Å; G820-D847 PolarHBondContact O-N 3.01Å
848	L	94.6	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.5	-179.9	-56.3	-173.3	0	0	0	112.9	I505 K506 I508 I671 F672 L676 I729 V846	I505-L848 CarbonylContact C-O 3.59Å; I505-L848 WeakPolarHBondContact CA-O 3.3Å; K506-L848 PolarHBondContact N-O 2.99Å; K506-L848 PolarHBondContact O-N 2.85Å; I508-L848 HydrophobicContact CD1-CD1 3.57Å; I508-L848 HydrophobicContact CD1-CG 4.05Å; I508-L848 HydrophobicContact CG1-CD1 4.05Å; I508-L848 HydrophobicContact CG1-CG 4.05Å; I508-L848 HydrophobicContact CG2-CD1 4.31Å; I671-L848 HydrophobicContact CB-CD1 3.88Å; I671-L848 HydrophobicContact CG2-CD1 3.79Å; F672-L848 HydrophobicContact CD2-CB 4.01Å; F672-L848 HydrophobicContact CD2-CD1 4.09Å; F672-L848 HydrophobicContact CE2-CB 4.35Å; F672-L848 HydrophobicContact CE2-CD1 4.19Å; L676-L848 HydrophobicContact CD1-CD2 4.46Å; L676-L848 HydrophobicContact CD2-CD2 3.89Å; L676-L848 HydrophobicContact CG-CD2 4.49Å; I729-L848 HydrophobicContact CD1-CD2 3.94Å; V846-L848 HydrophobicContact CG1-CD2 3.93Å; V846-L848 PolarHBondContact O-N 3.13Å
849	R	92.3	Very high	91.9	Very high	79 Å²	79	37.8 Å²	37.8	30%	0.298	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.5	176.7	-165.2	174	-58.9	-78.2	-3.4	111.6	M499 S503 I505 F672 N673 S674	M499-R849 VanDerWaalsContact SD-CD 3.52Å; S503-R849 PolarHBondContact OG-NH1 3.07Å; S503-R849 VanDerWaalsContact OG-NH1 3.13Å; I505-R849 HydrophobicContact CD1-CB 4.44Å; F672-R849 WeakPolarHBondContact CB-O 3.16Å; N673-R849 CarbonylContact C-O 3.56Å; N673-R849 WeakPolarHBondContact CA-O 3.37Å; N673-R849 WeakPolarHBondContact CB-O 3.33Å; N673-R849 PolarHBondContact N-O 3.36Å; S674-R849 WeakPolarHBondContact OG-CB 3.46Å; S674-R849 PolarHBondContact OG-N 3.27Å
850	R	91.6	Very high	91.3	Very high	102 Å²	102	39 Å²	39	39%	0.385	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.8	172.2	174.8	179.2	167.3	148.7	-4.2	110.3	S503 K504 K506 H640 F672	S503-R850 CarbonylContact C-O 3.16Å; S503-R850 WeakPolarHBondContact CA-O 3.07Å; K504-R850 PolarHBondContact N-O 3.31Å; K504-R850 PolarHBondContact O-N 3.16Å; K506-R850 HydrophobicContact CG-CB 4.41Å; H640-R850 PolarHBondContact NE2-NH1 3.37Å; F672-R850 HydrophobicContact CB-CB 3.87Å; F672-R850 HydrophobicContact CB-CG 4.26Å; F672-R850 HydrophobicContact CD1-CB 4.04Å; F672-R850 HydrophobicContact CD1-CG 3.92Å; F672-R850 HydrophobicContact CG-CB 3.93Å; F672-R850 HydrophobicContact CG-CG 4.27Å
851	I	88.8	Confident	90.7	Very high	55 Å²	55	41.9 Å²	41.9	28%	0.282	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.1	173.9	-65.9	179.9	0	0	0	110.1	Y502 N673 F856	Y502-I851 HydrophobicContact CD2-CG1 4.3Å; Y502-I851 HydrophobicContact CD2-CG2 4.12Å; Y502-I851 HydrophobicContact CE2-CD1 4.17Å; Y502-I851 HydrophobicContact CE2-CG1 4.32Å; N673-I851 HydrophobicContact CB-CD1 4.36Å; N673-I851 HydrophobicContact CB-CG1 4.17Å; N673-I851 WeakPolarHBondContact OD1-CB 3.39Å; N673-I851 PolarHBondContact OD1-N 2.88Å; I851-F856 HydrophobicContact CG2-CB 3.79Å; I851-F856 HydrophobicContact CG2-CG 4.23Å
852	I	88.8	Confident	90.2	Very high	56 Å²	56	44.1 Å²	44.1	29%	0.287	21%	0.207	S	C	.	.			trans	-94.2	102	170.5	-59.7	178.1	0	0	0	107.5	Y502 K504 S854 A855 F856	Y502-I852 PolarHBondContact O-N 2.93Å; K504-I852 HydrophobicContact CD-CD1 3.8Å; K504-I852 HydrophobicContact CG-CD1 3.82Å; I852-S854 VanDerWaalsContact C-N 3.27Å; I852-S854 PolarHBondContact O-N 2.85Å; I852-S854 VanDerWaalsContact O-N 3.12Å; I852-A855 HydrophobicContact CB-CB 4.1Å; I852-A855 HydrophobicContact CG2-CB 4.03Å; I852-A855 PolarHBondContact O-N 2.69Å; I852-F856 PolarHBondContact O-N 2.92Å
853	R	78.2	Confident	89.6	Confident	113 Å²	113	44.2 Å²	44.2	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-45.8	-46.6	-175.9	-168.2	-146.9	-162.9	84.9	-10	113.9	E473 L475 F856 Q857	E473-R853 VanDerWaalsContact O-CZ 3.23Å; E473-R853 PolarHBondContact O-NH1 2.63Å; E473-R853 PolarHBondContact O-NH2 2.75Å; L475-R853 HydrophobicContact CB-CG 4.26Å; L475-R853 HydrophobicContact CD1-CG 3.96Å; L475-R853 VanDerWaalsContact N-NH1 3.17Å; R853-F856 PolarHBondContact O-N 3.04Å; R853-Q857 WeakPolarHBondContact O-CB 3.36Å; R853-Q857 PolarHBondContact O-N 2.88Å
854	S	84.7	Confident	88.9	Confident	71 Å²	71	46.2 Å²	46.2	50%	0.497	22%	0.218	S	C	.	.	H	α-helix	trans	-72.3	-27.1	-177	51.7	0	0	0	0	113.9	I852 R858	I852-S854 VanDerWaalsContact C-N 3.27Å; I852-S854 PolarHBondContact O-N 2.85Å; I852-S854 VanDerWaalsContact O-N 3.12Å; S854-R858 WeakPolarHBondContact O-CG 3.4Å
855	A	86.8	Confident	88.2	Confident	13 Å²	13	51.8 Å²	51.8	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-78.3	-40.5	170.8	0	0	0	0	0	110.9	I852 Q857 R858 A859	I852-A855 HydrophobicContact CB-CB 4.1Å; I852-A855 HydrophobicContact CG2-CB 4.03Å; I852-A855 PolarHBondContact O-N 2.69Å; A855-Q857 PolarHBondContact O-N 2.9Å; A855-R858 PolarHBondContact O-N 3.32Å; A855-A859 PolarHBondContact O-N 2.73Å
856	F	87.4	Confident	87.5	Confident	20 Å²	20	53 Å²	53	9%	0.088	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-44.3	175.8	175.8	-96.8	0	0	0	111.9	F480 L495 Y502 I851 I852 R853 R858 A859 Y860	F480-F856 AromaticContact CE2-CE2 3.94Å; F480-F856 HydrophobicContact CE2-CE2 3.94Å; F480-F856 AromaticContact CE2-CZ 3.59Å; F480-F856 HydrophobicContact CE2-CZ 3.59Å; F480-F856 AromaticContact CZ-CE2 3.79Å; F480-F856 HydrophobicContact CZ-CE2 3.79Å; F480-F856 AromaticContact CZ-CZ 3.67Å; F480-F856 HydrophobicContact CZ-CZ 3.67Å; L495-F856 HydrophobicContact CD1-CE2 4.35Å; L495-F856 HydrophobicContact CD1-CZ 4.5Å; Y502-F856 HydrophobicContact CD1-CD2 4.08Å; Y502-F856 HydrophobicContact CD2-CB 4.2Å; Y502-F856 AromaticContact CD2-CD2 3.76Å; Y502-F856 HydrophobicContact CD2-CD2 3.76Å; Y502-F856 HydrophobicContact CD2-CG 4.46Å; Y502-F856 AromaticContact CE1-CD2 3.99Å; Y502-F856 HydrophobicContact CE1-CD2 3.99Å; Y502-F856 HydrophobicContact CE1-CE2 4.39Å; Y502-F856 AromaticContact CE2-CD2 3.69Å; Y502-F856 HydrophobicContact CE2-CD2 3.69Å; Y502-F856 HydrophobicContact CE2-CE2 4.29Å; Y502-F856 HydrophobicContact CG-CB 4.11Å; Y502-F856 AromaticContact CG-CD2 3.95Å; Y502-F856 HydrophobicContact CG-CD2 3.95Å; Y502-F856 AromaticContact CZ-CD2 3.79Å; I851-F856 HydrophobicContact CG2-CB 3.79Å; I851-F856 HydrophobicContact CG2-CG 4.23Å; I852-F856 PolarHBondContact O-N 2.92Å; R853-F856 PolarHBondContact O-N 3.04Å; F856-R858 VanDerWaalsContact C-N 3.34Å; F856-R858 PolarHBondContact O-N 3.16Å; F856-A859 PolarHBondContact O-N 2.99Å; F856-Y860 HydrophobicContact CZ-CD2 4.39Å; F856-Y860 WeakPolarHBondContact O-CB 3.19Å; F856-Y860 PolarHBondContact O-N 3.14Å
857	Q	81.7	Confident	86.6	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-57.7	-46.1	177.2	-172.6	64.4	28	0	0	111.6	R853 A855 Y860 E861	R853-Q857 WeakPolarHBondContact O-CB 3.36Å; R853-Q857 PolarHBondContact O-N 2.88Å; A855-Q857 PolarHBondContact O-N 2.9Å; Q857-Y860 PolarHBondContact O-N 3.02Å; Q857-E861 VanDerWaalsContact NE2-CD 3.27Å; Q857-E861 PolarHBondContact NE2-OE1 2.72Å; Q857-E861 WeakPolarHBondContact O-CB 3.32Å; Q857-E861 WeakPolarHBondContact O-CG 3.44Å; Q857-E861 PolarHBondContact O-N 2.7Å
858	R	86.8	Confident	85.7	Confident	161 Å²	161	56.1 Å²	56.1	61%	0.608	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-41.2	177.2	-69.5	-173	-59.2	-108.1	3.5	112.7	S854 A855 F856 Y860 S862	S854-R858 WeakPolarHBondContact O-CG 3.4Å; A855-R858 PolarHBondContact O-N 3.32Å; F856-R858 VanDerWaalsContact C-N 3.34Å; F856-R858 PolarHBondContact O-N 3.16Å; R858-Y860 VanDerWaalsContact C-N 3.35Å; R858-S862 VanDerWaalsContact O-CB 3.24Å; R858-S862 WeakPolarHBondContact O-CB 3.24Å; R858-S862 PolarHBondContact O-N 3.03Å
859	A	86.6	Confident	84.9	Confident	3 Å²	3	61 Å²	61	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-42.1	175.4	0	0	0	0	0	111.2	L495 Y502 A855 F856 S862 V863	L495-A859 HydrophobicContact CD2-CB 3.71Å; Y502-A859 HydrophobicContact CD1-CB 3.84Å; Y502-A859 HydrophobicContact CE1-CB 4.5Å; A855-A859 PolarHBondContact O-N 2.73Å; F856-A859 PolarHBondContact O-N 2.99Å; A859-S862 PolarHBondContact O-N 2.8Å; A859-V863 WeakPolarHBondContact O-CB 3.37Å; A859-V863 WeakPolarHBondContact O-CG2 3.39Å; A859-V863 PolarHBondContact O-N 2.97Å
860	Y	85	Confident	84.1	Confident	25 Å²	25	61.4 Å²	61.4	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-45.8	177.3	177.3	-88.5	0	0	0	112.2	V479 I491 L495 F856 Q857 R858 V863 L864	V479-Y860 HydrophobicContact CG1-CE2 3.89Å; I491-Y860 HydrophobicContact CG2-CD2 4.19Å; I491-Y860 HydrophobicContact CG2-CE2 3.93Å; L495-Y860 HydrophobicContact CD1-CD2 3.66Å; L495-Y860 HydrophobicContact CD1-CG 4.34Å; F856-Y860 HydrophobicContact CZ-CD2 4.39Å; F856-Y860 WeakPolarHBondContact O-CB 3.19Å; F856-Y860 PolarHBondContact O-N 3.14Å; Q857-Y860 PolarHBondContact O-N 3.02Å; R858-Y860 VanDerWaalsContact C-N 3.35Å; Y860-V863 PolarHBondContact O-N 2.68Å; Y860-L864 HydrophobicContact CD1-CD1 4.04Å; Y860-L864 HydrophobicContact CE1-CD1 3.37Å; Y860-L864 HydrophobicContact CE1-CG 4.07Å; Y860-L864 PolarHBondContact O-N 3.41Å
861	E	85	Confident	83.3	Confident	61 Å²	61	59.9 Å²	59.9	29%	0.285	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-37.9	176.4	-71.7	171.8	157.5	0	0	111.6	K233 Q857 L864 L865	K233-E861 IonicContact NZ-OE1 3.7Å; K233-E861 PolarHBondContact NZ-OE1 2.91Å; Q857-E861 VanDerWaalsContact NE2-CD 3.27Å; Q857-E861 PolarHBondContact NE2-OE1 2.72Å; Q857-E861 WeakPolarHBondContact O-CB 3.32Å; Q857-E861 WeakPolarHBondContact O-CG 3.44Å; Q857-E861 PolarHBondContact O-N 2.7Å; E861-L864 PolarHBondContact O-N 2.74Å; E861-L865 WeakPolarHBondContact O-CB 3.41Å; E861-L865 VanDerWaalsContact O-CG 3.25Å; E861-L865 WeakPolarHBondContact O-CG 3.49Å; E861-L865 PolarHBondContact O-N 3.37Å
862	S	87.8	Confident	82.6	Confident	48 Å²	48	62 Å²	62	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-37.9	171.8	178.4	0	0	0	0	112.9	R858 A859 S866	R858-S862 VanDerWaalsContact O-CB 3.24Å; R858-S862 WeakPolarHBondContact O-CB 3.24Å; R858-S862 PolarHBondContact O-N 3.03Å; A859-S862 PolarHBondContact O-N 2.8Å; S862-S866 WeakPolarHBondContact O-CB 3.43Å; S862-S866 PolarHBondContact O-N 3.14Å
863	V	86.7	Confident	82	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-42	176.8	163.4	0	0	0	0	111.4	I491 K494 L495 A859 Y860 S866 I867	I491-V863 HydrophobicContact CB-CG1 4.41Å; I491-V863 HydrophobicContact CG1-CG1 4.36Å; I491-V863 HydrophobicContact CG2-CG1 4.2Å; K494-V863 HydrophobicContact CB-CG1 3.8Å; K494-V863 HydrophobicContact CB-CG2 3.95Å; K494-V863 HydrophobicContact CD-CG1 3.93Å; L495-V863 HydrophobicContact CD2-CG2 4.01Å; L495-V863 HydrophobicContact CG-CB 4.37Å; L495-V863 HydrophobicContact CG-CG1 4.47Å; L495-V863 HydrophobicContact CG-CG2 4.06Å; A859-V863 WeakPolarHBondContact O-CB 3.37Å; A859-V863 WeakPolarHBondContact O-CG2 3.39Å; A859-V863 PolarHBondContact O-N 2.97Å; Y860-V863 PolarHBondContact O-N 2.68Å; V863-S866 PolarHBondContact O-N 2.89Å; V863-S866 PolarHBondContact O-OG 2.98Å; V863-I867 HydrophobicContact CG1-CD1 4.14Å; V863-I867 WeakPolarHBondContact O-CG1 3.49Å; V863-I867 PolarHBondContact O-N 3.36Å
864	L	82.4	Confident	81.9	Confident	41 Å²	41	60.1 Å²	60.1	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-54.7	171	-75.5	-179.9	0	0	0	111.2	I491 Y860 E861 S866 I867 D868	I491-L864 HydrophobicContact CD1-CD2 3.71Å; I491-L864 HydrophobicContact CG1-CD2 4.35Å; Y860-L864 HydrophobicContact CD1-CD1 4.04Å; Y860-L864 HydrophobicContact CE1-CD1 3.37Å; Y860-L864 HydrophobicContact CE1-CG 4.07Å; Y860-L864 PolarHBondContact O-N 3.41Å; E861-L864 PolarHBondContact O-N 2.74Å; L864-S866 PolarHBondContact O-N 2.9Å; L864-S866 VanDerWaalsContact O-N 3.1Å; L864-I867 CarbonylContact O-C 3.5Å; L864-I867 WeakPolarHBondContact O-CA 3.46Å; L864-I867 WeakPolarHBondContact O-CB 3.34Å; L864-I867 PolarHBondContact O-N 2.94Å; L864-D868 VanDerWaalsContact O-CG 3.28Å; L864-D868 PolarHBondContact O-N 2.91Å
865	L	84.2	Confident	81.8	Confident	118 Å²	118	60.5 Å²	60.5	62%	0.618	32%	0.321	S	S	*	.	H	α-helix	trans	-53.9	-35.8	177.2	-73.6	166.7	0	0	0	112.5	E861 I867 L869	E861-L865 WeakPolarHBondContact O-CB 3.41Å; E861-L865 VanDerWaalsContact O-CG 3.25Å; E861-L865 WeakPolarHBondContact O-CG 3.49Å; E861-L865 PolarHBondContact O-N 3.37Å; L865-I867 VanDerWaalsContact C-N 3.35Å; L865-L869 WeakPolarHBondContact O-CB 3.36Å; L865-L869 PolarHBondContact O-N 2.89Å
866	S	82.6	Confident	81.7	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-33	174.9	81.5	0	0	0	0	113.4	K494 S862 V863 L864 T870	K494-S866 PolarHBondContact NZ-OG 2.96Å; S862-S866 WeakPolarHBondContact O-CB 3.43Å; S862-S866 PolarHBondContact O-N 3.14Å; V863-S866 PolarHBondContact O-N 2.89Å; V863-S866 PolarHBondContact O-OG 2.98Å; L864-S866 PolarHBondContact O-N 2.9Å; L864-S866 VanDerWaalsContact O-N 3.1Å; S866-T870 WeakPolarHBondContact O-CB 3.26Å; S866-T870 PolarHBondContact O-N 2.83Å; S866-T870 VanDerWaalsContact O-N 3.16Å; S866-T870 PolarHBondContact O-OG1 2.81Å
867	I	79.8	Confident	81.7	Confident	33 Å²	33	64.2 Å²	64.2	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-79.1	-45.4	178.6	-68.1	166	0	0	0	109.6	I490 I491 V863 L864 L865 L869 T870 T871	I490-I867 HydrophobicContact CG2-CD1 4.23Å; I491-I867 HydrophobicContact CD1-CD1 4.39Å; I491-I867 HydrophobicContact CG1-CD1 3.49Å; I491-I867 VanDerWaalsContact CG1-CD1 3.49Å; V863-I867 HydrophobicContact CG1-CD1 4.14Å; V863-I867 WeakPolarHBondContact O-CG1 3.49Å; V863-I867 PolarHBondContact O-N 3.36Å; L864-I867 CarbonylContact O-C 3.5Å; L864-I867 WeakPolarHBondContact O-CA 3.46Å; L864-I867 WeakPolarHBondContact O-CB 3.34Å; L864-I867 PolarHBondContact O-N 2.94Å; L865-I867 VanDerWaalsContact C-N 3.35Å; I867-L869 PolarHBondContact O-N 2.67Å; I867-T870 PolarHBondContact O-N 2.94Å; I867-T871 WeakPolarHBondContact O-CB 3.43Å; I867-T871 PolarHBondContact O-N 2.98Å; I867-T871 PolarHBondContact O-OG1 3.02Å
868	D	77.3	Confident	82.2	Confident	79 Å²	79	61.6 Å²	61.6	42%	0.422	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-44.6	177.2	-57.1	-29.2	0	0	0	110.4	L864 T871 N872	L864-D868 VanDerWaalsContact O-CG 3.28Å; L864-D868 PolarHBondContact O-N 2.91Å; D868-T871 PolarHBondContact O-N 2.8Å; D868-N872 WeakPolarHBondContact O-CB 3.26Å; D868-N872 PolarHBondContact O-N 3.46Å; D868-N872 PolarHBondContact O-ND2 3.27Å
869	L	78.5	Confident	82.6	Confident	103 Å²	103	59.4 Å²	59.4	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-46.1	173.5	179.4	63	0	0	0	112.2	L865 I867 T871 N872 L873	L865-L869 WeakPolarHBondContact O-CB 3.36Å; L865-L869 PolarHBondContact O-N 2.89Å; I867-L869 PolarHBondContact O-N 2.67Å; L869-T871 VanDerWaalsContact C-N 3.28Å; L869-T871 PolarHBondContact O-N 3.34Å; L869-N872 PolarHBondContact O-N 3.22Å; L869-L873 HydrophobicContact CD1-CD1 3.94Å; L869-L873 HydrophobicContact CD1-CG 4.11Å; L869-L873 HydrophobicContact CG-CD1 3.9Å; L869-L873 HydrophobicContact CG-CG 4.45Å; L869-L873 WeakPolarHBondContact O-CB 3.37Å; L869-L873 VanDerWaalsContact O-CG 3.24Å; L869-L873 WeakPolarHBondContact O-CG 3.44Å; L869-L873 PolarHBondContact O-N 3.44Å
870	T	75.3	Confident	83	Confident	87 Å²	87	60 Å²	60	53%	0.534	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-39.4	177.7	-55.6	0	0	0	0	110.9	S866 I867 L873 S874	S866-T870 WeakPolarHBondContact O-CB 3.26Å; S866-T870 PolarHBondContact O-N 2.83Å; S866-T870 VanDerWaalsContact O-N 3.16Å; S866-T870 PolarHBondContact O-OG1 2.81Å; I867-T870 PolarHBondContact O-N 2.94Å; T870-L873 PolarHBondContact O-N 3.22Å; T870-S874 WeakPolarHBondContact O-CB 3.15Å; T870-S874 PolarHBondContact O-N 3.07Å; T870-S874 PolarHBondContact O-OG 2.65Å
871	T	75.5	Confident	83.5	Confident	69 Å²	69	63.1 Å²	63.1	42%	0.423	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-48.7	179.1	-52.4	0	0	0	0	110.5	I867 D868 L869 L873 S874 L875	I867-T871 WeakPolarHBondContact O-CB 3.43Å; I867-T871 PolarHBondContact O-N 2.98Å; I867-T871 PolarHBondContact O-OG1 3.02Å; D868-T871 PolarHBondContact O-N 2.8Å; L869-T871 VanDerWaalsContact C-N 3.28Å; L869-T871 PolarHBondContact O-N 3.34Å; T871-L873 VanDerWaalsContact C-N 3.33Å; T871-L873 PolarHBondContact O-N 2.96Å; T871-S874 WeakPolarHBondContact CA-OG 3.38Å; T871-S874 PolarHBondContact O-N 3.39Å; T871-S874 PolarHBondContact O-OG 2.84Å; T871-L875 PolarHBondContact O-N 2.79Å
872	N	73.4	Confident	83.9	Confident	99 Å²	99	65.7 Å²	65.7	53%	0.529	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-35.7	177.8	-69	-22.3	0	0	0	112.9	D868 L869 S874	D868-N872 WeakPolarHBondContact O-CB 3.26Å; D868-N872 PolarHBondContact O-N 3.46Å; D868-N872 PolarHBondContact O-ND2 3.27Å; L869-N872 PolarHBondContact O-N 3.22Å; N872-S874 VanDerWaalsContact C-N 3.3Å
873	L	75.7	Confident	84.2	Confident	82 Å²	82	68 Å²	68	43%	0.429	36%	0.358	S	S	.	.	H	α-helix	trans	-72.4	-22.1	173	-71.2	172.1	0	0	0	113.2	L869 T870 T871 L907	L869-L873 HydrophobicContact CD1-CD1 3.94Å; L869-L873 HydrophobicContact CD1-CG 4.11Å; L869-L873 HydrophobicContact CG-CD1 3.9Å; L869-L873 HydrophobicContact CG-CG 4.45Å; L869-L873 WeakPolarHBondContact O-CB 3.37Å; L869-L873 VanDerWaalsContact O-CG 3.24Å; L869-L873 WeakPolarHBondContact O-CG 3.44Å; L869-L873 PolarHBondContact O-N 3.44Å; T870-L873 PolarHBondContact O-N 3.22Å; T871-L873 VanDerWaalsContact C-N 3.33Å; T871-L873 PolarHBondContact O-N 2.96Å; L873-L907 HydrophobicContact CB-CD1 3.95Å; L873-L907 WeakPolarHBondContact O-CD1 3.4Å
874	S	77.1	Confident	84.6	Confident	49 Å²	49	73.4 Å²	73.4	34%	0.343	38%	0.383	S	S	.	.	H	α-helix	trans	-86.3	-10.4	178.5	72.7	0	0	0	0	114.4	T870 T871 N872 N908	T870-S874 WeakPolarHBondContact O-CB 3.15Å; T870-S874 PolarHBondContact O-N 3.07Å; T870-S874 PolarHBondContact O-OG 2.65Å; T871-S874 WeakPolarHBondContact CA-OG 3.38Å; T871-S874 PolarHBondContact O-N 3.39Å; T871-S874 PolarHBondContact O-OG 2.84Å; N872-S874 VanDerWaalsContact C-N 3.3Å; S874-N908 PolarHBondContact O-ND2 2.9Å
875	L	81.8	Confident	85.3	Confident	79 Å²	79	71.5 Å²	71.5	41%	0.414	37%	0.373	S	S	.	.	S	Bend	trans	-61.5	146.4	177	-68.5	173.8	0	0	0	111.5	T871 Q877	T871-L875 PolarHBondContact O-N 2.79Å; L875-Q877 PolarHBondContact O-N 3.06Å
876	P	85	Confident	85.8	Confident	28 Å²	28	70.5 Å²	70.5	18%	0.182	37%	0.368	C	S	.	.			trans	-58	122.2	174.8	-27.3	37	0	0	0	112.7	F910 L972 E973	P876-F910 HydrophobicContact CB-CB 3.83Å; P876-F910 HydrophobicContact CB-CD1 4.32Å; P876-F910 HydrophobicContact CB-CG 4.3Å; P876-F910 HydrophobicContact CG-CB 4.2Å; P876-L972 HydrophobicContact CB-CB 4.36Å; P876-L972 HydrophobicContact CB-CD1 4Å; P876-E973 WeakPolarHBondContact CG-O 3.07Å
877	Q	87.2	Confident	86.4	Confident	82 Å²	82	69.8 Å²	69.8	38%	0.383	36%	0.361	S	S	.	.			trans	-122.2	129.1	174.1	-60.3	-175.5	19.8	0	0	109.4	L875 N904 I905 G906 F910	L875-Q877 PolarHBondContact O-N 3.06Å; Q877-N904 PolarHBondContact O-OD1 2.9Å; Q877-I905 HydrophobicContact CB-CD1 4.33Å; Q877-I905 HydrophobicContact CB-CG1 3.85Å; Q877-I905 PolarHBondContact O-N 2.84Å; Q877-G906 PolarHBondContact O-N 3.23Å; Q877-F910 WeakPolarHBondContact O-CE1 3.24Å
878	A	92.6	Very high	87.1	Confident	7 Å²	7	69.5 Å²	69.5	6%	0.058	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.5	-179.4	0	0	0	0	0	110.5	L902 T903 F910 L972 Y978	A878-L902 HydrophobicContact CB-CD1 3.74Å; A878-T903 CarbonylContact C-O 3.6Å; A878-T903 VanDerWaalsContact CA-O 3.22Å; A878-T903 WeakPolarHBondContact CA-O 3.25Å; A878-F910 HydrophobicContact CB-CE1 3.64Å; A878-F910 HydrophobicContact CB-CZ 3.54Å; A878-L972 HydrophobicContact CB-CD1 3.85Å; A878-L972 HydrophobicContact CB-CD2 4.35Å; A878-Y978 HydrophobicContact CB-CE2 4.41Å; A878-Y978 PolarHBondContact O-OH 3.25Å
879	E	94.3	Very high	87.9	Confident	116 Å²	116	69.2 Å²	69.2	54%	0.542	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.8	171	-171.2	166.6	-161.4	0	0	109.4	L902 T903 I905	E879-L902 CarbonylContact O-C 3.58Å; E879-L902 WeakPolarHBondContact O-CA 3.18Å; E879-T903 PolarHBondContact N-O 2.66Å; E879-T903 PolarHBondContact O-N 3.11Å; E879-I905 HydrophobicContact CB-CD1 4.29Å; E879-I905 HydrophobicContact CB-CG2 4.07Å
880	L	95.1	Very high	88.7	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.6	172	-74.2	171.1	0	0	0	107.6	R882 Q883 L900 T901 L902 Y978 I980	L880-R882 PolarHBondContact O-N 3.49Å; L880-Q883 HydrophobicContact CB-CG 4.11Å; L880-Q883 HydrophobicContact CD1-CG 3.85Å; L880-L900 HydrophobicContact CD2-CD1 3.54Å; L880-T901 WeakPolarHBondContact CA-O 3.35Å; L880-L902 HydrophobicContact CD2-CB 4.08Å; L880-L902 HydrophobicContact CD2-CD1 3.65Å; L880-L902 HydrophobicContact CD2-CG 4.49Å; L880-L902 HydrophobicContact CG-CD1 4.11Å; L880-Y978 HydrophobicContact CD1-CD1 3.66Å; L880-Y978 HydrophobicContact CD1-CG 3.8Å; L880-Y978 HydrophobicContact CG-CD1 4.35Å; L880-I980 HydrophobicContact CD1-CD1 4.21Å; L880-I980 HydrophobicContact CD1-CG1 4.14Å
881	D	95.7	Very high	89.6	Confident	90 Å²	90	62.3 Å²	62.3	48%	0.481	33%	0.328	S	S	.	.	S	Bend	trans	-60.3	-25.9	176.9	63.6	-7.8	0	0	0	113.2	L900 T901	D881-L900 WeakPolarHBondContact OD1-CA 3.46Å; D881-L900 VanDerWaalsContact OD1-CB 3.3Å; D881-L900 WeakPolarHBondContact OD1-CB 3.3Å; D881-T901 PolarHBondContact N-O 2.8Å; D881-T901 VanDerWaalsContact N-O 3.13Å; D881-T901 PolarHBondContact OD1-N 3.39Å; D881-T901 WeakPolarHBondContact OD2-CB 3.42Å; D881-T901 PolarHBondContact OD2-N 3.49Å; D881-T901 VanDerWaalsContact OD2-N 3.13Å; D881-T901 PolarHBondContact OD2-OG1 3.2Å
882	R	94.7	Very high	90.5	Very high	115 Å²	115	59.1 Å²	59.1	43%	0.434	31%	0.308	S	S	.	.			trans	-154.9	154.2	169.2	49.2	-178.9	161.3	-166.9	-6.7	111.7	L880 L885 S899 L900	L880-R882 PolarHBondContact O-N 3.49Å; R882-L885 HydrophobicContact CG-CD2 4.35Å; R882-S899 PolarHBondContact NE-O 3.34Å; R882-S899 PolarHBondContact NH2-O 3.5Å; R882-L900 HydrophobicContact CG-CB 3.92Å
883	Q	93.7	Very high	91.4	Very high	98 Å²	98	56.9 Å²	56.9	46%	0.458	30%	0.295	S	S	.	.	S	Bend	trans	-117.3	8.6	176.1	-67.9	175.8	16.6	0	0	112.6	L880 I980 S981	L880-Q883 HydrophobicContact CB-CG 4.11Å; L880-Q883 HydrophobicContact CD1-CG 3.85Å; Q883-I980 WeakPolarHBondContact O-CA 3.41Å; Q883-S981 PolarHBondContact O-N 3.47Å
884	E	95.7	Very high	92.1	Very high	115 Å²	115	56.1 Å²	56.1	54%	0.537	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.1	174	-176.1	165.6	-159	0	0	109.8	S981 N983	E884-S981 CarbonylContact C-O 3.44Å; E884-S981 WeakPolarHBondContact CA-O 3.29Å; E884-N983 PolarHBondContact OE1-ND2 2.76Å
885	L	95.6	Very high	92.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	98.1	176.3	-63.8	176.1	0	0	0	108.6	R882 F887 Q898 L900 F945 I980 S981 I982 N983	R882-L885 HydrophobicContact CG-CD2 4.35Å; L885-F887 HydrophobicContact CB-CD2 4.32Å; L885-F887 HydrophobicContact CB-CE2 3.87Å; L885-Q898 HydrophobicContact CD2-CB 4.33Å; L885-L900 HydrophobicContact CD1-CD2 4.2Å; L885-L900 HydrophobicContact CD2-CB 4.44Å; L885-L900 HydrophobicContact CG-CD2 4.48Å; L885-F945 HydrophobicContact CD1-CB 3.9Å; L885-F945 HydrophobicContact CD1-CD1 3.7Å; L885-F945 HydrophobicContact CD1-CD2 3.63Å; L885-F945 HydrophobicContact CD1-CE1 4.08Å; L885-F945 HydrophobicContact CD1-CE2 4.04Å; L885-F945 HydrophobicContact CD1-CG 3.47Å; L885-F945 VanDerWaalsContact CD1-CG 3.47Å; L885-F945 HydrophobicContact CD1-CZ 4.25Å; L885-I980 HydrophobicContact CD1-CG2 4.37Å; L885-S981 PolarHBondContact N-O 2.87Å; L885-I982 WeakPolarHBondContact O-CA 3.44Å; L885-N983 PolarHBondContact O-N 2.96Å
886	D	94.9	Very high	93.5	Very high	97 Å²	97	55.8 Å²	55.8	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	110.9	169	176.7	18.8	0	0	0	109.5	G888 Q898 N983	D886-G888 VanDerWaalsContact C-N 3.29Å; D886-G888 PolarHBondContact OD1-N 3.5Å; D886-Q898 PolarHBondContact O-NE2 3.28Å; D886-N983 CarbonylContact C-O 3.57Å; D886-N983 WeakPolarHBondContact CA-O 3.31Å
887	F	96.2	Very high	94	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-8.6	178.5	-75.6	-112.9	0	0	0	113	L885 V890 C896 Q898 F945 I947 I982 N983 A984	L885-F887 HydrophobicContact CB-CD2 4.32Å; L885-F887 HydrophobicContact CB-CE2 3.87Å; F887-V890 HydrophobicContact CB-CG2 4.2Å; F887-C896 HydrophobicContact CD1-CB 3.97Å; F887-C896 WeakPolarHBondContact CE1-O 3.41Å; F887-Q898 HydrophobicContact CD1-CB 4.43Å; F887-Q898 HydrophobicContact CD1-CG 3.9Å; F887-Q898 HydrophobicContact CD2-CG 4.29Å; F887-Q898 HydrophobicContact CE1-CB 3.88Å; F887-Q898 HydrophobicContact CE1-CG 3.85Å; F887-Q898 HydrophobicContact CE2-CB 4.06Å; F887-Q898 HydrophobicContact CE2-CG 4.23Å; F887-Q898 HydrophobicContact CG-CG 4.13Å; F887-Q898 HydrophobicContact CZ-CB 3.67Å; F887-Q898 HydrophobicContact CZ-CG 4.02Å; F887-F945 WeakPolarHBondContact CE1-O 3.43Å; F887-F945 HydrophobicContact CE2-CB 4.5Å; F887-F945 HydrophobicContact CZ-CB 3.82Å; F887-F945 WeakPolarHBondContact CZ-O 3.04Å; F887-I947 HydrophobicContact CB-CD1 4.07Å; F887-I947 HydrophobicContact CD1-CB 4.34Å; F887-I947 HydrophobicContact CD1-CD1 3.77Å; F887-I947 HydrophobicContact CD1-CG1 3.93Å; F887-I947 HydrophobicContact CD2-CD1 3.61Å; F887-I947 HydrophobicContact CD2-CG1 4.36Å; F887-I947 HydrophobicContact CE1-CB 4.35Å; F887-I947 HydrophobicContact CE1-CD1 4.04Å; F887-I947 HydrophobicContact CE1-CG1 3.78Å; F887-I947 HydrophobicContact CE2-CD1 3.9Å; F887-I947 HydrophobicContact CE2-CG1 4.24Å; F887-I947 HydrophobicContact CG-CD1 3.55Å; F887-I947 HydrophobicContact CG-CG1 4.22Å; F887-I947 HydrophobicContact CZ-CD1 4.1Å; F887-I947 HydrophobicContact CZ-CG1 3.95Å; F887-I982 HydrophobicContact CD2-CG2 4.19Å; F887-I982 HydrophobicContact CE2-CG2 3.87Å; F887-N983 PolarHBondContact N-O 3.18Å; F887-A984 HydrophobicContact CB-CB 3.87Å
888	G	94.3	Very high	94.4	Very high	27 Å²	27	55.7 Å²	55.7	28%	0.278	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.4	-138.6	-174.8	0	0	0	0	0	112	D886 Q985	D886-G888 VanDerWaalsContact C-N 3.29Å; D886-G888 PolarHBondContact OD1-N 3.5Å; G888-Q985 PolarHBondContact O-N 2.98Å
889	C	94.3	Very high	94.6	Very high	73 Å²	73	56.6 Å²	56.6	49%	0.493	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.9	-178.3	-58.3	0	0	0	0	111.8	Q985 I987	C889-Q985 CarbonylContact C-O 3.6Å; C889-Q985 WeakPolarHBondContact CA-O 3.41Å; C889-I987 HydrophobicContact CB-CD1 3.99Å; C889-I987 HydrophobicContact CB-CG1 3.86Å
890	V	94.9	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.1	175.6	174.2	0	0	0	0	109.4	F887 C896 I947 V949 L964 A984 Q985 F986 I987	F887-V890 HydrophobicContact CB-CG2 4.2Å; V890-C896 HydrophobicContact CG2-CB 4.1Å; V890-I947 HydrophobicContact CG1-CG2 3.92Å; V890-I947 HydrophobicContact CG2-CG2 4.35Å; V890-V949 HydrophobicContact CG1-CG2 3.99Å; V890-L964 HydrophobicContact CB-CD1 3.69Å; V890-L964 HydrophobicContact CG1-CD1 3.79Å; V890-L964 HydrophobicContact CG2-CD1 4.2Å; V890-A984 HydrophobicContact CG2-CB 3.71Å; V890-Q985 PolarHBondContact N-O 2.84Å; V890-F986 WeakPolarHBondContact O-CA 3.45Å; V890-F986 WeakPolarHBondContact O-CD2 3.48Å; V890-I987 PolarHBondContact O-N 3.22Å
891	H	94.6	Very high	94.7	Very high	46 Å²	46	52.4 Å²	52.4	21%	0.213	28%	0.277	C	S	.	.			trans	-96.9	163.9	176.9	-53.5	104.1	0	0	0	112.1	E894	H891-E894 HydrophobicContact CB-CB 4.24Å; H891-E894 IonicContact CG-OE2 3.26Å; H891-E894 IonicContact ND1-OE1 3.99Å; H891-E894 PolarHBondContact ND1-OE1 3.4Å; H891-E894 IonicContact ND1-OE2 2.72Å; H891-E894 PolarHBondContact ND1-OE2 3.33Å
892	F	94.7	Very high	94.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-62.4	138.2	171.3	171.5	-115.8	0	0	0	112	E894 V949 V954 F986 T989 F991 R1078 L1105 T1109	F892-E894 PolarHBondContact O-N 2.92Å; F892-V949 HydrophobicContact CD2-CG1 4.2Å; F892-V949 WeakPolarHBondContact CD2-O 3.39Å; F892-V954 HydrophobicContact CB-CG2 4.07Å; F892-V954 HydrophobicContact CD2-CB 3.61Å; F892-V954 HydrophobicContact CD2-CG1 4.33Å; F892-V954 HydrophobicContact CD2-CG2 3.46Å; F892-V954 VanDerWaalsContact CD2-CG2 3.46Å; F892-V954 HydrophobicContact CE2-CB 3.79Å; F892-V954 HydrophobicContact CE2-CG1 4.04Å; F892-V954 HydrophobicContact CE2-CG2 3.99Å; F892-V954 HydrophobicContact CG-CB 4.41Å; F892-V954 HydrophobicContact CG-CG2 3.75Å; F892-F986 HydrophobicContact CB-CE2 4.34Å; F892-F986 HydrophobicContact CB-CZ 4.28Å; F892-T989 HydrophobicContact CB-CG2 3.73Å; F892-T989 HydrophobicContact CG-CG2 4.22Å; F892-F991 HydrophobicContact CD1-CB 3.73Å; F892-F991 HydrophobicContact CD1-CD1 4.13Å; F892-F991 HydrophobicContact CD1-CD2 4.21Å; F892-F991 AromaticContact CD1-CG 3.77Å; F892-F991 HydrophobicContact CD1-CG 3.77Å; F892-F991 HydrophobicContact CE1-CB 3.68Å; F892-F991 AromaticContact CE1-CD1 3.45Å; F892-F991 HydrophobicContact CE1-CD1 3.45Å; F892-F991 VanDerWaalsContact CE1-CD1 3.45Å; F892-F991 HydrophobicContact CE1-CD2 4.35Å; F892-F991 HydrophobicContact CE1-CE1 4.14Å; F892-F991 AromaticContact CE1-CG 3.57Å; F892-F991 HydrophobicContact CE1-CG 3.57Å; F892-F991 HydrophobicContact CG-CB 4.5Å; F892-F991 HydrophobicContact CZ-CB 4.4Å; F892-F991 HydrophobicContact CZ-CD1 4.31Å; F892-R1078 VanDerWaalsContact O-CD 3.3Å; F892-R1078 WeakPolarHBondContact O-CD 3.14Å; F892-R1078 PolarHBondContact O-NH1 3.25Å; F892-L1105 HydrophobicContact CE1-CD2 3.87Å; F892-L1105 HydrophobicContact CE1-CG 4.21Å; F892-L1105 HydrophobicContact CZ-CD1 4.11Å; F892-L1105 HydrophobicContact CZ-CD2 4.02Å; F892-L1105 HydrophobicContact CZ-CG 4.11Å; F892-T1109 HydrophobicContact CE1-CG2 4.31Å; F892-T1109 HydrophobicContact CE2-CG2 4.29Å; F892-T1109 HydrophobicContact CZ-CG2 3.64Å
893	H	90.9	Very high	94.8	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.245	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.8	177.5	-153.5	-70.2	0	0	0	114.8	F948 V949 I1074	H893-F948 AromaticContact CD2-CZ 3.96Å; H893-F948 AromaticContact CE1-CZ 3.96Å; H893-F948 AromaticContact CG-CZ 3.9Å; H893-F948 AromaticContact ND1-CZ 3.9Å; H893-F948 AromaticContact NE2-CZ 4Å; H893-V949 PolarHBondContact N-O 3.43Å; H893-I1074 HydrophobicContact CB-CG2 4.23Å
894	E	91.6	Very high	94.9	Very high	66 Å²	66	39.9 Å²	39.9	31%	0.308	22%	0.223	S	C	.	.			trans	-113.2	142.9	175.7	-159.2	164.8	122.8	0	0	110.6	H891 F892 F948 R1078	H891-E894 HydrophobicContact CB-CB 4.24Å; H891-E894 IonicContact CG-OE2 3.26Å; H891-E894 IonicContact ND1-OE1 3.99Å; H891-E894 PolarHBondContact ND1-OE1 3.4Å; H891-E894 IonicContact ND1-OE2 2.72Å; H891-E894 PolarHBondContact ND1-OE2 3.33Å; F892-E894 PolarHBondContact O-N 2.92Å; E894-F948 WeakPolarHBondContact O-CD2 3.48Å; E894-R1078 IonicContact OE2-CZ 3.25Å; E894-R1078 VanDerWaalsContact OE2-CZ 3.23Å; E894-R1078 IonicContact OE2-NH1 2.65Å; E894-R1078 PolarHBondContact OE2-NH1 3.15Å; E894-R1078 IonicContact OE2-NH2 3.87Å; E894-R1078 PolarHBondContact OE2-NH2 3.26Å
895	L	92.4	Very high	94.8	Very high	101 Å²	101	38.4 Å²	38.4	53%	0.529	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	94.9	-179.1	-178	67.1	0	0	0	110.3	Q946 F948	L895-Q946 HydrophobicContact CD1-CB 4.08Å; L895-F948 HydrophobicContact CB-CD2 4.24Å; L895-F948 HydrophobicContact CD1-CB 4.01Å; L895-F948 HydrophobicContact CD1-CD2 4.47Å
896	C	94.6	Very high	94.3	Very high	19 Å²	19	38.8 Å²	38.8	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.7	176.9	-58.2	0	0	0	0	109.5	F887 V890 Q946 I947	F887-C896 HydrophobicContact CD1-CB 3.97Å; F887-C896 WeakPolarHBondContact CE1-O 3.41Å; V890-C896 HydrophobicContact CG2-CB 4.1Å; C896-Q946 WeakPolarHBondContact O-CA 3.41Å; C896-I947 PolarHBondContact N-O 2.81Å; C896-I947 PolarHBondContact O-N 2.69Å
897	S	95.9	Very high	93.9	Very high	59 Å²	59	39 Å²	39	41%	0.413	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132	-172.9	-55.2	0	0	0	0	112.1	F945	S897-F945 WeakPolarHBondContact CA-O 3.38Å
898	Q	96.3	Very high	93.4	Very high	50 Å²	50	41.8 Å²	41.8	23%	0.234	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	176.7	169.3	-69.7	-153.5	0.7	0	0	111.2	L885 D886 F887 F945	L885-Q898 HydrophobicContact CD2-CB 4.33Å; D886-Q898 PolarHBondContact O-NE2 3.28Å; F887-Q898 HydrophobicContact CD1-CB 4.43Å; F887-Q898 HydrophobicContact CD1-CG 3.9Å; F887-Q898 HydrophobicContact CD2-CG 4.29Å; F887-Q898 HydrophobicContact CE1-CB 3.88Å; F887-Q898 HydrophobicContact CE1-CG 3.85Å; F887-Q898 HydrophobicContact CE2-CB 4.06Å; F887-Q898 HydrophobicContact CE2-CG 4.23Å; F887-Q898 HydrophobicContact CG-CG 4.13Å; F887-Q898 HydrophobicContact CZ-CB 3.67Å; F887-Q898 HydrophobicContact CZ-CG 4.02Å; Q898-F945 PolarHBondContact N-O 3.27Å; Q898-F945 PolarHBondContact O-N 3.5Å
899	S	96	Very high	93.3	Very high	25 Å²	25	44.7 Å²	44.7	18%	0.175	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	153.8	179.3	44.8	0	0	0	0	112.3	R882 K942 L943	R882-S899 PolarHBondContact NE-O 3.34Å; R882-S899 PolarHBondContact NH2-O 3.5Å; S899-K942 WeakPolarHBondContact OG-CE 3.38Å; S899-K942 PolarHBondContact OG-NZ 2.81Å; S899-L943 CarbonylContact C-O 3.51Å; S899-L943 WeakPolarHBondContact CA-O 3.31Å; S899-L943 WeakPolarHBondContact CB-O 3.47Å
900	L	95.7	Very high	93.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	168.3	172.9	62.3	70.8	0	0	0	110.1	L880 D881 R882 L885 L943 F945 I980	L880-L900 HydrophobicContact CD2-CD1 3.54Å; D881-L900 WeakPolarHBondContact OD1-CA 3.46Å; D881-L900 VanDerWaalsContact OD1-CB 3.3Å; D881-L900 WeakPolarHBondContact OD1-CB 3.3Å; R882-L900 HydrophobicContact CG-CB 3.92Å; L885-L900 HydrophobicContact CD1-CD2 4.2Å; L885-L900 HydrophobicContact CD2-CB 4.44Å; L885-L900 HydrophobicContact CG-CD2 4.48Å; L900-L943 HydrophobicContact CD1-CB 3.95Å; L900-L943 HydrophobicContact CD1-CD1 3.9Å; L900-L943 HydrophobicContact CD1-CG 4.09Å; L900-L943 PolarHBondContact N-O 3.34Å; L900-L943 PolarHBondContact O-N 3.01Å; L900-F945 HydrophobicContact CD1-CE2 4.3Å; L900-F945 HydrophobicContact CD2-CE2 3.93Å; L900-F945 HydrophobicContact CD2-CZ 4.07Å; L900-F945 HydrophobicContact CG-CD2 4.47Å; L900-F945 HydrophobicContact CG-CE2 3.73Å; L900-F945 HydrophobicContact CG-CZ 4.35Å; L900-I980 HydrophobicContact CD2-CD1 3.99Å; L900-I980 HydrophobicContact CD2-CG1 4.17Å; L900-I980 HydrophobicContact CD2-CG2 3.88Å
901	T	96.8	Very high	93.2	Very high	43 Å²	43	46.4 Å²	46.4	26%	0.264	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.2	-174.2	-46.3	0	0	0	0	109.7	L880 D881	L880-T901 WeakPolarHBondContact CA-O 3.35Å; D881-T901 PolarHBondContact N-O 2.8Å; D881-T901 VanDerWaalsContact N-O 3.13Å; D881-T901 PolarHBondContact OD1-N 3.39Å; D881-T901 WeakPolarHBondContact OD2-CB 3.42Å; D881-T901 PolarHBondContact OD2-N 3.49Å; D881-T901 VanDerWaalsContact OD2-N 3.13Å; D881-T901 PolarHBondContact OD2-OG1 3.2Å
902	L	96.6	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.9	172.8	179.1	75	0	0	0	108.7	A878 E879 L880 F910 F912 V935 S940 I941 L943 L970	A878-L902 HydrophobicContact CB-CD1 3.74Å; E879-L902 CarbonylContact O-C 3.58Å; E879-L902 WeakPolarHBondContact O-CA 3.18Å; L880-L902 HydrophobicContact CD2-CB 4.08Å; L880-L902 HydrophobicContact CD2-CD1 3.65Å; L880-L902 HydrophobicContact CD2-CG 4.49Å; L880-L902 HydrophobicContact CG-CD1 4.11Å; L902-F910 HydrophobicContact CD2-CE2 4Å; L902-F910 HydrophobicContact CD2-CZ 4.22Å; L902-F910 HydrophobicContact CG-CZ 4.26Å; L902-F912 HydrophobicContact CD2-CB 4.31Å; L902-F912 HydrophobicContact CD2-CD1 3.6Å; L902-F912 HydrophobicContact CD2-CD2 4.29Å; L902-F912 HydrophobicContact CD2-CE1 3.93Å; L902-F912 HydrophobicContact CD2-CG 3.79Å; L902-F912 HydrophobicContact CD2-CZ 4.44Å; L902-V935 HydrophobicContact CD2-CG2 4.09Å; L902-S940 CarbonylContact O-C 3.59Å; L902-S940 WeakPolarHBondContact O-CA 3.31Å; L902-I941 HydrophobicContact CB-CG2 3.87Å; L902-I941 HydrophobicContact CD2-CG2 4.1Å; L902-I941 HydrophobicContact CG-CG2 4.4Å; L902-I941 PolarHBondContact N-O 3.24Å; L902-I941 PolarHBondContact O-N 3.49Å; L902-L943 HydrophobicContact CB-CD1 4.16Å; L902-L943 HydrophobicContact CB-CG 4.42Å; L902-L943 HydrophobicContact CD2-CD1 4.42Å; L902-L970 HydrophobicContact CD1-CD1 4.37Å; L902-L970 HydrophobicContact CD1-CD2 4.47Å; L902-L970 HydrophobicContact CD2-CD1 4.19Å
903	T	96.2	Very high	93.2	Very high	36 Å²	36	48.3 Å²	48.3	22%	0.221	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.4	-177.6	-59.7	0	0	0	0	110.9	A878 E879 I905 S940	A878-T903 CarbonylContact C-O 3.6Å; A878-T903 VanDerWaalsContact CA-O 3.22Å; A878-T903 WeakPolarHBondContact CA-O 3.25Å; E879-T903 PolarHBondContact N-O 2.66Å; E879-T903 PolarHBondContact O-N 3.11Å; T903-I905 HydrophobicContact CG2-CG2 4.12Å; T903-I905 PolarHBondContact O-N 3.28Å; T903-S940 WeakPolarHBondContact CG2-OG 3.46Å; T903-S940 WeakPolarHBondContact OG1-CB 3.45Å; T903-S940 PolarHBondContact OG1-OG 3.28Å
904	N	94.9	Very high	93.3	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.2	173.8	-176	-9.3	0	0	0	111.2	Q877 G906 N908 F910 V935 K936 Q937 G938 N939	Q877-N904 PolarHBondContact O-OD1 2.9Å; N904-G906 PolarHBondContact OD1-N 3.42Å; N904-N908 PolarHBondContact ND2-O 2.8Å; N904-N908 PolarHBondContact OD1-O 2.82Å; N904-F910 HydrophobicContact CB-CD1 4.03Å; N904-F910 HydrophobicContact CB-CE1 3.46Å; N904-F910 VanDerWaalsContact CB-CE1 3.46Å; N904-F910 HydrophobicContact CB-CZ 4.05Å; N904-F910 VanDerWaalsContact CG-CD1 3.43Å; N904-F910 WeakPolarHBondContact ND2-CD1 3.31Å; N904-V935 HydrophobicContact CB-CB 4.24Å; N904-V935 HydrophobicContact CB-CG1 3.72Å; N904-V935 PolarHBondContact ND2-O 2.91Å; N904-K936 WeakPolarHBondContact CB-O 3.44Å; N904-K936 PolarHBondContact ND2-O 3.44Å; N904-Q937 PolarHBondContact ND2-N 3.24Å; N904-G938 WeakPolarHBondContact O-CA 3.46Å; N904-G938 PolarHBondContact O-N 3.37Å; N904-N939 PolarHBondContact N-O 2.91Å
905	I	92.6	Very high	93.1	Very high	85 Å²	85	45.9 Å²	45.9	44%	0.436	25%	0.246	S	C	.	.			trans	-99.5	1.6	178.6	61	166.1	0	0	0	112.7	Q877 E879 T903	Q877-I905 HydrophobicContact CB-CD1 4.33Å; Q877-I905 HydrophobicContact CB-CG1 3.85Å; Q877-I905 PolarHBondContact O-N 2.84Å; E879-I905 HydrophobicContact CB-CD1 4.29Å; E879-I905 HydrophobicContact CB-CG2 4.07Å; T903-I905 HydrophobicContact CG2-CG2 4.12Å; T903-I905 PolarHBondContact O-N 3.28Å
906	G	86.5	Confident	92.5	Very high	7 Å²	7	47.6 Å²	47.6	7%	0.072	25%	0.245	C	C	.	.	S	Bend	trans	-81.6	-179.1	-178.6	0	0	0	0	0	114.4	Q877 N904 Q937	Q877-G906 PolarHBondContact O-N 3.23Å; N904-G906 PolarHBondContact OD1-N 3.42Å; G906-Q937 PolarHBondContact O-NE2 3.09Å
907	L	85.3	Confident	91.3	Very high	101 Å²	101	54.8 Å²	54.8	53%	0.529	28%	0.277	S	S	.	.	S	Bend	trans	-85.7	-6.2	177.3	-62.9	-173.7	0	0	0	114.3	L873 Q937	L873-L907 HydrophobicContact CB-CD1 3.95Å; L873-L907 WeakPolarHBondContact O-CD1 3.4Å; L907-Q937 PolarHBondContact O-NE2 2.87Å
908	N	86.4	Confident	89.8	Confident	81 Å²	81	55.2 Å²	55.2	43%	0.433	29%	0.291	S	S	.	.	S	Bend	trans	-139.2	156.6	-173.2	-64.2	-54.2	0	0	0	111.1	S874 N904	S874-N908 PolarHBondContact O-ND2 2.9Å; N904-N908 PolarHBondContact ND2-O 2.8Å; N904-N908 PolarHBondContact OD1-O 2.82Å
909	D	92.1	Very high	87.9	Confident	88 Å²	88	60.1 Å²	60.1	47%	0.471	32%	0.323	S	S	.	.			trans	-57.7	143.8	162.4	-67.7	7.2	0	0	0	110.2	K936 Q937	D909-K936 WeakPolarHBondContact OD1-CA 3.29Å; D909-Q937 PolarHBondContact OD1-N 3.13Å
910	F	92.9	Very high	86	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.4	174.6	68	-117.9	0	0	0	112.9	P876 Q877 A878 L902 N904 F912 T934 V935 L972	P876-F910 HydrophobicContact CB-CB 3.83Å; P876-F910 HydrophobicContact CB-CD1 4.32Å; P876-F910 HydrophobicContact CB-CG 4.3Å; P876-F910 HydrophobicContact CG-CB 4.2Å; Q877-F910 WeakPolarHBondContact O-CE1 3.24Å; A878-F910 HydrophobicContact CB-CE1 3.64Å; A878-F910 HydrophobicContact CB-CZ 3.54Å; L902-F910 HydrophobicContact CD2-CE2 4Å; L902-F910 HydrophobicContact CD2-CZ 4.22Å; L902-F910 HydrophobicContact CG-CZ 4.26Å; N904-F910 HydrophobicContact CB-CD1 4.03Å; N904-F910 HydrophobicContact CB-CE1 3.46Å; N904-F910 VanDerWaalsContact CB-CE1 3.46Å; N904-F910 HydrophobicContact CB-CZ 4.05Å; N904-F910 VanDerWaalsContact CG-CD1 3.43Å; N904-F910 WeakPolarHBondContact ND2-CD1 3.31Å; F910-F912 HydrophobicContact CE2-CB 4.46Å; F910-F912 HydrophobicContact CE2-CD1 4.37Å; F910-T934 CarbonylContact O-C 3.6Å; F910-T934 WeakPolarHBondContact O-CA 3.32Å; F910-T934 WeakPolarHBondContact O-CG2 3.28Å; F910-V935 HydrophobicContact CD2-CB 4.22Å; F910-V935 HydrophobicContact CD2-CG2 4.36Å; F910-V935 HydrophobicContact CE2-CB 3.7Å; F910-V935 HydrophobicContact CE2-CG2 3.61Å; F910-V935 HydrophobicContact CZ-CB 3.87Å; F910-V935 HydrophobicContact CZ-CG1 4.43Å; F910-V935 HydrophobicContact CZ-CG2 4.05Å; F910-V935 PolarHBondContact N-O 3.43Å; F910-V935 PolarHBondContact O-N 3.48Å; F910-L972 HydrophobicContact CD2-CD2 3.76Å; F910-L972 HydrophobicContact CE2-CD2 3.54Å; F910-L972 HydrophobicContact CG-CD2 4.45Å; F910-L972 HydrophobicContact CZ-CD2 4.03Å
911	Q	94.6	Very high	84.9	Confident	102 Å²	102	62.6 Å²	62.6	48%	0.477	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.2	167.3	-57.1	-165.7	48.4	0	0	111.1	D933 T934 E973	Q911-D933 WeakPolarHBondContact CA-O 3.46Å; Q911-T934 HydrophobicContact CG-CG2 4.32Å; Q911-E973 HydrophobicContact CB-CB 4.24Å; Q911-E973 PolarHBondContact O-N 2.97Å
912	F	95.3	Very high	84.3	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.022	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.4	170.2	75.1	-84.7	0	0	0	111.4	L902 F910 F914 P930 C932 D933 V935 I941 L943 L970 Q971 L972	L902-F912 HydrophobicContact CD2-CB 4.31Å; L902-F912 HydrophobicContact CD2-CD1 3.6Å; L902-F912 HydrophobicContact CD2-CD2 4.29Å; L902-F912 HydrophobicContact CD2-CE1 3.93Å; L902-F912 HydrophobicContact CD2-CG 3.79Å; L902-F912 HydrophobicContact CD2-CZ 4.44Å; F910-F912 HydrophobicContact CE2-CB 4.46Å; F910-F912 HydrophobicContact CE2-CD1 4.37Å; F912-F914 HydrophobicContact CE2-CE2 4.19Å; F912-P930 HydrophobicContact CZ-CG 4.24Å; F912-C932 WeakPolarHBondContact O-CA 3.13Å; F912-C932 WeakPolarHBondContact O-CB 3.45Å; F912-D933 VanDerWaalsContact CD1-O 3.28Å; F912-D933 WeakPolarHBondContact CD1-O 3.47Å; F912-D933 HydrophobicContact CE1-CB 3.61Å; F912-D933 HydrophobicContact CZ-CB 3.84Å; F912-D933 PolarHBondContact N-O 2.6Å; F912-D933 PolarHBondContact O-N 2.97Å; F912-V935 HydrophobicContact CD1-CG2 3.86Å; F912-V935 HydrophobicContact CE1-CG2 3.83Å; F912-I941 HydrophobicContact CE1-CD1 4.29Å; F912-I941 HydrophobicContact CE1-CG2 4.02Å; F912-I941 HydrophobicContact CZ-CD1 4.38Å; F912-I941 HydrophobicContact CZ-CG2 4.38Å; F912-L943 HydrophobicContact CE1-CD2 4.42Å; F912-L943 HydrophobicContact CE2-CD1 4.17Å; F912-L943 HydrophobicContact CE2-CD2 3.83Å; F912-L943 HydrophobicContact CZ-CD1 4.5Å; F912-L943 HydrophobicContact CZ-CD2 3.49Å; F912-L943 VanDerWaalsContact CZ-CD2 3.49Å; F912-L970 HydrophobicContact CB-CD2 3.96Å; F912-L970 HydrophobicContact CB-CG 4.48Å; F912-L970 HydrophobicContact CD2-CD1 4.13Å; F912-L970 HydrophobicContact CD2-CD2 4.44Å; F912-L970 HydrophobicContact CD2-CG 4.09Å; F912-L970 HydrophobicContact CG-CD2 4.47Å; F912-Q971 CarbonylContact C-O 3.59Å; F912-Q971 VanDerWaalsContact CA-O 3.25Å; F912-Q971 WeakPolarHBondContact CA-O 3.14Å; F912-L972 HydrophobicContact CB-CD2 3.8Å
913	K	94.2	Very high	83.8	Confident	82 Å²	82	63.3 Å²	63.3	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	147.2	173	68.5	-161.1	178.8	-159.8	0	110.2	S931 C932 Q971	K913-S931 WeakPolarHBondContact CA-O 3.5Å; K913-C932 HydrophobicContact CB-CB 3.88Å; K913-Q971 HydrophobicContact CG-CB 4.25Å; K913-Q971 PolarHBondContact N-O 3.07Å; K913-Q971 PolarHBondContact O-N 3Å
914	F	93.1	Very high	83.4	Confident	11 Å²	11	67.9 Å²	67.9	5%	0.048	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.8	164.5	-72.8	-90.7	0	0	0	110.3	F912 F922 V928 S931 L943 F945 V968 V969 L970 I980	F912-F914 HydrophobicContact CE2-CE2 4.19Å; F914-F922 HydrophobicContact CB-CE1 4.11Å; F914-F922 HydrophobicContact CB-CZ 3.69Å; F914-F922 HydrophobicContact CD1-CE1 4.42Å; F914-F922 AromaticContact CD1-CZ 3.98Å; F914-F922 HydrophobicContact CD1-CZ 3.98Å; F914-F922 AromaticContact CG-CZ 3.93Å; F914-F922 HydrophobicContact CG-CZ 3.93Å; F914-V928 HydrophobicContact CD2-CG1 4.23Å; F914-V928 HydrophobicContact CE1-CG1 4.38Å; F914-V928 HydrophobicContact CE2-CG1 3.65Å; F914-V928 HydrophobicContact CZ-CG1 3.73Å; F914-S931 PolarHBondContact N-O 3.4Å; F914-L943 HydrophobicContact CE2-CD1 4.03Å; F914-L943 HydrophobicContact CZ-CD1 3.93Å; F914-F945 HydrophobicContact CE1-CE1 4.38Å; F914-F945 HydrophobicContact CE1-CZ 4.04Å; F914-F945 HydrophobicContact CZ-CE1 4.44Å; F914-F945 AromaticContact CZ-CZ 3.76Å; F914-F945 HydrophobicContact CZ-CZ 3.76Å; F914-V968 HydrophobicContact CD1-CB 4.25Å; F914-V968 HydrophobicContact CD1-CG2 4Å; F914-V968 HydrophobicContact CE1-CB 4.49Å; F914-V968 HydrophobicContact CE1-CG2 3.75Å; F914-V969 WeakPolarHBondContact CA-O 3.43Å; F914-L970 HydrophobicContact CD1-CB 4.14Å; F914-L970 HydrophobicContact CE1-CB 3.82Å; F914-L970 HydrophobicContact CE1-CD1 4.27Å; F914-L970 HydrophobicContact CE1-CG 4.38Å; F914-L970 HydrophobicContact CE2-CD1 4.21Å; F914-L970 HydrophobicContact CZ-CB 4.19Å; F914-L970 HydrophobicContact CZ-CD1 3.79Å; F914-L970 HydrophobicContact CZ-CG 4.27Å; F914-I980 HydrophobicContact CE1-CD1 4.07Å; F914-I980 HydrophobicContact CZ-CD1 4.42Å
915	L	87.8	Confident	83.2	Confident	57 Å²	57	68.2 Å²	68.2	30%	0.298	37%	0.368	S	S	.	.			trans	-66.8	143.6	166.8	-59.8	-177.8	0	0	0	109.1	G920 F922 V969 Q971	L915-G920 CarbonylContact C-O 3.55Å; L915-F922 WeakPolarHBondContact O-CE1 3.3Å; L915-V969 HydrophobicContact CB-CB 4.39Å; L915-V969 HydrophobicContact CD1-CB 4.02Å; L915-V969 HydrophobicContact CD1-CG1 3.88Å; L915-V969 HydrophobicContact CG-CB 4.29Å; L915-V969 HydrophobicContact CG-CG1 4.36Å; L915-V969 PolarHBondContact N-O 2.83Å; L915-Q971 HydrophobicContact CD2-CB 4.43Å
916	R	78.8	Confident	83.3	Confident	137 Å²	137	64.5 Å²	64.5	52%	0.517	35%	0.349	S	S	.	.			trans	-128.1	6.3	179.3	-67.6	-174.9	-179.6	-109.4	10.1	113.6	G920 S931	R916-G920 WeakPolarHBondContact CA-O 3.43Å; R916-S931 PolarHBondContact NH2-OG 2.91Å; R916-S931 VanDerWaalsContact NH2-OG 3.09Å
917	E	70	Confident	83.6	Confident	170 Å²	170	67.4 Å²	67.4	79%	0.794	37%	0.365	S	S	*	.	S	Bend	trans	-124.1	155.3	-175.7	-67	-173.2	-178	0	0	112	V919 G920	E917-V919 PolarHBondContact O-N 3.07Å; E917-G920 PolarHBondContact O-N 3.01Å
918	G	65	Low	84	Confident	68 Å²	68	62.6 Å²	62.6	70%	0.701	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	58.6	-128.4	-180	0	0	0	0	0	112.2	G920 S921	G918-G920 PolarHBondContact O-N 3.14Å; G918-S921 WeakPolarHBondContact O-CB 3.37Å; G918-S921 PolarHBondContact O-N 2.79Å; G918-S921 VanDerWaalsContact O-N 3.14Å
919	V	55.1	Low	84.3	Confident	152 Å²	152	62.3 Å²	62.3	92%	0.921	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-65.9	-14	178	-113	0	0	0	0	113.8	E917	E917-V919 PolarHBondContact O-N 3.07Å
920	G	56.3	Low	84.4	Confident	4 Å²	4	60.1 Å²	60.1	4%	0.041	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-96.1	9.8	173.8	0	0	0	0	0	114.2	L915 R916 E917 G918 F922	L915-G920 CarbonylContact C-O 3.55Å; R916-G920 WeakPolarHBondContact CA-O 3.43Å; E917-G920 PolarHBondContact O-N 3.01Å; G918-G920 PolarHBondContact O-N 3.14Å; G920-F922 WeakPolarHBondContact O-CD1 3.39Å; G920-F922 PolarHBondContact O-N 3.08Å
921	S	72.9	Confident	84.3	Confident	75 Å²	75	61.4 Å²	61.4	52%	0.524	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62	122.7	177	-174.9	0	0	0	0	110.9	G918	G918-S921 WeakPolarHBondContact O-CB 3.37Å; G918-S921 PolarHBondContact O-N 2.79Å; G918-S921 VanDerWaalsContact O-N 3.14Å
922	F	83.4	Confident	84.2	Confident	26 Å²	26	60.3 Å²	60.3	11%	0.114	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.8	141.5	174.6	-71.8	17.6	0	0	0	110	F914 L915 G920 L926 V928 V968	F914-F922 HydrophobicContact CB-CE1 4.11Å; F914-F922 HydrophobicContact CB-CZ 3.69Å; F914-F922 HydrophobicContact CD1-CE1 4.42Å; F914-F922 AromaticContact CD1-CZ 3.98Å; F914-F922 HydrophobicContact CD1-CZ 3.98Å; F914-F922 AromaticContact CG-CZ 3.93Å; F914-F922 HydrophobicContact CG-CZ 3.93Å; L915-F922 WeakPolarHBondContact O-CE1 3.3Å; G920-F922 WeakPolarHBondContact O-CD1 3.39Å; G920-F922 PolarHBondContact O-N 3.08Å; F922-L926 HydrophobicContact CD2-CD2 4.4Å; F922-L926 HydrophobicContact CD2-CG 4.47Å; F922-L926 HydrophobicContact CG-CD2 4.48Å; F922-V928 HydrophobicContact CD2-CG2 4.37Å; F922-V928 HydrophobicContact CE2-CB 3.82Å; F922-V928 HydrophobicContact CE2-CG2 3.52Å; F922-V928 HydrophobicContact CZ-CB 4.28Å; F922-V928 HydrophobicContact CZ-CG2 3.97Å; F922-V968 HydrophobicContact CD1-CB 4.5Å; F922-V968 HydrophobicContact CD1-CG1 3.77Å; F922-V968 HydrophobicContact CE1-CB 3.86Å; F922-V968 HydrophobicContact CE1-CG1 3.54Å; F922-V968 HydrophobicContact CG-CG1 4.48Å; F922-V968 HydrophobicContact CZ-CB 4.37Å; F922-V968 HydrophobicContact CZ-CG1 4.08Å
923	P	87.5	Confident	84.2	Confident	31 Å²	31	63.8 Å²	63.8	20%	0.201	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.3	156.2	166.2	30.6	-33.1	0	0	0	110.5	W925 L926 T966	P923-W925 HydrophobicContact CB-CD2 4.09Å; P923-W925 HydrophobicContact CB-CG 4.21Å; P923-W925 HydrophobicContact CB-CZ2 4.14Å; P923-W925 HydrophobicContact CG-CD2 3.76Å; P923-W925 HydrophobicContact CG-CE3 4.16Å; P923-W925 HydrophobicContact CG-CG 4.36Å; P923-W925 HydrophobicContact CG-CH2 3.95Å; P923-W925 HydrophobicContact CG-CZ2 3.49Å; P923-W925 VanDerWaalsContact CG-CZ2 3.49Å; P923-W925 HydrophobicContact CG-CZ3 4.25Å; P923-W925 PolarHBondContact O-N 3.36Å; P923-L926 HydrophobicContact CG-CB 3.86Å; P923-L926 PolarHBondContact O-N 2.93Å; P923-T966 HydrophobicContact CG-CG2 4.08Å
924	L	86	Confident	84.3	Confident	133 Å²	133	63 Å²	63	70%	0.696	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.3	-174.1	-61.3	172.7	0	0	0	112.6	L926 E953	L924-L926 PolarHBondContact O-N 3.31Å; L924-E953 WeakPolarHBondContact CB-OE1 3.5Å; L924-E953 PolarHBondContact N-OE1 3.07Å
925	W	92.4	Very high	84.4	Confident	9 Å²	9	62.7 Å²	62.7	3%	0.034	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	172.2	57.2	-107.5	0	0	0	115.2	P923 I947 F948 E953 L964 T966 I982	P923-W925 HydrophobicContact CB-CD2 4.09Å; P923-W925 HydrophobicContact CB-CG 4.21Å; P923-W925 HydrophobicContact CB-CZ2 4.14Å; P923-W925 HydrophobicContact CG-CD2 3.76Å; P923-W925 HydrophobicContact CG-CE3 4.16Å; P923-W925 HydrophobicContact CG-CG 4.36Å; P923-W925 HydrophobicContact CG-CH2 3.95Å; P923-W925 HydrophobicContact CG-CZ2 3.49Å; P923-W925 VanDerWaalsContact CG-CZ2 3.49Å; P923-W925 HydrophobicContact CG-CZ3 4.25Å; P923-W925 PolarHBondContact O-N 3.36Å; W925-I947 HydrophobicContact CE3-CB 4.41Å; W925-I947 HydrophobicContact CE3-CD1 4.09Å; W925-I947 HydrophobicContact CE3-CG1 3.9Å; W925-I947 HydrophobicContact CE3-CG2 3.91Å; W925-I947 HydrophobicContact CZ3-CD1 3.68Å; W925-I947 HydrophobicContact CZ3-CG1 3.87Å; W925-I947 VanDerWaalsContact O-CA 3.29Å; W925-I947 WeakPolarHBondContact O-CA 3.38Å; W925-F948 PolarHBondContact O-N 3.39Å; W925-E953 PolarHBondContact N-OE1 3.49Å; W925-E953 PolarHBondContact N-OE2 2.89Å; W925-L964 HydrophobicContact CB-CD2 4.33Å; W925-L964 HydrophobicContact CD2-CD2 3.57Å; W925-L964 HydrophobicContact CE3-CD2 4.16Å; W925-L964 HydrophobicContact CG-CD2 3.65Å; W925-L964 HydrophobicContact CH2-CB 4.44Å; W925-L964 HydrophobicContact CZ2-CB 4.32Å; W925-L964 HydrophobicContact CZ2-CD2 4.24Å; W925-T966 HydrophobicContact CH2-CG2 3.78Å; W925-T966 HydrophobicContact CZ2-CG2 4.28Å; W925-I982 HydrophobicContact CH2-CG2 4.26Å; W925-I982 HydrophobicContact CZ3-CG2 4.1Å
926	L	93.3	Very high	84.7	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.8	-174.6	-178.8	65.5	0	0	0	113.7	F922 P923 L924 V928 I947 T966 V968 I982	F922-L926 HydrophobicContact CD2-CD2 4.4Å; F922-L926 HydrophobicContact CD2-CG 4.47Å; F922-L926 HydrophobicContact CG-CD2 4.48Å; P923-L926 HydrophobicContact CG-CB 3.86Å; P923-L926 PolarHBondContact O-N 2.93Å; L924-L926 PolarHBondContact O-N 3.31Å; L926-V928 HydrophobicContact CD1-CG2 4.35Å; L926-V928 HydrophobicContact CD2-CG2 4.44Å; L926-V928 HydrophobicContact CG-CG2 4.26Å; L926-I947 HydrophobicContact CD1-CG1 4.32Å; L926-T966 HydrophobicContact CD2-CG2 3.92Å; L926-V968 HydrophobicContact CD2-CG1 3.71Å; L926-I982 HydrophobicContact CD1-CD1 3.99Å; L926-I982 HydrophobicContact CD2-CD1 3.45Å; L926-I982 VanDerWaalsContact CD2-CD1 3.45Å; L926-I982 HydrophobicContact CG-CD1 4.38Å
927	T	92.6	Very high	85.3	Confident	67 Å²	67	64.3 Å²	64.3	41%	0.411	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.1	167.2	-64.1	0	0	0	0	110.9	Q946	T927-Q946 PolarHBondContact N-O 3.36Å; T927-Q946 PolarHBondContact O-N 2.87Å
928	V	93.7	Very high	86.3	Confident	1 Å²	1	59 Å²	59	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130	177	-173	0	0	0	0	110.4	F914 F922 L926 E944 F945	F914-V928 HydrophobicContact CD2-CG1 4.23Å; F914-V928 HydrophobicContact CE1-CG1 4.38Å; F914-V928 HydrophobicContact CE2-CG1 3.65Å; F914-V928 HydrophobicContact CZ-CG1 3.73Å; F922-V928 HydrophobicContact CD2-CG2 4.37Å; F922-V928 HydrophobicContact CE2-CB 3.82Å; F922-V928 HydrophobicContact CE2-CG2 3.52Å; F922-V928 HydrophobicContact CZ-CB 4.28Å; F922-V928 HydrophobicContact CZ-CG2 3.97Å; L926-V928 HydrophobicContact CD1-CG2 4.35Å; L926-V928 HydrophobicContact CD2-CG2 4.44Å; L926-V928 HydrophobicContact CG-CG2 4.26Å; V928-E944 CarbonylContact C-O 3.58Å; V928-E944 VanDerWaalsContact CA-O 3.29Å; V928-E944 WeakPolarHBondContact CA-O 3.44Å; V928-F945 HydrophobicContact CB-CD1 4.38Å; V928-F945 HydrophobicContact CB-CE1 4.42Å; V928-F945 HydrophobicContact CG1-CD1 4.06Å; V928-F945 HydrophobicContact CG1-CD2 4.08Å; V928-F945 HydrophobicContact CG1-CE1 3.84Å; V928-F945 HydrophobicContact CG1-CE2 3.84Å; V928-F945 HydrophobicContact CG1-CG 4.17Å; V928-F945 HydrophobicContact CG1-CZ 3.72Å; V928-F945 HydrophobicContact CG2-CD1 3.43Å; V928-F945 VanDerWaalsContact CG2-CD1 3.43Å; V928-F945 HydrophobicContact CG2-CE1 3.62Å; V928-F945 HydrophobicContact CG2-CG 4.06Å; V928-F945 HydrophobicContact CG2-CZ 4.36Å
929	N	93.1	Very high	87.7	Confident	75 Å²	75	60.1 Å²	60.1	40%	0.401	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.7	-174.9	-67.9	-48.7	0	0	0	111.8	E944	N929-E944 PolarHBondContact N-O 2.83Å; N929-E944 PolarHBondContact O-N 2.89Å
930	P	94.7	Very high	89.7	Confident	41 Å²	41	56.3 Å²	56.3	27%	0.266	33%	0.333	S	S	.	.	S	Bend	cis	-69	146	-17.1	30.4	-34.3	0	0	0	111.1	F912 C932 D933 I941 L943	F912-P930 HydrophobicContact CZ-CG 4.24Å; P930-C932 VanDerWaalsContact C-N 3.32Å; P930-D933 HydrophobicContact CG-CB 4.22Å; P930-I941 HydrophobicContact CG-CD1 3.85Å; P930-L943 HydrophobicContact CG-CD2 4.14Å
931	S	90.1	Very high	91.6	Very high	36 Å²	36	57.7 Å²	57.7	25%	0.252	34%	0.339	S	S	.	.	S	Bend	trans	-82.1	-9.2	178.6	64.3	0	0	0	0	114.7	K913 F914 R916	K913-S931 WeakPolarHBondContact CA-O 3.5Å; F914-S931 PolarHBondContact N-O 3.4Å; R916-S931 PolarHBondContact NH2-OG 2.91Å; R916-S931 VanDerWaalsContact NH2-OG 3.09Å
932	C	93.8	Very high	92.7	Very high	78 Å²	78	60.9 Å²	60.9	53%	0.527	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	145	166.5	50.2	0	0	0	0	109.5	F912 K913 P930	F912-C932 WeakPolarHBondContact O-CA 3.13Å; F912-C932 WeakPolarHBondContact O-CB 3.45Å; K913-C932 HydrophobicContact CB-CB 3.88Å; P930-C932 VanDerWaalsContact C-N 3.32Å
933	D	95.5	Very high	93.3	Very high	78 Å²	78	59.6 Å²	59.6	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	176.1	174.1	-148.2	-22.8	0	0	0	111.2	Q911 F912 P930 I941	Q911-D933 WeakPolarHBondContact CA-O 3.46Å; F912-D933 VanDerWaalsContact CD1-O 3.28Å; F912-D933 WeakPolarHBondContact CD1-O 3.47Å; F912-D933 HydrophobicContact CE1-CB 3.61Å; F912-D933 HydrophobicContact CZ-CB 3.84Å; F912-D933 PolarHBondContact N-O 2.6Å; F912-D933 PolarHBondContact O-N 2.97Å; P930-D933 HydrophobicContact CG-CB 4.22Å; D933-I941 HydrophobicContact CB-CD1 3.81Å; D933-I941 WeakPolarHBondContact OD2-CD1 3.46Å
934	T	95	Very high	93.8	Very high	66 Å²	66	62 Å²	62	41%	0.405	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.9	174	-53.3	0	0	0	0	111.1	F910 Q911	F910-T934 CarbonylContact O-C 3.6Å; F910-T934 WeakPolarHBondContact O-CA 3.32Å; F910-T934 WeakPolarHBondContact O-CG2 3.28Å; Q911-T934 HydrophobicContact CG-CG2 4.32Å
935	V	94.9	Very high	94.3	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.9	176.8	-166.1	0	0	0	0	109.9	L902 N904 F910 F912 N939 I941	L902-V935 HydrophobicContact CD2-CG2 4.09Å; N904-V935 HydrophobicContact CB-CB 4.24Å; N904-V935 HydrophobicContact CB-CG1 3.72Å; N904-V935 PolarHBondContact ND2-O 2.91Å; F910-V935 HydrophobicContact CD2-CB 4.22Å; F910-V935 HydrophobicContact CD2-CG2 4.36Å; F910-V935 HydrophobicContact CE2-CB 3.7Å; F910-V935 HydrophobicContact CE2-CG2 3.61Å; F910-V935 HydrophobicContact CZ-CB 3.87Å; F910-V935 HydrophobicContact CZ-CG1 4.43Å; F910-V935 HydrophobicContact CZ-CG2 4.05Å; F910-V935 PolarHBondContact N-O 3.43Å; F910-V935 PolarHBondContact O-N 3.48Å; F912-V935 HydrophobicContact CD1-CG2 3.86Å; F912-V935 HydrophobicContact CE1-CG2 3.83Å; V935-N939 WeakPolarHBondContact CG1-O 3.32Å; V935-I941 HydrophobicContact CG2-CB 4.26Å; V935-I941 HydrophobicContact CG2-CG2 3.55Å
936	K	94.1	Very high	94.4	Very high	123 Å²	123	57.3 Å²	57.3	54%	0.535	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-70.4	153.8	179.2	-59.7	-164.3	173.4	-174	0	112.7	N904 D909 G938 N939	N904-K936 WeakPolarHBondContact CB-O 3.44Å; N904-K936 PolarHBondContact ND2-O 3.44Å; D909-K936 WeakPolarHBondContact OD1-CA 3.29Å; K936-G938 PolarHBondContact O-N 2.58Å; K936-N939 HydrophobicContact CB-CB 4.31Å; K936-N939 WeakPolarHBondContact O-CB 3.41Å; K936-N939 PolarHBondContact O-N 2.92Å
937	Q	91.8	Very high	94.6	Very high	105 Å²	105	57 Å²	57	49%	0.491	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	126.5	174.8	-178.9	177.6	36.2	0	0	111.5	N904 G906 L907 D909 N939	N904-Q937 PolarHBondContact ND2-N 3.24Å; G906-Q937 PolarHBondContact O-NE2 3.09Å; L907-Q937 PolarHBondContact O-NE2 2.87Å; D909-Q937 PolarHBondContact OD1-N 3.13Å; Q937-N939 PolarHBondContact O-N 3.05Å
938	G	90.8	Very high	94.7	Very high	60 Å²	60	57.1 Å²	57.1	62%	0.619	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-0.9	178.4	0	0	0	0	0	115.7	N904 K936	N904-G938 WeakPolarHBondContact O-CA 3.46Å; N904-G938 PolarHBondContact O-N 3.37Å; K936-G938 PolarHBondContact O-N 2.58Å
939	N	95.1	Very high	94.7	Very high	91 Å²	91	57 Å²	57	49%	0.487	31%	0.314	S	S	.	.			trans	-92.7	159.1	174	-76.6	4.6	0	0	0	111.7	N904 V935 K936 Q937	N904-N939 PolarHBondContact N-O 2.91Å; V935-N939 WeakPolarHBondContact CG1-O 3.32Å; K936-N939 HydrophobicContact CB-CB 4.31Å; K936-N939 WeakPolarHBondContact O-CB 3.41Å; K936-N939 PolarHBondContact O-N 2.92Å; Q937-N939 PolarHBondContact O-N 3.05Å
940	S	96.3	Very high	94.4	Very high	72 Å²	72	55 Å²	55	50%	0.503	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.4	170	-51.4	0	0	0	0	110.9	L902 T903	L902-S940 CarbonylContact O-C 3.59Å; L902-S940 WeakPolarHBondContact O-CA 3.31Å; T903-S940 WeakPolarHBondContact CG2-OG 3.46Å; T903-S940 WeakPolarHBondContact OG1-CB 3.45Å; T903-S940 PolarHBondContact OG1-OG 3.28Å
941	I	96.1	Very high	94.1	Very high	33 Å²	33	58 Å²	58	17%	0.169	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.4	169.1	-167.2	168.9	0	0	0	109.8	L902 F912 P930 D933 V935 L943	L902-I941 HydrophobicContact CB-CG2 3.87Å; L902-I941 HydrophobicContact CD2-CG2 4.1Å; L902-I941 HydrophobicContact CG-CG2 4.4Å; L902-I941 PolarHBondContact N-O 3.24Å; L902-I941 PolarHBondContact O-N 3.49Å; F912-I941 HydrophobicContact CE1-CD1 4.29Å; F912-I941 HydrophobicContact CE1-CG2 4.02Å; F912-I941 HydrophobicContact CZ-CD1 4.38Å; F912-I941 HydrophobicContact CZ-CG2 4.38Å; P930-I941 HydrophobicContact CG-CD1 3.85Å; D933-I941 HydrophobicContact CB-CD1 3.81Å; D933-I941 WeakPolarHBondContact OD2-CD1 3.46Å; V935-I941 HydrophobicContact CG2-CB 4.26Å; V935-I941 HydrophobicContact CG2-CG2 3.55Å; I941-L943 HydrophobicContact CG1-CD2 4.38Å; I941-L943 HydrophobicContact CG2-CD2 3.94Å
942	K	96.8	Very high	93.8	Very high	141 Å²	141	62.9 Å²	62.9	61%	0.613	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	122.2	175.9	-173.1	178.5	179.1	-175.9	0	108.9	S899	S899-K942 WeakPolarHBondContact OG-CE 3.38Å; S899-K942 PolarHBondContact OG-NZ 2.81Å
943	L	96.6	Very high	93.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.6	176.6	-50.3	-176.1	0	0	0	108.3	S899 L900 L902 F912 F914 P930 I941 F945 L970	S899-L943 CarbonylContact C-O 3.51Å; S899-L943 WeakPolarHBondContact CA-O 3.31Å; S899-L943 WeakPolarHBondContact CB-O 3.47Å; L900-L943 HydrophobicContact CD1-CB 3.95Å; L900-L943 HydrophobicContact CD1-CD1 3.9Å; L900-L943 HydrophobicContact CD1-CG 4.09Å; L900-L943 PolarHBondContact N-O 3.34Å; L900-L943 PolarHBondContact O-N 3.01Å; L902-L943 HydrophobicContact CB-CD1 4.16Å; L902-L943 HydrophobicContact CB-CG 4.42Å; L902-L943 HydrophobicContact CD2-CD1 4.42Å; F912-L943 HydrophobicContact CE1-CD2 4.42Å; F912-L943 HydrophobicContact CE2-CD1 4.17Å; F912-L943 HydrophobicContact CE2-CD2 3.83Å; F912-L943 HydrophobicContact CZ-CD1 4.5Å; F912-L943 HydrophobicContact CZ-CD2 3.49Å; F912-L943 VanDerWaalsContact CZ-CD2 3.49Å; F914-L943 HydrophobicContact CE2-CD1 4.03Å; F914-L943 HydrophobicContact CZ-CD1 3.93Å; P930-L943 HydrophobicContact CG-CD2 4.14Å; I941-L943 HydrophobicContact CG1-CD2 4.38Å; I941-L943 HydrophobicContact CG2-CD2 3.94Å; L943-F945 HydrophobicContact CB-CE2 3.82Å; L943-L970 HydrophobicContact CD1-CD1 3.52Å
944	E	96.7	Very high	93.5	Very high	80 Å²	80	56.2 Å²	56.2	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134	-179.2	-168.9	179.7	172.1	0	0	110.7	V928 N929 Q946	V928-E944 CarbonylContact C-O 3.58Å; V928-E944 VanDerWaalsContact CA-O 3.29Å; V928-E944 WeakPolarHBondContact CA-O 3.44Å; N929-E944 PolarHBondContact N-O 2.83Å; N929-E944 PolarHBondContact O-N 2.89Å; E944-Q946 HydrophobicContact CG-CG 4.22Å; E944-Q946 PolarHBondContact OE1-NE2 3.27Å
945	F	96.4	Very high	93.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.4	-176.9	-70.6	-112.2	0	0	0	107.9	L885 F887 S897 Q898 L900 F914 V928 L943 V968 I980 I982	L885-F945 HydrophobicContact CD1-CB 3.9Å; L885-F945 HydrophobicContact CD1-CD1 3.7Å; L885-F945 HydrophobicContact CD1-CD2 3.63Å; L885-F945 HydrophobicContact CD1-CE1 4.08Å; L885-F945 HydrophobicContact CD1-CE2 4.04Å; L885-F945 HydrophobicContact CD1-CG 3.47Å; L885-F945 VanDerWaalsContact CD1-CG 3.47Å; L885-F945 HydrophobicContact CD1-CZ 4.25Å; F887-F945 WeakPolarHBondContact CE1-O 3.43Å; F887-F945 HydrophobicContact CE2-CB 4.5Å; F887-F945 HydrophobicContact CZ-CB 3.82Å; F887-F945 WeakPolarHBondContact CZ-O 3.04Å; S897-F945 WeakPolarHBondContact CA-O 3.38Å; Q898-F945 PolarHBondContact N-O 3.27Å; Q898-F945 PolarHBondContact O-N 3.5Å; L900-F945 HydrophobicContact CD1-CE2 4.3Å; L900-F945 HydrophobicContact CD2-CE2 3.93Å; L900-F945 HydrophobicContact CD2-CZ 4.07Å; L900-F945 HydrophobicContact CG-CD2 4.47Å; L900-F945 HydrophobicContact CG-CE2 3.73Å; L900-F945 HydrophobicContact CG-CZ 4.35Å; F914-F945 HydrophobicContact CE1-CE1 4.38Å; F914-F945 HydrophobicContact CE1-CZ 4.04Å; F914-F945 HydrophobicContact CZ-CE1 4.44Å; F914-F945 AromaticContact CZ-CZ 3.76Å; F914-F945 HydrophobicContact CZ-CZ 3.76Å; V928-F945 HydrophobicContact CB-CD1 4.38Å; V928-F945 HydrophobicContact CB-CE1 4.42Å; V928-F945 HydrophobicContact CG1-CD1 4.06Å; V928-F945 HydrophobicContact CG1-CD2 4.08Å; V928-F945 HydrophobicContact CG1-CE1 3.84Å; V928-F945 HydrophobicContact CG1-CE2 3.84Å; V928-F945 HydrophobicContact CG1-CG 4.17Å; V928-F945 HydrophobicContact CG1-CZ 3.72Å; V928-F945 HydrophobicContact CG2-CD1 3.43Å; V928-F945 VanDerWaalsContact CG2-CD1 3.43Å; V928-F945 HydrophobicContact CG2-CE1 3.62Å; V928-F945 HydrophobicContact CG2-CG 4.06Å; V928-F945 HydrophobicContact CG2-CZ 4.36Å; L943-F945 HydrophobicContact CB-CE2 3.82Å; F945-V968 HydrophobicContact CE1-CG2 3.92Å; F945-I980 HydrophobicContact CE1-CG2 4.28Å; F945-I980 HydrophobicContact CZ-CD1 4.24Å; F945-I980 HydrophobicContact CZ-CG2 4.34Å; F945-I982 HydrophobicContact CD1-CD1 3.62Å; F945-I982 HydrophobicContact CD1-CG1 4.31Å; F945-I982 HydrophobicContact CE1-CD1 3.82Å
946	Q	96.3	Very high	93.2	Very high	45 Å²	45	55.9 Å²	55.9	21%	0.21	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.3	-173.3	-63	-177.1	-19.8	0	0	109.9	L895 C896 T927 E944	L895-Q946 HydrophobicContact CD1-CB 4.08Å; C896-Q946 WeakPolarHBondContact O-CA 3.41Å; T927-Q946 PolarHBondContact N-O 3.36Å; T927-Q946 PolarHBondContact O-N 2.87Å; E944-Q946 HydrophobicContact CG-CG 4.22Å; E944-Q946 PolarHBondContact OE1-NE2 3.27Å
947	I	95.7	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	172.9	-60.8	-176.1	0	0	0	108.7	F887 V890 C896 W925 L926 L964 I982 A984	F887-I947 HydrophobicContact CB-CD1 4.07Å; F887-I947 HydrophobicContact CD1-CB 4.34Å; F887-I947 HydrophobicContact CD1-CD1 3.77Å; F887-I947 HydrophobicContact CD1-CG1 3.93Å; F887-I947 HydrophobicContact CD2-CD1 3.61Å; F887-I947 HydrophobicContact CD2-CG1 4.36Å; F887-I947 HydrophobicContact CE1-CB 4.35Å; F887-I947 HydrophobicContact CE1-CD1 4.04Å; F887-I947 HydrophobicContact CE1-CG1 3.78Å; F887-I947 HydrophobicContact CE2-CD1 3.9Å; F887-I947 HydrophobicContact CE2-CG1 4.24Å; F887-I947 HydrophobicContact CG-CD1 3.55Å; F887-I947 HydrophobicContact CG-CG1 4.22Å; F887-I947 HydrophobicContact CZ-CD1 4.1Å; F887-I947 HydrophobicContact CZ-CG1 3.95Å; V890-I947 HydrophobicContact CG1-CG2 3.92Å; V890-I947 HydrophobicContact CG2-CG2 4.35Å; C896-I947 PolarHBondContact N-O 2.81Å; C896-I947 PolarHBondContact O-N 2.69Å; W925-I947 HydrophobicContact CE3-CB 4.41Å; W925-I947 HydrophobicContact CE3-CD1 4.09Å; W925-I947 HydrophobicContact CE3-CG1 3.9Å; W925-I947 HydrophobicContact CE3-CG2 3.91Å; W925-I947 HydrophobicContact CZ3-CD1 3.68Å; W925-I947 HydrophobicContact CZ3-CG1 3.87Å; W925-I947 VanDerWaalsContact O-CA 3.29Å; W925-I947 WeakPolarHBondContact O-CA 3.38Å; L926-I947 HydrophobicContact CD1-CG1 4.32Å; I947-L964 HydrophobicContact CG2-CD1 4.47Å; I947-I982 HydrophobicContact CD1-CG2 4.1Å; I947-A984 HydrophobicContact CD1-CB 4.08Å
948	F	94.4	Very high	93.2	Very high	70 Å²	70	45.5 Å²	45.5	31%	0.307	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	109.1	173.7	-178.7	-98.1	0	0	0	110.9	H893 E894 L895 W925 N950	H893-F948 AromaticContact CD2-CZ 3.96Å; H893-F948 AromaticContact CE1-CZ 3.96Å; H893-F948 AromaticContact CG-CZ 3.9Å; H893-F948 AromaticContact ND1-CZ 3.9Å; H893-F948 AromaticContact NE2-CZ 4Å; E894-F948 WeakPolarHBondContact O-CD2 3.48Å; L895-F948 HydrophobicContact CB-CD2 4.24Å; L895-F948 HydrophobicContact CD1-CB 4.01Å; L895-F948 HydrophobicContact CD1-CD2 4.47Å; W925-F948 PolarHBondContact O-N 3.39Å; F948-N950 HydrophobicContact CD1-CB 4.22Å; F948-N950 HydrophobicContact CE1-CB 4.01Å; F948-N950 PolarHBondContact O-N 2.95Å
949	V	93.6	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-80.8	108.7	178.8	-179.4	0	0	0	0	110.1	V890 F892 H893 V954 L957 L964 F986	V890-V949 HydrophobicContact CG1-CG2 3.99Å; F892-V949 HydrophobicContact CD2-CG1 4.2Å; F892-V949 WeakPolarHBondContact CD2-O 3.39Å; H893-V949 PolarHBondContact N-O 3.43Å; V949-V954 HydrophobicContact CG1-CB 4.4Å; V949-L957 HydrophobicContact CB-CD1 4.25Å; V949-L957 HydrophobicContact CG1-CD1 3.37Å; V949-L957 HydrophobicContact CG2-CD1 3.79Å; V949-L964 HydrophobicContact CG2-CD1 4.18Å; V949-L964 HydrophobicContact CG2-CD2 4.06Å; V949-F986 HydrophobicContact CB-CE2 4.2Å; V949-F986 HydrophobicContact CG1-CE2 3.88Å; V949-F986 HydrophobicContact CG1-CZ 4.47Å; V949-F986 HydrophobicContact CG2-CD2 4.05Å; V949-F986 HydrophobicContact CG2-CE2 4.06Å
950	N	88.4	Confident	92.8	Very high	31 Å²	31	40.3 Å²	40.3	17%	0.166	20%	0.201	C	C	.	.			trans	-93.5	172.3	178.5	68.8	77.8	0	0	0	112.8	F948 K952 E953 V954	F948-N950 HydrophobicContact CD1-CB 4.22Å; F948-N950 HydrophobicContact CE1-CB 4.01Å; F948-N950 PolarHBondContact O-N 2.95Å; N950-K952 PolarHBondContact O-N 3.46Å; N950-K952 WeakPolarHBondContact OD1-CB 3.45Å; N950-K952 PolarHBondContact OD1-N 3.43Å; N950-E953 PolarHBondContact ND2-OE2 3.26Å; N950-E953 PolarHBondContact O-N 3.49Å; N950-E953 VanDerWaalsContact O-N 3.09Å; N950-V954 PolarHBondContact O-N 2.91Å
951	Y	87.4	Confident	92.4	Very high	105 Å²	105	41.1 Å²	41.1	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17	-173.7	71.9	-84.6	0	0	0	115.6	N1108	Y951-N1108 VanDerWaalsContact CD2-ND2 3.29Å; Y951-N1108 WeakPolarHBondContact CD2-ND2 3.42Å
952	K	85	Confident	92.1	Very high	139 Å²	139	42.6 Å²	42.6	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.2	178.2	-57.5	176	-177	172.3	0	113	N950	N950-K952 PolarHBondContact O-N 3.46Å; N950-K952 WeakPolarHBondContact OD1-CB 3.45Å; N950-K952 PolarHBondContact OD1-N 3.43Å
953	E	89.5	Confident	91.8	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.07	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-23.7	-172.7	-71.2	169.2	114.9	0	0	112.6	L924 W925 N950 Y955 A956 L957 I962	L924-E953 WeakPolarHBondContact CB-OE1 3.5Å; L924-E953 PolarHBondContact N-OE1 3.07Å; W925-E953 PolarHBondContact N-OE1 3.49Å; W925-E953 PolarHBondContact N-OE2 2.89Å; N950-E953 PolarHBondContact ND2-OE2 3.26Å; N950-E953 PolarHBondContact O-N 3.49Å; N950-E953 VanDerWaalsContact O-N 3.09Å; E953-Y955 VanDerWaalsContact C-N 3.33Å; E953-Y955 PolarHBondContact O-N 3.35Å; E953-A956 WeakPolarHBondContact O-CB 3.41Å; E953-A956 PolarHBondContact O-N 3.33Å; E953-L957 HydrophobicContact CB-CD1 4.3Å; E953-L957 PolarHBondContact O-N 3.2Å; E953-I962 HydrophobicContact CB-CD1 4.27Å; E953-I962 HydrophobicContact CG-CD1 4.37Å
954	V	93.5	Very high	91.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.2	-43.4	-175.7	68.7	0	0	0	0	113.6	F892 V949 N950 L957 N958 F986 T989 F991 T1109	F892-V954 HydrophobicContact CB-CG2 4.07Å; F892-V954 HydrophobicContact CD2-CB 3.61Å; F892-V954 HydrophobicContact CD2-CG1 4.33Å; F892-V954 HydrophobicContact CD2-CG2 3.46Å; F892-V954 VanDerWaalsContact CD2-CG2 3.46Å; F892-V954 HydrophobicContact CE2-CB 3.79Å; F892-V954 HydrophobicContact CE2-CG1 4.04Å; F892-V954 HydrophobicContact CE2-CG2 3.99Å; F892-V954 HydrophobicContact CG-CB 4.41Å; F892-V954 HydrophobicContact CG-CG2 3.75Å; V949-V954 HydrophobicContact CG1-CB 4.4Å; N950-V954 PolarHBondContact O-N 2.91Å; V954-L957 PolarHBondContact O-N 3Å; V954-N958 VanDerWaalsContact O-CB 3.3Å; V954-N958 WeakPolarHBondContact O-CB 3.3Å; V954-N958 PolarHBondContact O-N 2.91Å; V954-F986 HydrophobicContact CG2-CZ 4.13Å; V954-T989 HydrophobicContact CG2-CG2 3.49Å; V954-T989 VanDerWaalsContact CG2-CG2 3.49Å; V954-F991 WeakPolarHBondContact CG2-O 3.29Å; V954-T1109 HydrophobicContact CG1-CG2 3.9Å
955	Y	92.1	Very high	91.4	Very high	42 Å²	42	42.3 Å²	42.3	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-39	176.9	173.4	-136	0	0	0	112.7	E953 L957 N958 S959 G992 P994 I1018 R1022 P1111	E953-Y955 VanDerWaalsContact C-N 3.33Å; E953-Y955 PolarHBondContact O-N 3.35Å; Y955-L957 VanDerWaalsContact C-N 3.3Å; Y955-L957 PolarHBondContact O-N 3.01Å; Y955-N958 PolarHBondContact O-N 3.03Å; Y955-S959 WeakPolarHBondContact O-CB 3.48Å; Y955-S959 PolarHBondContact O-N 3.19Å; Y955-S959 PolarHBondContact O-OG 2.83Å; Y955-G992 WeakPolarHBondContact CD2-O 3.39Å; Y955-P994 HydrophobicContact CE2-CG 4.22Å; Y955-I1018 HydrophobicContact CE2-CG2 3.73Å; Y955-R1022 WeakPolarHBondContact OH-CD 3.5Å; Y955-R1022 WeakPolarHBondContact OH-CG 3.27Å; Y955-R1022 PolarHBondContact OH-NE 3.14Å; Y955-R1022 VanDerWaalsContact OH-NE 3.08Å; Y955-R1022 PolarHBondContact OH-NH1 3.26Å; Y955-P1111 HydrophobicContact CD1-CB 3.91Å; Y955-P1111 HydrophobicContact CD1-CG 3.97Å; Y955-P1111 HydrophobicContact CD2-CB 4.32Å; Y955-P1111 HydrophobicContact CD2-CG 3.54Å; Y955-P1111 HydrophobicContact CE1-CB 3.54Å; Y955-P1111 HydrophobicContact CE1-CG 3.86Å; Y955-P1111 HydrophobicContact CE2-CB 3.99Å; Y955-P1111 HydrophobicContact CE2-CG 3.43Å; Y955-P1111 VanDerWaalsContact CE2-CG 3.43Å; Y955-P1111 HydrophobicContact CG-CB 4.26Å; Y955-P1111 HydrophobicContact CG-CG 3.79Å
956	A	90.7	Very high	91.2	Very high	22 Å²	22	43.8 Å²	43.8	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-35.8	180	0	0	0	0	0	111.2	E953 S959 G960 T961 I962	E953-A956 WeakPolarHBondContact O-CB 3.41Å; E953-A956 PolarHBondContact O-N 3.33Å; A956-S959 PolarHBondContact O-OG 3Å; A956-G960 PolarHBondContact O-N 3.37Å; A956-T961 VanDerWaalsContact CA-OG1 3.31Å; A956-T961 WeakPolarHBondContact CA-OG1 3.29Å; A956-T961 PolarHBondContact O-N 2.78Å; A956-T961 PolarHBondContact O-OG1 2.88Å; A956-I962 HydrophobicContact CB-CD1 3.72Å; A956-I962 HydrophobicContact CB-CG1 3.7Å; A956-I962 HydrophobicContact CB-CG2 4.35Å; A956-I962 PolarHBondContact O-N 3.1Å
957	L	92.9	Very high	91	Very high	8 Å²	8	46 Å²	46	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-50.1	172.9	-71.8	160.5	0	0	0	112.4	V949 E953 V954 Y955 S959 G960 I962 L964 F986	V949-L957 HydrophobicContact CB-CD1 4.25Å; V949-L957 HydrophobicContact CG1-CD1 3.37Å; V949-L957 HydrophobicContact CG2-CD1 3.79Å; E953-L957 HydrophobicContact CB-CD1 4.3Å; E953-L957 PolarHBondContact O-N 3.2Å; V954-L957 PolarHBondContact O-N 3Å; Y955-L957 VanDerWaalsContact C-N 3.3Å; Y955-L957 PolarHBondContact O-N 3.01Å; L957-S959 PolarHBondContact O-N 2.73Å; L957-S959 VanDerWaalsContact O-N 3.16Å; L957-G960 PolarHBondContact O-N 3.37Å; L957-I962 HydrophobicContact CD2-CD1 4.34Å; L957-I962 HydrophobicContact CD2-CG1 3.81Å; L957-I962 HydrophobicContact CG-CD1 4.01Å; L957-I962 HydrophobicContact CG-CG1 3.77Å; L957-L964 HydrophobicContact CD1-CD2 4.03Å; L957-L964 HydrophobicContact CD2-CD2 3.77Å; L957-L964 HydrophobicContact CD2-CG 3.83Å; L957-F986 HydrophobicContact CB-CD1 3.57Å; L957-F986 HydrophobicContact CB-CD2 4.42Å; L957-F986 HydrophobicContact CB-CE1 3.74Å; L957-F986 HydrophobicContact CB-CG 3.93Å; L957-F986 HydrophobicContact CB-CZ 4.26Å; L957-F986 HydrophobicContact CD1-CD2 4.03Å; L957-F986 HydrophobicContact CD1-CE2 4.19Å; L957-F986 HydrophobicContact CD1-CG 4.26Å; L957-F986 HydrophobicContact CD2-CB 4.2Å; L957-F986 HydrophobicContact CD2-CG 4.33Å; L957-F986 HydrophobicContact CG-CG 4.4Å
958	N	93.1	Very high	90.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-55.9	-31.4	175.9	-95.1	-21.2	0	0	0	113	V954 Y955 P988 T989 F991 L993 H1015 I1018	V954-N958 VanDerWaalsContact O-CB 3.3Å; V954-N958 WeakPolarHBondContact O-CB 3.3Å; V954-N958 PolarHBondContact O-N 2.91Å; Y955-N958 PolarHBondContact O-N 3.03Å; N958-P988 VanDerWaalsContact OD1-CA 3.27Å; N958-P988 WeakPolarHBondContact OD1-CA 3.37Å; N958-P988 WeakPolarHBondContact OD1-CB 3.33Å; N958-T989 PolarHBondContact ND2-O 3.08Å; N958-T989 PolarHBondContact OD1-N 2.98Å; N958-T989 PolarHBondContact OD1-O 3.25Å; N958-F991 PolarHBondContact ND2-O 3.25Å; N958-L993 HydrophobicContact CB-CD2 4.11Å; N958-H1015 PolarHBondContact O-CD2 2.9Å; N958-H1015 VanDerWaalsContact O-CD2 3.24Å; N958-I1018 HydrophobicContact CB-CD1 4.2Å; N958-I1018 WeakPolarHBondContact O-CD1 3.49Å
959	S	90.5	Very high	90.7	Very high	15 Å²	15	43.4 Å²	43.4	11%	0.105	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.6	177.4	57.3	0	0	0	0	114.5	Y955 A956 L957 T961	Y955-S959 WeakPolarHBondContact O-CB 3.48Å; Y955-S959 PolarHBondContact O-N 3.19Å; Y955-S959 PolarHBondContact O-OG 2.83Å; A956-S959 PolarHBondContact O-OG 3Å; L957-S959 PolarHBondContact O-N 2.73Å; L957-S959 VanDerWaalsContact O-N 3.16Å; S959-T961 PolarHBondContact O-N 3.2Å; S959-T961 PolarHBondContact OG-OG1 3.1Å
960	G	87.4	Confident	90.8	Very high	28 Å²	28	43.4 Å²	43.4	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	12.1	-178.3	0	0	0	0	0	114.8	A956 L957 H1015	A956-G960 PolarHBondContact O-N 3.37Å; L957-G960 PolarHBondContact O-N 3.37Å; G960-H1015 PolarHBondContact N-NE2 3.02Å
961	T	87.3	Confident	91	Very high	89 Å²	89	44.2 Å²	44.2	55%	0.546	23%	0.233	S	C	.	.	S	Bend	trans	-80.8	-21.6	-177.5	59.8	0	0	0	0	113.2	A956 S959	A956-T961 VanDerWaalsContact CA-OG1 3.31Å; A956-T961 WeakPolarHBondContact CA-OG1 3.29Å; A956-T961 PolarHBondContact O-N 2.78Å; A956-T961 PolarHBondContact O-OG1 2.88Å; S959-T961 PolarHBondContact O-N 3.2Å; S959-T961 PolarHBondContact OG-OG1 3.1Å
962	I	89.3	Confident	91.2	Very high	64 Å²	64	39.4 Å²	39.4	33%	0.328	21%	0.214	S	C	.	.	S	Bend	trans	-129.3	162.3	162.2	67.5	177.9	0	0	0	109.5	E953 A956 L957	E953-I962 HydrophobicContact CB-CD1 4.27Å; E953-I962 HydrophobicContact CG-CD1 4.37Å; A956-I962 HydrophobicContact CB-CD1 3.72Å; A956-I962 HydrophobicContact CB-CG1 3.7Å; A956-I962 HydrophobicContact CB-CG2 4.35Å; A956-I962 PolarHBondContact O-N 3.1Å; L957-I962 HydrophobicContact CD2-CD1 4.34Å; L957-I962 HydrophobicContact CD2-CG1 3.81Å; L957-I962 HydrophobicContact CG-CD1 4.01Å; L957-I962 HydrophobicContact CG-CG1 3.77Å
963	Q	90.2	Very high	91.4	Very high	144 Å²	144	37.2 Å²	37.2	67%	0.673	21%	0.206	S	C	*	.			trans	-130.8	156.9	177.2	-66.3	179.4	-15.3	0	0	109.6	S965	Q963-S965 PolarHBondContact O-N 3.36Å
964	L	93.6	Very high	91.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	24%	0.24	C	C	.	.	S	Bend	trans	-81.9	57.7	174.5	-59.2	179.3	0	0	0	110.8	V890 W925 I947 V949 L957 N983 A984 F986	V890-L964 HydrophobicContact CB-CD1 3.69Å; V890-L964 HydrophobicContact CG1-CD1 3.79Å; V890-L964 HydrophobicContact CG2-CD1 4.2Å; W925-L964 HydrophobicContact CB-CD2 4.33Å; W925-L964 HydrophobicContact CD2-CD2 3.57Å; W925-L964 HydrophobicContact CE3-CD2 4.16Å; W925-L964 HydrophobicContact CG-CD2 3.65Å; W925-L964 HydrophobicContact CH2-CB 4.44Å; W925-L964 HydrophobicContact CZ2-CB 4.32Å; W925-L964 HydrophobicContact CZ2-CD2 4.24Å; I947-L964 HydrophobicContact CG2-CD1 4.47Å; V949-L964 HydrophobicContact CG2-CD1 4.18Å; V949-L964 HydrophobicContact CG2-CD2 4.06Å; L957-L964 HydrophobicContact CD1-CD2 4.03Å; L957-L964 HydrophobicContact CD2-CD2 3.77Å; L957-L964 HydrophobicContact CD2-CG 3.83Å; L964-N983 CarbonylContact O-C 3.48Å; L964-A984 HydrophobicContact CB-CB 3.75Å; L964-A984 HydrophobicContact CD1-CB 4.03Å; L964-A984 PolarHBondContact O-N 3.17Å; L964-F986 HydrophobicContact CD1-CB 3.87Å; L964-F986 HydrophobicContact CD1-CD2 4.2Å; L964-F986 HydrophobicContact CG-CB 4.23Å
965	S	92.2	Very high	90.6	Very high	67 Å²	67	45.2 Å²	45.2	47%	0.469	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.9	-178.5	160.5	0	0	0	0	109.3	Q963 I982	Q963-S965 PolarHBondContact O-N 3.36Å; S965-I982 CarbonylContact C-O 3.55Å; S965-I982 WeakPolarHBondContact CA-O 3.37Å
966	T	92.1	Very high	90.3	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.3	175	-164.1	0	0	0	0	112.3	P923 W925 L926 V968 I982	P923-T966 HydrophobicContact CG-CG2 4.08Å; W925-T966 HydrophobicContact CH2-CG2 3.78Å; W925-T966 HydrophobicContact CZ2-CG2 4.28Å; L926-T966 HydrophobicContact CD2-CG2 3.92Å; T966-V968 HydrophobicContact CG2-CG1 4.42Å; T966-I982 HydrophobicContact CG2-CB 4.16Å; T966-I982 HydrophobicContact CG2-CD1 4.29Å; T966-I982 PolarHBondContact N-O 3.03Å; T966-I982 PolarHBondContact O-N 3.09Å
967	I	91.7	Very high	90.4	Very high	91 Å²	91	50.7 Å²	50.7	47%	0.467	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.8	170.1	-59.2	174.2	0	0	0	107.7	F979 I980	I967-F979 HydrophobicContact CG2-CB 3.92Å; I967-F979 HydrophobicContact CG2-CD1 4.14Å; I967-I980 WeakPolarHBondContact CA-O 3.31Å
968	V	92.4	Very high	90.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.9	170.9	-59.1	0	0	0	0	111.1	F914 F922 L926 F945 T966 I980 I982	F914-V968 HydrophobicContact CD1-CB 4.25Å; F914-V968 HydrophobicContact CD1-CG2 4Å; F914-V968 HydrophobicContact CE1-CB 4.49Å; F914-V968 HydrophobicContact CE1-CG2 3.75Å; F922-V968 HydrophobicContact CD1-CB 4.5Å; F922-V968 HydrophobicContact CD1-CG1 3.77Å; F922-V968 HydrophobicContact CE1-CB 3.86Å; F922-V968 HydrophobicContact CE1-CG1 3.54Å; F922-V968 HydrophobicContact CG-CG1 4.48Å; F922-V968 HydrophobicContact CZ-CB 4.37Å; F922-V968 HydrophobicContact CZ-CG1 4.08Å; L926-V968 HydrophobicContact CD2-CG1 3.71Å; F945-V968 HydrophobicContact CE1-CG2 3.92Å; T966-V968 HydrophobicContact CG2-CG1 4.42Å; V968-I980 HydrophobicContact CG2-CB 3.96Å; V968-I980 HydrophobicContact CG2-CG2 4.43Å; V968-I980 PolarHBondContact N-O 3.02Å; V968-I980 PolarHBondContact O-N 2.96Å; V968-I982 HydrophobicContact CG1-CD1 3.96Å; V968-I982 HydrophobicContact CG2-CD1 4.01Å
969	V	92.6	Very high	90.4	Very high	15 Å²	15	57.1 Å²	57.1	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.7	-179.7	-171.4	0	0	0	0	109.9	F914 L915 D977 Y978 F979	F914-V969 WeakPolarHBondContact CA-O 3.43Å; L915-V969 HydrophobicContact CB-CB 4.39Å; L915-V969 HydrophobicContact CD1-CB 4.02Å; L915-V969 HydrophobicContact CD1-CG1 3.88Å; L915-V969 HydrophobicContact CG-CB 4.29Å; L915-V969 HydrophobicContact CG-CG1 4.36Å; L915-V969 PolarHBondContact N-O 2.83Å; V969-D977 HydrophobicContact CG1-CB 4.04Å; V969-Y978 WeakPolarHBondContact CA-O 3.4Å; V969-F979 HydrophobicContact CG1-CE1 4.29Å; V969-F979 HydrophobicContact CG2-CD1 3.8Å; V969-F979 HydrophobicContact CG2-CE1 3.71Å
970	L	94	Very high	90.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.9	169.5	-176.6	161.6	0	0	0	108.1	L902 F912 F914 L943 L972 Y978 I980	L902-L970 HydrophobicContact CD1-CD1 4.37Å; L902-L970 HydrophobicContact CD1-CD2 4.47Å; L902-L970 HydrophobicContact CD2-CD1 4.19Å; F912-L970 HydrophobicContact CB-CD2 3.96Å; F912-L970 HydrophobicContact CB-CG 4.48Å; F912-L970 HydrophobicContact CD2-CD1 4.13Å; F912-L970 HydrophobicContact CD2-CD2 4.44Å; F912-L970 HydrophobicContact CD2-CG 4.09Å; F912-L970 HydrophobicContact CG-CD2 4.47Å; F914-L970 HydrophobicContact CD1-CB 4.14Å; F914-L970 HydrophobicContact CE1-CB 3.82Å; F914-L970 HydrophobicContact CE1-CD1 4.27Å; F914-L970 HydrophobicContact CE1-CG 4.38Å; F914-L970 HydrophobicContact CE2-CD1 4.21Å; F914-L970 HydrophobicContact CZ-CB 4.19Å; F914-L970 HydrophobicContact CZ-CD1 3.79Å; F914-L970 HydrophobicContact CZ-CG 4.27Å; L943-L970 HydrophobicContact CD1-CD1 3.52Å; L970-L972 HydrophobicContact CD2-CD2 3.94Å; L970-Y978 HydrophobicContact CD2-CD2 4.2Å; L970-Y978 PolarHBondContact N-O 2.81Å; L970-Y978 PolarHBondContact O-N 2.98Å; L970-I980 HydrophobicContact CB-CD1 4.12Å; L970-I980 HydrophobicContact CD1-CD1 4.33Å
971	Q	92.6	Very high	90.9	Very high	49 Å²	49	56.6 Å²	56.6	23%	0.229	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.5	177.8	175	156.8	99.3	0	0	110.4	F912 K913 L915 D977	F912-Q971 CarbonylContact C-O 3.59Å; F912-Q971 VanDerWaalsContact CA-O 3.25Å; F912-Q971 WeakPolarHBondContact CA-O 3.14Å; K913-Q971 HydrophobicContact CG-CB 4.25Å; K913-Q971 PolarHBondContact N-O 3.07Å; K913-Q971 PolarHBondContact O-N 3Å; L915-Q971 HydrophobicContact CD2-CB 4.43Å; Q971-D977 WeakPolarHBondContact CA-OD1 3.45Å; Q971-D977 WeakPolarHBondContact CB-OD1 3.19Å; Q971-D977 WeakPolarHBondContact CG-OD1 3.24Å; Q971-D977 PolarHBondContact NE2-OD1 2.72Å
972	L	93.2	Very high	91.3	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.4	161.7	-58.9	-173.9	0	0	0	109.4	P876 A878 F910 F912 L970 D974 G975 K976 Y978	P876-L972 HydrophobicContact CB-CB 4.36Å; P876-L972 HydrophobicContact CB-CD1 4Å; A878-L972 HydrophobicContact CB-CD1 3.85Å; A878-L972 HydrophobicContact CB-CD2 4.35Å; F910-L972 HydrophobicContact CD2-CD2 3.76Å; F910-L972 HydrophobicContact CE2-CD2 3.54Å; F910-L972 HydrophobicContact CG-CD2 4.45Å; F910-L972 HydrophobicContact CZ-CD2 4.03Å; F912-L972 HydrophobicContact CB-CD2 3.8Å; L970-L972 HydrophobicContact CD2-CD2 3.94Å; L972-D974 PolarHBondContact O-N 2.6Å; L972-G975 PolarHBondContact O-N 2.74Å; L972-K976 WeakPolarHBondContact CG-O 3.46Å; L972-Y978 HydrophobicContact CD1-CE2 3.86Å; L972-Y978 HydrophobicContact CG-CD2 4.49Å; L972-Y978 HydrophobicContact CG-CE2 4.05Å
973	E	88.3	Confident	91.5	Very high	93 Å²	93	51.4 Å²	51.4	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	127.4	172	-173.9	162.8	-120.6	0	0	109.9	P876 Q911 G975	P876-E973 WeakPolarHBondContact CG-O 3.07Å; Q911-E973 HydrophobicContact CB-CB 4.24Å; Q911-E973 PolarHBondContact O-N 2.97Å; E973-G975 PolarHBondContact O-N 3.25Å; E973-G975 VanDerWaalsContact O-N 3.07Å
974	D	82.7	Confident	91.8	Very high	149 Å²	149	45.5 Å²	45.5	80%	0.797	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	21	-170.1	-64.5	-27.8	0	0	0	115.8	L972	L972-D974 PolarHBondContact O-N 2.6Å
975	G	84.3	Confident	91.8	Very high	35 Å²	35	50.4 Å²	50.4	36%	0.361	27%	0.268	S	S	.	.	S	Bend	trans	-123.8	-154.5	-177.6	0	0	0	0	0	114.6	L972 E973	L972-G975 PolarHBondContact O-N 2.74Å; E973-G975 PolarHBondContact O-N 3.25Å; E973-G975 VanDerWaalsContact O-N 3.07Å
976	K	86.1	Confident	91.9	Very high	124 Å²	124	48.3 Å²	48.3	54%	0.539	25%	0.251	S	S	.	.			trans	-92	142.2	180	-179.7	-170.9	166.6	-162.2	0	111.6	L972 Y978	L972-K976 WeakPolarHBondContact CG-O 3.46Å; K976-Y978 HydrophobicContact CB-CE2 4.3Å; K976-Y978 HydrophobicContact CD-CE1 4.48Å; K976-Y978 HydrophobicContact CG-CE2 4.47Å; K976-Y978 WeakPolarHBondContact O-CD2 3.35Å; K976-Y978 WeakPolarHBondContact O-CE2 3.2Å
977	D	91	Very high	92	Very high	55 Å²	55	49.1 Å²	49.1	29%	0.294	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141	167.5	-65.2	-34.4	0	0	0	112.6	V969 Q971 F979	V969-D977 HydrophobicContact CG1-CB 4.04Å; Q971-D977 WeakPolarHBondContact CA-OD1 3.45Å; Q971-D977 WeakPolarHBondContact CB-OD1 3.19Å; Q971-D977 WeakPolarHBondContact CG-OD1 3.24Å; Q971-D977 PolarHBondContact NE2-OD1 2.72Å; D977-F979 HydrophobicContact CB-CE2 4.32Å
978	Y	93.3	Very high	92	Very high	21 Å²	21	46 Å²	46	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.3	174.3	-64.5	-95.6	0	0	0	110.6	A878 L880 V969 L970 L972 K976	A878-Y978 HydrophobicContact CB-CE2 4.41Å; A878-Y978 PolarHBondContact O-OH 3.25Å; L880-Y978 HydrophobicContact CD1-CD1 3.66Å; L880-Y978 HydrophobicContact CD1-CG 3.8Å; L880-Y978 HydrophobicContact CG-CD1 4.35Å; V969-Y978 WeakPolarHBondContact CA-O 3.4Å; L970-Y978 HydrophobicContact CD2-CD2 4.2Å; L970-Y978 PolarHBondContact N-O 2.81Å; L970-Y978 PolarHBondContact O-N 2.98Å; L972-Y978 HydrophobicContact CD1-CE2 3.86Å; L972-Y978 HydrophobicContact CG-CD2 4.49Å; L972-Y978 HydrophobicContact CG-CE2 4.05Å; K976-Y978 HydrophobicContact CB-CE2 4.3Å; K976-Y978 HydrophobicContact CD-CE1 4.48Å; K976-Y978 HydrophobicContact CG-CE2 4.47Å; K976-Y978 WeakPolarHBondContact O-CD2 3.35Å; K976-Y978 WeakPolarHBondContact O-CE2 3.2Å
979	F	93.2	Very high	92.2	Very high	122 Å²	122	46 Å²	46	54%	0.535	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.3	179.4	-61	-92.8	0	0	0	108.2	I967 V969 D977	I967-F979 HydrophobicContact CG2-CB 3.92Å; I967-F979 HydrophobicContact CG2-CD1 4.14Å; V969-F979 HydrophobicContact CG1-CE1 4.29Å; V969-F979 HydrophobicContact CG2-CD1 3.8Å; V969-F979 HydrophobicContact CG2-CE1 3.71Å; D977-F979 HydrophobicContact CB-CE2 4.32Å
980	I	94.7	Very high	92.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.9	-177.3	-64.2	151.7	0	0	0	107.6	L880 Q883 L885 L900 F914 F945 I967 V968 L970 I982	L880-I980 HydrophobicContact CD1-CD1 4.21Å; L880-I980 HydrophobicContact CD1-CG1 4.14Å; Q883-I980 WeakPolarHBondContact O-CA 3.41Å; L885-I980 HydrophobicContact CD1-CG2 4.37Å; L900-I980 HydrophobicContact CD2-CD1 3.99Å; L900-I980 HydrophobicContact CD2-CG1 4.17Å; L900-I980 HydrophobicContact CD2-CG2 3.88Å; F914-I980 HydrophobicContact CE1-CD1 4.07Å; F914-I980 HydrophobicContact CZ-CD1 4.42Å; F945-I980 HydrophobicContact CE1-CG2 4.28Å; F945-I980 HydrophobicContact CZ-CD1 4.24Å; F945-I980 HydrophobicContact CZ-CG2 4.34Å; I967-I980 WeakPolarHBondContact CA-O 3.31Å; V968-I980 HydrophobicContact CG2-CB 3.96Å; V968-I980 HydrophobicContact CG2-CG2 4.43Å; V968-I980 PolarHBondContact N-O 3.02Å; V968-I980 PolarHBondContact O-N 2.96Å; L970-I980 HydrophobicContact CB-CD1 4.12Å; L970-I980 HydrophobicContact CD1-CD1 4.33Å; I980-I982 HydrophobicContact CG2-CG1 4.43Å
981	S	94.4	Very high	92.4	Very high	33 Å²	33	45.4 Å²	45.4	23%	0.231	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.3	176.2	-162.9	0	0	0	0	110.3	Q883 E884 L885	Q883-S981 PolarHBondContact O-N 3.47Å; E884-S981 CarbonylContact C-O 3.44Å; E884-S981 WeakPolarHBondContact CA-O 3.29Å; L885-S981 PolarHBondContact N-O 2.87Å
982	I	94.8	Very high	92.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.3	179.5	-61.9	166.6	0	0	0	107.2	L885 F887 W925 L926 F945 I947 S965 T966 V968 I980	L885-I982 WeakPolarHBondContact O-CA 3.44Å; F887-I982 HydrophobicContact CD2-CG2 4.19Å; F887-I982 HydrophobicContact CE2-CG2 3.87Å; W925-I982 HydrophobicContact CH2-CG2 4.26Å; W925-I982 HydrophobicContact CZ3-CG2 4.1Å; L926-I982 HydrophobicContact CD1-CD1 3.99Å; L926-I982 HydrophobicContact CD2-CD1 3.45Å; L926-I982 VanDerWaalsContact CD2-CD1 3.45Å; L926-I982 HydrophobicContact CG-CD1 4.38Å; F945-I982 HydrophobicContact CD1-CD1 3.62Å; F945-I982 HydrophobicContact CD1-CG1 4.31Å; F945-I982 HydrophobicContact CE1-CD1 3.82Å; I947-I982 HydrophobicContact CD1-CG2 4.1Å; S965-I982 CarbonylContact C-O 3.55Å; S965-I982 WeakPolarHBondContact CA-O 3.37Å; T966-I982 HydrophobicContact CG2-CB 4.16Å; T966-I982 HydrophobicContact CG2-CD1 4.29Å; T966-I982 PolarHBondContact N-O 3.03Å; T966-I982 PolarHBondContact O-N 3.09Å; V968-I982 HydrophobicContact CG1-CD1 3.96Å; V968-I982 HydrophobicContact CG2-CD1 4.01Å; I980-I982 HydrophobicContact CG2-CG1 4.43Å
983	N	94.9	Very high	92.4	Very high	43 Å²	43	42.9 Å²	42.9	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.6	-174.5	-70.4	-39.8	0	0	0	109.5	E884 L885 D886 F887 L964	E884-N983 PolarHBondContact OE1-ND2 2.76Å; L885-N983 PolarHBondContact O-N 2.96Å; D886-N983 CarbonylContact C-O 3.57Å; D886-N983 WeakPolarHBondContact CA-O 3.31Å; F887-N983 PolarHBondContact N-O 3.18Å; L964-N983 CarbonylContact O-C 3.48Å
984	A	95.5	Very high	92.5	Very high	21 Å²	21	39.1 Å²	39.1	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.1	168.4	0	0	0	0	0	110.9	F887 V890 I947 L964	F887-A984 HydrophobicContact CB-CB 3.87Å; V890-A984 HydrophobicContact CG2-CB 3.71Å; I947-A984 HydrophobicContact CD1-CB 4.08Å; L964-A984 HydrophobicContact CB-CB 3.75Å; L964-A984 HydrophobicContact CD1-CB 4.03Å; L964-A984 PolarHBondContact O-N 3.17Å
985	Q	93.6	Very high	92.8	Very high	105 Å²	105	32.9 Å²	32.9	49%	0.491	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.3	170.4	-178	174.9	-10.6	0	0	109.6	G888 C889 V890	G888-Q985 PolarHBondContact O-N 2.98Å; C889-Q985 CarbonylContact C-O 3.6Å; C889-Q985 WeakPolarHBondContact CA-O 3.41Å; V890-Q985 PolarHBondContact N-O 2.84Å
986	F	94.3	Very high	92.9	Very high	24 Å²	24	33.2 Å²	33.2	11%	0.105	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.4	170.2	-175.8	-109.7	0	0	0	110.6	V890 F892 V949 V954 L957 L964 T989	V890-F986 WeakPolarHBondContact O-CA 3.45Å; V890-F986 WeakPolarHBondContact O-CD2 3.48Å; F892-F986 HydrophobicContact CB-CE2 4.34Å; F892-F986 HydrophobicContact CB-CZ 4.28Å; V949-F986 HydrophobicContact CB-CE2 4.2Å; V949-F986 HydrophobicContact CG1-CE2 3.88Å; V949-F986 HydrophobicContact CG1-CZ 4.47Å; V949-F986 HydrophobicContact CG2-CD2 4.05Å; V949-F986 HydrophobicContact CG2-CE2 4.06Å; V954-F986 HydrophobicContact CG2-CZ 4.13Å; L957-F986 HydrophobicContact CB-CD1 3.57Å; L957-F986 HydrophobicContact CB-CD2 4.42Å; L957-F986 HydrophobicContact CB-CE1 3.74Å; L957-F986 HydrophobicContact CB-CG 3.93Å; L957-F986 HydrophobicContact CB-CZ 4.26Å; L957-F986 HydrophobicContact CD1-CD2 4.03Å; L957-F986 HydrophobicContact CD1-CE2 4.19Å; L957-F986 HydrophobicContact CD1-CG 4.26Å; L957-F986 HydrophobicContact CD2-CB 4.2Å; L957-F986 HydrophobicContact CD2-CG 4.33Å; L957-F986 HydrophobicContact CG-CG 4.4Å; L964-F986 HydrophobicContact CD1-CB 3.87Å; L964-F986 HydrophobicContact CD1-CD2 4.2Å; L964-F986 HydrophobicContact CG-CB 4.23Å; F986-T989 HydrophobicContact CZ-CG2 4.12Å
987	I	94	Very high	93	Very high	48 Å²	48	27.3 Å²	27.3	25%	0.246	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-92.8	119.8	172.9	-58.6	-55.6	0	0	0	108.7	C889 V890	C889-I987 HydrophobicContact CB-CD1 3.99Å; C889-I987 HydrophobicContact CB-CG1 3.86Å; V890-I987 PolarHBondContact O-N 3.22Å
988	P	92.9	Very high	92.9	Very high	26 Å²	26	24.8 Å²	24.8	17%	0.169	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-62.8	149.4	-177.7	-22.5	32.6	0	0	0	113.9	N958 I1011 L1014	N958-P988 VanDerWaalsContact OD1-CA 3.27Å; N958-P988 WeakPolarHBondContact OD1-CA 3.37Å; N958-P988 WeakPolarHBondContact OD1-CB 3.33Å; P988-I1011 HydrophobicContact CG-CG1 4.01Å; P988-L1014 HydrophobicContact CB-CD2 3.37Å; P988-L1014 HydrophobicContact CG-CD2 3.98Å
989	T	95.5	Very high	92.7	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.125	C	C	.	.			trans	-136	155.4	-173.9	179.4	0	0	0	0	111	F892 V954 N958 F986 F991 L993 D1082	F892-T989 HydrophobicContact CB-CG2 3.73Å; F892-T989 HydrophobicContact CG-CG2 4.22Å; V954-T989 HydrophobicContact CG2-CG2 3.49Å; V954-T989 VanDerWaalsContact CG2-CG2 3.49Å; N958-T989 PolarHBondContact ND2-O 3.08Å; N958-T989 PolarHBondContact OD1-N 2.98Å; N958-T989 PolarHBondContact OD1-O 3.25Å; F986-T989 HydrophobicContact CZ-CG2 4.12Å; T989-F991 HydrophobicContact CG2-CB 3.99Å; T989-F991 PolarHBondContact O-N 2.81Å; T989-F991 WeakPolarHBondContact OG1-CD2 3.38Å; T989-F991 PolarHBondContact OG1-N 3.38Å; T989-L993 WeakPolarHBondContact O-CG 3.46Å; T989-D1082 VanDerWaalsContact CA-OD2 3.31Å; T989-D1082 WeakPolarHBondContact CA-OD2 3.41Å; T989-D1082 WeakPolarHBondContact CB-OD2 3.31Å; T989-D1082 PolarHBondContact OG1-OD1 2.79Å; T989-D1082 PolarHBondContact OG1-OD2 2.73Å
990	S	95.1	Very high	92.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	10%	0.101	C	C	.	.	S	Bend	trans	-67.6	-24.1	172.5	57.3	0	0	0	0	112.7	G992 L993 D1082	S990-G992 PolarHBondContact O-N 3.42Å; S990-L993 PolarHBondContact O-N 2.66Å; S990-D1082 WeakPolarHBondContact CB-OD1 3.27Å; S990-D1082 PolarHBondContact N-OD1 3.02Å; S990-D1082 PolarHBondContact OG-OD1 3.26Å
991	F	95.4	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	124.8	174.2	-74	-104.5	0	0	0	110.6	F892 V954 N958 T989 L993 R1078 L1081 L1105 F1106 T1109	F892-F991 HydrophobicContact CD1-CB 3.73Å; F892-F991 HydrophobicContact CD1-CD1 4.13Å; F892-F991 HydrophobicContact CD1-CD2 4.21Å; F892-F991 AromaticContact CD1-CG 3.77Å; F892-F991 HydrophobicContact CD1-CG 3.77Å; F892-F991 HydrophobicContact CE1-CB 3.68Å; F892-F991 AromaticContact CE1-CD1 3.45Å; F892-F991 HydrophobicContact CE1-CD1 3.45Å; F892-F991 VanDerWaalsContact CE1-CD1 3.45Å; F892-F991 HydrophobicContact CE1-CD2 4.35Å; F892-F991 HydrophobicContact CE1-CE1 4.14Å; F892-F991 AromaticContact CE1-CG 3.57Å; F892-F991 HydrophobicContact CE1-CG 3.57Å; F892-F991 HydrophobicContact CG-CB 4.5Å; F892-F991 HydrophobicContact CZ-CB 4.4Å; F892-F991 HydrophobicContact CZ-CD1 4.31Å; V954-F991 WeakPolarHBondContact CG2-O 3.29Å; N958-F991 PolarHBondContact ND2-O 3.25Å; T989-F991 HydrophobicContact CG2-CB 3.99Å; T989-F991 PolarHBondContact O-N 2.81Å; T989-F991 WeakPolarHBondContact OG1-CD2 3.38Å; T989-F991 PolarHBondContact OG1-N 3.38Å; F991-L993 VanDerWaalsContact C-N 3.34Å; F991-L993 PolarHBondContact O-N 3.2Å; F991-R1078 HydrophobicContact CD2-CG 4.47Å; F991-R1078 HydrophobicContact CE2-CB 4.14Å; F991-R1078 HydrophobicContact CE2-CG 4.42Å; F991-L1081 HydrophobicContact CE2-CD1 3.98Å; F991-L1081 HydrophobicContact CZ-CD1 4.24Å; F991-L1105 HydrophobicContact CD1-CG 4.23Å; F991-L1105 HydrophobicContact CE1-CB 4.31Å; F991-L1105 HydrophobicContact CE1-CD2 4.16Å; F991-L1105 HydrophobicContact CE1-CG 4.06Å; F991-F1106 HydrophobicContact CD1-CB 3.96Å; F991-F1106 AromaticContact CD1-CD2 3.79Å; F991-F1106 HydrophobicContact CD1-CD2 3.79Å; F991-F1106 HydrophobicContact CD1-CG 4.23Å; F991-F1106 AromaticContact CD2-CD2 3.89Å; F991-F1106 HydrophobicContact CD2-CD2 3.89Å; F991-F1106 HydrophobicContact CD2-CE2 4.25Å; F991-F1106 HydrophobicContact CE1-CB 3.67Å; F991-F1106 AromaticContact CE1-CD2 3.8Å; F991-F1106 HydrophobicContact CE1-CD2 3.8Å; F991-F1106 HydrophobicContact CE1-CG 4.21Å; F991-F1106 AromaticContact CE2-CD2 3.88Å; F991-F1106 HydrophobicContact CE2-CD2 3.88Å; F991-F1106 HydrophobicContact CE2-CE2 4.46Å; F991-F1106 AromaticContact CG-CD2 3.85Å; F991-F1106 HydrophobicContact CG-CD2 3.85Å; F991-F1106 HydrophobicContact CG-CE2 4.39Å; F991-F1106 HydrophobicContact CZ-CB 4.3Å; F991-F1106 AromaticContact CZ-CD2 3.84Å; F991-F1106 HydrophobicContact CZ-CD2 3.84Å; F991-T1109 HydrophobicContact CB-CG2 4.4Å; F991-T1109 HydrophobicContact CD1-CG2 4.33Å
992	G	92.7	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	21.8	-179.4	0	0	0	0	0	116.2	Y955 S990 T1109	Y955-G992 WeakPolarHBondContact CD2-O 3.39Å; S990-G992 PolarHBondContact O-N 3.42Å; G992-T1109 WeakPolarHBondContact CA-O 3.28Å; G992-T1109 PolarHBondContact N-OG1 2.98Å
993	L	93.5	Very high	90	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.			trans	-75.2	150.8	159.2	-62.8	-173.9	0	0	0	111.1	N958 T989 S990 F991 L997 L998 L1001 V1006 L1014 I1018 P1111	N958-L993 HydrophobicContact CB-CD2 4.11Å; T989-L993 WeakPolarHBondContact O-CG 3.46Å; S990-L993 PolarHBondContact O-N 2.66Å; F991-L993 VanDerWaalsContact C-N 3.34Å; F991-L993 PolarHBondContact O-N 3.2Å; L993-L997 HydrophobicContact CB-CD2 4.44Å; L993-L997 HydrophobicContact CD1-CD2 4.31Å; L993-L997 HydrophobicContact CD2-CD2 4.29Å; L993-L998 HydrophobicContact CB-CD1 4.42Å; L993-L998 HydrophobicContact CB-CD2 3.93Å; L993-L998 HydrophobicContact CB-CG 3.88Å; L993-L998 HydrophobicContact CD1-CD2 3.99Å; L993-L998 HydrophobicContact CG-CD2 4.44Å; L993-L1001 HydrophobicContact CD1-CD1 4.49Å; L993-V1006 HydrophobicContact CD1-CG2 3.87Å; L993-L1014 HydrophobicContact CD1-CD1 4.27Å; L993-L1014 HydrophobicContact CD2-CD1 4.03Å; L993-I1018 HydrophobicContact CD2-CD1 3.73Å; L993-I1018 HydrophobicContact CD2-CG1 4.2Å; L993-P1111 VanDerWaalsContact O-CD 3.31Å; L993-P1111 WeakPolarHBondContact O-CD 3.46Å
994	P	91.1	Very high	89.5	Confident	13 Å²	13	28 Å²	28	8%	0.084	15%	0.149	C	C	.	.			trans	-56.8	139.9	171.5	-24	33.2	0	0	0	112.2	Y955 I996 L997 L998 I1018 A1021 P1111	Y955-P994 HydrophobicContact CE2-CG 4.22Å; P994-I996 HydrophobicContact CB-CG2 4.29Å; P994-I996 PolarHBondContact O-N 3.3Å; P994-L997 HydrophobicContact CB-CB 4.27Å; P994-L997 WeakPolarHBondContact O-CA 3.43Å; P994-L997 WeakPolarHBondContact O-CB 3.38Å; P994-L997 PolarHBondContact O-N 3.14Å; P994-L998 PolarHBondContact O-N 2.75Å; P994-I1018 HydrophobicContact CG-CG2 4.11Å; P994-A1021 HydrophobicContact CB-CB 4.03Å; P994-A1021 HydrophobicContact CG-CB 4.01Å; P994-P1111 HydrophobicContact CB-CG 4.49Å; P994-P1111 HydrophobicContact CG-CG 4.12Å
995	L	89.4	Confident	89.3	Confident	19 Å²	19	27.1 Å²	27.1	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-53.2	-40.9	179.2	176.6	57.9	0	0	0	112.5	L997 L998 L999 P1045 C1143 L1147	L995-L997 VanDerWaalsContact C-N 3.29Å; L995-L997 PolarHBondContact O-N 3.04Å; L995-L998 PolarHBondContact O-N 3.42Å; L995-L999 HydrophobicContact CD1-CD1 4.03Å; L995-L999 HydrophobicContact CD1-CG 4.25Å; L995-L999 HydrophobicContact CG-CD1 3.97Å; L995-L999 WeakPolarHBondContact O-CD1 3.34Å; L995-L999 VanDerWaalsContact O-CG 3.27Å; L995-L999 WeakPolarHBondContact O-CG 3.44Å; L995-L999 PolarHBondContact O-N 2.94Å; L995-L999 VanDerWaalsContact O-N 3.09Å; L995-P1045 HydrophobicContact CD1-CG 3.52Å; L995-C1143 HydrophobicContact CD2-CB 4.31Å; L995-L1147 HydrophobicContact CD1-CD2 3.89Å; L995-L1147 HydrophobicContact CD2-CD2 3.96Å
996	I	84.8	Confident	89.2	Confident	42 Å²	42	22.3 Å²	22.3	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-32.6	178.8	-156.4	76.5	0	0	0	112.7	P994 S1000 A1021 F1029 L1033	P994-I996 HydrophobicContact CB-CG2 4.29Å; P994-I996 PolarHBondContact O-N 3.3Å; I996-S1000 PolarHBondContact O-N 3.21Å; I996-A1021 HydrophobicContact CG2-CB 3.6Å; I996-F1029 HydrophobicContact CG1-CB 3.82Å; I996-F1029 HydrophobicContact CG1-CG 4.2Å; I996-F1029 HydrophobicContact CG2-CD2 4.4Å; I996-L1033 HydrophobicContact CD1-CD1 3.74Å; I996-L1033 HydrophobicContact CD1-CD2 3.57Å; I996-L1033 HydrophobicContact CD1-CG 4.29Å; I996-L1033 HydrophobicContact CG1-CD1 4.03Å
997	L	88.4	Confident	89.1	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-74	-48.5	176.7	176.1	56.2	0	0	0	110.4	L993 P994 L995 L999 S1000 L1001 L1014 Q1017 I1018 F1029	L993-L997 HydrophobicContact CB-CD2 4.44Å; L993-L997 HydrophobicContact CD1-CD2 4.31Å; L993-L997 HydrophobicContact CD2-CD2 4.29Å; P994-L997 HydrophobicContact CB-CB 4.27Å; P994-L997 WeakPolarHBondContact O-CA 3.43Å; P994-L997 WeakPolarHBondContact O-CB 3.38Å; P994-L997 PolarHBondContact O-N 3.14Å; L995-L997 VanDerWaalsContact C-N 3.29Å; L995-L997 PolarHBondContact O-N 3.04Å; L997-L999 VanDerWaalsContact C-N 3.3Å; L997-L999 PolarHBondContact O-N 2.95Å; L997-S1000 WeakPolarHBondContact O-CA 3.02Å; L997-S1000 WeakPolarHBondContact O-CB 3.39Å; L997-S1000 PolarHBondContact O-N 3.08Å; L997-S1000 PolarHBondContact O-OG 2.75Å; L997-L1001 HydrophobicContact CD1-CD2 4.41Å; L997-L1001 PolarHBondContact O-N 2.94Å; L997-L1014 HydrophobicContact CD2-CD1 4.06Å; L997-Q1017 HydrophobicContact CD1-CB 3.84Å; L997-Q1017 HydrophobicContact CD2-CB 4.42Å; L997-I1018 HydrophobicContact CD2-CB 4.5Å; L997-I1018 HydrophobicContact CD2-CD1 4.46Å; L997-I1018 HydrophobicContact CD2-CG1 3.44Å; L997-I1018 VanDerWaalsContact CD2-CG1 3.44Å; L997-F1029 HydrophobicContact CD1-CE1 4.47Å; L997-F1029 HydrophobicContact CD1-CZ 4.19Å
998	L	90.5	Very high	88.9	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-54	-45.6	177.1	-71.3	169.4	0	0	0	112.2	L993 P994 L995 S1000 L1001 P1045 F1106 L1110	L993-L998 HydrophobicContact CB-CD1 4.42Å; L993-L998 HydrophobicContact CB-CD2 3.93Å; L993-L998 HydrophobicContact CB-CG 3.88Å; L993-L998 HydrophobicContact CD1-CD2 3.99Å; L993-L998 HydrophobicContact CG-CD2 4.44Å; P994-L998 PolarHBondContact O-N 2.75Å; L995-L998 PolarHBondContact O-N 3.42Å; L998-S1000 PolarHBondContact O-N 3.41Å; L998-L1001 PolarHBondContact O-N 3.19Å; L998-P1045 HydrophobicContact CB-CB 4.03Å; L998-P1045 HydrophobicContact CB-CG 4.03Å; L998-P1045 HydrophobicContact CD1-CG 4.49Å; L998-F1106 HydrophobicContact CD1-CE1 3.74Å; L998-F1106 HydrophobicContact CD1-CZ 3.75Å; L998-F1106 HydrophobicContact CD2-CZ 4.08Å; L998-L1110 HydrophobicContact CD1-CD2 4.03Å
999	L	87.3	Confident	88.7	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-32.9	175.1	-70.3	163.9	0	0	0	112.7	L995 L997 L1001 L1033 H1043 P1045 C1143	L995-L999 HydrophobicContact CD1-CD1 4.03Å; L995-L999 HydrophobicContact CD1-CG 4.25Å; L995-L999 HydrophobicContact CG-CD1 3.97Å; L995-L999 WeakPolarHBondContact O-CD1 3.34Å; L995-L999 VanDerWaalsContact O-CG 3.27Å; L995-L999 WeakPolarHBondContact O-CG 3.44Å; L995-L999 PolarHBondContact O-N 2.94Å; L995-L999 VanDerWaalsContact O-N 3.09Å; L997-L999 VanDerWaalsContact C-N 3.3Å; L997-L999 PolarHBondContact O-N 2.95Å; L999-L1001 VanDerWaalsContact C-N 3.35Å; L999-L1033 HydrophobicContact CB-CD2 4.37Å; L999-L1033 HydrophobicContact CD1-CD2 4.01Å; L999-H1043 VanDerWaalsContact CD2-ND1 3.31Å; L999-H1043 WeakPolarHBondContact CD2-ND1 3.29Å; L999-H1043 WeakPolarHBondContact CD2-O 3.5Å; L999-P1045 HydrophobicContact CD2-CG 4.22Å; L999-P1045 HydrophobicContact CG-CG 4.28Å; L999-C1143 HydrophobicContact CD1-CB 3.4Å; L999-C1143 VanDerWaalsContact CD1-CB 3.4Å
1000	S	82.9	Confident	88.3	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-79	-11.7	-178.8	81.9	0	0	0	0	114.7	I996 L997 L998 E1002 F1029 K1032	I996-S1000 PolarHBondContact O-N 3.21Å; L997-S1000 WeakPolarHBondContact O-CA 3.02Å; L997-S1000 WeakPolarHBondContact O-CB 3.39Å; L997-S1000 PolarHBondContact O-N 3.08Å; L997-S1000 PolarHBondContact O-OG 2.75Å; L998-S1000 PolarHBondContact O-N 3.41Å; S1000-E1002 VanDerWaalsContact C-N 3.3Å; S1000-F1029 WeakPolarHBondContact OG-CE1 3.43Å; S1000-K1032 PolarHBondContact O-NZ 3.18Å
1001	L	84.1	Confident	87.9	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.094	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.2	177.3	-61.3	-179.6	0	0	0	113.2	L993 L997 L998 L999 S1003 E1004 L1009	L993-L1001 HydrophobicContact CD1-CD1 4.49Å; L997-L1001 HydrophobicContact CD1-CD2 4.41Å; L997-L1001 PolarHBondContact O-N 2.94Å; L998-L1001 PolarHBondContact O-N 3.19Å; L999-L1001 VanDerWaalsContact C-N 3.35Å; L1001-S1003 PolarHBondContact O-N 2.86Å; L1001-E1004 PolarHBondContact O-N 3.12Å; L1001-L1009 HydrophobicContact CD2-CD1 3.85Å
1002	E	77.4	Confident	87.5	Confident	90 Å²	90	41.1 Å²	41.1	42%	0.421	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-88.7	177.6	-66.7	169.5	-117.6	0	0	113.8	S1000 K1032 L1036	S1000-E1002 VanDerWaalsContact C-N 3.3Å; E1002-K1032 WeakPolarHBondContact OE1-CE 3.42Å; E1002-K1032 IonicContact OE1-NZ 3.52Å; E1002-K1032 PolarHBondContact OE1-NZ 2.92Å; E1002-L1036 HydrophobicContact CG-CD1 4.28Å; E1002-L1036 HydrophobicContact CG-CD2 4.17Å
1003	S	77.7	Confident	87.4	Confident	66 Å²	66	46 Å²	46	46%	0.462	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-12.7	179.7	55.9	0	0	0	0	114.9	L1001	L1001-S1003 PolarHBondContact O-N 2.86Å
1004	E	83.2	Confident	87.3	Confident	104 Å²	104	46.1 Å²	46.1	49%	0.486	24%	0.24	S	C	.	.			trans	-83.4	132.4	-173.8	-71.1	-62.9	156.7	0	0	112.3	L1001 K1046	L1001-E1004 PolarHBondContact O-N 3.12Å; E1004-K1046 WeakPolarHBondContact O-CE 3.39Å; E1004-K1046 PolarHBondContact O-NZ 3.46Å
1005	P	91.4	Very high	87.2	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.013	25%	0.247	C	C	.	.			trans	-70.8	154.4	176.9	26.7	-29.7	0	0	0	112.3	N1007 K1008 D1082 T1083	P1005-N1007 PolarHBondContact O-N 2.92Å; P1005-N1007 VanDerWaalsContact O-N 3.17Å; P1005-K1008 HydrophobicContact CG-CG 4.01Å; P1005-K1008 WeakPolarHBondContact O-CB 3.04Å; P1005-K1008 WeakPolarHBondContact O-CG 3.45Å; P1005-K1008 PolarHBondContact O-N 2.84Å; P1005-K1008 VanDerWaalsContact O-N 3.15Å; P1005-D1082 WeakPolarHBondContact CB-O 3.46Å; P1005-T1083 WeakPolarHBondContact CG-O 3.49Å
1006	V	92.6	Very high	87.1	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.8	-31.9	-172.1	70.7	0	0	0	0	113	L993 K1008 L1009 L1014 D1082	L993-V1006 HydrophobicContact CD1-CG2 3.87Å; V1006-K1008 PolarHBondContact O-N 2.82Å; V1006-L1009 PolarHBondContact O-N 2.88Å; V1006-L1014 HydrophobicContact CG2-CD1 4.07Å; V1006-L1014 HydrophobicContact CG2-CD2 4.22Å; V1006-D1082 HydrophobicContact CG1-CB 3.83Å; V1006-D1082 PolarHBondContact N-O 3.28Å
1007	N	90.9	Very high	87.2	Confident	80 Å²	80	51.1 Å²	51.1	43%	0.428	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64.6	-4.4	-180	80.8	-15.7	0	0	0	115.2	P1005 D1082 T1083	P1005-N1007 PolarHBondContact O-N 2.92Å; P1005-N1007 VanDerWaalsContact O-N 3.17Å; N1007-D1082 WeakPolarHBondContact CB-O 3.09Å; N1007-D1082 PolarHBondContact N-O 3.44Å; N1007-D1082 VanDerWaalsContact N-O 3.1Å; N1007-T1083 HydrophobicContact CB-CG2 4.38Å; N1007-T1083 WeakPolarHBondContact ND2-CA 3.39Å; N1007-T1083 VanDerWaalsContact ND2-CB 3.31Å; N1007-T1083 WeakPolarHBondContact ND2-CB 3.26Å; N1007-T1083 WeakPolarHBondContact ND2-CG2 3.14Å
1008	K	90	Very high	87.3	Confident	130 Å²	130	51.2 Å²	51.2	57%	0.565	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-83.1	-20.5	173.1	-57.1	-56.7	-177.1	-177	0	113.4	P1005 V1006	P1005-K1008 HydrophobicContact CG-CG 4.01Å; P1005-K1008 WeakPolarHBondContact O-CB 3.04Å; P1005-K1008 WeakPolarHBondContact O-CG 3.45Å; P1005-K1008 PolarHBondContact O-N 2.84Å; P1005-K1008 VanDerWaalsContact O-N 3.15Å; V1006-K1008 PolarHBondContact O-N 2.82Å
1009	L	88.1	Confident	87	Confident	43 Å²	43	57 Å²	57	23%	0.225	29%	0.286	C	S	.	.	S	Bend	trans	-82.5	135.9	170.7	-62.2	-178	0	0	0	109.5	L1001 V1006 L1014	L1001-L1009 HydrophobicContact CD2-CD1 3.85Å; V1006-L1009 PolarHBondContact O-N 2.88Å; L1009-L1014 HydrophobicContact CB-CB 4.35Å; L1009-L1014 HydrophobicContact CD1-CD1 3.93Å
1010	S	88.9	Confident	86.8	Confident	54 Å²	54	60.7 Å²	60.7	38%	0.378	31%	0.305	S	S	.	.			trans	-67.5	155	164.8	70.7	0	0	0	0	110.4	N1012 E1013 L1014	S1010-N1012 PolarHBondContact O-N 2.87Å; S1010-N1012 VanDerWaalsContact O-N 3.13Å; S1010-E1013 WeakPolarHBondContact CB-OE2 3.29Å; S1010-E1013 PolarHBondContact N-OE2 2.82Å; S1010-E1013 PolarHBondContact O-N 2.85Å; S1010-E1013 VanDerWaalsContact OG-CD 3.27Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.2Å; S1010-E1013 PolarHBondContact OG-N 2.86Å; S1010-E1013 PolarHBondContact OG-OE2 2.9Å; S1010-L1014 PolarHBondContact O-N 2.88Å
1011	I	86.5	Confident	86.7	Confident	65 Å²	65	61.5 Å²	61.5	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-51	-40.5	178.9	-64.6	169.5	0	0	0	111.2	P988 L1014 H1015	P988-I1011 HydrophobicContact CG-CG1 4.01Å; I1011-L1014 PolarHBondContact O-N 2.94Å; I1011-H1015 WeakPolarHBondContact CG2-CE1 3.49Å; I1011-H1015 WeakPolarHBondContact CG2-NE2 3.3Å; I1011-H1015 WeakPolarHBondContact O-CB 3.32Å; I1011-H1015 PolarHBondContact O-CD2 2.87Å; I1011-H1015 VanDerWaalsContact O-CD2 3.23Å; I1011-H1015 PolarHBondContact O-N 3.03Å
1012	N	86.8	Confident	86.2	Confident	123 Å²	123	67.2 Å²	67.2	66%	0.658	33%	0.333	S	S	*	.	H	α-helix	trans	-68.8	-40.9	179.5	-65.1	-27.7	0	0	0	113	S1010 E1016	S1010-N1012 PolarHBondContact O-N 2.87Å; S1010-N1012 VanDerWaalsContact O-N 3.13Å; N1012-E1016 PolarHBondContact O-N 3.23Å; N1012-E1016 VanDerWaalsContact O-N 3.15Å
1013	E	89.6	Confident	85.7	Confident	103 Å²	103	66 Å²	66	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-37.9	176.6	-69.9	162.1	128.7	0	0	111.4	S1010 Q1017	S1010-E1013 WeakPolarHBondContact CB-OE2 3.29Å; S1010-E1013 PolarHBondContact N-OE2 2.82Å; S1010-E1013 PolarHBondContact O-N 2.85Å; S1010-E1013 VanDerWaalsContact OG-CD 3.27Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.2Å; S1010-E1013 PolarHBondContact OG-N 2.86Å; S1010-E1013 PolarHBondContact OG-OE2 2.9Å; E1013-Q1017 WeakPolarHBondContact O-CB 3.16Å; E1013-Q1017 VanDerWaalsContact O-CG 3.32Å; E1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; E1013-Q1017 PolarHBondContact O-N 2.98Å
1014	L	91.3	Very high	84.6	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-45.9	175.6	-176.4	67.2	0	0	0	111.5	P988 L993 L997 V1006 L1009 S1010 I1011 E1016 Q1017 I1018	P988-L1014 HydrophobicContact CB-CD2 3.37Å; P988-L1014 HydrophobicContact CG-CD2 3.98Å; L993-L1014 HydrophobicContact CD1-CD1 4.27Å; L993-L1014 HydrophobicContact CD2-CD1 4.03Å; L997-L1014 HydrophobicContact CD2-CD1 4.06Å; V1006-L1014 HydrophobicContact CG2-CD1 4.07Å; V1006-L1014 HydrophobicContact CG2-CD2 4.22Å; L1009-L1014 HydrophobicContact CB-CB 4.35Å; L1009-L1014 HydrophobicContact CD1-CD1 3.93Å; S1010-L1014 PolarHBondContact O-N 2.88Å; I1011-L1014 PolarHBondContact O-N 2.94Å; L1014-E1016 PolarHBondContact O-N 2.69Å; L1014-Q1017 PolarHBondContact O-N 3.34Å; L1014-I1018 HydrophobicContact CD1-CD1 4.13Å; L1014-I1018 HydrophobicContact CD1-CG1 4.4Å; L1014-I1018 HydrophobicContact CG-CD1 3.85Å; L1014-I1018 VanDerWaalsContact O-CG1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.15Å; L1014-I1018 PolarHBondContact O-N 3.24Å
1015	H	90	Very high	83	Confident	49 Å²	49	72.6 Å²	72.6	23%	0.227	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-47.6	176.9	-70.2	178.7	0	0	0	112	N958 G960 I1011 I1018 K1019	N958-H1015 PolarHBondContact O-CD2 2.9Å; N958-H1015 VanDerWaalsContact O-CD2 3.24Å; G960-H1015 PolarHBondContact N-NE2 3.02Å; I1011-H1015 WeakPolarHBondContact CG2-CE1 3.49Å; I1011-H1015 WeakPolarHBondContact CG2-NE2 3.3Å; I1011-H1015 WeakPolarHBondContact O-CB 3.32Å; I1011-H1015 PolarHBondContact O-CD2 2.87Å; I1011-H1015 VanDerWaalsContact O-CD2 3.23Å; I1011-H1015 PolarHBondContact O-N 3.03Å; H1015-I1018 PolarHBondContact O-N 3.49Å; H1015-K1019 VanDerWaalsContact O-CB 3.27Å; H1015-K1019 WeakPolarHBondContact O-CB 3.46Å; H1015-K1019 PolarHBondContact O-N 3.26Å
1016	E	87	Confident	81.4	Confident	93 Å²	93	73.2 Å²	73.2	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-68	-36.4	177.4	-73	-62.4	140	0	0	112.4	N1012 L1014 K1019 L1020	N1012-E1016 PolarHBondContact O-N 3.23Å; N1012-E1016 VanDerWaalsContact O-N 3.15Å; L1014-E1016 PolarHBondContact O-N 2.69Å; E1016-K1019 PolarHBondContact O-N 3.41Å; E1016-K1019 IonicContact OE1-NZ 3.7Å; E1016-K1019 PolarHBondContact OE1-NZ 3.14Å; E1016-K1019 IonicContact OE2-NZ 2.8Å; E1016-K1019 PolarHBondContact OE2-NZ 2.79Å; E1016-L1020 WeakPolarHBondContact O-CB 3.26Å; E1016-L1020 VanDerWaalsContact O-CG 3.27Å; E1016-L1020 WeakPolarHBondContact O-CG 3.23Å; E1016-L1020 PolarHBondContact O-N 3.5Å
1017	Q	87.7	Confident	79.8	Confident	38 Å²	38	77.5 Å²	77.5	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-66.1	-39.6	174.7	-78.6	-177.3	67.2	0	0	113.1	L997 E1013 L1014 K1019 L1020 A1021	L997-Q1017 HydrophobicContact CD1-CB 3.84Å; L997-Q1017 HydrophobicContact CD2-CB 4.42Å; E1013-Q1017 WeakPolarHBondContact O-CB 3.16Å; E1013-Q1017 VanDerWaalsContact O-CG 3.32Å; E1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; E1013-Q1017 PolarHBondContact O-N 2.98Å; L1014-Q1017 PolarHBondContact O-N 3.34Å; Q1017-K1019 VanDerWaalsContact C-N 3.35Å; Q1017-L1020 PolarHBondContact O-N 2.87Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.46Å; Q1017-A1021 PolarHBondContact O-N 2.93Å
1018	I	89.2	Confident	78.6	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-66.1	-39.5	174.1	-65.7	162.5	0	0	0	110.9	Y955 N958 L993 P994 L997 L1014 H1015 A1021 R1022	Y955-I1018 HydrophobicContact CE2-CG2 3.73Å; N958-I1018 HydrophobicContact CB-CD1 4.2Å; N958-I1018 WeakPolarHBondContact O-CD1 3.49Å; L993-I1018 HydrophobicContact CD2-CD1 3.73Å; L993-I1018 HydrophobicContact CD2-CG1 4.2Å; P994-I1018 HydrophobicContact CG-CG2 4.11Å; L997-I1018 HydrophobicContact CD2-CB 4.5Å; L997-I1018 HydrophobicContact CD2-CD1 4.46Å; L997-I1018 HydrophobicContact CD2-CG1 3.44Å; L997-I1018 VanDerWaalsContact CD2-CG1 3.44Å; L1014-I1018 HydrophobicContact CD1-CD1 4.13Å; L1014-I1018 HydrophobicContact CD1-CG1 4.4Å; L1014-I1018 HydrophobicContact CG-CD1 3.85Å; L1014-I1018 VanDerWaalsContact O-CG1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.15Å; L1014-I1018 PolarHBondContact O-N 3.24Å; H1015-I1018 PolarHBondContact O-N 3.49Å; I1018-A1021 WeakPolarHBondContact O-CB 3.32Å; I1018-A1021 PolarHBondContact O-N 2.83Å; I1018-R1022 WeakPolarHBondContact O-CG 3.22Å; I1018-R1022 PolarHBondContact O-N 2.68Å
1019	K	84.7	Confident	77.5	Confident	125 Å²	125	74.2 Å²	74.2	54%	0.543	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-40	175.7	177.3	177.7	160.5	-138.4	0	112.1	H1015 E1016 Q1017 A1021 R1022	H1015-K1019 VanDerWaalsContact O-CB 3.27Å; H1015-K1019 WeakPolarHBondContact O-CB 3.46Å; H1015-K1019 PolarHBondContact O-N 3.26Å; E1016-K1019 PolarHBondContact O-N 3.41Å; E1016-K1019 IonicContact OE1-NZ 3.7Å; E1016-K1019 PolarHBondContact OE1-NZ 3.14Å; E1016-K1019 IonicContact OE2-NZ 2.8Å; E1016-K1019 PolarHBondContact OE2-NZ 2.79Å; Q1017-K1019 VanDerWaalsContact C-N 3.35Å; K1019-A1021 VanDerWaalsContact C-N 3.34Å; K1019-R1022 PolarHBondContact O-N 3.49Å
1020	L	83.3	Confident	76.4	Confident	79 Å²	79	77 Å²	77	41%	0.414	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-31.5	171.3	-73.4	168.5	0	0	0	112.8	E1016 Q1017 R1022 S1023 S1026 F1029	E1016-L1020 WeakPolarHBondContact O-CB 3.26Å; E1016-L1020 VanDerWaalsContact O-CG 3.27Å; E1016-L1020 WeakPolarHBondContact O-CG 3.23Å; E1016-L1020 PolarHBondContact O-N 3.5Å; Q1017-L1020 PolarHBondContact O-N 2.87Å; L1020-R1022 VanDerWaalsContact C-N 3.31Å; L1020-S1023 PolarHBondContact O-N 3.24Å; L1020-S1026 VanDerWaalsContact O-CB 3.22Å; L1020-S1026 WeakPolarHBondContact O-CB 3.15Å; L1020-S1026 PolarHBondContact O-OG 3.34Å; L1020-F1029 HydrophobicContact CB-CE2 4Å
1021	A	79.8	Confident	75.3	Confident	22 Å²	22	79.1 Å²	79.1	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-72.7	-21.7	177.2	0	0	0	0	0	113.3	P994 I996 Q1017 I1018 K1019 F1029	P994-A1021 HydrophobicContact CB-CB 4.03Å; P994-A1021 HydrophobicContact CG-CB 4.01Å; I996-A1021 HydrophobicContact CG2-CB 3.6Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.46Å; Q1017-A1021 PolarHBondContact O-N 2.93Å; I1018-A1021 WeakPolarHBondContact O-CB 3.32Å; I1018-A1021 PolarHBondContact O-N 2.83Å; K1019-A1021 VanDerWaalsContact C-N 3.34Å; A1021-F1029 HydrophobicContact CB-CD2 4.34Å; A1021-F1029 HydrophobicContact CB-CE2 3.87Å
1022	R	74	Confident	74.4	Confident	139 Å²	139	78.8 Å²	78.8	53%	0.525	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.5	177	-66.5	167.5	95.3	146.8	8.8	113.9	Y955 I1018 K1019 L1020	Y955-R1022 WeakPolarHBondContact OH-CD 3.5Å; Y955-R1022 WeakPolarHBondContact OH-CG 3.27Å; Y955-R1022 PolarHBondContact OH-NE 3.14Å; Y955-R1022 VanDerWaalsContact OH-NE 3.08Å; Y955-R1022 PolarHBondContact OH-NH1 3.26Å; I1018-R1022 WeakPolarHBondContact O-CG 3.22Å; I1018-R1022 PolarHBondContact O-N 2.68Å; K1019-R1022 PolarHBondContact O-N 3.49Å; L1020-R1022 VanDerWaalsContact C-N 3.31Å
1023	S	67.3	Low	73.4	Confident	63 Å²	63	74.2 Å²	74.2	44%	0.441	36%	0.361	S	S	.	.			trans	-97.7	125	-179	-170.1	0	0	0	0	111.8	L1020 N1025 S1026	L1020-S1023 PolarHBondContact O-N 3.24Å; S1023-N1025 PolarHBondContact O-N 3.05Å; S1023-N1025 VanDerWaalsContact O-N 3.08Å; S1023-S1026 WeakPolarHBondContact O-CB 3.43Å; S1023-S1026 PolarHBondContact O-N 2.94Å
1024	E	53.9	Low	72.2	Confident	178 Å²	178	73.4 Å²	73.4	83%	0.832	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.9	177.9	-61	174.5	170.9	0	0	113.1	K1030	E1024-K1030 PolarHBondContact O-NZ 2.62Å
1025	N	50.9	Low	70.9	Confident	131 Å²	131	76.8 Å²	76.8	70%	0.701	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	30.9	178.7	-75	-29.1	0	0	0	113.8	S1023 D1027	S1023-N1025 PolarHBondContact O-N 3.05Å; S1023-N1025 VanDerWaalsContact O-N 3.08Å; N1025-D1027 PolarHBondContact O-N 2.99Å
1026	S	56.2	Low	69.4	Low	15 Å²	15	75.1 Å²	75.1	11%	0.105	38%	0.382	C	S	.	.			trans	-76.2	66.6	175.2	-152	0	0	0	0	112.9	L1020 S1023 Y1028 F1029 K1030	L1020-S1026 VanDerWaalsContact O-CB 3.22Å; L1020-S1026 WeakPolarHBondContact O-CB 3.15Å; L1020-S1026 PolarHBondContact O-OG 3.34Å; S1023-S1026 WeakPolarHBondContact O-CB 3.43Å; S1023-S1026 PolarHBondContact O-N 2.94Å; S1026-Y1028 PolarHBondContact O-N 3.17Å; S1026-F1029 PolarHBondContact O-N 2.99Å; S1026-F1029 VanDerWaalsContact O-N 3.15Å; S1026-F1029 VanDerWaalsContact OG-CD2 3.31Å; S1026-F1029 WeakPolarHBondContact OG-CD2 3.3Å; S1026-K1030 PolarHBondContact O-N 3.32Å; S1026-K1030 VanDerWaalsContact O-N 3.11Å
1027	D	60.5	Low	67.9	Low	95 Å²	95	74.8 Å²	74.8	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-20.8	173.9	-71.7	-11.9	0	0	0	112.1	N1025 K1030 T1031	N1025-D1027 PolarHBondContact O-N 2.99Å; D1027-K1030 WeakPolarHBondContact OD1-CD 3.42Å; D1027-K1030 IonicContact OD1-NZ 3.06Å; D1027-K1030 PolarHBondContact OD1-NZ 2.93Å; D1027-K1030 VanDerWaalsContact OD1-NZ 3.13Å; D1027-T1031 VanDerWaalsContact O-CB 3.22Å; D1027-T1031 WeakPolarHBondContact O-CB 3.2Å; D1027-T1031 PolarHBondContact O-N 3.26Å; D1027-T1031 PolarHBondContact O-OG1 3.08Å
1028	Y	66.2	Low	66.4	Low	137 Å²	137	80 Å²	80	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-57	-55.1	168.5	177.2	-97.8	0	0	0	111.8	S1026 T1031 K1032	S1026-Y1028 PolarHBondContact O-N 3.17Å; Y1028-T1031 PolarHBondContact O-N 3.45Å; Y1028-K1032 PolarHBondContact O-N 2.88Å
1029	F	65.5	Low	64.6	Low	3 Å²	3	88.5 Å²	88.5	1%	0.013	45%	0.447	C	S	.	.	H	α-helix	trans	-70.2	-37.1	178.3	-74.8	-56.5	0	0	0	111.9	I996 L997 S1000 L1020 A1021 S1026 T1031 K1032 L1033	I996-F1029 HydrophobicContact CG1-CB 3.82Å; I996-F1029 HydrophobicContact CG1-CG 4.2Å; I996-F1029 HydrophobicContact CG2-CD2 4.4Å; L997-F1029 HydrophobicContact CD1-CE1 4.47Å; L997-F1029 HydrophobicContact CD1-CZ 4.19Å; S1000-F1029 WeakPolarHBondContact OG-CE1 3.43Å; L1020-F1029 HydrophobicContact CB-CE2 4Å; A1021-F1029 HydrophobicContact CB-CD2 4.34Å; A1021-F1029 HydrophobicContact CB-CE2 3.87Å; S1026-F1029 PolarHBondContact O-N 2.99Å; S1026-F1029 VanDerWaalsContact O-N 3.15Å; S1026-F1029 VanDerWaalsContact OG-CD2 3.31Å; S1026-F1029 WeakPolarHBondContact OG-CD2 3.3Å; F1029-T1031 PolarHBondContact O-N 2.96Å; F1029-K1032 PolarHBondContact O-N 2.9Å; F1029-L1033 HydrophobicContact CB-CD1 4.43Å; F1029-L1033 WeakPolarHBondContact O-CB 3.38Å; F1029-L1033 WeakPolarHBondContact O-CD1 3.18Å; F1029-L1033 PolarHBondContact O-N 2.85Å
1030	K	65.3	Low	63.1	Low	103 Å²	103	88.6 Å²	88.6	45%	0.448	45%	0.448	S	S	.	.	H	α-helix	trans	-58.7	-46.6	173.5	-64.2	174.8	-163.7	153	0	111.3	E1024 S1026 D1027 L1033 C1034	E1024-K1030 PolarHBondContact O-NZ 2.62Å; S1026-K1030 PolarHBondContact O-N 3.32Å; S1026-K1030 VanDerWaalsContact O-N 3.11Å; D1027-K1030 WeakPolarHBondContact OD1-CD 3.42Å; D1027-K1030 IonicContact OD1-NZ 3.06Å; D1027-K1030 PolarHBondContact OD1-NZ 2.93Å; D1027-K1030 VanDerWaalsContact OD1-NZ 3.13Å; K1030-L1033 PolarHBondContact O-N 2.89Å; K1030-C1034 WeakPolarHBondContact O-CB 3.21Å; K1030-C1034 PolarHBondContact O-N 3.29Å; K1030-C1034 PolarHBondContact O-SG 2.92Å
1031	T	65.6	Low	61.6	Low	97 Å²	97	88 Å²	88	60%	0.595	45%	0.449	S	S	*	.	H	α-helix	trans	-63.6	-44.7	178	-56.7	0	0	0	0	111.5	D1027 Y1028 F1029 C1034 S1035	D1027-T1031 VanDerWaalsContact O-CB 3.22Å; D1027-T1031 WeakPolarHBondContact O-CB 3.2Å; D1027-T1031 PolarHBondContact O-N 3.26Å; D1027-T1031 PolarHBondContact O-OG1 3.08Å; Y1028-T1031 PolarHBondContact O-N 3.45Å; F1029-T1031 PolarHBondContact O-N 2.96Å; T1031-C1034 PolarHBondContact O-N 3.1Å; T1031-S1035 PolarHBondContact O-N 3.11Å; T1031-S1035 VanDerWaalsContact O-N 3.15Å
1032	K	67.7	Low	60.5	Low	58 Å²	58	90.4 Å²	90.4	25%	0.252	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-38.7	178.2	-164.4	179.2	-178.6	-168.2	0	112.3	S1000 E1002 Y1028 F1029 S1035 L1036	S1000-K1032 PolarHBondContact O-NZ 3.18Å; E1002-K1032 WeakPolarHBondContact OE1-CE 3.42Å; E1002-K1032 IonicContact OE1-NZ 3.52Å; E1002-K1032 PolarHBondContact OE1-NZ 2.92Å; Y1028-K1032 PolarHBondContact O-N 2.88Å; F1029-K1032 PolarHBondContact O-N 2.9Å; K1032-S1035 PolarHBondContact O-OG 3.06Å; K1032-L1036 WeakPolarHBondContact O-CD1 3.27Å; K1032-L1036 WeakPolarHBondContact O-CG 3.02Å; K1032-L1036 PolarHBondContact O-N 3.33Å
1033	L	65.3	Low	60.5	Low	28 Å²	28	86.1 Å²	86.1	15%	0.147	44%	0.441	C	S	.	.	H	α-helix	trans	-72.1	-36.4	174.4	-86.9	85.5	0	0	0	112.4	I996 L999 F1029 K1030 S1035 L1036 V1037 C1143	I996-L1033 HydrophobicContact CD1-CD1 3.74Å; I996-L1033 HydrophobicContact CD1-CD2 3.57Å; I996-L1033 HydrophobicContact CD1-CG 4.29Å; I996-L1033 HydrophobicContact CG1-CD1 4.03Å; L999-L1033 HydrophobicContact CB-CD2 4.37Å; L999-L1033 HydrophobicContact CD1-CD2 4.01Å; F1029-L1033 HydrophobicContact CB-CD1 4.43Å; F1029-L1033 WeakPolarHBondContact O-CB 3.38Å; F1029-L1033 WeakPolarHBondContact O-CD1 3.18Å; F1029-L1033 PolarHBondContact O-N 2.85Å; K1030-L1033 PolarHBondContact O-N 2.89Å; L1033-S1035 VanDerWaalsContact C-N 3.28Å; L1033-S1035 PolarHBondContact O-N 3.28Å; L1033-L1036 CarbonylContact O-C 3.51Å; L1033-L1036 WeakPolarHBondContact O-CA 3.35Å; L1033-L1036 WeakPolarHBondContact O-CB 3.48Å; L1033-L1036 PolarHBondContact O-N 2.67Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.32Å; L1033-V1037 PolarHBondContact O-N 2.79Å; L1033-C1143 HydrophobicContact CD2-CB 4.39Å
1034	C	65.1	Low	61.5	Low	86 Å²	86	84 Å²	84	58%	0.581	43%	0.425	S	S	*	.	H	α-helix	trans	-58.3	-39.8	174.1	-74.8	0	0	0	0	112	K1030 T1031 L1036 V1037	K1030-C1034 WeakPolarHBondContact O-CB 3.21Å; K1030-C1034 PolarHBondContact O-N 3.29Å; K1030-C1034 PolarHBondContact O-SG 2.92Å; T1031-C1034 PolarHBondContact O-N 3.1Å; C1034-L1036 PolarHBondContact O-N 2.79Å; C1034-V1037 PolarHBondContact O-N 3.19Å
1035	S	64.7	Low	63.3	Low	73 Å²	73	75.6 Å²	75.6	51%	0.51	39%	0.386	S	S	.	.	H	α-helix	trans	-72.4	-8.9	174.7	65.2	0	0	0	0	114.7	T1031 K1032 L1033	T1031-S1035 PolarHBondContact O-N 3.11Å; T1031-S1035 VanDerWaalsContact O-N 3.15Å; K1032-S1035 PolarHBondContact O-OG 3.06Å; L1033-S1035 VanDerWaalsContact C-N 3.28Å; L1033-S1035 PolarHBondContact O-N 3.28Å
1036	L	57.9	Low	65.2	Low	13 Å²	13	70.1 Å²	70.1	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-98.8	-25.9	173.6	-67.8	167.4	0	0	0	112.7	E1002 K1032 L1033 C1034 D1038 R1039	E1002-L1036 HydrophobicContact CG-CD1 4.28Å; E1002-L1036 HydrophobicContact CG-CD2 4.17Å; K1032-L1036 WeakPolarHBondContact O-CD1 3.27Å; K1032-L1036 WeakPolarHBondContact O-CG 3.02Å; K1032-L1036 PolarHBondContact O-N 3.33Å; L1033-L1036 CarbonylContact O-C 3.51Å; L1033-L1036 WeakPolarHBondContact O-CA 3.35Å; L1033-L1036 WeakPolarHBondContact O-CB 3.48Å; L1033-L1036 PolarHBondContact O-N 2.67Å; C1034-L1036 PolarHBondContact O-N 2.79Å; L1036-D1038 VanDerWaalsContact C-N 3.25Å; L1036-D1038 PolarHBondContact O-N 2.72Å; L1036-R1039 WeakPolarHBondContact O-CB 3.19Å; L1036-R1039 PolarHBondContact O-N 3.06Å
1037	V	55.7	Low	67	Low	87 Å²	87	69.4 Å²	69.4	53%	0.527	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-27.9	177.6	167.5	0	0	0	0	112.5	L1033 C1034 R1039	L1033-V1037 WeakPolarHBondContact O-CG2 3.32Å; L1033-V1037 PolarHBondContact O-N 2.79Å; C1034-V1037 PolarHBondContact O-N 3.19Å; V1037-R1039 PolarHBondContact O-N 2.92Å; V1037-R1039 VanDerWaalsContact O-N 3.1Å
1038	D	55.3	Low	68.6	Low	147 Å²	147	64.9 Å²	64.9	79%	0.786	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-2	170.9	-73.2	-29.8	0	0	0	113.7	L1036	L1036-D1038 VanDerWaalsContact C-N 3.25Å; L1036-D1038 PolarHBondContact O-N 2.72Å
1039	R	52.3	Low	69.9	Low	180 Å²	180	63.1 Å²	63.1	68%	0.679	32%	0.322	S	S	*	.	S	Bend	trans	-124.7	86.3	-174.5	-64.6	-178.2	173	-175.2	-1.5	112.9	L1036 V1037	L1036-R1039 WeakPolarHBondContact O-CB 3.19Å; L1036-R1039 PolarHBondContact O-N 3.06Å; V1037-R1039 PolarHBondContact O-N 2.92Å; V1037-R1039 VanDerWaalsContact O-N 3.1Å
1040	K	52.8	Low	71.2	Confident	127 Å²	127	63.5 Å²	63.5	55%	0.552	32%	0.324	S	S	*	.			trans	68.6	145.9	-177.3	-66.6	-171.1	176.1	-177.3	0	114.1	F1042 H1228	K1040-F1042 VanDerWaalsContact C-N 3.34Å; K1040-F1042 PolarHBondContact O-N 3.47Å; K1040-H1228 PolarHBondContact NZ-O 3.24Å
1041	P	52.1	Low	72.6	Confident	67 Å²	67	58.6 Å²	58.6	44%	0.435	30%	0.302	S	S	.	.	S	Bend	trans	-75.2	-10.4	-169.1	28	-35.3	0	0	0	116.3	T1225	P1041-T1225 HydrophobicContact CG-CG2 4.45Å; P1041-T1225 WeakPolarHBondContact CG-OG1 3.12Å
1042	F	55.5	Low	74	Confident	71 Å²	71	54 Å²	54	31%	0.311	27%	0.274	S	S	.	.			trans	-127.5	78	-175.4	-62.4	-69.1	0	0	0	111.9	K1040 V1044	K1040-F1042 VanDerWaalsContact C-N 3.34Å; K1040-F1042 PolarHBondContact O-N 3.47Å; F1042-V1044 PolarHBondContact O-N 3.08Å
1043	H	75.6	Confident	75.2	Confident	50 Å²	50	54.2 Å²	54.2	23%	0.231	28%	0.278	C	S	.	.			trans	-82.5	109.3	174.1	-157.6	-65.1	0	0	0	110.4	L999	L999-H1043 VanDerWaalsContact CD2-ND1 3.31Å; L999-H1043 WeakPolarHBondContact CD2-ND1 3.29Å; L999-H1043 WeakPolarHBondContact CD2-O 3.5Å
1044	V	87.9	Confident	76.6	Confident	19 Å²	19	53.5 Å²	53.5	12%	0.115	27%	0.274	C	S	.	.			trans	-124.1	159.5	177.1	-66.6	0	0	0	0	110.5	F1042 F1049 L1147 Y1150	F1042-V1044 PolarHBondContact O-N 3.08Å; V1044-F1049 HydrophobicContact CG2-CB 4.36Å; V1044-L1147 HydrophobicContact CG1-CD1 4.44Å; V1044-Y1150 HydrophobicContact CB-CD1 4.5Å; V1044-Y1150 HydrophobicContact CG1-CD1 4.13Å; V1044-Y1150 HydrophobicContact CG1-CD2 4.45Å; V1044-Y1150 HydrophobicContact CG1-CG 3.88Å; V1044-Y1150 HydrophobicContact CG2-CD1 4.21Å; V1044-Y1150 HydrophobicContact CG2-CD2 4.32Å; V1044-Y1150 HydrophobicContact CG2-CE1 4.19Å; V1044-Y1150 HydrophobicContact CG2-CE2 4.31Å; V1044-Y1150 HydrophobicContact CG2-CG 4.28Å
1045	P	91.1	Very high	78	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.246	C	C	.	.			trans	-56.4	138.5	176.4	-28.9	38.9	0	0	0	112.9	L995 L998 L999 E1047 I1048 F1049	L995-P1045 HydrophobicContact CD1-CG 3.52Å; L998-P1045 HydrophobicContact CB-CB 4.03Å; L998-P1045 HydrophobicContact CB-CG 4.03Å; L998-P1045 HydrophobicContact CD1-CG 4.49Å; L999-P1045 HydrophobicContact CD2-CG 4.22Å; L999-P1045 HydrophobicContact CG-CG 4.28Å; P1045-E1047 WeakPolarHBondContact CB-OE2 3.29Å; P1045-E1047 PolarHBondContact O-N 2.87Å; P1045-I1048 HydrophobicContact CB-CB 4.35Å; P1045-I1048 HydrophobicContact CB-CD1 4.15Å; P1045-I1048 HydrophobicContact CB-CG1 4.13Å; P1045-I1048 HydrophobicContact CG-CD1 3.9Å; P1045-I1048 HydrophobicContact CG-CG1 4.43Å; P1045-I1048 PolarHBondContact O-N 3.45Å; P1045-F1049 PolarHBondContact O-N 3.3Å
1046	K	90.7	Very high	79.4	Confident	16 Å²	16	48.4 Å²	48.4	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-30.8	179	65.8	174.9	179	-58.8	0	112.1	E1004 F1049 R1050 A1086	E1004-K1046 WeakPolarHBondContact O-CE 3.39Å; E1004-K1046 PolarHBondContact O-NZ 3.46Å; K1046-F1049 PolarHBondContact O-N 2.87Å; K1046-R1050 WeakPolarHBondContact O-CB 3.48Å; K1046-R1050 WeakPolarHBondContact O-CD 3.41Å; K1046-R1050 WeakPolarHBondContact O-CG 3.15Å; K1046-R1050 PolarHBondContact O-N 3.37Å; K1046-A1086 HydrophobicContact CB-CB 4.23Å; K1046-A1086 HydrophobicContact CD-CB 3.94Å
1047	E	94.5	Very high	81.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-47.9	-178.9	-58.2	75.3	-165.4	0	0	110.4	P1045 R1050 L1051 L1081 F1106	P1045-E1047 WeakPolarHBondContact CB-OE2 3.29Å; P1045-E1047 PolarHBondContact O-N 2.87Å; E1047-R1050 PolarHBondContact O-N 2.94Å; E1047-L1051 WeakPolarHBondContact O-CG 3.36Å; E1047-L1051 PolarHBondContact O-N 2.96Å; E1047-L1051 VanDerWaalsContact O-N 3.13Å; E1047-L1081 HydrophobicContact CB-CD2 4.02Å; E1047-L1081 HydrophobicContact CG-CD2 4.35Å; E1047-F1106 HydrophobicContact CB-CE1 4.44Å; E1047-F1106 HydrophobicContact CB-CE2 3.75Å; E1047-F1106 HydrophobicContact CB-CZ 3.66Å; E1047-F1106 HydrophobicContact CG-CE2 4.17Å; E1047-F1106 HydrophobicContact CG-CZ 4.11Å
1048	I	94.4	Very high	82.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-41.6	175.5	-60.3	177.9	0	0	0	110.2	P1045 L1051 V1052 L1103 F1106 L1107 L1147 Y1150 L1151	P1045-I1048 HydrophobicContact CB-CB 4.35Å; P1045-I1048 HydrophobicContact CB-CD1 4.15Å; P1045-I1048 HydrophobicContact CB-CG1 4.13Å; P1045-I1048 HydrophobicContact CG-CD1 3.9Å; P1045-I1048 HydrophobicContact CG-CG1 4.43Å; P1045-I1048 PolarHBondContact O-N 3.45Å; I1048-L1051 PolarHBondContact O-N 3.47Å; I1048-V1052 HydrophobicContact CG2-CG2 4.3Å; I1048-V1052 WeakPolarHBondContact O-CB 3.41Å; I1048-V1052 WeakPolarHBondContact O-CG2 3.5Å; I1048-V1052 PolarHBondContact O-N 2.86Å; I1048-L1103 HydrophobicContact CG2-CD1 4.11Å; I1048-F1106 HydrophobicContact CD1-CD1 4.13Å; I1048-F1106 HydrophobicContact CD1-CE1 3.99Å; I1048-F1106 HydrophobicContact CG1-CD1 3.79Å; I1048-F1106 HydrophobicContact CG1-CE1 3.71Å; I1048-L1107 HydrophobicContact CD1-CD2 3.83Å; I1048-L1147 HydrophobicContact CD1-CD1 3.73Å; I1048-L1147 HydrophobicContact CD1-CD2 4.18Å; I1048-L1147 HydrophobicContact CG2-CD1 4.1Å; I1048-Y1150 HydrophobicContact CG2-CE1 4.35Å; I1048-L1151 HydrophobicContact CG2-CD2 4.1Å
1049	F	92.1	Very high	84.8	Confident	100 Å²	100	47 Å²	47	44%	0.439	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-46.2	175.1	177.9	-89.9	0	0	0	112.1	V1044 P1045 K1046 V1052 N1053 Y1150	V1044-F1049 HydrophobicContact CG2-CB 4.36Å; P1045-F1049 PolarHBondContact O-N 3.3Å; K1046-F1049 PolarHBondContact O-N 2.87Å; F1049-V1052 PolarHBondContact O-N 3.11Å; F1049-N1053 HydrophobicContact CE1-CB 4.18Å; F1049-N1053 HydrophobicContact CZ-CB 4.36Å; F1049-N1053 WeakPolarHBondContact O-CB 3.34Å; F1049-N1053 PolarHBondContact O-N 2.9Å; F1049-Y1150 HydrophobicContact CD2-CE2 4.44Å; F1049-Y1150 WeakPolarHBondContact CD2-OH 3.33Å
1050	R	93.2	Very high	86.8	Confident	11 Å²	11	42 Å²	42	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-48.6	178.8	-73.8	166.5	82.5	-178.3	7.3	111.6	K1046 E1047 N1053 H1054 I1080 L1081 T1084 C1088 F1090	K1046-R1050 WeakPolarHBondContact O-CB 3.48Å; K1046-R1050 WeakPolarHBondContact O-CD 3.41Å; K1046-R1050 WeakPolarHBondContact O-CG 3.15Å; K1046-R1050 PolarHBondContact O-N 3.37Å; E1047-R1050 PolarHBondContact O-N 2.94Å; R1050-N1053 PolarHBondContact O-N 3.22Å; R1050-H1054 WeakPolarHBondContact O-CB 3.38Å; R1050-H1054 PolarHBondContact O-N 2.98Å; R1050-I1080 PolarHBondContact NH1-O 2.74Å; R1050-I1080 VanDerWaalsContact NH2-CG2 3.29Å; R1050-L1081 HydrophobicContact CB-CD2 4.3Å; R1050-T1084 PolarHBondContact NH1-O 2.95Å; R1050-T1084 VanDerWaalsContact NH1-O 3.12Å; R1050-T1084 PolarHBondContact NH1-OG1 3.2Å; R1050-T1084 PolarHBondContact NH2-OG1 2.69Å; R1050-C1088 PolarHBondContact NH2-O 2.98Å; R1050-F1090 HydrophobicContact CB-CE2 4.06Å; R1050-F1090 HydrophobicContact CB-CZ 4.25Å
1051	L	95.8	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-48.6	177.7	-67.5	170.2	0	0	0	111.2	E1047 I1048 H1054 I1055 I1077 L1081 F1090 I1099 C1102 L1103 F1106	E1047-L1051 WeakPolarHBondContact O-CG 3.36Å; E1047-L1051 PolarHBondContact O-N 2.96Å; E1047-L1051 VanDerWaalsContact O-N 3.13Å; I1048-L1051 PolarHBondContact O-N 3.47Å; L1051-H1054 PolarHBondContact O-N 2.78Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.15Å; L1051-I1055 VanDerWaalsContact O-CG1 3.27Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.27Å; L1051-I1055 PolarHBondContact O-N 2.94Å; L1051-I1077 HydrophobicContact CD2-CG2 3.8Å; L1051-L1081 HydrophobicContact CD1-CD1 4.02Å; L1051-L1081 HydrophobicContact CD2-CD1 4.23Å; L1051-L1081 HydrophobicContact CG-CD1 4.19Å; L1051-F1090 HydrophobicContact CD2-CE2 4.39Å; L1051-F1090 HydrophobicContact CD2-CZ 3.9Å; L1051-I1099 HydrophobicContact CB-CG2 4.41Å; L1051-I1099 HydrophobicContact CD2-CD1 4.39Å; L1051-I1099 HydrophobicContact CD2-CG2 3.85Å; L1051-C1102 HydrophobicContact CD2-CB 4.18Å; L1051-L1103 HydrophobicContact CB-CB 4.37Å; L1051-L1103 HydrophobicContact CB-CD1 4.29Å; L1051-L1103 HydrophobicContact CD1-CB 4.34Å; L1051-L1103 HydrophobicContact CD1-CD1 4.35Å; L1051-F1106 HydrophobicContact CD1-CB 4.39Å
1052	V	95.4	Very high	90.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-41.1	179.8	166.8	0	0	0	0	112.4	I1048 F1049 H1054 I1055 N1056 L1103 Y1150 L1151 F1154	I1048-V1052 HydrophobicContact CG2-CG2 4.3Å; I1048-V1052 WeakPolarHBondContact O-CB 3.41Å; I1048-V1052 WeakPolarHBondContact O-CG2 3.5Å; I1048-V1052 PolarHBondContact O-N 2.86Å; F1049-V1052 PolarHBondContact O-N 3.11Å; V1052-H1054 VanDerWaalsContact C-N 3.35Å; V1052-H1054 PolarHBondContact O-N 2.96Å; V1052-I1055 PolarHBondContact O-N 3.04Å; V1052-N1056 WeakPolarHBondContact CG1-ND2 3.23Å; V1052-N1056 PolarHBondContact O-N 3.39Å; V1052-N1056 PolarHBondContact O-ND2 2.84Å; V1052-L1103 HydrophobicContact CG2-CD1 4.08Å; V1052-L1103 HydrophobicContact CG2-CD2 3.75Å; V1052-Y1150 HydrophobicContact CB-CE1 3.98Å; V1052-Y1150 HydrophobicContact CG1-CE1 3.83Å; V1052-Y1150 VanDerWaalsContact CG1-OH 3.29Å; V1052-Y1150 WeakPolarHBondContact CG1-OH 3.27Å; V1052-Y1150 HydrophobicContact CG2-CE1 4.02Å; V1052-L1151 HydrophobicContact CG2-CD2 4.09Å; V1052-F1154 HydrophobicContact CG1-CB 3.97Å; V1052-F1154 HydrophobicContact CG1-CD1 4.19Å; V1052-F1154 HydrophobicContact CG1-CD2 3.58Å; V1052-F1154 HydrophobicContact CG1-CE2 4.06Å; V1052-F1154 HydrophobicContact CG1-CG 3.63Å; V1052-F1154 HydrophobicContact CG2-CD1 3.99Å; V1052-F1154 HydrophobicContact CG2-CE1 4.12Å; V1052-F1154 HydrophobicContact CG2-CG 4.28Å
1053	N	92.3	Very high	92.4	Very high	62 Å²	62	40.5 Å²	40.5	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-44.9	176.6	-177.1	83.4	0	0	0	111.1	F1049 R1050 I1055 N1056 E1057	F1049-N1053 HydrophobicContact CE1-CB 4.18Å; F1049-N1053 HydrophobicContact CZ-CB 4.36Å; F1049-N1053 WeakPolarHBondContact O-CB 3.34Å; F1049-N1053 PolarHBondContact O-N 2.9Å; R1050-N1053 PolarHBondContact O-N 3.22Å; N1053-I1055 PolarHBondContact O-N 3.36Å; N1053-N1056 CarbonylContact O-C 3.6Å; N1053-N1056 WeakPolarHBondContact O-CA 3.35Å; N1053-N1056 WeakPolarHBondContact O-CB 3.33Å; N1053-N1056 PolarHBondContact O-N 3.38Å; N1053-E1057 PolarHBondContact ND2-OE1 2.87Å; N1053-E1057 PolarHBondContact O-N 2.95Å
1054	H	94	Very high	93.2	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-33.9	179.2	-166.9	59.3	0	0	0	112.8	R1050 L1051 V1052 N1056 E1057 Y1058 F1090	R1050-H1054 WeakPolarHBondContact O-CB 3.38Å; R1050-H1054 PolarHBondContact O-N 2.98Å; L1051-H1054 PolarHBondContact O-N 2.78Å; V1052-H1054 VanDerWaalsContact C-N 3.35Å; V1052-H1054 PolarHBondContact O-N 2.96Å; H1054-N1056 VanDerWaalsContact C-N 3.3Å; H1054-N1056 PolarHBondContact O-N 3.28Å; H1054-E1057 IonicContact CE1-OE2 3.8Å; H1054-E1057 IonicContact CG-OE2 2.91Å; H1054-E1057 IonicContact ND1-OE2 2.8Å; H1054-E1057 PolarHBondContact ND1-OE2 3.48Å; H1054-E1057 WeakPolarHBondContact O-CB 3.43Å; H1054-E1057 PolarHBondContact O-N 3.02Å; H1054-Y1058 AromaticContact CE1-CD2 3.97Å; H1054-Y1058 AromaticContact CE1-CE2 3.5Å; H1054-Y1058 VanDerWaalsContact CE1-CE2 3.5Å; H1054-Y1058 WeakPolarHBondContact CE1-CE2 3.38Å; H1054-Y1058 AromaticContact ND1-CE2 3.93Å; H1054-Y1058 WeakPolarHBondContact O-CD2 3.43Å; H1054-Y1058 PolarHBondContact O-N 3.29Å; H1054-F1090 HydrophobicContact CB-CD2 3.82Å; H1054-F1090 HydrophobicContact CB-CE2 4.18Å; H1054-F1090 AromaticContact CD2-CD2 3.72Å; H1054-F1090 AromaticContact CG-CD2 3.74Å
1055	I	95.6	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-32.4	169.3	-58.1	154.9	0	0	0	111.1	L1051 V1052 N1053 Y1058 I1059 L1064 F1065 V1096 I1099 T1100 L1103 F1154	L1051-I1055 WeakPolarHBondContact O-CD1 3.15Å; L1051-I1055 VanDerWaalsContact O-CG1 3.27Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.27Å; L1051-I1055 PolarHBondContact O-N 2.94Å; V1052-I1055 PolarHBondContact O-N 3.04Å; N1053-I1055 PolarHBondContact O-N 3.36Å; I1055-Y1058 CarbonylContact O-C 3.6Å; I1055-Y1058 PolarHBondContact O-N 2.9Å; I1055-I1059 VanDerWaalsContact O-CA 3.25Å; I1055-I1059 WeakPolarHBondContact O-CA 3.2Å; I1055-I1059 WeakPolarHBondContact O-CB 3.02Å; I1055-I1059 PolarHBondContact O-N 2.9Å; I1055-L1064 HydrophobicContact CG2-CD1 4.24Å; I1055-F1065 HydrophobicContact CD1-CZ 4.46Å; I1055-V1096 HydrophobicContact CB-CG2 4.43Å; I1055-V1096 HydrophobicContact CG1-CG2 4.17Å; I1055-V1096 HydrophobicContact CG2-CG2 4.34Å; I1055-I1099 HydrophobicContact CD1-CG2 4.06Å; I1055-I1099 HydrophobicContact CG1-CB 4.44Å; I1055-I1099 HydrophobicContact CG1-CG2 3.69Å; I1055-T1100 HydrophobicContact CD1-CG2 3.79Å; I1055-T1100 HydrophobicContact CG1-CG2 3.89Å; I1055-T1100 HydrophobicContact CG2-CG2 4.05Å; I1055-L1103 HydrophobicContact CD1-CB 4.31Å; I1055-L1103 HydrophobicContact CD1-CD2 3.73Å; I1055-F1154 HydrophobicContact CB-CE2 4.09Å; I1055-F1154 HydrophobicContact CB-CZ 3.93Å; I1055-F1154 HydrophobicContact CD1-CZ 3.99Å; I1055-F1154 HydrophobicContact CG2-CE2 3.92Å; I1055-F1154 HydrophobicContact CG2-CZ 3.69Å
1056	N	93.3	Very high	93	Very high	53 Å²	53	43.9 Å²	43.9	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-67.8	-31.8	173.7	-75.2	-58.2	0	0	0	113	V1052 N1053 H1054 Y1058 I1059	V1052-N1056 WeakPolarHBondContact CG1-ND2 3.23Å; V1052-N1056 PolarHBondContact O-N 3.39Å; V1052-N1056 PolarHBondContact O-ND2 2.84Å; N1053-N1056 CarbonylContact O-C 3.6Å; N1053-N1056 WeakPolarHBondContact O-CA 3.35Å; N1053-N1056 WeakPolarHBondContact O-CB 3.33Å; N1053-N1056 PolarHBondContact O-N 3.38Å; H1054-N1056 VanDerWaalsContact C-N 3.3Å; H1054-N1056 PolarHBondContact O-N 3.28Å; N1056-Y1058 VanDerWaalsContact C-N 3.32Å; N1056-I1059 WeakPolarHBondContact O-CB 3.31Å; N1056-I1059 WeakPolarHBondContact O-CG2 3.05Å
1057	E	92.7	Very high	92.7	Very high	115 Å²	115	48.3 Å²	48.3	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-37.3	174.1	-70.7	162.4	178.4	0	0	111.5	N1053 H1054	N1053-E1057 PolarHBondContact ND2-OE1 2.87Å; N1053-E1057 PolarHBondContact O-N 2.95Å; H1054-E1057 IonicContact CE1-OE2 3.8Å; H1054-E1057 IonicContact CG-OE2 2.91Å; H1054-E1057 IonicContact ND1-OE2 2.8Å; H1054-E1057 PolarHBondContact ND1-OE2 3.48Å; H1054-E1057 WeakPolarHBondContact O-CB 3.43Å; H1054-E1057 PolarHBondContact O-N 3.02Å
1058	Y	94.4	Very high	92	Very high	91 Å²	91	55.5 Å²	55.5	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	26.8	-178.9	-65.5	-92.1	0	0	0	113.1	H1054 I1055 N1056 T1060 E1061	H1054-Y1058 AromaticContact CE1-CD2 3.97Å; H1054-Y1058 AromaticContact CE1-CE2 3.5Å; H1054-Y1058 VanDerWaalsContact CE1-CE2 3.5Å; H1054-Y1058 WeakPolarHBondContact CE1-CE2 3.38Å; H1054-Y1058 AromaticContact ND1-CE2 3.93Å; H1054-Y1058 WeakPolarHBondContact O-CD2 3.43Å; H1054-Y1058 PolarHBondContact O-N 3.29Å; I1055-Y1058 CarbonylContact O-C 3.6Å; I1055-Y1058 PolarHBondContact O-N 2.9Å; N1056-Y1058 VanDerWaalsContact C-N 3.32Å; Y1058-T1060 PolarHBondContact O-N 2.85Å; Y1058-E1061 WeakPolarHBondContact O-CB 3.46Å; Y1058-E1061 PolarHBondContact O-N 2.88Å
1059	I	94.7	Very high	91.4	Very high	11 Å²	11	56 Å²	56	6%	0.056	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9	-168.6	-160	166.2	0	0	0	115.8	I1055 N1056 R1157 F1161 N1165	I1055-I1059 VanDerWaalsContact O-CA 3.25Å; I1055-I1059 WeakPolarHBondContact O-CA 3.2Å; I1055-I1059 WeakPolarHBondContact O-CB 3.02Å; I1055-I1059 PolarHBondContact O-N 2.9Å; N1056-I1059 WeakPolarHBondContact O-CB 3.31Å; N1056-I1059 WeakPolarHBondContact O-CG2 3.05Å; I1059-R1157 HydrophobicContact CD1-CB 4.38Å; I1059-R1157 HydrophobicContact CD1-CG 3.71Å; I1059-F1161 HydrophobicContact CB-CD2 4.35Å; I1059-F1161 HydrophobicContact CD1-CD2 3.92Å; I1059-F1161 HydrophobicContact CD1-CE2 4.15Å; I1059-F1161 HydrophobicContact CG1-CD2 3.93Å; I1059-F1161 HydrophobicContact CG1-CE2 4.43Å; I1059-F1161 HydrophobicContact CG2-CD2 3.59Å; I1059-F1161 HydrophobicContact CG2-CE2 3.46Å; I1059-F1161 VanDerWaalsContact CG2-CE2 3.46Å; I1059-F1161 HydrophobicContact CG2-CG 4.28Å; I1059-F1161 HydrophobicContact CG2-CZ 4.11Å; I1059-N1165 WeakPolarHBondContact O-CB 3.34Å; I1059-N1165 PolarHBondContact O-ND2 3.39Å
1060	T	94.8	Very high	91	Very high	74 Å²	74	54.5 Å²	54.5	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.8	177.7	49.9	0	0	0	0	113.3	Y1058 F1161 Q1164	Y1058-T1060 PolarHBondContact O-N 2.85Å; T1060-F1161 HydrophobicContact CG2-CB 4.34Å; T1060-F1161 HydrophobicContact CG2-CD1 3.58Å; T1060-F1161 HydrophobicContact CG2-CE1 3.96Å; T1060-F1161 HydrophobicContact CG2-CG 4.02Å; T1060-Q1164 HydrophobicContact CG2-CB 4.31Å; T1060-Q1164 HydrophobicContact CG2-CG 4.37Å
1061	E	94.4	Very high	90.5	Very high	90 Å²	90	58.1 Å²	58.1	42%	0.421	30%	0.3	S	S	.	.	S	Bend	trans	-62.6	136.5	175.1	-163.3	65.3	-165.4	0	0	110.3	Y1058 L1064 V1096 N1165	Y1058-E1061 WeakPolarHBondContact O-CB 3.46Å; Y1058-E1061 PolarHBondContact O-N 2.88Å; E1061-L1064 HydrophobicContact CB-CD2 4.45Å; E1061-L1064 WeakPolarHBondContact O-CG 3.43Å; E1061-V1096 HydrophobicContact CB-CG1 3.93Å; E1061-V1096 HydrophobicContact CG-CG1 3.78Å; E1061-N1165 WeakPolarHBondContact O-CA 3.25Å; E1061-N1165 WeakPolarHBondContact O-CB 3.5Å
1062	P	92.3	Very high	90	Very high	68 Å²	68	62 Å²	62	44%	0.442	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	157.6	177.1	-26.3	36.2	0	0	0	113.7	L1064 H1097	P1062-L1064 PolarHBondContact O-N 3.17Å; P1062-H1097 PolarHBondContact O-CE1 3.15Å
1063	D	90.9	Very high	89.9	Confident	76 Å²	76	62.9 Å²	62.9	41%	0.406	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	30.7	169.5	-73.3	-61.6	0	0	0	116.4	F1065 R1066 Q1067 N1165	D1063-F1065 PolarHBondContact O-N 3.23Å; D1063-R1066 HydrophobicContact CB-CB 3.97Å; D1063-R1066 PolarHBondContact O-N 3.34Å; D1063-R1066 WeakPolarHBondContact OD1-CD 3.46Å; D1063-Q1067 HydrophobicContact CB-CB 4.18Å; D1063-Q1067 PolarHBondContact O-N 2.78Å; D1063-N1165 PolarHBondContact N-O 3.09Å; D1063-N1165 VanDerWaalsContact N-O 3.08Å
1064	L	91.9	Very high	89.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.7	169.8	-72.3	178.5	0	0	0	110.1	I1055 E1061 P1062 R1066 V1096 T1100 N1165 T1167	I1055-L1064 HydrophobicContact CG2-CD1 4.24Å; E1061-L1064 HydrophobicContact CB-CD2 4.45Å; E1061-L1064 WeakPolarHBondContact O-CG 3.43Å; P1062-L1064 PolarHBondContact O-N 3.17Å; L1064-R1066 PolarHBondContact O-N 3.05Å; L1064-V1096 HydrophobicContact CD2-CB 4.41Å; L1064-V1096 HydrophobicContact CD2-CG1 3.78Å; L1064-V1096 HydrophobicContact CD2-CG2 3.77Å; L1064-T1100 HydrophobicContact CD2-CG2 3.95Å; L1064-N1165 HydrophobicContact CB-CB 4.45Å; L1064-N1165 HydrophobicContact CD1-CB 3.98Å; L1064-N1165 HydrophobicContact CG-CB 4.29Å; L1064-N1165 PolarHBondContact N-O 3.04Å; L1064-T1167 HydrophobicContact CB-CG2 3.92Å; L1064-T1167 WeakPolarHBondContact O-CG2 3.44Å
1065	F	89.7	Confident	89.7	Confident	20 Å²	20	60.8 Å²	60.8	9%	0.088	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	1.6	-172.3	-51.1	-82	0	0	0	116.2	I1055 D1063 T1100 L1104 F1154 T1167 L1171 L1172 F1176	I1055-F1065 HydrophobicContact CD1-CZ 4.46Å; D1063-F1065 PolarHBondContact O-N 3.23Å; F1065-T1100 HydrophobicContact CD1-CG2 4.09Å; F1065-T1100 HydrophobicContact CD2-CG2 4.35Å; F1065-T1100 HydrophobicContact CE1-CG2 3.71Å; F1065-T1100 HydrophobicContact CE2-CG2 3.99Å; F1065-T1100 HydrophobicContact CG-CG2 4.4Å; F1065-T1100 HydrophobicContact CZ-CG2 3.65Å; F1065-L1104 HydrophobicContact CD1-CD1 4.14Å; F1065-L1104 HydrophobicContact CD1-CD2 4.24Å; F1065-L1104 HydrophobicContact CD1-CG 4.27Å; F1065-L1104 HydrophobicContact CE1-CD2 4.33Å; F1065-L1104 HydrophobicContact CE1-CG 4.42Å; F1065-F1154 HydrophobicContact CE2-CE1 4.45Å; F1065-F1154 HydrophobicContact CE2-CZ 4.27Å; F1065-F1154 AromaticContact CZ-CE1 3.85Å; F1065-F1154 HydrophobicContact CZ-CE1 3.85Å; F1065-F1154 AromaticContact CZ-CZ 3.88Å; F1065-F1154 HydrophobicContact CZ-CZ 3.88Å; F1065-T1167 HydrophobicContact CD2-CG2 4.14Å; F1065-L1171 HydrophobicContact CB-CD2 4.29Å; F1065-L1172 HydrophobicContact CB-CD2 4.31Å; F1065-L1172 HydrophobicContact CD2-CD2 3.77Å; F1065-L1172 HydrophobicContact CE2-CD2 4.35Å; F1065-L1172 HydrophobicContact CG-CD2 4.1Å; F1065-F1176 HydrophobicContact CD1-CE2 4.04Å; F1065-F1176 HydrophobicContact CD1-CZ 4.27Å; F1065-F1176 AromaticContact CE1-CE2 3.86Å; F1065-F1176 HydrophobicContact CE1-CE2 3.86Å; F1065-F1176 AromaticContact CE1-CZ 3.66Å; F1065-F1176 HydrophobicContact CE1-CZ 3.66Å; F1065-F1176 HydrophobicContact CZ-CE2 4.21Å; F1065-F1176 AromaticContact CZ-CZ 3.98Å; F1065-F1176 HydrophobicContact CZ-CZ 3.98Å
1066	R	87	Confident	89.6	Confident	122 Å²	122	64.9 Å²	64.9	46%	0.46	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-46.8	170.5	-67	-178	169.3	-79.6	-3	111.7	D1063 L1064 G1166 D1168 L1171	D1063-R1066 HydrophobicContact CB-CB 3.97Å; D1063-R1066 PolarHBondContact O-N 3.34Å; D1063-R1066 WeakPolarHBondContact OD1-CD 3.46Å; L1064-R1066 PolarHBondContact O-N 3.05Å; R1066-G1166 PolarHBondContact NE-O 3.31Å; R1066-D1168 IonicContact CZ-OD2 2.9Å; R1066-D1168 IonicContact NH2-OD2 3.55Å; R1066-D1168 PolarHBondContact NH2-OD2 3.27Å; R1066-L1171 HydrophobicContact CG-CD1 3.86Å; R1066-L1171 HydrophobicContact CG-CD2 3.59Å; R1066-L1171 HydrophobicContact CG-CG 4.38Å
1067	Q	83.9	Confident	89.8	Confident	108 Å²	108	62.3 Å²	62.3	51%	0.505	33%	0.332	S	S	.	.	S	Bend	trans	-92.7	136.1	176.1	173.4	168.4	-45	0	0	111.4	D1063 H1097	D1063-Q1067 HydrophobicContact CB-CB 4.18Å; D1063-Q1067 PolarHBondContact O-N 2.78Å; Q1067-H1097 PolarHBondContact O-ND1 3.49Å
1068	M	78.9	Confident	89.9	Confident	152 Å²	152	57 Å²	57	75%	0.749	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-83.4	142.8	169.8	-64.4	-176.5	70.6	0	0	110.6
1069	G	81.5	Confident	89.9	Confident	11 Å²	11	55.5 Å²	55.5	11%	0.113	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-82.2	167.1	174.7	0	0	0	0	0	113.7	S1071 H1097 S1098	G1069-S1071 PolarHBondContact O-N 3.32Å; G1069-H1097 PolarHBondContact N-O 3.47Å; G1069-S1098 WeakPolarHBondContact CA-OG 3.24Å
1070	P	84	Confident	89.9	Confident	68 Å²	68	55.9 Å²	55.9	44%	0.442	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-55.8	129.3	175	-25.8	35.3	0	0	0	112.8	S1072 D1073 S1098	P1070-S1072 WeakPolarHBondContact CB-OG 3.43Å; P1070-S1072 PolarHBondContact O-N 2.87Å; P1070-S1072 VanDerWaalsContact O-N 3.12Å; P1070-D1073 WeakPolarHBondContact O-CB 3.41Å; P1070-D1073 PolarHBondContact O-N 2.94Å; P1070-S1098 WeakPolarHBondContact CD-OG 3.33Å
1071	S	82.2	Confident	89.9	Confident	86 Å²	86	52.3 Å²	52.3	60%	0.601	29%	0.286	S	S	*	.	H	α-helix	trans	-65.8	-16.5	-178	-47.2	0	0	0	0	114	G1069 D1073	G1069-S1071 PolarHBondContact O-N 3.32Å; S1071-D1073 VanDerWaalsContact C-N 3.26Å; S1071-D1073 PolarHBondContact O-N 2.91Å
1072	S	86	Confident	89.9	Confident	83 Å²	83	48.4 Å²	48.4	58%	0.58	27%	0.268	S	S	*	.	H	α-helix	trans	-56.9	-38.3	169	43.5	0	0	0	0	112.9	P1070 I1074	P1070-S1072 WeakPolarHBondContact CB-OG 3.43Å; P1070-S1072 PolarHBondContact O-N 2.87Å; P1070-S1072 VanDerWaalsContact O-N 3.12Å; S1072-I1074 VanDerWaalsContact C-N 3.28Å; S1072-I1074 PolarHBondContact O-N 2.98Å
1073	D	93.1	Very high	90	Very high	18 Å²	18	48.1 Å²	48.1	10%	0.096	26%	0.264	C	S	.	.	H	α-helix	trans	-73.2	-26.8	-170.9	-59.9	11.4	0	0	0	111.1	P1070 S1071 G1075 I1076 I1077 I1094 S1095 S1098	P1070-D1073 WeakPolarHBondContact O-CB 3.41Å; P1070-D1073 PolarHBondContact O-N 2.94Å; S1071-D1073 VanDerWaalsContact C-N 3.26Å; S1071-D1073 PolarHBondContact O-N 2.91Å; D1073-G1075 VanDerWaalsContact C-N 3.28Å; D1073-G1075 PolarHBondContact O-N 2.79Å; D1073-I1076 PolarHBondContact O-N 2.81Å; D1073-I1077 HydrophobicContact CB-CD1 4.19Å; D1073-I1077 VanDerWaalsContact O-CG1 3.27Å; D1073-I1077 WeakPolarHBondContact O-CG1 3.39Å; D1073-I1077 PolarHBondContact O-N 2.82Å; D1073-I1094 HydrophobicContact CB-CG2 4.25Å; D1073-S1095 PolarHBondContact OD2-N 3.04Å; D1073-S1098 VanDerWaalsContact CB-CB 3.49Å; D1073-S1098 WeakPolarHBondContact CB-OG 3.4Å; D1073-S1098 VanDerWaalsContact CG-OG 3.31Å; D1073-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1073-S1098 PolarHBondContact OD2-OG 2.87Å
1074	I	91.3	Very high	90	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-40.5	-176.6	-60.2	175.9	0	0	0	110.9	H893 S1072 R1078 L1105	H893-I1074 HydrophobicContact CB-CG2 4.23Å; S1072-I1074 VanDerWaalsContact C-N 3.28Å; S1072-I1074 PolarHBondContact O-N 2.98Å; I1074-R1078 WeakPolarHBondContact O-CB 3.46Å; I1074-R1078 PolarHBondContact O-N 2.81Å; I1074-L1105 HydrophobicContact CG2-CD2 4.08Å
1075	G	91.9	Very high	89.8	Confident	15 Å²	15	49 Å²	49	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-41.5	175.1	0	0	0	0	0	112.5	D1073 R1078 D1079	D1073-G1075 VanDerWaalsContact C-N 3.28Å; D1073-G1075 PolarHBondContact O-N 2.79Å; G1075-R1078 WeakPolarHBondContact O-CB 3.49Å; G1075-R1078 PolarHBondContact O-N 2.85Å; G1075-D1079 WeakPolarHBondContact O-CB 3.46Å; G1075-D1079 PolarHBondContact O-N 3.45Å
1076	I	93.7	Very high	89.5	Confident	85 Å²	85	49.9 Å²	49.9	44%	0.436	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-43.6	178.4	-50.1	175.9	0	0	0	110.6	D1073 D1079 I1080 I1094	D1073-I1076 PolarHBondContact O-N 2.81Å; I1076-D1079 PolarHBondContact O-N 3.16Å; I1076-I1080 HydrophobicContact CG2-CD1 3.91Å; I1076-I1080 WeakPolarHBondContact O-CB 3.4Å; I1076-I1080 WeakPolarHBondContact O-CD1 3.31Å; I1076-I1080 VanDerWaalsContact O-CG1 3.23Å; I1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; I1076-I1080 PolarHBondContact O-N 2.93Å; I1076-I1094 HydrophobicContact CB-CD1 4.26Å; I1076-I1094 HydrophobicContact CG2-CD1 3.79Å
1077	I	96	Very high	89.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-44.5	177.8	-64.7	162.8	0	0	0	110.4	L1051 D1073 I1080 L1081 F1090 I1094 I1099 C1102	L1051-I1077 HydrophobicContact CD2-CG2 3.8Å; D1073-I1077 HydrophobicContact CB-CD1 4.19Å; D1073-I1077 VanDerWaalsContact O-CG1 3.27Å; D1073-I1077 WeakPolarHBondContact O-CG1 3.39Å; D1073-I1077 PolarHBondContact O-N 2.82Å; I1077-I1080 PolarHBondContact O-N 2.77Å; I1077-L1081 HydrophobicContact CG2-CD1 4.23Å; I1077-L1081 WeakPolarHBondContact O-CG 3.37Å; I1077-L1081 PolarHBondContact O-N 3.37Å; I1077-F1090 HydrophobicContact CG2-CE1 3.94Å; I1077-F1090 HydrophobicContact CG2-CZ 4.45Å; I1077-I1094 HydrophobicContact CD1-CG2 3.78Å; I1077-I1094 HydrophobicContact CG1-CD1 4.09Å; I1077-I1094 HydrophobicContact CG1-CG2 3.93Å; I1077-I1099 HydrophobicContact CD1-CD1 3.7Å; I1077-I1099 HydrophobicContact CD1-CG1 4.04Å; I1077-I1099 HydrophobicContact CG1-CD1 3.75Å; I1077-I1099 HydrophobicContact CG2-CD1 4.28Å; I1077-C1102 HydrophobicContact CD1-CB 4.3Å; I1077-C1102 VanDerWaalsContact CD1-SG 3.55Å; I1077-C1102 HydrophobicContact CG2-CB 3.79Å
1078	R	95.1	Very high	89.5	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-54.8	-55.5	172.2	171.4	-156.6	72.1	-155.1	2.3	111	F892 E894 F991 I1074 G1075 I1080 L1081 D1082	F892-R1078 VanDerWaalsContact O-CD 3.3Å; F892-R1078 WeakPolarHBondContact O-CD 3.14Å; F892-R1078 PolarHBondContact O-NH1 3.25Å; E894-R1078 IonicContact OE2-CZ 3.25Å; E894-R1078 VanDerWaalsContact OE2-CZ 3.23Å; E894-R1078 IonicContact OE2-NH1 2.65Å; E894-R1078 PolarHBondContact OE2-NH1 3.15Å; E894-R1078 IonicContact OE2-NH2 3.87Å; E894-R1078 PolarHBondContact OE2-NH2 3.26Å; F991-R1078 HydrophobicContact CD2-CG 4.47Å; F991-R1078 HydrophobicContact CE2-CB 4.14Å; F991-R1078 HydrophobicContact CE2-CG 4.42Å; I1074-R1078 WeakPolarHBondContact O-CB 3.46Å; I1074-R1078 PolarHBondContact O-N 2.81Å; G1075-R1078 WeakPolarHBondContact O-CB 3.49Å; G1075-R1078 PolarHBondContact O-N 2.85Å; R1078-I1080 VanDerWaalsContact C-N 3.29Å; R1078-I1080 PolarHBondContact O-N 3.09Å; R1078-L1081 PolarHBondContact O-N 3.16Å; R1078-L1081 VanDerWaalsContact O-N 3.09Å; R1078-D1082 VanDerWaalsContact CG-OD2 3.27Å; R1078-D1082 WeakPolarHBondContact CG-OD2 3.29Å; R1078-D1082 VanDerWaalsContact O-CB 3.32Å; R1078-D1082 WeakPolarHBondContact O-CB 3.33Å; R1078-D1082 PolarHBondContact O-N 3.11Å
1079	D	94.4	Very high	90	Very high	58 Å²	58	45.5 Å²	45.5	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-35.6	-176.3	-65	-16	0	0	0	111.9	G1075 I1076 D1082 T1083	G1075-D1079 WeakPolarHBondContact O-CB 3.46Å; G1075-D1079 PolarHBondContact O-N 3.45Å; I1076-D1079 PolarHBondContact O-N 3.16Å; D1079-D1082 PolarHBondContact O-N 2.74Å; D1079-T1083 VanDerWaalsContact O-CB 3.3Å; D1079-T1083 WeakPolarHBondContact O-CB 3.42Å; D1079-T1083 WeakPolarHBondContact O-CG2 3.49Å; D1079-T1083 PolarHBondContact O-N 3.19Å; D1079-T1083 PolarHBondContact O-OG1 3.44Å
1080	I	95.2	Very high	90.6	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-47.4	172.5	-72.1	167	0	0	0	111	R1050 I1076 I1077 R1078 D1082 T1084 F1090 P1091 I1094	R1050-I1080 PolarHBondContact NH1-O 2.74Å; R1050-I1080 VanDerWaalsContact NH2-CG2 3.29Å; I1076-I1080 HydrophobicContact CG2-CD1 3.91Å; I1076-I1080 WeakPolarHBondContact O-CB 3.4Å; I1076-I1080 WeakPolarHBondContact O-CD1 3.31Å; I1076-I1080 VanDerWaalsContact O-CG1 3.23Å; I1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; I1076-I1080 PolarHBondContact O-N 2.93Å; I1077-I1080 PolarHBondContact O-N 2.77Å; R1078-I1080 VanDerWaalsContact C-N 3.29Å; R1078-I1080 PolarHBondContact O-N 3.09Å; I1080-D1082 VanDerWaalsContact C-N 3.33Å; I1080-D1082 PolarHBondContact O-N 3.29Å; I1080-T1084 WeakPolarHBondContact O-CB 3.4Å; I1080-T1084 PolarHBondContact O-N 3.11Å; I1080-T1084 VanDerWaalsContact O-N 3.15Å; I1080-T1084 PolarHBondContact O-OG1 2.79Å; I1080-F1090 HydrophobicContact CB-CD1 4.29Å; I1080-F1090 HydrophobicContact CB-CE1 4.15Å; I1080-F1090 HydrophobicContact CD1-CD1 3.96Å; I1080-F1090 HydrophobicContact CG2-CD1 3.77Å; I1080-F1090 HydrophobicContact CG2-CE1 3.63Å; I1080-P1091 VanDerWaalsContact CD1-CD 3.47Å; I1080-P1091 HydrophobicContact CD1-CG 4.23Å; I1080-I1094 HydrophobicContact CD1-CD1 4.13Å
1081	L	95	Very high	90.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-39.3	177.5	-71.1	176.8	0	0	0	112.3	F991 E1047 R1050 L1051 I1077 R1078 F1090 F1106	F991-L1081 HydrophobicContact CE2-CD1 3.98Å; F991-L1081 HydrophobicContact CZ-CD1 4.24Å; E1047-L1081 HydrophobicContact CB-CD2 4.02Å; E1047-L1081 HydrophobicContact CG-CD2 4.35Å; R1050-L1081 HydrophobicContact CB-CD2 4.3Å; L1051-L1081 HydrophobicContact CD1-CD1 4.02Å; L1051-L1081 HydrophobicContact CD2-CD1 4.23Å; L1051-L1081 HydrophobicContact CG-CD1 4.19Å; I1077-L1081 HydrophobicContact CG2-CD1 4.23Å; I1077-L1081 WeakPolarHBondContact O-CG 3.37Å; I1077-L1081 PolarHBondContact O-N 3.37Å; R1078-L1081 PolarHBondContact O-N 3.16Å; R1078-L1081 VanDerWaalsContact O-N 3.09Å; L1081-F1090 HydrophobicContact CD2-CZ 4.04Å; L1081-F1090 HydrophobicContact CG-CE1 4.49Å; L1081-F1090 HydrophobicContact CG-CZ 4.4Å; L1081-F1106 HydrophobicContact CD1-CD2 4.47Å
1082	D	94.6	Very high	91.2	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	29%	0.291	C	S	.	.	H	α-helix	trans	-84	-20.6	-171.4	-68.6	-17.7	0	0	0	114.2	T989 S990 P1005 V1006 N1007 R1078 D1079 I1080	T989-D1082 VanDerWaalsContact CA-OD2 3.31Å; T989-D1082 WeakPolarHBondContact CA-OD2 3.41Å; T989-D1082 WeakPolarHBondContact CB-OD2 3.31Å; T989-D1082 PolarHBondContact OG1-OD1 2.79Å; T989-D1082 PolarHBondContact OG1-OD2 2.73Å; S990-D1082 WeakPolarHBondContact CB-OD1 3.27Å; S990-D1082 PolarHBondContact N-OD1 3.02Å; S990-D1082 PolarHBondContact OG-OD1 3.26Å; P1005-D1082 WeakPolarHBondContact CB-O 3.46Å; V1006-D1082 HydrophobicContact CG1-CB 3.83Å; V1006-D1082 PolarHBondContact N-O 3.28Å; N1007-D1082 WeakPolarHBondContact CB-O 3.09Å; N1007-D1082 PolarHBondContact N-O 3.44Å; N1007-D1082 VanDerWaalsContact N-O 3.1Å; R1078-D1082 VanDerWaalsContact CG-OD2 3.27Å; R1078-D1082 WeakPolarHBondContact CG-OD2 3.29Å; R1078-D1082 VanDerWaalsContact O-CB 3.32Å; R1078-D1082 WeakPolarHBondContact O-CB 3.33Å; R1078-D1082 PolarHBondContact O-N 3.11Å; D1079-D1082 PolarHBondContact O-N 2.74Å; I1080-D1082 VanDerWaalsContact C-N 3.33Å; I1080-D1082 PolarHBondContact O-N 3.29Å
1083	T	93.7	Very high	91.4	Very high	61 Å²	61	51.8 Å²	51.8	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-124.1	-17.3	-172.2	73.8	0	0	0	0	116.2	P1005 N1007 D1079	P1005-T1083 WeakPolarHBondContact CG-O 3.49Å; N1007-T1083 HydrophobicContact CB-CG2 4.38Å; N1007-T1083 WeakPolarHBondContact ND2-CA 3.39Å; N1007-T1083 VanDerWaalsContact ND2-CB 3.31Å; N1007-T1083 WeakPolarHBondContact ND2-CB 3.26Å; N1007-T1083 WeakPolarHBondContact ND2-CG2 3.14Å; D1079-T1083 VanDerWaalsContact O-CB 3.3Å; D1079-T1083 WeakPolarHBondContact O-CB 3.42Å; D1079-T1083 WeakPolarHBondContact O-CG2 3.49Å; D1079-T1083 PolarHBondContact O-N 3.19Å; D1079-T1083 PolarHBondContact O-OG1 3.44Å
1084	T	91.8	Very high	91.3	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.172	30%	0.3	C	S	.	.	S	Bend	trans	-111.8	146.5	-174.1	72.4	0	0	0	0	113.2	R1050 I1080	R1050-T1084 PolarHBondContact NH1-O 2.95Å; R1050-T1084 VanDerWaalsContact NH1-O 3.12Å; R1050-T1084 PolarHBondContact NH1-OG1 3.2Å; R1050-T1084 PolarHBondContact NH2-OG1 2.69Å; I1080-T1084 WeakPolarHBondContact O-CB 3.4Å; I1080-T1084 PolarHBondContact O-N 3.11Å; I1080-T1084 VanDerWaalsContact O-N 3.15Å; I1080-T1084 PolarHBondContact O-OG1 2.79Å
1085	P	85.9	Confident	91.3	Very high	68 Å²	68	52.4 Å²	52.4	44%	0.442	31%	0.308	S	S	.	.			trans	-60.3	160.7	177.8	-23.6	34.7	0	0	0	113.8	N1087 C1088	P1085-N1087 PolarHBondContact O-N 2.89Å; P1085-C1088 WeakPolarHBondContact O-CB 3.43Å; P1085-C1088 PolarHBondContact O-N 3.18Å
1086	A	83.3	Confident	91.5	Very high	38 Å²	38	52.2 Å²	52.2	31%	0.314	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.8	-173	0	0	0	0	0	115.8	K1046	K1046-A1086 HydrophobicContact CB-CB 4.23Å; K1046-A1086 HydrophobicContact CD-CB 3.94Å
1087	N	83.8	Confident	91.5	Very high	143 Å²	143	48.9 Å²	48.9	77%	0.765	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2.6	-178.2	67.7	-26.8	0	0	0	114.5	P1085	P1085-N1087 PolarHBondContact O-N 2.89Å
1088	C	88.5	Confident	91.4	Very high	45 Å²	45	48.9 Å²	48.9	30%	0.304	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-77.8	121.9	175.2	-177.5	0	0	0	0	110.1	R1050 P1085	R1050-C1088 PolarHBondContact NH2-O 2.98Å; P1085-C1088 WeakPolarHBondContact O-CB 3.43Å; P1085-C1088 PolarHBondContact O-N 3.18Å
1089	P	89.2	Confident	91.5	Very high	102 Å²	102	48.7 Å²	48.7	66%	0.662	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-73.4	162.9	178.1	32	-35.7	0	0	0	111.8
1090	F	93.6	Very high	91.5	Very high	13 Å²	13	46 Å²	46	6%	0.057	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.9	142.4	166.3	-62	-75.8	0	0	0	109.9	R1050 L1051 H1054 I1077 I1080 L1081 I1099	R1050-F1090 HydrophobicContact CB-CE2 4.06Å; R1050-F1090 HydrophobicContact CB-CZ 4.25Å; L1051-F1090 HydrophobicContact CD2-CE2 4.39Å; L1051-F1090 HydrophobicContact CD2-CZ 3.9Å; H1054-F1090 HydrophobicContact CB-CD2 3.82Å; H1054-F1090 HydrophobicContact CB-CE2 4.18Å; H1054-F1090 AromaticContact CD2-CD2 3.72Å; H1054-F1090 AromaticContact CG-CD2 3.74Å; I1077-F1090 HydrophobicContact CG2-CE1 3.94Å; I1077-F1090 HydrophobicContact CG2-CZ 4.45Å; I1080-F1090 HydrophobicContact CB-CD1 4.29Å; I1080-F1090 HydrophobicContact CB-CE1 4.15Å; I1080-F1090 HydrophobicContact CD1-CD1 3.96Å; I1080-F1090 HydrophobicContact CG2-CD1 3.77Å; I1080-F1090 HydrophobicContact CG2-CE1 3.63Å; L1081-F1090 HydrophobicContact CD2-CZ 4.04Å; L1081-F1090 HydrophobicContact CG-CE1 4.49Å; L1081-F1090 HydrophobicContact CG-CZ 4.4Å; F1090-I1099 HydrophobicContact CB-CD1 4.31Å; F1090-I1099 HydrophobicContact CD1-CD1 3.86Å; F1090-I1099 HydrophobicContact CD2-CD1 3.87Å; F1090-I1099 HydrophobicContact CE1-CD1 4.11Å; F1090-I1099 HydrophobicContact CE2-CD1 4.1Å; F1090-I1099 HydrophobicContact CG-CD1 3.74Å; F1090-I1099 HydrophobicContact CZ-CD1 4.23Å
1091	P	91.6	Very high	91.4	Very high	57 Å²	57	46.1 Å²	46.1	37%	0.37	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58.2	137.3	173	-25.8	33	0	0	0	112.9	I1080 T1093 I1094	I1080-P1091 VanDerWaalsContact CD1-CD 3.47Å; I1080-P1091 HydrophobicContact CD1-CG 4.23Å; P1091-T1093 PolarHBondContact O-N 3.27Å; P1091-I1094 HydrophobicContact CB-CG1 4.41Å; P1091-I1094 HydrophobicContact CG-CD1 4.33Å; P1091-I1094 WeakPolarHBondContact O-CB 3.26Å; P1091-I1094 PolarHBondContact O-N 3.08Å
1092	E	87.4	Confident	91.4	Very high	179 Å²	179	46.1 Å²	46.1	84%	0.836	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14	178	-61.4	175.3	176	0	0	114.1
1093	T	89.6	Confident	91.5	Very high	130 Å²	130	45.8 Å²	45.8	80%	0.798	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.8	175.4	56.9	0	0	0	0	114	P1091	P1091-T1093 PolarHBondContact O-N 3.27Å
1094	I	91.6	Very high	91.4	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.062	26%	0.263	C	S	.	.	S	Bend	trans	-82.5	133.1	178.5	-63.3	-175.7	0	0	0	109.2	D1073 I1076 I1077 I1080 P1091 I1099	D1073-I1094 HydrophobicContact CB-CG2 4.25Å; I1076-I1094 HydrophobicContact CB-CD1 4.26Å; I1076-I1094 HydrophobicContact CG2-CD1 3.79Å; I1077-I1094 HydrophobicContact CD1-CG2 3.78Å; I1077-I1094 HydrophobicContact CG1-CD1 4.09Å; I1077-I1094 HydrophobicContact CG1-CG2 3.93Å; I1080-I1094 HydrophobicContact CD1-CD1 4.13Å; P1091-I1094 HydrophobicContact CB-CG1 4.41Å; P1091-I1094 HydrophobicContact CG-CD1 4.33Å; P1091-I1094 WeakPolarHBondContact O-CB 3.26Å; P1091-I1094 PolarHBondContact O-N 3.08Å; I1094-I1099 HydrophobicContact CG2-CD1 3.99Å; I1094-I1099 HydrophobicContact CG2-CG1 3.92Å
1095	S	92.2	Very high	91.5	Very high	36 Å²	36	44.4 Å²	44.4	25%	0.252	26%	0.261	S	S	.	.			trans	-71.3	135.7	178	-174.2	0	0	0	0	111.8	D1073 H1097 S1098 I1099	D1073-S1095 PolarHBondContact OD2-N 3.04Å; S1095-H1097 PolarHBondContact O-N 2.85Å; S1095-H1097 PolarHBondContact OG-CD2 3.46Å; S1095-H1097 PolarHBondContact OG-N 3.32Å; S1095-S1098 WeakPolarHBondContact O-CA 3.28Å; S1095-S1098 WeakPolarHBondContact O-CB 3.28Å; S1095-S1098 PolarHBondContact O-N 2.98Å; S1095-I1099 PolarHBondContact O-N 2.74Å
1096	V	94.7	Very high	91.9	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	24%	0.24	C	C	.	.	H	α-helix	trans	-58.4	-28.5	170.7	66.7	0	0	0	0	112	I1055 E1061 L1064 S1098 I1099 T1100	I1055-V1096 HydrophobicContact CB-CG2 4.43Å; I1055-V1096 HydrophobicContact CG1-CG2 4.17Å; I1055-V1096 HydrophobicContact CG2-CG2 4.34Å; E1061-V1096 HydrophobicContact CB-CG1 3.93Å; E1061-V1096 HydrophobicContact CG-CG1 3.78Å; L1064-V1096 HydrophobicContact CD2-CB 4.41Å; L1064-V1096 HydrophobicContact CD2-CG1 3.78Å; L1064-V1096 HydrophobicContact CD2-CG2 3.77Å; V1096-S1098 VanDerWaalsContact C-N 3.28Å; V1096-S1098 PolarHBondContact O-N 3.44Å; V1096-I1099 CarbonylContact O-C 3.38Å; V1096-I1099 WeakPolarHBondContact O-CB 3.38Å; V1096-I1099 PolarHBondContact O-N 3.13Å; V1096-I1099 VanDerWaalsContact O-N 3.12Å; V1096-T1100 PolarHBondContact O-N 2.8Å; V1096-T1100 PolarHBondContact O-OG1 3.46Å
1097	H	94.3	Very high	92.5	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-32.6	171.8	-59.9	-72.3	0	0	0	112.9	P1062 Q1067 G1069 S1095 T1100 S1101	P1062-H1097 PolarHBondContact O-CE1 3.15Å; Q1067-H1097 PolarHBondContact O-ND1 3.49Å; G1069-H1097 PolarHBondContact N-O 3.47Å; S1095-H1097 PolarHBondContact O-N 2.85Å; S1095-H1097 PolarHBondContact OG-CD2 3.46Å; S1095-H1097 PolarHBondContact OG-N 3.32Å; H1097-T1100 WeakPolarHBondContact CA-OG1 3.48Å; H1097-T1100 PolarHBondContact O-OG1 3Å; H1097-S1101 WeakPolarHBondContact O-CB 3.45Å; H1097-S1101 PolarHBondContact O-N 3.01Å; H1097-S1101 PolarHBondContact O-OG 2.97Å
1098	S	94.6	Very high	92.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-40.1	173	-53.9	0	0	0	0	110.2	G1069 P1070 D1073 S1095 V1096 S1101 C1102	G1069-S1098 WeakPolarHBondContact CA-OG 3.24Å; P1070-S1098 WeakPolarHBondContact CD-OG 3.33Å; D1073-S1098 VanDerWaalsContact CB-CB 3.49Å; D1073-S1098 WeakPolarHBondContact CB-OG 3.4Å; D1073-S1098 VanDerWaalsContact CG-OG 3.31Å; D1073-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1073-S1098 PolarHBondContact OD2-OG 2.87Å; S1095-S1098 WeakPolarHBondContact O-CA 3.28Å; S1095-S1098 WeakPolarHBondContact O-CB 3.28Å; S1095-S1098 PolarHBondContact O-N 2.98Å; V1096-S1098 VanDerWaalsContact C-N 3.28Å; V1096-S1098 PolarHBondContact O-N 3.44Å; S1098-S1101 WeakPolarHBondContact O-CB 3.47Å; S1098-S1101 PolarHBondContact O-N 3.26Å; S1098-C1102 WeakPolarHBondContact O-CB 3.22Å; S1098-C1102 PolarHBondContact O-N 2.92Å; S1098-C1102 PolarHBondContact O-SG 3.45Å; S1098-C1102 VanDerWaalsContact O-SG 3.4Å
1099	I	96.5	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-41.9	178.4	-58.7	-85.7	0	0	0	111	L1051 I1055 I1077 F1090 I1094 S1095 V1096 S1101 C1102 L1103	L1051-I1099 HydrophobicContact CB-CG2 4.41Å; L1051-I1099 HydrophobicContact CD2-CD1 4.39Å; L1051-I1099 HydrophobicContact CD2-CG2 3.85Å; I1055-I1099 HydrophobicContact CD1-CG2 4.06Å; I1055-I1099 HydrophobicContact CG1-CB 4.44Å; I1055-I1099 HydrophobicContact CG1-CG2 3.69Å; I1077-I1099 HydrophobicContact CD1-CD1 3.7Å; I1077-I1099 HydrophobicContact CD1-CG1 4.04Å; I1077-I1099 HydrophobicContact CG1-CD1 3.75Å; I1077-I1099 HydrophobicContact CG2-CD1 4.28Å; F1090-I1099 HydrophobicContact CB-CD1 4.31Å; F1090-I1099 HydrophobicContact CD1-CD1 3.86Å; F1090-I1099 HydrophobicContact CD2-CD1 3.87Å; F1090-I1099 HydrophobicContact CE1-CD1 4.11Å; F1090-I1099 HydrophobicContact CE2-CD1 4.1Å; F1090-I1099 HydrophobicContact CG-CD1 3.74Å; F1090-I1099 HydrophobicContact CZ-CD1 4.23Å; I1094-I1099 HydrophobicContact CG2-CD1 3.99Å; I1094-I1099 HydrophobicContact CG2-CG1 3.92Å; S1095-I1099 PolarHBondContact O-N 2.74Å; V1096-I1099 CarbonylContact O-C 3.38Å; V1096-I1099 WeakPolarHBondContact O-CB 3.38Å; V1096-I1099 PolarHBondContact O-N 3.13Å; V1096-I1099 VanDerWaalsContact O-N 3.12Å; I1099-S1101 VanDerWaalsContact C-N 3.33Å; I1099-S1101 PolarHBondContact O-N 3.41Å; I1099-C1102 PolarHBondContact O-N 2.93Å; I1099-L1103 PolarHBondContact O-N 3.44Å
1100	T	94.9	Very high	93.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-41.2	170.8	53.6	0	0	0	0	111.5	I1055 L1064 F1065 V1096 H1097 C1102 L1103 L1104	I1055-T1100 HydrophobicContact CD1-CG2 3.79Å; I1055-T1100 HydrophobicContact CG1-CG2 3.89Å; I1055-T1100 HydrophobicContact CG2-CG2 4.05Å; L1064-T1100 HydrophobicContact CD2-CG2 3.95Å; F1065-T1100 HydrophobicContact CD1-CG2 4.09Å; F1065-T1100 HydrophobicContact CD2-CG2 4.35Å; F1065-T1100 HydrophobicContact CE1-CG2 3.71Å; F1065-T1100 HydrophobicContact CE2-CG2 3.99Å; F1065-T1100 HydrophobicContact CG-CG2 4.4Å; F1065-T1100 HydrophobicContact CZ-CG2 3.65Å; V1096-T1100 PolarHBondContact O-N 2.8Å; V1096-T1100 PolarHBondContact O-OG1 3.46Å; H1097-T1100 WeakPolarHBondContact CA-OG1 3.48Å; H1097-T1100 PolarHBondContact O-OG1 3Å; T1100-C1102 PolarHBondContact O-N 3.2Å; T1100-L1103 PolarHBondContact O-N 3.13Å; T1100-L1104 WeakPolarHBondContact O-CG 3.28Å; T1100-L1104 PolarHBondContact O-N 2.87Å; T1100-L1104 VanDerWaalsContact O-N 3.1Å
1101	S	92.4	Very high	92.9	Very high	22 Å²	22	28.6 Å²	28.6	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-41.8	176.6	-57.8	0	0	0	0	111.4	H1097 S1098 I1099 L1104 L1105	H1097-S1101 WeakPolarHBondContact O-CB 3.45Å; H1097-S1101 PolarHBondContact O-N 3.01Å; H1097-S1101 PolarHBondContact O-OG 2.97Å; S1098-S1101 WeakPolarHBondContact O-CB 3.47Å; S1098-S1101 PolarHBondContact O-N 3.26Å; I1099-S1101 VanDerWaalsContact C-N 3.33Å; I1099-S1101 PolarHBondContact O-N 3.41Å; S1101-L1104 PolarHBondContact O-N 3.13Å; S1101-L1105 WeakPolarHBondContact O-CB 3.33Å; S1101-L1105 PolarHBondContact O-N 3.42Å
1102	C	95.3	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-36	174.8	-76.8	0	0	0	0	113.1	L1051 I1077 S1098 I1099 T1100 L1105 F1106	L1051-C1102 HydrophobicContact CD2-CB 4.18Å; I1077-C1102 HydrophobicContact CD1-CB 4.3Å; I1077-C1102 VanDerWaalsContact CD1-SG 3.55Å; I1077-C1102 HydrophobicContact CG2-CB 3.79Å; S1098-C1102 WeakPolarHBondContact O-CB 3.22Å; S1098-C1102 PolarHBondContact O-N 2.92Å; S1098-C1102 PolarHBondContact O-SG 3.45Å; S1098-C1102 VanDerWaalsContact O-SG 3.4Å; I1099-C1102 PolarHBondContact O-N 2.93Å; T1100-C1102 PolarHBondContact O-N 3.2Å; C1102-L1105 PolarHBondContact O-N 2.84Å; C1102-F1106 WeakPolarHBondContact O-CB 3.43Å; C1102-F1106 PolarHBondContact O-N 3.45Å
1103	L	96.2	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-46.5	173.8	177.9	61.6	0	0	0	111.6	I1048 L1051 V1052 I1055 I1099 T1100 F1106 L1107 F1154	I1048-L1103 HydrophobicContact CG2-CD1 4.11Å; L1051-L1103 HydrophobicContact CB-CB 4.37Å; L1051-L1103 HydrophobicContact CB-CD1 4.29Å; L1051-L1103 HydrophobicContact CD1-CB 4.34Å; L1051-L1103 HydrophobicContact CD1-CD1 4.35Å; V1052-L1103 HydrophobicContact CG2-CD1 4.08Å; V1052-L1103 HydrophobicContact CG2-CD2 3.75Å; I1055-L1103 HydrophobicContact CD1-CB 4.31Å; I1055-L1103 HydrophobicContact CD1-CD2 3.73Å; I1099-L1103 PolarHBondContact O-N 3.44Å; T1100-L1103 PolarHBondContact O-N 3.13Å; L1103-F1106 PolarHBondContact O-N 3.3Å; L1103-L1107 HydrophobicContact CD1-CD1 3.98Å; L1103-L1107 HydrophobicContact CD1-CG 4.29Å; L1103-L1107 HydrophobicContact CG-CD1 4.15Å; L1103-L1107 VanDerWaalsContact O-CG 3.3Å; L1103-L1107 WeakPolarHBondContact O-CG 3.43Å; L1103-L1107 PolarHBondContact O-N 3.14Å; L1103-L1107 VanDerWaalsContact O-N 3.11Å; L1103-F1154 HydrophobicContact CD2-CD1 4.48Å; L1103-F1154 HydrophobicContact CD2-CE1 3.7Å; L1103-F1154 HydrophobicContact CD2-CZ 4.33Å
1104	L	93	Very high	93	Very high	35 Å²	35	17.1 Å²	17.1	18%	0.183	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-44.8	175.6	-62.1	177.3	0	0	0	111.1	F1065 T1100 S1101 N1108 F1176 I1179	F1065-L1104 HydrophobicContact CD1-CD1 4.14Å; F1065-L1104 HydrophobicContact CD1-CD2 4.24Å; F1065-L1104 HydrophobicContact CD1-CG 4.27Å; F1065-L1104 HydrophobicContact CE1-CD2 4.33Å; F1065-L1104 HydrophobicContact CE1-CG 4.42Å; T1100-L1104 WeakPolarHBondContact O-CG 3.28Å; T1100-L1104 PolarHBondContact O-N 2.87Å; T1100-L1104 VanDerWaalsContact O-N 3.1Å; S1101-L1104 PolarHBondContact O-N 3.13Å; L1104-N1108 WeakPolarHBondContact O-CB 3.41Å; L1104-N1108 PolarHBondContact O-N 2.61Å; L1104-F1176 HydrophobicContact CD2-CD1 4.48Å; L1104-F1176 HydrophobicContact CD2-CD2 4.4Å; L1104-F1176 HydrophobicContact CD2-CE1 4.04Å; L1104-F1176 HydrophobicContact CD2-CE2 3.94Å; L1104-F1176 HydrophobicContact CD2-CZ 3.75Å; L1104-I1179 HydrophobicContact CB-CD1 3.81Å; L1104-I1179 HydrophobicContact CD2-CD1 3.56Å; L1104-I1179 HydrophobicContact CG-CD1 4.22Å
1105	L	92.4	Very high	93.1	Very high	26 Å²	26	16.5 Å²	16.5	14%	0.136	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-46.6	177.2	-177.8	61.6	0	0	0	112	F892 F991 I1074 S1101 C1102 N1108 T1109	F892-L1105 HydrophobicContact CE1-CD2 3.87Å; F892-L1105 HydrophobicContact CE1-CG 4.21Å; F892-L1105 HydrophobicContact CZ-CD1 4.11Å; F892-L1105 HydrophobicContact CZ-CD2 4.02Å; F892-L1105 HydrophobicContact CZ-CG 4.11Å; F991-L1105 HydrophobicContact CD1-CG 4.23Å; F991-L1105 HydrophobicContact CE1-CB 4.31Å; F991-L1105 HydrophobicContact CE1-CD2 4.16Å; F991-L1105 HydrophobicContact CE1-CG 4.06Å; I1074-L1105 HydrophobicContact CG2-CD2 4.08Å; S1101-L1105 WeakPolarHBondContact O-CB 3.33Å; S1101-L1105 PolarHBondContact O-N 3.42Å; C1102-L1105 PolarHBondContact O-N 2.84Å; L1105-N1108 CarbonylContact O-C 3.59Å; L1105-N1108 PolarHBondContact O-N 3.46Å; L1105-T1109 HydrophobicContact CD1-CG2 4.24Å; L1105-T1109 HydrophobicContact CG-CG2 4.44Å; L1105-T1109 VanDerWaalsContact O-CG2 3.28Å; L1105-T1109 WeakPolarHBondContact O-CG2 3.36Å; L1105-T1109 PolarHBondContact O-N 3.03Å; L1105-T1109 PolarHBondContact O-OG1 2.72Å
1106	F	95.7	Very high	93.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-51.6	-179.9	-168.1	-79.2	0	0	0	110.7	F991 L998 E1047 I1048 L1051 L1081 C1102 L1103 N1108 T1109 L1110	F991-F1106 HydrophobicContact CD1-CB 3.96Å; F991-F1106 AromaticContact CD1-CD2 3.79Å; F991-F1106 HydrophobicContact CD1-CD2 3.79Å; F991-F1106 HydrophobicContact CD1-CG 4.23Å; F991-F1106 AromaticContact CD2-CD2 3.89Å; F991-F1106 HydrophobicContact CD2-CD2 3.89Å; F991-F1106 HydrophobicContact CD2-CE2 4.25Å; F991-F1106 HydrophobicContact CE1-CB 3.67Å; F991-F1106 AromaticContact CE1-CD2 3.8Å; F991-F1106 HydrophobicContact CE1-CD2 3.8Å; F991-F1106 HydrophobicContact CE1-CG 4.21Å; F991-F1106 AromaticContact CE2-CD2 3.88Å; F991-F1106 HydrophobicContact CE2-CD2 3.88Å; F991-F1106 HydrophobicContact CE2-CE2 4.46Å; F991-F1106 AromaticContact CG-CD2 3.85Å; F991-F1106 HydrophobicContact CG-CD2 3.85Å; F991-F1106 HydrophobicContact CG-CE2 4.39Å; F991-F1106 HydrophobicContact CZ-CB 4.3Å; F991-F1106 AromaticContact CZ-CD2 3.84Å; F991-F1106 HydrophobicContact CZ-CD2 3.84Å; L998-F1106 HydrophobicContact CD1-CE1 3.74Å; L998-F1106 HydrophobicContact CD1-CZ 3.75Å; L998-F1106 HydrophobicContact CD2-CZ 4.08Å; E1047-F1106 HydrophobicContact CB-CE1 4.44Å; E1047-F1106 HydrophobicContact CB-CE2 3.75Å; E1047-F1106 HydrophobicContact CB-CZ 3.66Å; E1047-F1106 HydrophobicContact CG-CE2 4.17Å; E1047-F1106 HydrophobicContact CG-CZ 4.11Å; I1048-F1106 HydrophobicContact CD1-CD1 4.13Å; I1048-F1106 HydrophobicContact CD1-CE1 3.99Å; I1048-F1106 HydrophobicContact CG1-CD1 3.79Å; I1048-F1106 HydrophobicContact CG1-CE1 3.71Å; L1051-F1106 HydrophobicContact CD1-CB 4.39Å; L1081-F1106 HydrophobicContact CD1-CD2 4.47Å; C1102-F1106 WeakPolarHBondContact O-CB 3.43Å; C1102-F1106 PolarHBondContact O-N 3.45Å; L1103-F1106 PolarHBondContact O-N 3.3Å; F1106-N1108 VanDerWaalsContact C-N 3.3Å; F1106-N1108 PolarHBondContact O-N 3.36Å; F1106-T1109 PolarHBondContact O-N 3.18Å; F1106-T1109 VanDerWaalsContact O-N 3.13Å; F1106-T1109 PolarHBondContact O-OG1 3.33Å; F1106-L1110 HydrophobicContact CE1-CD2 4.45Å
1107	L	94.2	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-38.2	177.3	-67.4	169.8	0	0	0	112.2	I1048 L1103 T1109 L1110 V1114 L1147 L1151 F1176 I1179 F1180 F1182	I1048-L1107 HydrophobicContact CD1-CD2 3.83Å; L1103-L1107 HydrophobicContact CD1-CD1 3.98Å; L1103-L1107 HydrophobicContact CD1-CG 4.29Å; L1103-L1107 HydrophobicContact CG-CD1 4.15Å; L1103-L1107 VanDerWaalsContact O-CG 3.3Å; L1103-L1107 WeakPolarHBondContact O-CG 3.43Å; L1103-L1107 PolarHBondContact O-N 3.14Å; L1103-L1107 VanDerWaalsContact O-N 3.11Å; L1107-T1109 VanDerWaalsContact C-N 3.32Å; L1107-T1109 PolarHBondContact O-N 2.89Å; L1107-L1110 HydrophobicContact CD2-CD1 4.33Å; L1107-L1110 WeakPolarHBondContact O-CG 3.44Å; L1107-L1110 PolarHBondContact O-N 3.1Å; L1107-V1114 HydrophobicContact CD2-CG2 4.12Å; L1107-L1147 HydrophobicContact CD2-CD2 4.49Å; L1107-L1151 HydrophobicContact CD1-CD1 3.9Å; L1107-L1151 HydrophobicContact CD2-CD1 3.83Å; L1107-F1176 HydrophobicContact CD1-CD1 4.45Å; L1107-F1176 HydrophobicContact CD1-CE1 4.08Å; L1107-I1179 HydrophobicContact CB-CG2 3.5Å; L1107-I1179 VanDerWaalsContact CB-CG2 3.5Å; L1107-F1180 HydrophobicContact CD1-CE1 4.45Å; L1107-F1182 WeakPolarHBondContact O-CE1 3.4Å
1108	N	90.3	Very high	92.5	Very high	43 Å²	43	25.8 Å²	25.8	23%	0.23	13%	0.129	C	C	.	.	H	α-helix	trans	-78.2	-9.5	178.3	-171.9	70.5	0	0	0	114.4	Y951 L1104 L1105 F1106 I1179	Y951-N1108 VanDerWaalsContact CD2-ND2 3.29Å; Y951-N1108 WeakPolarHBondContact CD2-ND2 3.42Å; L1104-N1108 WeakPolarHBondContact O-CB 3.41Å; L1104-N1108 PolarHBondContact O-N 2.61Å; L1105-N1108 CarbonylContact O-C 3.59Å; L1105-N1108 PolarHBondContact O-N 3.46Å; F1106-N1108 VanDerWaalsContact C-N 3.3Å; F1106-N1108 PolarHBondContact O-N 3.36Å; N1108-I1179 HydrophobicContact CB-CG1 4.32Å; N1108-I1179 HydrophobicContact CB-CG2 4.16Å
1109	T	92.5	Very high	92.4	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-88.8	-14.4	172.6	55.1	0	0	0	0	113.7	F892 V954 F991 G992 L1105 F1106 L1107	F892-T1109 HydrophobicContact CE1-CG2 4.31Å; F892-T1109 HydrophobicContact CE2-CG2 4.29Å; F892-T1109 HydrophobicContact CZ-CG2 3.64Å; V954-T1109 HydrophobicContact CG1-CG2 3.9Å; F991-T1109 HydrophobicContact CB-CG2 4.4Å; F991-T1109 HydrophobicContact CD1-CG2 4.33Å; G992-T1109 WeakPolarHBondContact CA-O 3.28Å; G992-T1109 PolarHBondContact N-OG1 2.98Å; L1105-T1109 HydrophobicContact CD1-CG2 4.24Å; L1105-T1109 HydrophobicContact CG-CG2 4.44Å; L1105-T1109 VanDerWaalsContact O-CG2 3.28Å; L1105-T1109 WeakPolarHBondContact O-CG2 3.36Å; L1105-T1109 PolarHBondContact O-N 3.03Å; L1105-T1109 PolarHBondContact O-OG1 2.72Å; F1106-T1109 PolarHBondContact O-N 3.18Å; F1106-T1109 VanDerWaalsContact O-N 3.13Å; F1106-T1109 PolarHBondContact O-OG1 3.33Å; L1107-T1109 VanDerWaalsContact C-N 3.32Å; L1107-T1109 PolarHBondContact O-N 2.89Å
1110	L	92	Very high	92.2	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	13%	0.134	C	C	.	.	S	Bend	trans	-55.8	143.4	-175.5	-66.8	174.1	0	0	0	111.7	L998 F1106 L1107 E1112 V1114 F1182	L998-L1110 HydrophobicContact CD1-CD2 4.03Å; F1106-L1110 HydrophobicContact CE1-CD2 4.45Å; L1107-L1110 HydrophobicContact CD2-CD1 4.33Å; L1107-L1110 WeakPolarHBondContact O-CG 3.44Å; L1107-L1110 PolarHBondContact O-N 3.1Å; L1110-E1112 VanDerWaalsContact CB-O 3.26Å; L1110-E1112 WeakPolarHBondContact CB-O 3.48Å; L1110-E1112 PolarHBondContact O-N 3.47Å; L1110-V1114 HydrophobicContact CD1-CG2 4.48Å; L1110-F1182 HydrophobicContact CB-CZ 4.36Å; L1110-F1182 WeakPolarHBondContact O-CZ 3.36Å
1111	P	88.8	Confident	91.9	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.143	16%	0.155	C	C	.	.	S	Bend	trans	-59.6	-29.7	178	-31	40.2	0	0	0	114.9	Y955 L993 P994	Y955-P1111 HydrophobicContact CD1-CB 3.91Å; Y955-P1111 HydrophobicContact CD1-CG 3.97Å; Y955-P1111 HydrophobicContact CD2-CB 4.32Å; Y955-P1111 HydrophobicContact CD2-CG 3.54Å; Y955-P1111 HydrophobicContact CE1-CB 3.54Å; Y955-P1111 HydrophobicContact CE1-CG 3.86Å; Y955-P1111 HydrophobicContact CE2-CB 3.99Å; Y955-P1111 HydrophobicContact CE2-CG 3.43Å; Y955-P1111 VanDerWaalsContact CE2-CG 3.43Å; Y955-P1111 HydrophobicContact CG-CB 4.26Å; Y955-P1111 HydrophobicContact CG-CG 3.79Å; L993-P1111 VanDerWaalsContact O-CD 3.31Å; L993-P1111 WeakPolarHBondContact O-CD 3.46Å; P994-P1111 HydrophobicContact CB-CG 4.49Å; P994-P1111 HydrophobicContact CG-CG 4.12Å
1112	E	87.7	Confident	91.8	Very high	121 Å²	121	35.2 Å²	35.2	57%	0.565	17%	0.169	S	C	*	.	S	Bend	trans	-130	140.7	174.6	-66.3	177.1	179.6	0	0	107.7	L1110	L1110-E1112 VanDerWaalsContact CB-O 3.26Å; L1110-E1112 WeakPolarHBondContact CB-O 3.48Å; L1110-E1112 PolarHBondContact O-N 3.47Å
1113	S	91.5	Very high	91.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	17%	0.169	C	C	.	.			trans	-66	156.4	175.9	54.1	0	0	0	0	111.6	I1115 H1120 F1180 F1182	S1113-I1115 CarbonylContact O-C 3.6Å; S1113-I1115 PolarHBondContact O-N 2.68Å; S1113-I1115 PolarHBondContact OG-O 2.71Å; S1113-H1120 PolarHBondContact OG-NE2 3.06Å; S1113-F1180 WeakPolarHBondContact CB-O 3.27Å; S1113-F1182 VanDerWaalsContact CA-CZ 3.45Å; S1113-F1182 PolarHBondContact OG-O 2.92Å
1114	V	92.9	Very high	91.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-50.2	-37.7	-175	-179.4	0	0	0	0	112.2	L1107 L1110 N1144 L1147 F1148 F1180	L1107-V1114 HydrophobicContact CD2-CG2 4.12Å; L1110-V1114 HydrophobicContact CD1-CG2 4.48Å; V1114-N1144 WeakPolarHBondContact O-CB 3.16Å; V1114-N1144 PolarHBondContact O-ND2 3.33Å; V1114-L1147 HydrophobicContact CG1-CD2 4.18Å; V1114-L1147 HydrophobicContact CG1-CG 4.17Å; V1114-L1147 HydrophobicContact CG2-CD2 4.19Å; V1114-F1148 HydrophobicContact CG1-CB 4.24Å; V1114-F1180 HydrophobicContact CB-CB 4.26Å; V1114-F1180 HydrophobicContact CB-CD1 3.86Å; V1114-F1180 HydrophobicContact CB-CD2 4.45Å; V1114-F1180 HydrophobicContact CB-CE1 4.32Å; V1114-F1180 HydrophobicContact CB-CG 3.94Å; V1114-F1180 HydrophobicContact CG1-CD1 4.35Å; V1114-F1180 HydrophobicContact CG1-CD2 4.36Å; V1114-F1180 HydrophobicContact CG1-CE1 4.43Å; V1114-F1180 HydrophobicContact CG1-CE2 4.47Å; V1114-F1180 HydrophobicContact CG1-CG 4.33Å; V1114-F1180 HydrophobicContact CG2-CD1 3.66Å; V1114-F1180 HydrophobicContact CG2-CE1 3.92Å; V1114-F1180 HydrophobicContact CG2-CG 4.27Å
1115	I	93.5	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-100.5	111.7	161.8	-59.8	171.9	0	0	0	106.9	S1113 F1119 H1120 L1137 L1140 F1148 F1180 F1181 F1206	S1113-I1115 CarbonylContact O-C 3.6Å; S1113-I1115 PolarHBondContact O-N 2.68Å; S1113-I1115 PolarHBondContact OG-O 2.71Å; I1115-F1119 HydrophobicContact CG2-CB 4Å; I1115-H1120 PolarHBondContact O-CD2 2.82Å; I1115-H1120 PolarHBondContact O-NE2 3.17Å; I1115-L1137 HydrophobicContact CD1-CD2 4.41Å; I1115-L1140 HydrophobicContact CB-CD2 4.32Å; I1115-L1140 HydrophobicContact CG1-CD2 4.04Å; I1115-L1140 HydrophobicContact CG2-CD2 4.19Å; I1115-F1148 HydrophobicContact CD1-CD2 4Å; I1115-F1148 HydrophobicContact CD1-CE2 3.8Å; I1115-F1148 HydrophobicContact CG1-CD2 4.12Å; I1115-F1148 HydrophobicContact CG1-CE2 4.44Å; I1115-F1180 WeakPolarHBondContact CB-O 3.44Å; I1115-F1180 PolarHBondContact N-O 3.41Å; I1115-F1181 HydrophobicContact CB-CD1 4.34Å; I1115-F1181 HydrophobicContact CB-CE1 4.23Å; I1115-F1181 HydrophobicContact CD1-CD1 4.41Å; I1115-F1181 HydrophobicContact CD1-CD2 4.36Å; I1115-F1181 HydrophobicContact CD1-CE1 3.72Å; I1115-F1181 HydrophobicContact CD1-CE2 3.68Å; I1115-F1181 HydrophobicContact CD1-CZ 3.32Å; I1115-F1181 HydrophobicContact CG2-CD1 4.31Å; I1115-F1181 HydrophobicContact CG2-CE1 3.95Å; I1115-F1206 HydrophobicContact CD1-CD1 4.07Å; I1115-F1206 HydrophobicContact CD1-CE1 3.72Å
1116	P	90.8	Very high	91.2	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.045	19%	0.188	C	C	.	.			trans	-63.8	152.1	-178	-23.4	33.5	0	0	0	112.7	E1118 F1119 H1120	P1116-E1118 VanDerWaalsContact C-N 3.26Å; P1116-E1118 PolarHBondContact O-N 3Å; P1116-E1118 VanDerWaalsContact O-N 3.11Å; P1116-F1119 HydrophobicContact CB-CD2 3.99Å; P1116-F1119 HydrophobicContact CB-CE2 4.35Å; P1116-F1119 HydrophobicContact CG-CD2 4.16Å; P1116-F1119 HydrophobicContact CG-CE2 4.37Å; P1116-F1119 PolarHBondContact O-N 3.19Å; P1116-H1120 PolarHBondContact O-CD2 3.35Å; P1116-H1120 VanDerWaalsContact O-CD2 3.22Å
1117	Q	89	Confident	91	Very high	100 Å²	100	41.1 Å²	41.1	47%	0.467	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-56.5	-34.8	-167.9	-169	172.4	1.8	0	0	114.1	F1119 H1120 E1183	Q1117-F1119 PolarHBondContact O-N 2.82Å; Q1117-H1120 WeakPolarHBondContact O-CB 3.18Å; Q1117-H1120 PolarHBondContact O-N 3.31Å; Q1117-H1120 VanDerWaalsContact O-N 3.17Å; Q1117-E1183 HydrophobicContact CG-CG 4.33Å
1118	E	88.8	Confident	90.6	Very high	148 Å²	148	45.3 Å²	45.3	69%	0.692	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.2	-20.1	176.9	60	174.8	-165.8	0	0	114.4	P1116	P1116-E1118 VanDerWaalsContact C-N 3.26Å; P1116-E1118 PolarHBondContact O-N 3Å; P1116-E1118 VanDerWaalsContact O-N 3.11Å
1119	F	91.2	Very high	90.4	Very high	18 Å²	18	46.6 Å²	46.6	8%	0.079	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-96.3	-8.1	176.4	-58.2	-78.5	0	0	0	113.6	I1115 P1116 Q1117 E1121 K1122 C1123 H1139 L1140	I1115-F1119 HydrophobicContact CG2-CB 4Å; P1116-F1119 HydrophobicContact CB-CD2 3.99Å; P1116-F1119 HydrophobicContact CB-CE2 4.35Å; P1116-F1119 HydrophobicContact CG-CD2 4.16Å; P1116-F1119 HydrophobicContact CG-CE2 4.37Å; P1116-F1119 PolarHBondContact O-N 3.19Å; Q1117-F1119 PolarHBondContact O-N 2.82Å; F1119-E1121 PolarHBondContact O-N 2.96Å; F1119-K1122 HydrophobicContact CD1-CD 4.18Å; F1119-K1122 PolarHBondContact O-N 2.93Å; F1119-K1122 VanDerWaalsContact O-N 3.13Å; F1119-C1123 PolarHBondContact O-N 3.25Å; F1119-C1123 PolarHBondContact O-SG 3.25Å; F1119-H1139 HydrophobicContact CD1-CB 4.19Å; F1119-H1139 HydrophobicContact CE1-CB 3.97Å; F1119-H1139 WeakPolarHBondContact CE1-O 3.26Å; F1119-H1139 WeakPolarHBondContact CZ-O 3.42Å; F1119-L1140 HydrophobicContact CB-CD1 3.63Å; F1119-L1140 HydrophobicContact CB-CG 4.34Å; F1119-L1140 HydrophobicContact CD1-CD1 3.68Å; F1119-L1140 HydrophobicContact CD1-CG 4.44Å; F1119-L1140 HydrophobicContact CD2-CD1 4.02Å; F1119-L1140 HydrophobicContact CD2-CG 4Å; F1119-L1140 HydrophobicContact CE1-CD1 4.38Å; F1119-L1140 HydrophobicContact CE2-CG 4.45Å; F1119-L1140 HydrophobicContact CG-CD1 3.49Å; F1119-L1140 VanDerWaalsContact CG-CD1 3.49Å; F1119-L1140 HydrophobicContact CG-CG 4Å
1120	H	92.5	Very high	90.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-50.5	-175.8	-74.9	-165.1	0	0	0	112	S1113 I1115 P1116 Q1117 K1122 C1123 F1124 F1181	S1113-H1120 PolarHBondContact OG-NE2 3.06Å; I1115-H1120 PolarHBondContact O-CD2 2.82Å; I1115-H1120 PolarHBondContact O-NE2 3.17Å; P1116-H1120 PolarHBondContact O-CD2 3.35Å; P1116-H1120 VanDerWaalsContact O-CD2 3.22Å; Q1117-H1120 WeakPolarHBondContact O-CB 3.18Å; Q1117-H1120 PolarHBondContact O-N 3.31Å; Q1117-H1120 VanDerWaalsContact O-N 3.17Å; H1120-K1122 PolarHBondContact O-N 2.97Å; H1120-C1123 WeakPolarHBondContact O-CB 3.16Å; H1120-C1123 PolarHBondContact O-N 2.92Å; H1120-F1124 HydrophobicContact CB-CD2 4.35Å; H1120-F1124 HydrophobicContact CB-CE2 3.85Å; H1120-F1124 HydrophobicContact CB-CZ 4.22Å; H1120-F1124 WeakPolarHBondContact O-CB 3.37Å; H1120-F1124 VanDerWaalsContact O-CD2 3.28Å; H1120-F1124 WeakPolarHBondContact O-CD2 3.33Å; H1120-F1124 WeakPolarHBondContact O-CG 3.45Å; H1120-F1124 PolarHBondContact O-N 3.02Å; H1120-F1181 HydrophobicContact CB-CD1 4.38Å; H1120-F1181 AromaticContact CD2-CD1 3.57Å; H1120-F1181 VanDerWaalsContact CE1-C 3.5Å; H1120-F1181 PolarHBondContact CE1-O 2.82Å; H1120-F1181 VanDerWaalsContact CE1-O 3.22Å; H1120-F1181 AromaticContact CG-CD1 3.81Å; H1120-F1181 AromaticContact NE2-CD1 3.83Å
1121	E	89.5	Confident	90	Very high	94 Å²	94	52.1 Å²	52.1	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-31.7	179.2	-73.4	-59.2	140.6	0	0	113	F1119 F1124 N1125	F1119-E1121 PolarHBondContact O-N 2.96Å; E1121-F1124 PolarHBondContact O-N 2.83Å; E1121-N1125 WeakPolarHBondContact O-CB 3.45Å; E1121-N1125 VanDerWaalsContact O-CG 3.29Å; E1121-N1125 PolarHBondContact O-N 2.86Å; E1121-N1125 PolarHBondContact O-ND2 2.84Å
1122	K	91	Very high	90	Very high	104 Å²	104	52.9 Å²	52.9	45%	0.452	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-46.3	172.6	-68.7	179.7	-178.3	172.3	0	110.6	F1119 H1120 N1125 S1126	F1119-K1122 HydrophobicContact CD1-CD 4.18Å; F1119-K1122 PolarHBondContact O-N 2.93Å; F1119-K1122 VanDerWaalsContact O-N 3.13Å; H1120-K1122 PolarHBondContact O-N 2.97Å; K1122-N1125 PolarHBondContact O-N 2.78Å; K1122-S1126 WeakPolarHBondContact O-CB 3.37Å; K1122-S1126 PolarHBondContact O-N 2.95Å; K1122-S1126 PolarHBondContact O-OG 2.89Å
1123	C	92.4	Very high	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-48.5	176.5	-61	0	0	0	0	111.3	F1119 H1120 N1125 S1126 F1181 F1206	F1119-C1123 PolarHBondContact O-N 3.25Å; F1119-C1123 PolarHBondContact O-SG 3.25Å; H1120-C1123 WeakPolarHBondContact O-CB 3.16Å; H1120-C1123 PolarHBondContact O-N 2.92Å; C1123-N1125 VanDerWaalsContact C-N 3.29Å; C1123-N1125 PolarHBondContact O-N 3Å; C1123-S1126 PolarHBondContact O-N 2.77Å; C1123-S1126 PolarHBondContact O-OG 3.21Å; C1123-F1181 HydrophobicContact CB-CE1 3.8Å; C1123-F1181 HydrophobicContact CB-CZ 3.98Å; C1123-F1206 HydrophobicContact CB-CD2 3.84Å; C1123-F1206 HydrophobicContact CB-CE1 4.32Å; C1123-F1206 HydrophobicContact CB-CE2 3.54Å; C1123-F1206 HydrophobicContact CB-CG 4.36Å; C1123-F1206 HydrophobicContact CB-CZ 3.79Å; C1123-F1206 WeakPolarHBondContact O-CD2 3.37Å
1124	F	91.4	Very high	90	Very high	5 Å²	5	48 Å²	48	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-24.2	-179.2	-62.8	-23.8	0	0	0	114.7	H1120 E1121 L1127 F1181 K1202 R1203	H1120-F1124 HydrophobicContact CB-CD2 4.35Å; H1120-F1124 HydrophobicContact CB-CE2 3.85Å; H1120-F1124 HydrophobicContact CB-CZ 4.22Å; H1120-F1124 WeakPolarHBondContact O-CB 3.37Å; H1120-F1124 VanDerWaalsContact O-CD2 3.28Å; H1120-F1124 WeakPolarHBondContact O-CD2 3.33Å; H1120-F1124 WeakPolarHBondContact O-CG 3.45Å; H1120-F1124 PolarHBondContact O-N 3.02Å; E1121-F1124 PolarHBondContact O-N 2.83Å; F1124-L1127 WeakPolarHBondContact O-CD1 3.35Å; F1124-L1127 WeakPolarHBondContact O-CG 3.42Å; F1124-F1181 HydrophobicContact CD1-CE1 4.15Å; F1124-F1181 HydrophobicContact CD1-CZ 4.45Å; F1124-F1181 AromaticContact CE1-CD1 3.6Å; F1124-F1181 HydrophobicContact CE1-CD1 3.6Å; F1124-F1181 HydrophobicContact CE1-CD2 4.5Å; F1124-F1181 AromaticContact CE1-CE1 3.47Å; F1124-F1181 HydrophobicContact CE1-CE1 3.47Å; F1124-F1181 VanDerWaalsContact CE1-CE1 3.47Å; F1124-F1181 HydrophobicContact CE1-CE2 4.37Å; F1124-F1181 HydrophobicContact CE1-CG 4.13Å; F1124-F1181 AromaticContact CE1-CZ 3.86Å; F1124-F1181 HydrophobicContact CE1-CZ 3.86Å; F1124-F1181 HydrophobicContact CZ-CB 4.45Å; F1124-F1181 AromaticContact CZ-CD1 3.63Å; F1124-F1181 HydrophobicContact CZ-CD1 3.63Å; F1124-F1181 AromaticContact CZ-CE1 3.94Å; F1124-F1181 HydrophobicContact CZ-CE1 3.94Å; F1124-F1181 HydrophobicContact CZ-CG 4.16Å; F1124-K1202 HydrophobicContact CB-CD 3.97Å; F1124-K1202 HydrophobicContact CD1-CB 3.8Å; F1124-K1202 HydrophobicContact CD2-CD 4.32Å; F1124-K1202 HydrophobicContact CE1-CB 4.16Å; F1124-K1202 HydrophobicContact CG-CB 4.1Å; F1124-K1202 HydrophobicContact CG-CD 4.07Å; F1124-R1203 HydrophobicContact CE1-CB 4.5Å; F1124-R1203 HydrophobicContact CE1-CG 3.76Å; F1124-R1203 HydrophobicContact CZ-CG 3.68Å
1125	N	90.3	Very high	89.8	Confident	118 Å²	118	53.5 Å²	53.5	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-88	-11.2	173.7	-68.3	-49.2	0	0	0	112.8	E1121 K1122 C1123	E1121-N1125 WeakPolarHBondContact O-CB 3.45Å; E1121-N1125 VanDerWaalsContact O-CG 3.29Å; E1121-N1125 PolarHBondContact O-N 2.86Å; E1121-N1125 PolarHBondContact O-ND2 2.84Å; K1122-N1125 PolarHBondContact O-N 2.78Å; C1123-N1125 VanDerWaalsContact C-N 3.29Å; C1123-N1125 PolarHBondContact O-N 3Å
1126	S	90.2	Very high	89.6	Confident	11 Å²	11	53.9 Å²	53.9	8%	0.077	28%	0.281	C	S	.	.			trans	-91.4	5.5	178	71.9	0	0	0	0	115.1	K1122 C1123 A1128 S1132 A1136 F1206	K1122-S1126 WeakPolarHBondContact O-CB 3.37Å; K1122-S1126 PolarHBondContact O-N 2.95Å; K1122-S1126 PolarHBondContact O-OG 2.89Å; C1123-S1126 PolarHBondContact O-N 2.77Å; C1123-S1126 PolarHBondContact O-OG 3.21Å; S1126-A1128 PolarHBondContact O-N 3.33Å; S1126-S1132 WeakPolarHBondContact CB-O 3.14Å; S1126-S1132 WeakPolarHBondContact O-CB 3.46Å; S1126-A1136 WeakPolarHBondContact OG-CB 3.3Å; S1126-F1206 WeakPolarHBondContact OG-CE2 3.39Å
1127	L	90.6	Very high	89.6	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.267	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	2.1	-175.5	-69.1	175.2	0	0	0	116.1	F1124 K1202 A1205 F1206 I1209	F1124-L1127 WeakPolarHBondContact O-CD1 3.35Å; F1124-L1127 WeakPolarHBondContact O-CG 3.42Å; L1127-K1202 HydrophobicContact CD1-CB 4.19Å; L1127-K1202 HydrophobicContact CD1-CG 3.97Å; L1127-A1205 HydrophobicContact CD1-CB 4.4Å; L1127-A1205 HydrophobicContact CD2-CB 4.03Å; L1127-F1206 HydrophobicContact CD2-CB 3.77Å; L1127-F1206 HydrophobicContact CD2-CD2 4Å; L1127-F1206 HydrophobicContact CD2-CG 4.4Å; L1127-I1209 HydrophobicContact CB-CD1 4.4Å; L1127-I1209 HydrophobicContact CD2-CD1 3.81Å
1128	A	85	Confident	89.5	Confident	88 Å²	88	54.5 Å²	54.5	73%	0.727	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-33.7	-174.5	0	0	0	0	0	114.1	S1126	S1126-A1128 PolarHBondContact O-N 3.33Å
1129	N	86.1	Confident	89.4	Confident	70 Å²	70	52.9 Å²	52.9	37%	0.374	28%	0.275	S	S	.	.			trans	-162.1	169.9	178.5	55.2	51.7	0	0	0	111.3	E1131 S1132 A1133	N1129-E1131 WeakPolarHBondContact CB-OE2 3.42Å; N1129-S1132 VanDerWaalsContact OD1-CB 3.23Å; N1129-S1132 WeakPolarHBondContact OD1-CB 3.44Å; N1129-S1132 PolarHBondContact OD1-N 2.99Å; N1129-S1132 PolarHBondContact OD1-OG 3.4Å; N1129-A1133 PolarHBondContact O-N 3.49Å
1130	F	87.6	Confident	89.2	Confident	18 Å²	18	52.4 Å²	52.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-38.1	-176.6	178.2	-96.2	0	0	0	112.2	S1132 A1133 V1134 I1209 F1210 Q1213 Y1215	F1130-S1132 PolarHBondContact O-N 3.33Å; F1130-A1133 PolarHBondContact O-N 3.01Å; F1130-V1134 HydrophobicContact CD1-CG2 4.03Å; F1130-V1134 HydrophobicContact CE1-CG2 3.58Å; F1130-V1134 HydrophobicContact CE2-CG2 4.27Å; F1130-V1134 HydrophobicContact CZ-CG2 3.71Å; F1130-V1134 WeakPolarHBondContact O-CG2 3.33Å; F1130-V1134 PolarHBondContact O-N 2.92Å; F1130-I1209 HydrophobicContact CB-CG2 4.07Å; F1130-I1209 HydrophobicContact CD2-CG2 3.97Å; F1130-I1209 HydrophobicContact CG-CG2 4.5Å; F1130-F1210 HydrophobicContact CD2-CD1 4.27Å; F1130-F1210 HydrophobicContact CD2-CE1 4.36Å; F1130-F1210 AromaticContact CE2-CD1 3.57Å; F1130-F1210 HydrophobicContact CE2-CD1 3.57Å; F1130-F1210 AromaticContact CE2-CE1 3.81Å; F1130-F1210 HydrophobicContact CE2-CE1 3.81Å; F1130-F1210 HydrophobicContact CE2-CG 4.37Å; F1130-F1210 HydrophobicContact CZ-CD1 4.32Å; F1130-F1210 HydrophobicContact CZ-CE1 4.34Å; F1130-Q1213 HydrophobicContact CB-CG 4.17Å; F1130-Q1213 HydrophobicContact CD2-CB 3.74Å; F1130-Q1213 HydrophobicContact CD2-CG 3.64Å; F1130-Q1213 HydrophobicContact CE2-CB 3.74Å; F1130-Q1213 HydrophobicContact CE2-CG 4.16Å; F1130-Q1213 HydrophobicContact CG-CB 4.38Å; F1130-Q1213 HydrophobicContact CG-CG 3.89Å; F1130-Q1213 HydrophobicContact CZ-CB 4.38Å; F1130-Y1215 HydrophobicContact CE1-CD1 4.46Å; F1130-Y1215 AromaticContact CE1-CD2 3.46Å; F1130-Y1215 HydrophobicContact CE1-CD2 3.46Å; F1130-Y1215 VanDerWaalsContact CE1-CD2 3.46Å; F1130-Y1215 AromaticContact CE1-CE2 3.8Å; F1130-Y1215 HydrophobicContact CE1-CE2 3.8Å; F1130-Y1215 AromaticContact CE1-CG 3.83Å; F1130-Y1215 HydrophobicContact CE1-CG 3.83Å; F1130-Y1215 HydrophobicContact CZ-CD1 4.07Å; F1130-Y1215 AromaticContact CZ-CD2 3.74Å; F1130-Y1215 HydrophobicContact CZ-CD2 3.74Å; F1130-Y1215 HydrophobicContact CZ-CE2 4.35Å; F1130-Y1215 AromaticContact CZ-CG 3.58Å; F1130-Y1215 HydrophobicContact CZ-CG 3.58Å
1131	E	88.3	Confident	88.9	Confident	111 Å²	111	54.7 Å²	54.7	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-43.6	-179.4	-62.3	73.1	-163.4	0	0	111.3	N1129 V1134 Q1135	N1129-E1131 WeakPolarHBondContact CB-OE2 3.42Å; E1131-V1134 PolarHBondContact O-N 3.32Å; E1131-Q1135 WeakPolarHBondContact O-CG 3.28Å; E1131-Q1135 PolarHBondContact O-N 3.23Å
1132	S	89.9	Confident	88.5	Confident	37 Å²	37	55.7 Å²	55.7	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-40.5	175.3	-56.8	0	0	0	0	111.4	S1126 N1129 F1130 Q1135 A1136	S1126-S1132 WeakPolarHBondContact CB-O 3.14Å; S1126-S1132 WeakPolarHBondContact O-CB 3.46Å; N1129-S1132 VanDerWaalsContact OD1-CB 3.23Å; N1129-S1132 WeakPolarHBondContact OD1-CB 3.44Å; N1129-S1132 PolarHBondContact OD1-N 2.99Å; N1129-S1132 PolarHBondContact OD1-OG 3.4Å; F1130-S1132 PolarHBondContact O-N 3.33Å; S1132-Q1135 PolarHBondContact O-N 3.47Å; S1132-A1136 PolarHBondContact O-N 2.69Å
1133	A	90.4	Very high	88.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-39	178.6	0	0	0	0	0	112.1	N1129 F1130 A1136 L1137 F1206 I1209 F1210	N1129-A1133 PolarHBondContact O-N 3.49Å; F1130-A1133 PolarHBondContact O-N 3.01Å; A1133-A1136 PolarHBondContact O-N 3.38Å; A1133-L1137 PolarHBondContact O-N 2.77Å; A1133-F1206 HydrophobicContact CB-CE2 3.87Å; A1133-F1206 HydrophobicContact CB-CZ 4.35Å; A1133-I1209 HydrophobicContact CB-CG2 4.04Å; A1133-F1210 HydrophobicContact CB-CE2 3.7Å; A1133-F1210 HydrophobicContact CB-CZ 3.64Å
1134	V	88.7	Confident	88.1	Confident	21 Å²	21	52.2 Å²	52.2	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-43.2	171.4	170.7	0	0	0	0	111.1	F1130 E1131 A1136 L1137 Q1138 F1210	F1130-V1134 HydrophobicContact CD1-CG2 4.03Å; F1130-V1134 HydrophobicContact CE1-CG2 3.58Å; F1130-V1134 HydrophobicContact CE2-CG2 4.27Å; F1130-V1134 HydrophobicContact CZ-CG2 3.71Å; F1130-V1134 WeakPolarHBondContact O-CG2 3.33Å; F1130-V1134 PolarHBondContact O-N 2.92Å; E1131-V1134 PolarHBondContact O-N 3.32Å; V1134-A1136 VanDerWaalsContact C-N 3.3Å; V1134-A1136 PolarHBondContact O-N 2.89Å; V1134-L1137 PolarHBondContact O-N 3.37Å; V1134-Q1138 WeakPolarHBondContact O-CG 3.48Å; V1134-Q1138 PolarHBondContact O-N 2.92Å; V1134-F1210 HydrophobicContact CG2-CE1 3.85Å; V1134-F1210 HydrophobicContact CG2-CZ 4.34Å
1135	Q	88.3	Confident	88	Confident	116 Å²	116	53.4 Å²	53.4	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-35.7	174.8	-72.7	174.7	13.2	0	0	112.5	E1131 S1132 Q1138 H1139	E1131-Q1135 WeakPolarHBondContact O-CG 3.28Å; E1131-Q1135 PolarHBondContact O-N 3.23Å; S1132-Q1135 PolarHBondContact O-N 3.47Å; Q1135-Q1138 PolarHBondContact O-N 2.58Å; Q1135-H1139 PolarHBondContact O-CE1 3.37Å; Q1135-H1139 PolarHBondContact O-ND1 2.9Å
1136	A	90.4	Very high	87.8	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-43.7	172.7	0	0	0	0	0	111.7	S1126 S1132 A1133 V1134 Q1138 H1139	S1126-A1136 WeakPolarHBondContact OG-CB 3.3Å; S1132-A1136 PolarHBondContact O-N 2.69Å; A1133-A1136 PolarHBondContact O-N 3.38Å; V1134-A1136 VanDerWaalsContact C-N 3.3Å; V1134-A1136 PolarHBondContact O-N 2.89Å; A1136-Q1138 PolarHBondContact O-N 2.9Å; A1136-H1139 PolarHBondContact O-N 3.16Å
1137	L	89	Confident	87.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-36.2	176.5	-71.4	177	0	0	0	113.6	I1115 A1133 V1134 H1139 L1140 Q1145 F1148 Y1149 F1206 F1210	I1115-L1137 HydrophobicContact CD1-CD2 4.41Å; A1133-L1137 PolarHBondContact O-N 2.77Å; V1134-L1137 PolarHBondContact O-N 3.37Å; L1137-H1139 PolarHBondContact O-N 3.05Å; L1137-L1140 HydrophobicContact CD2-CD2 4.02Å; L1137-L1140 WeakPolarHBondContact O-CB 3.39Å; L1137-L1140 PolarHBondContact O-N 2.9Å; L1137-Q1145 VanDerWaalsContact O-CG 3.29Å; L1137-Q1145 WeakPolarHBondContact O-CG 3.34Å; L1137-Q1145 PolarHBondContact O-NE2 3.46Å; L1137-F1148 HydrophobicContact CD1-CD1 3.53Å; L1137-F1148 HydrophobicContact CD1-CE1 3.26Å; L1137-F1148 HydrophobicContact CD1-CG 4.41Å; L1137-F1148 HydrophobicContact CD1-CZ 3.96Å; L1137-F1148 HydrophobicContact CD2-CD1 4.08Å; L1137-F1148 HydrophobicContact CD2-CD2 4.29Å; L1137-F1148 HydrophobicContact CD2-CE1 4.15Å; L1137-F1148 HydrophobicContact CD2-CE2 4.34Å; L1137-F1148 HydrophobicContact CD2-CG 4.16Å; L1137-F1148 HydrophobicContact CD2-CZ 4.28Å; L1137-F1148 HydrophobicContact CG-CD1 4.48Å; L1137-F1148 HydrophobicContact CG-CE1 4.34Å; L1137-Y1149 HydrophobicContact CD1-CE1 3.75Å; L1137-F1206 HydrophobicContact CD2-CE1 4.09Å; L1137-F1206 HydrophobicContact CD2-CZ 4.07Å; L1137-F1206 HydrophobicContact CG-CE1 4.45Å; L1137-F1206 HydrophobicContact CG-CZ 4.1Å; L1137-F1210 HydrophobicContact CD1-CD1 4.47Å; L1137-F1210 HydrophobicContact CD1-CE1 3.55Å; L1137-F1210 HydrophobicContact CD1-CE2 3.95Å; L1137-F1210 HydrophobicContact CD1-CZ 3.25Å; L1137-F1210 HydrophobicContact CG-CZ 4.08Å
1138	Q	87.4	Confident	88	Confident	121 Å²	121	46.2 Å²	46.2	57%	0.565	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.6	178.8	-77.2	172.7	-13.6	0	0	114.1	V1134 Q1135 A1136 Q1145	V1134-Q1138 WeakPolarHBondContact O-CG 3.48Å; V1134-Q1138 PolarHBondContact O-N 2.92Å; Q1135-Q1138 PolarHBondContact O-N 2.58Å; A1136-Q1138 PolarHBondContact O-N 2.9Å; Q1138-Q1145 PolarHBondContact O-NE2 2.84Å
1139	H	86.9	Confident	88.3	Confident	114 Å²	114	43.6 Å²	43.6	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-14	176.2	-68	82.2	0	0	0	114.4	F1119 Q1135 A1136 L1137	F1119-H1139 HydrophobicContact CD1-CB 4.19Å; F1119-H1139 HydrophobicContact CE1-CB 3.97Å; F1119-H1139 WeakPolarHBondContact CE1-O 3.26Å; F1119-H1139 WeakPolarHBondContact CZ-O 3.42Å; Q1135-H1139 PolarHBondContact O-CE1 3.37Å; Q1135-H1139 PolarHBondContact O-ND1 2.9Å; A1136-H1139 PolarHBondContact O-N 3.16Å; L1137-H1139 PolarHBondContact O-N 3.05Å
1140	L	88	Confident	88.6	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-73.1	160.1	179.8	-84.7	59	0	0	0	111.4	I1115 F1119 L1137 N1144 Q1145	I1115-L1140 HydrophobicContact CB-CD2 4.32Å; I1115-L1140 HydrophobicContact CG1-CD2 4.04Å; I1115-L1140 HydrophobicContact CG2-CD2 4.19Å; F1119-L1140 HydrophobicContact CB-CD1 3.63Å; F1119-L1140 HydrophobicContact CB-CG 4.34Å; F1119-L1140 HydrophobicContact CD1-CD1 3.68Å; F1119-L1140 HydrophobicContact CD1-CG 4.44Å; F1119-L1140 HydrophobicContact CD2-CD1 4.02Å; F1119-L1140 HydrophobicContact CD2-CG 4Å; F1119-L1140 HydrophobicContact CE1-CD1 4.38Å; F1119-L1140 HydrophobicContact CE2-CG 4.45Å; F1119-L1140 HydrophobicContact CG-CD1 3.49Å; F1119-L1140 VanDerWaalsContact CG-CD1 3.49Å; F1119-L1140 HydrophobicContact CG-CG 4Å; L1137-L1140 HydrophobicContact CD2-CD2 4.02Å; L1137-L1140 WeakPolarHBondContact O-CB 3.39Å; L1137-L1140 PolarHBondContact O-N 2.9Å; L1140-N1144 HydrophobicContact CB-CB 4.34Å; L1140-N1144 HydrophobicContact CD2-CB 4.27Å; L1140-Q1145 HydrophobicContact CB-CG 3.83Å; L1140-Q1145 PolarHBondContact O-NE2 3.27Å
1141	P	85.3	Confident	88.9	Confident	54 Å²	54	41.3 Å²	41.3	35%	0.351	21%	0.207	S	C	.	.			trans	-53.5	142	166.1	-23.2	33.3	0	0	0	111.8	C1143 N1144 Q1145	P1141-C1143 VanDerWaalsContact C-N 3.25Å; P1141-C1143 PolarHBondContact O-N 2.87Å; P1141-N1144 HydrophobicContact CB-CB 4.5Å; P1141-N1144 WeakPolarHBondContact O-CA 3.31Å; P1141-N1144 WeakPolarHBondContact O-CB 3.12Å; P1141-N1144 PolarHBondContact O-N 2.88Å; P1141-Q1145 PolarHBondContact O-N 3.37Å
1142	I	82.1	Confident	89.2	Confident	116 Å²	116	36 Å²	36	60%	0.595	18%	0.183	S	C	*	.	H	α-helix	trans	-58.4	-36.8	-173.4	-63.5	166.2	0	0	0	111.8	Q1145 N1146	I1142-Q1145 PolarHBondContact O-N 3.2Å; I1142-N1146 WeakPolarHBondContact O-CB 3.32Å; I1142-N1146 VanDerWaalsContact O-CG 3.26Å; I1142-N1146 PolarHBondContact O-N 2.73Å; I1142-N1146 PolarHBondContact O-OD1 3.46Å
1143	C	84.1	Confident	89.2	Confident	18 Å²	18	35.7 Å²	35.7	12%	0.122	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-42.5	173.7	43.1	0	0	0	0	113.2	L995 L999 L1033 P1141 N1146 L1147	L995-C1143 HydrophobicContact CD2-CB 4.31Å; L999-C1143 HydrophobicContact CD1-CB 3.4Å; L999-C1143 VanDerWaalsContact CD1-CB 3.4Å; L1033-C1143 HydrophobicContact CD2-CB 4.39Å; P1141-C1143 VanDerWaalsContact C-N 3.25Å; P1141-C1143 PolarHBondContact O-N 2.87Å; C1143-N1146 PolarHBondContact O-N 2.76Å; C1143-L1147 WeakPolarHBondContact O-CB 3.49Å; C1143-L1147 PolarHBondContact O-N 3.01Å
1144	N	90	Very high	89.3	Confident	12 Å²	12	36 Å²	36	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-40.1	175.2	-67.7	73.9	0	0	0	111.6	V1114 L1140 P1141 L1147 F1148	V1114-N1144 WeakPolarHBondContact O-CB 3.16Å; V1114-N1144 PolarHBondContact O-ND2 3.33Å; L1140-N1144 HydrophobicContact CB-CB 4.34Å; L1140-N1144 HydrophobicContact CD2-CB 4.27Å; P1141-N1144 HydrophobicContact CB-CB 4.5Å; P1141-N1144 WeakPolarHBondContact O-CA 3.31Å; P1141-N1144 WeakPolarHBondContact O-CB 3.12Å; P1141-N1144 PolarHBondContact O-N 2.88Å; N1144-L1147 PolarHBondContact O-N 2.77Å; N1144-F1148 VanDerWaalsContact O-CB 3.31Å; N1144-F1148 WeakPolarHBondContact O-CB 3.18Å; N1144-F1148 PolarHBondContact O-N 2.89Å
1145	Q	88.6	Confident	89.6	Confident	31 Å²	31	35 Å²	35	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-49	173.5	-65.9	-170.5	50.7	0	0	111.4	L1137 Q1138 L1140 P1141 I1142 L1147 F1148 Y1149	L1137-Q1145 VanDerWaalsContact O-CG 3.29Å; L1137-Q1145 WeakPolarHBondContact O-CG 3.34Å; L1137-Q1145 PolarHBondContact O-NE2 3.46Å; Q1138-Q1145 PolarHBondContact O-NE2 2.84Å; L1140-Q1145 HydrophobicContact CB-CG 3.83Å; L1140-Q1145 PolarHBondContact O-NE2 3.27Å; P1141-Q1145 PolarHBondContact O-N 3.37Å; I1142-Q1145 PolarHBondContact O-N 3.2Å; Q1145-L1147 PolarHBondContact O-N 3.02Å; Q1145-F1148 PolarHBondContact O-N 2.88Å; Q1145-Y1149 HydrophobicContact CB-CD2 4.38Å; Q1145-Y1149 HydrophobicContact CB-CE2 4.18Å; Q1145-Y1149 WeakPolarHBondContact O-CD2 3.45Å; Q1145-Y1149 PolarHBondContact O-N 3.31Å
1146	N	87.5	Confident	89.8	Confident	28 Å²	28	29.9 Å²	29.9	15%	0.15	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-45.7	178.7	-72.9	-2.3	0	0	0	111.9	I1142 C1143 Y1150	I1142-N1146 WeakPolarHBondContact O-CB 3.32Å; I1142-N1146 VanDerWaalsContact O-CG 3.26Å; I1142-N1146 PolarHBondContact O-N 2.73Å; I1142-N1146 PolarHBondContact O-OD1 3.46Å; C1143-N1146 PolarHBondContact O-N 2.76Å; N1146-Y1150 VanDerWaalsContact O-CB 3.28Å; N1146-Y1150 WeakPolarHBondContact O-CB 3.29Å; N1146-Y1150 PolarHBondContact O-N 3.23Å
1147	L	91.6	Very high	89.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-43.5	177.4	-179.6	60	0	0	0	111.9	L995 V1044 I1048 L1107 V1114 C1143 N1144 Q1145 Y1150 L1151	L995-L1147 HydrophobicContact CD1-CD2 3.89Å; L995-L1147 HydrophobicContact CD2-CD2 3.96Å; V1044-L1147 HydrophobicContact CG1-CD1 4.44Å; I1048-L1147 HydrophobicContact CD1-CD1 3.73Å; I1048-L1147 HydrophobicContact CD1-CD2 4.18Å; I1048-L1147 HydrophobicContact CG2-CD1 4.1Å; L1107-L1147 HydrophobicContact CD2-CD2 4.49Å; V1114-L1147 HydrophobicContact CG1-CD2 4.18Å; V1114-L1147 HydrophobicContact CG1-CG 4.17Å; V1114-L1147 HydrophobicContact CG2-CD2 4.19Å; C1143-L1147 WeakPolarHBondContact O-CB 3.49Å; C1143-L1147 PolarHBondContact O-N 3.01Å; N1144-L1147 PolarHBondContact O-N 2.77Å; Q1145-L1147 PolarHBondContact O-N 3.02Å; L1147-Y1150 PolarHBondContact O-N 2.85Å; L1147-L1151 HydrophobicContact CD1-CD1 3.76Å; L1147-L1151 HydrophobicContact CD1-CG 4.06Å; L1147-L1151 HydrophobicContact CG-CD1 3.95Å; L1147-L1151 WeakPolarHBondContact O-CB 3.41Å; L1147-L1151 WeakPolarHBondContact O-CG 3.48Å; L1147-L1151 PolarHBondContact O-N 3.28Å
1148	F	93.3	Very high	90.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-51.7	176.8	-179.9	-85.7	0	0	0	111.3	V1114 I1115 L1137 N1144 Q1145 Y1150 L1151 I1152 F1180 F1206 I1207 F1210	V1114-F1148 HydrophobicContact CG1-CB 4.24Å; I1115-F1148 HydrophobicContact CD1-CD2 4Å; I1115-F1148 HydrophobicContact CD1-CE2 3.8Å; I1115-F1148 HydrophobicContact CG1-CD2 4.12Å; I1115-F1148 HydrophobicContact CG1-CE2 4.44Å; L1137-F1148 HydrophobicContact CD1-CD1 3.53Å; L1137-F1148 HydrophobicContact CD1-CE1 3.26Å; L1137-F1148 HydrophobicContact CD1-CG 4.41Å; L1137-F1148 HydrophobicContact CD1-CZ 3.96Å; L1137-F1148 HydrophobicContact CD2-CD1 4.08Å; L1137-F1148 HydrophobicContact CD2-CD2 4.29Å; L1137-F1148 HydrophobicContact CD2-CE1 4.15Å; L1137-F1148 HydrophobicContact CD2-CE2 4.34Å; L1137-F1148 HydrophobicContact CD2-CG 4.16Å; L1137-F1148 HydrophobicContact CD2-CZ 4.28Å; L1137-F1148 HydrophobicContact CG-CD1 4.48Å; L1137-F1148 HydrophobicContact CG-CE1 4.34Å; N1144-F1148 VanDerWaalsContact O-CB 3.31Å; N1144-F1148 WeakPolarHBondContact O-CB 3.18Å; N1144-F1148 PolarHBondContact O-N 2.89Å; Q1145-F1148 PolarHBondContact O-N 2.88Å; F1148-Y1150 PolarHBondContact O-N 3.27Å; F1148-L1151 PolarHBondContact O-N 2.71Å; F1148-I1152 HydrophobicContact CD1-CG1 3.85Å; F1148-I1152 HydrophobicContact CE1-CD1 4.09Å; F1148-I1152 HydrophobicContact CE1-CG1 3.39Å; F1148-I1152 HydrophobicContact CE2-CD1 4.46Å; F1148-I1152 HydrophobicContact CE2-CG1 4.35Å; F1148-I1152 HydrophobicContact CG-CG1 4.48Å; F1148-I1152 HydrophobicContact CZ-CD1 3.88Å; F1148-I1152 HydrophobicContact CZ-CG1 3.69Å; F1148-I1152 WeakPolarHBondContact O-CB 3.27Å; F1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; F1148-I1152 PolarHBondContact O-N 3.43Å; F1148-F1180 AromaticContact CD2-CD2 3.59Å; F1148-F1180 HydrophobicContact CD2-CD2 3.59Å; F1148-F1180 AromaticContact CD2-CE2 3.63Å; F1148-F1180 HydrophobicContact CD2-CE2 3.63Å; F1148-F1180 AromaticContact CE2-CD2 3.66Å; F1148-F1180 HydrophobicContact CE2-CD2 3.66Å; F1148-F1180 AromaticContact CE2-CE2 3.84Å; F1148-F1180 HydrophobicContact CE2-CE2 3.84Å; F1148-F1180 HydrophobicContact CG-CE2 4.49Å; F1148-F1206 HydrophobicContact CE2-CD1 4.46Å; F1148-F1206 HydrophobicContact CE2-CE1 4.05Å; F1148-F1206 HydrophobicContact CZ-CD1 4.41Å; F1148-F1206 AromaticContact CZ-CE1 3.91Å; F1148-F1206 HydrophobicContact CZ-CE1 3.91Å; F1148-I1207 HydrophobicContact CE2-CD1 3.85Å; F1148-I1207 HydrophobicContact CZ-CD1 4.36Å; F1148-F1210 HydrophobicContact CE1-CD1 4.07Å; F1148-F1210 HydrophobicContact CE1-CD2 4Å; F1148-F1210 HydrophobicContact CE1-CE1 4.22Å; F1148-F1210 HydrophobicContact CE1-CE2 4.16Å; F1148-F1210 AromaticContact CE1-CG 3.98Å; F1148-F1210 HydrophobicContact CE1-CG 3.98Å; F1148-F1210 HydrophobicContact CE1-CZ 4.28Å; F1148-F1210 AromaticContact CZ-CD2 3.7Å; F1148-F1210 HydrophobicContact CZ-CD2 3.7Å; F1148-F1210 AromaticContact CZ-CE2 3.94Å; F1148-F1210 HydrophobicContact CZ-CE2 3.94Å; F1148-F1210 HydrophobicContact CZ-CG 4.06Å; F1148-F1210 HydrophobicContact CZ-CZ 4.5Å
1149	Y	90.8	Very high	90.4	Very high	32 Å²	32	30.8 Å²	30.8	13%	0.125	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-179.1	-68.1	-54.4	0	0	0	112.7	L1137 Q1145 T1153 F1210 F1216	L1137-Y1149 HydrophobicContact CD1-CE1 3.75Å; Q1145-Y1149 HydrophobicContact CB-CD2 4.38Å; Q1145-Y1149 HydrophobicContact CB-CE2 4.18Å; Q1145-Y1149 WeakPolarHBondContact O-CD2 3.45Å; Q1145-Y1149 PolarHBondContact O-N 3.31Å; Y1149-T1153 WeakPolarHBondContact O-CB 3.31Å; Y1149-T1153 PolarHBondContact O-N 2.75Å; Y1149-T1153 PolarHBondContact O-OG1 2.73Å; Y1149-F1210 HydrophobicContact CE1-CE1 4.36Å; Y1149-F1216 AromaticContact CD1-CE2 3.94Å; Y1149-F1216 HydrophobicContact CD1-CE2 3.94Å; Y1149-F1216 AromaticContact CD1-CZ 3.5Å; Y1149-F1216 HydrophobicContact CD1-CZ 3.5Å; Y1149-F1216 VanDerWaalsContact CD1-CZ 3.5Å; Y1149-F1216 AromaticContact CE1-CZ 3.99Å; Y1149-F1216 HydrophobicContact CE1-CZ 3.99Å; Y1149-F1216 HydrophobicContact CG-CZ 4.1Å
1150	Y	92.3	Very high	90.6	Very high	40 Å²	40	28.7 Å²	28.7	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-48.4	173	179.3	-103.6	0	0	0	111.9	V1044 I1048 F1049 V1052 N1146 L1147 F1148 T1153 F1154	V1044-Y1150 HydrophobicContact CB-CD1 4.5Å; V1044-Y1150 HydrophobicContact CG1-CD1 4.13Å; V1044-Y1150 HydrophobicContact CG1-CD2 4.45Å; V1044-Y1150 HydrophobicContact CG1-CG 3.88Å; V1044-Y1150 HydrophobicContact CG2-CD1 4.21Å; V1044-Y1150 HydrophobicContact CG2-CD2 4.32Å; V1044-Y1150 HydrophobicContact CG2-CE1 4.19Å; V1044-Y1150 HydrophobicContact CG2-CE2 4.31Å; V1044-Y1150 HydrophobicContact CG2-CG 4.28Å; I1048-Y1150 HydrophobicContact CG2-CE1 4.35Å; F1049-Y1150 HydrophobicContact CD2-CE2 4.44Å; F1049-Y1150 WeakPolarHBondContact CD2-OH 3.33Å; V1052-Y1150 HydrophobicContact CB-CE1 3.98Å; V1052-Y1150 HydrophobicContact CG1-CE1 3.83Å; V1052-Y1150 VanDerWaalsContact CG1-OH 3.29Å; V1052-Y1150 WeakPolarHBondContact CG1-OH 3.27Å; V1052-Y1150 HydrophobicContact CG2-CE1 4.02Å; N1146-Y1150 VanDerWaalsContact O-CB 3.28Å; N1146-Y1150 WeakPolarHBondContact O-CB 3.29Å; N1146-Y1150 PolarHBondContact O-N 3.23Å; L1147-Y1150 PolarHBondContact O-N 2.85Å; F1148-Y1150 PolarHBondContact O-N 3.27Å; Y1150-T1153 PolarHBondContact O-N 2.97Å; Y1150-F1154 PolarHBondContact O-N 2.91Å
1151	L	94.3	Very high	90.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-71.9	-33.9	-179.5	-66	172.1	0	0	0	113	I1048 V1052 L1107 L1147 F1148 F1154 M1155 F1180	I1048-L1151 HydrophobicContact CG2-CD2 4.1Å; V1052-L1151 HydrophobicContact CG2-CD2 4.09Å; L1107-L1151 HydrophobicContact CD1-CD1 3.9Å; L1107-L1151 HydrophobicContact CD2-CD1 3.83Å; L1147-L1151 HydrophobicContact CD1-CD1 3.76Å; L1147-L1151 HydrophobicContact CD1-CG 4.06Å; L1147-L1151 HydrophobicContact CG-CD1 3.95Å; L1147-L1151 WeakPolarHBondContact O-CB 3.41Å; L1147-L1151 WeakPolarHBondContact O-CG 3.48Å; L1147-L1151 PolarHBondContact O-N 3.28Å; F1148-L1151 PolarHBondContact O-N 2.71Å; L1151-F1154 PolarHBondContact O-N 2.9Å; L1151-M1155 HydrophobicContact CB-CE 4.49Å; L1151-M1155 WeakPolarHBondContact O-CE 3.49Å; L1151-M1155 WeakPolarHBondContact O-CG 3.42Å; L1151-M1155 PolarHBondContact O-N 3.35Å; L1151-F1180 HydrophobicContact CB-CZ 3.68Å; L1151-F1180 HydrophobicContact CD1-CE1 3.71Å; L1151-F1180 HydrophobicContact CD1-CZ 3.62Å; L1151-F1180 HydrophobicContact CG-CZ 4.32Å
1152	I	93.3	Very high	91.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-47.1	167.8	-73.9	-59.3	0	0	0	110.6	F1148 F1154 M1155 Q1156 I1207 F1210 L1211 F1216	F1148-I1152 HydrophobicContact CD1-CG1 3.85Å; F1148-I1152 HydrophobicContact CE1-CD1 4.09Å; F1148-I1152 HydrophobicContact CE1-CG1 3.39Å; F1148-I1152 HydrophobicContact CE2-CD1 4.46Å; F1148-I1152 HydrophobicContact CE2-CG1 4.35Å; F1148-I1152 HydrophobicContact CG-CG1 4.48Å; F1148-I1152 HydrophobicContact CZ-CD1 3.88Å; F1148-I1152 HydrophobicContact CZ-CG1 3.69Å; F1148-I1152 WeakPolarHBondContact O-CB 3.27Å; F1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; F1148-I1152 PolarHBondContact O-N 3.43Å; I1152-F1154 VanDerWaalsContact C-N 3.32Å; I1152-F1154 PolarHBondContact O-N 2.91Å; I1152-M1155 HydrophobicContact CD1-CE 3.98Å; I1152-M1155 PolarHBondContact O-N 3.06Å; I1152-Q1156 HydrophobicContact CG2-CG 4.41Å; I1152-Q1156 WeakPolarHBondContact O-CB 3.49Å; I1152-Q1156 WeakPolarHBondContact O-CG 3.5Å; I1152-Q1156 PolarHBondContact O-N 3.06Å; I1152-I1207 HydrophobicContact CD1-CG2 4.18Å; I1152-F1210 HydrophobicContact CD1-CB 3.64Å; I1152-F1210 HydrophobicContact CD1-CG 4.4Å; I1152-F1210 HydrophobicContact CG1-CB 4.05Å; I1152-F1210 HydrophobicContact CG2-CB 3.98Å; I1152-L1211 HydrophobicContact CD1-CD2 4.11Å; I1152-F1216 HydrophobicContact CG2-CE2 4.41Å
1153	T	90.9	Very high	91.8	Very high	31 Å²	31	34.6 Å²	34.6	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-39.1	-179.4	-53.5	0	0	0	0	111.2	Y1149 Y1150 Q1156 R1157 M1223	Y1149-T1153 WeakPolarHBondContact O-CB 3.31Å; Y1149-T1153 PolarHBondContact O-N 2.75Å; Y1149-T1153 PolarHBondContact O-OG1 2.73Å; Y1150-T1153 PolarHBondContact O-N 2.97Å; T1153-Q1156 PolarHBondContact O-N 3.48Å; T1153-R1157 WeakPolarHBondContact O-CB 3.48Å; T1153-R1157 PolarHBondContact O-N 3.32Å; T1153-M1223 HydrophobicContact CG2-CE 3.92Å; T1153-M1223 HydrophobicContact CG2-SD 3.98Å
1154	F	93.3	Very high	92.3	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-44.7	172.9	165.6	-118.6	0	0	0	113.2	V1052 I1055 F1065 L1103 Y1150 L1151 I1152 R1157 C1158	V1052-F1154 HydrophobicContact CG1-CB 3.97Å; V1052-F1154 HydrophobicContact CG1-CD1 4.19Å; V1052-F1154 HydrophobicContact CG1-CD2 3.58Å; V1052-F1154 HydrophobicContact CG1-CE2 4.06Å; V1052-F1154 HydrophobicContact CG1-CG 3.63Å; V1052-F1154 HydrophobicContact CG2-CD1 3.99Å; V1052-F1154 HydrophobicContact CG2-CE1 4.12Å; V1052-F1154 HydrophobicContact CG2-CG 4.28Å; I1055-F1154 HydrophobicContact CB-CE2 4.09Å; I1055-F1154 HydrophobicContact CB-CZ 3.93Å; I1055-F1154 HydrophobicContact CD1-CZ 3.99Å; I1055-F1154 HydrophobicContact CG2-CE2 3.92Å; I1055-F1154 HydrophobicContact CG2-CZ 3.69Å; F1065-F1154 HydrophobicContact CE2-CE1 4.45Å; F1065-F1154 HydrophobicContact CE2-CZ 4.27Å; F1065-F1154 AromaticContact CZ-CE1 3.85Å; F1065-F1154 HydrophobicContact CZ-CE1 3.85Å; F1065-F1154 AromaticContact CZ-CZ 3.88Å; F1065-F1154 HydrophobicContact CZ-CZ 3.88Å; L1103-F1154 HydrophobicContact CD2-CD1 4.48Å; L1103-F1154 HydrophobicContact CD2-CE1 3.7Å; L1103-F1154 HydrophobicContact CD2-CZ 4.33Å; Y1150-F1154 PolarHBondContact O-N 2.91Å; L1151-F1154 PolarHBondContact O-N 2.9Å; I1152-F1154 VanDerWaalsContact C-N 3.32Å; I1152-F1154 PolarHBondContact O-N 2.91Å; F1154-R1157 WeakPolarHBondContact O-CA 3.33Å; F1154-R1157 WeakPolarHBondContact O-CB 3.47Å; F1154-R1157 PolarHBondContact O-N 2.96Å; F1154-R1157 VanDerWaalsContact O-N 3.13Å; F1154-C1158 VanDerWaalsContact CE2-SG 3.55Å; F1154-C1158 PolarHBondContact O-N 2.96Å; F1154-C1158 PolarHBondContact O-SG 2.92Å
1155	M	94.4	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-41.6	174.7	-78.3	-176.2	-87.2	0	0	112	L1151 I1152 R1157 C1158 L1159 L1172 F1176 F1180 I1207 L1211	L1151-M1155 HydrophobicContact CB-CE 4.49Å; L1151-M1155 WeakPolarHBondContact O-CE 3.49Å; L1151-M1155 WeakPolarHBondContact O-CG 3.42Å; L1151-M1155 PolarHBondContact O-N 3.35Å; I1152-M1155 HydrophobicContact CD1-CE 3.98Å; I1152-M1155 PolarHBondContact O-N 3.06Å; M1155-R1157 VanDerWaalsContact C-N 3.25Å; M1155-R1157 PolarHBondContact O-N 2.79Å; M1155-C1158 WeakPolarHBondContact O-CB 3.32Å; M1155-C1158 PolarHBondContact O-N 2.89Å; M1155-L1159 WeakPolarHBondContact O-CG 3.32Å; M1155-L1159 PolarHBondContact O-N 3.19Å; M1155-L1172 HydrophobicContact CB-CD1 4.17Å; M1155-L1172 HydrophobicContact CG-CD1 4.28Å; M1155-L1172 HydrophobicContact SD-CB 4.25Å; M1155-F1176 HydrophobicContact CE-CB 3.9Å; M1155-F1176 HydrophobicContact CE-CD1 4Å; M1155-F1176 HydrophobicContact CE-CD2 4.41Å; M1155-F1176 HydrophobicContact CE-CG 3.85Å; M1155-F1176 HydrophobicContact CG-CD2 4.17Å; M1155-F1176 HydrophobicContact CG-CE2 4.16Å; M1155-F1176 HydrophobicContact CG-CG 4.48Å; M1155-F1176 HydrophobicContact CG-CZ 4.46Å; M1155-F1176 HydrophobicContact SD-CB 3.7Å; M1155-F1176 HydrophobicContact SD-CD1 4.07Å; M1155-F1176 HydrophobicContact SD-CD2 3.43Å; M1155-F1176 WeakPolarHBondContact SD-CD2 3.27Å; M1155-F1176 HydrophobicContact SD-CE2 4.03Å; M1155-F1176 HydrophobicContact SD-CG 3.45Å; M1155-F1176 WeakPolarHBondContact SD-CG 3.32Å; M1155-F1180 HydrophobicContact CE-CE2 4.16Å; M1155-F1180 HydrophobicContact CE-CZ 3.95Å; M1155-I1207 HydrophobicContact CE-CG2 4.35Å; M1155-I1207 HydrophobicContact SD-CG2 4.44Å; M1155-L1211 HydrophobicContact CB-CD2 3.48Å; M1155-L1211 VanDerWaalsContact CB-CD2 3.48Å; M1155-L1211 HydrophobicContact CG-CD2 4.49Å; M1155-L1211 HydrophobicContact SD-CD1 4.27Å; M1155-L1211 HydrophobicContact SD-CD2 4.25Å
1156	Q	92.6	Very high	92.6	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-39.4	171.4	-73	-178	-6.1	0	0	111.3	I1152 T1153 L1159 T1160 F1210 L1211 Q1213 I1217	I1152-Q1156 HydrophobicContact CG2-CG 4.41Å; I1152-Q1156 WeakPolarHBondContact O-CB 3.49Å; I1152-Q1156 WeakPolarHBondContact O-CG 3.5Å; I1152-Q1156 PolarHBondContact O-N 3.06Å; T1153-Q1156 PolarHBondContact O-N 3.48Å; Q1156-L1159 PolarHBondContact O-N 3.08Å; Q1156-T1160 PolarHBondContact O-N 3.46Å; Q1156-F1210 PolarHBondContact NE2-O 3.22Å; Q1156-L1211 HydrophobicContact CG-CD2 4.2Å; Q1156-Q1213 PolarHBondContact NE2-O 3.35Å; Q1156-I1217 HydrophobicContact CB-CD1 4.48Å
1157	R	92	Very high	92.8	Very high	119 Å²	119	36.5 Å²	36.5	45%	0.449	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-39.6	175.8	-172.8	54.1	175.8	148.5	-4.9	112.2	I1059 T1153 F1154 M1155 L1159 T1160 F1161	I1059-R1157 HydrophobicContact CD1-CB 4.38Å; I1059-R1157 HydrophobicContact CD1-CG 3.71Å; T1153-R1157 WeakPolarHBondContact O-CB 3.48Å; T1153-R1157 PolarHBondContact O-N 3.32Å; F1154-R1157 WeakPolarHBondContact O-CA 3.33Å; F1154-R1157 WeakPolarHBondContact O-CB 3.47Å; F1154-R1157 PolarHBondContact O-N 2.96Å; F1154-R1157 VanDerWaalsContact O-N 3.13Å; M1155-R1157 VanDerWaalsContact C-N 3.25Å; M1155-R1157 PolarHBondContact O-N 2.79Å; R1157-L1159 VanDerWaalsContact C-N 3.35Å; R1157-L1159 PolarHBondContact O-N 3.23Å; R1157-T1160 PolarHBondContact NH1-OG1 2.96Å; R1157-T1160 PolarHBondContact O-N 3.38Å; R1157-T1160 PolarHBondContact O-OG1 3.5Å; R1157-F1161 VanDerWaalsContact CZ-CE2 3.42Å
1158	C	93.2	Very high	92.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-45.4	172.1	-63.1	0	0	0	0	111.5	F1154 M1155 T1160 F1161 N1165 T1167 L1172	F1154-C1158 VanDerWaalsContact CE2-SG 3.55Å; F1154-C1158 PolarHBondContact O-N 2.96Å; F1154-C1158 PolarHBondContact O-SG 2.92Å; M1155-C1158 WeakPolarHBondContact O-CB 3.32Å; M1155-C1158 PolarHBondContact O-N 2.89Å; C1158-T1160 PolarHBondContact O-N 3.25Å; C1158-F1161 PolarHBondContact O-N 2.71Å; C1158-N1165 PolarHBondContact O-ND2 2.99Å; C1158-T1167 HydrophobicContact CB-CG2 4.47Å; C1158-T1167 PolarHBondContact O-OG1 3.02Å; C1158-L1172 HydrophobicContact CB-CD1 4.37Å
1159	L	93	Very high	92.9	Very high	28 Å²	28	40.7 Å²	40.7	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-23.3	177.8	-66.1	170	0	0	0	113.5	M1155 Q1156 R1157 F1161 K1162 D1168 I1169 L1172 L1211	M1155-L1159 WeakPolarHBondContact O-CG 3.32Å; M1155-L1159 PolarHBondContact O-N 3.19Å; Q1156-L1159 PolarHBondContact O-N 3.08Å; R1157-L1159 VanDerWaalsContact C-N 3.35Å; R1157-L1159 PolarHBondContact O-N 3.23Å; L1159-F1161 PolarHBondContact O-N 3.14Å; L1159-K1162 PolarHBondContact O-N 3.15Å; L1159-D1168 VanDerWaalsContact CD2-CA 3.5Å; L1159-I1169 HydrophobicContact CD1-CD1 4.42Å; L1159-I1169 HydrophobicContact CD1-CG1 3.77Å; L1159-I1169 HydrophobicContact CD2-CG1 4.1Å; L1159-L1172 HydrophobicContact CD2-CD1 3.98Å; L1159-L1172 HydrophobicContact CG-CD1 3.99Å; L1159-L1211 HydrophobicContact CD1-CB 4.18Å; L1159-L1211 HydrophobicContact CD1-CD1 4.45Å
1160	T	92.7	Very high	92.9	Very high	70 Å²	70	45 Å²	45	43%	0.429	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.2	172.1	65.9	0	0	0	0	113.8	Q1156 R1157 C1158 I1217	Q1156-T1160 PolarHBondContact O-N 3.46Å; R1157-T1160 PolarHBondContact NH1-OG1 2.96Å; R1157-T1160 PolarHBondContact O-N 3.38Å; R1157-T1160 PolarHBondContact O-OG1 3.5Å; C1158-T1160 PolarHBondContact O-N 3.25Å; T1160-I1217 HydrophobicContact CG2-CD1 4.44Å
1161	F	93.7	Very high	92.9	Very high	48 Å²	48	44.6 Å²	44.6	21%	0.211	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	23.6	176.7	-61.6	-77.6	0	0	0	113.1	I1059 T1060 R1157 C1158 L1159 E1163 Q1164 N1165	I1059-F1161 HydrophobicContact CB-CD2 4.35Å; I1059-F1161 HydrophobicContact CD1-CD2 3.92Å; I1059-F1161 HydrophobicContact CD1-CE2 4.15Å; I1059-F1161 HydrophobicContact CG1-CD2 3.93Å; I1059-F1161 HydrophobicContact CG1-CE2 4.43Å; I1059-F1161 HydrophobicContact CG2-CD2 3.59Å; I1059-F1161 HydrophobicContact CG2-CE2 3.46Å; I1059-F1161 VanDerWaalsContact CG2-CE2 3.46Å; I1059-F1161 HydrophobicContact CG2-CG 4.28Å; I1059-F1161 HydrophobicContact CG2-CZ 4.11Å; T1060-F1161 HydrophobicContact CG2-CB 4.34Å; T1060-F1161 HydrophobicContact CG2-CD1 3.58Å; T1060-F1161 HydrophobicContact CG2-CE1 3.96Å; T1060-F1161 HydrophobicContact CG2-CG 4.02Å; R1157-F1161 VanDerWaalsContact CZ-CE2 3.42Å; C1158-F1161 PolarHBondContact O-N 2.71Å; L1159-F1161 PolarHBondContact O-N 3.14Å; F1161-E1163 PolarHBondContact O-N 3.17Å; F1161-E1163 VanDerWaalsContact O-N 3.09Å; F1161-Q1164 VanDerWaalsContact C-OE1 3.31Å; F1161-Q1164 VanDerWaalsContact CA-OE1 3.25Å; F1161-Q1164 PolarHBondContact O-N 3.01Å; F1161-Q1164 PolarHBondContact O-OE1 3.1Å; F1161-Q1164 VanDerWaalsContact O-OE1 3.08Å; F1161-N1165 VanDerWaalsContact O-CG 3.23Å; F1161-N1165 PolarHBondContact O-N 2.85Å; F1161-N1165 PolarHBondContact O-OD1 3.04Å
1162	K	92.6	Very high	92.8	Very high	105 Å²	105	44.6 Å²	44.6	46%	0.457	22%	0.224	S	C	.	.	H	α-helix	trans	-54.1	-31.7	-175.8	66.8	-175.2	-166	70.3	0	115.2	L1159 Q1164 N1165 G1166 T1167	L1159-K1162 PolarHBondContact O-N 3.15Å; K1162-Q1164 VanDerWaalsContact C-N 3.27Å; K1162-Q1164 PolarHBondContact O-N 2.83Å; K1162-N1165 WeakPolarHBondContact CA-OD1 3.25Å; K1162-G1166 PolarHBondContact O-N 3.28Å; K1162-G1166 VanDerWaalsContact O-N 3.12Å; K1162-T1167 WeakPolarHBondContact CB-O 3.27Å
1163	E	92.9	Very high	92.9	Very high	149 Å²	149	44.6 Å²	44.6	70%	0.696	22%	0.224	S	C	*	.	H	α-helix	trans	-73.3	-18.7	178.7	-51.5	-59.4	147.5	0	0	112.9	F1161	F1161-E1163 PolarHBondContact O-N 3.17Å; F1161-E1163 VanDerWaalsContact O-N 3.09Å
1164	Q	95.2	Very high	92.8	Very high	100 Å²	100	45.6 Å²	45.6	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-98.7	-48.8	175.3	-63.6	80	19.9	0	0	111.3	T1060 F1161 K1162	T1060-Q1164 HydrophobicContact CG2-CB 4.31Å; T1060-Q1164 HydrophobicContact CG2-CG 4.37Å; F1161-Q1164 VanDerWaalsContact C-OE1 3.31Å; F1161-Q1164 VanDerWaalsContact CA-OE1 3.25Å; F1161-Q1164 PolarHBondContact O-N 3.01Å; F1161-Q1164 PolarHBondContact O-OE1 3.1Å; F1161-Q1164 VanDerWaalsContact O-OE1 3.08Å; K1162-Q1164 VanDerWaalsContact C-N 3.27Å; K1162-Q1164 PolarHBondContact O-N 2.83Å
1165	N	94.3	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-96.5	-2.8	-168.2	68.8	23.3	0	0	0	115.8	I1059 E1061 D1063 L1064 C1158 F1161 K1162 T1167	I1059-N1165 WeakPolarHBondContact O-CB 3.34Å; I1059-N1165 PolarHBondContact O-ND2 3.39Å; E1061-N1165 WeakPolarHBondContact O-CA 3.25Å; E1061-N1165 WeakPolarHBondContact O-CB 3.5Å; D1063-N1165 PolarHBondContact N-O 3.09Å; D1063-N1165 VanDerWaalsContact N-O 3.08Å; L1064-N1165 HydrophobicContact CB-CB 4.45Å; L1064-N1165 HydrophobicContact CD1-CB 3.98Å; L1064-N1165 HydrophobicContact CG-CB 4.29Å; L1064-N1165 PolarHBondContact N-O 3.04Å; C1158-N1165 PolarHBondContact O-ND2 2.99Å; F1161-N1165 VanDerWaalsContact O-CG 3.23Å; F1161-N1165 PolarHBondContact O-N 2.85Å; F1161-N1165 PolarHBondContact O-OD1 3.04Å; K1162-N1165 WeakPolarHBondContact CA-OD1 3.25Å; N1165-T1167 PolarHBondContact O-N 2.98Å; N1165-T1167 VanDerWaalsContact O-N 3.17Å; N1165-T1167 WeakPolarHBondContact OD1-CB 3.38Å; N1165-T1167 WeakPolarHBondContact OD1-CG2 3.38Å; N1165-T1167 PolarHBondContact OD1-N 3.21Å; N1165-T1167 PolarHBondContact OD1-OG1 3.1Å
1166	G	90.6	Very high	92.6	Very high	28 Å²	28	47 Å²	47	29%	0.289	24%	0.241	S	C	.	.			trans	67.8	10	178.8	0	0	0	0	0	115.2	R1066 K1162	R1066-G1166 PolarHBondContact NE-O 3.31Å; K1162-G1166 PolarHBondContact O-N 3.28Å; K1162-G1166 VanDerWaalsContact O-N 3.12Å
1167	T	92.1	Very high	92.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.239	C	C	.	.			trans	-81.4	135	176.9	66	0	0	0	0	111.7	L1064 F1065 C1158 K1162 N1165 L1171 L1172	L1064-T1167 HydrophobicContact CB-CG2 3.92Å; L1064-T1167 WeakPolarHBondContact O-CG2 3.44Å; F1065-T1167 HydrophobicContact CD2-CG2 4.14Å; C1158-T1167 HydrophobicContact CB-CG2 4.47Å; C1158-T1167 PolarHBondContact O-OG1 3.02Å; K1162-T1167 WeakPolarHBondContact CB-O 3.27Å; N1165-T1167 PolarHBondContact O-N 2.98Å; N1165-T1167 VanDerWaalsContact O-N 3.17Å; N1165-T1167 WeakPolarHBondContact OD1-CB 3.38Å; N1165-T1167 WeakPolarHBondContact OD1-CG2 3.38Å; N1165-T1167 PolarHBondContact OD1-N 3.21Å; N1165-T1167 PolarHBondContact OD1-OG1 3.1Å; T1167-L1171 HydrophobicContact CG2-CD2 4.44Å; T1167-L1172 HydrophobicContact CG2-CD2 4.43Å
1168	D	93.2	Very high	92.4	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	24%	0.239	S	C	.	.			trans	-141	172.4	176.7	63.2	68	0	0	0	110.8	R1066 L1159 D1170 L1171 L1172	R1066-D1168 IonicContact CZ-OD2 2.9Å; R1066-D1168 IonicContact NH2-OD2 3.55Å; R1066-D1168 PolarHBondContact NH2-OD2 3.27Å; L1159-D1168 VanDerWaalsContact CD2-CA 3.5Å; D1168-D1170 VanDerWaalsContact C-N 3.29Å; D1168-D1170 PolarHBondContact O-N 2.71Å; D1168-D1170 WeakPolarHBondContact OD1-CA 3.33Å; D1168-D1170 PolarHBondContact OD1-N 3.24Å; D1168-L1171 PolarHBondContact O-N 3.48Å; D1168-L1171 PolarHBondContact OD1-N 2.89Å; D1168-L1172 WeakPolarHBondContact O-CB 3.12Å; D1168-L1172 WeakPolarHBondContact O-CG 3.38Å; D1168-L1172 PolarHBondContact O-N 2.88Å
1169	I	93.6	Very high	92.3	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.205	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-32.7	-175.5	-60.8	179.5	0	0	0	111	L1159 L1171 A1173 L1211 R1212	L1159-I1169 HydrophobicContact CD1-CD1 4.42Å; L1159-I1169 HydrophobicContact CD1-CG1 3.77Å; L1159-I1169 HydrophobicContact CD2-CG1 4.1Å; I1169-L1171 VanDerWaalsContact C-N 3.33Å; I1169-A1173 HydrophobicContact CG2-CB 4.27Å; I1169-A1173 WeakPolarHBondContact O-CB 3.32Å; I1169-A1173 PolarHBondContact O-N 2.69Å; I1169-L1211 HydrophobicContact CD1-CB 4.5Å; I1169-L1211 HydrophobicContact CG1-CB 4.39Å; I1169-L1211 HydrophobicContact CG2-CB 4.4Å; I1169-L1211 HydrophobicContact CG2-CD1 4.48Å; I1169-R1212 HydrophobicContact CD1-CG 3.72Å
1170	D	90.7	Very high	92.3	Very high	123 Å²	123	44.9 Å²	44.9	66%	0.658	24%	0.235	S	C	*	.	H	α-helix	trans	-81	-16.5	-176.9	-57.1	-46.3	0	0	0	111.9	D1168 P1174	D1168-D1170 VanDerWaalsContact C-N 3.29Å; D1168-D1170 PolarHBondContact O-N 2.71Å; D1168-D1170 WeakPolarHBondContact OD1-CA 3.33Å; D1168-D1170 PolarHBondContact OD1-N 3.24Å; D1170-P1174 WeakPolarHBondContact O-CD 3.4Å; D1170-P1174 VanDerWaalsContact O-CG 3.23Å; D1170-P1174 WeakPolarHBondContact O-CG 3.33Å
1171	L	91.4	Very high	92.3	Very high	32 Å²	32	41.5 Å²	41.5	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-80.7	-57.4	162.6	177.9	74.2	0	0	0	112	F1065 R1066 T1167 D1168 I1169 C1175	F1065-L1171 HydrophobicContact CB-CD2 4.29Å; R1066-L1171 HydrophobicContact CG-CD1 3.86Å; R1066-L1171 HydrophobicContact CG-CD2 3.59Å; R1066-L1171 HydrophobicContact CG-CG 4.38Å; T1167-L1171 HydrophobicContact CG2-CD2 4.44Å; D1168-L1171 PolarHBondContact O-N 3.48Å; D1168-L1171 PolarHBondContact OD1-N 2.89Å; I1169-L1171 VanDerWaalsContact C-N 3.33Å; L1171-C1175 VanDerWaalsContact O-CB 3.26Å; L1171-C1175 WeakPolarHBondContact O-CB 3.3Å; L1171-C1175 PolarHBondContact O-N 2.81Å
1172	L	94.1	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.6	-40.9	-168.4	-67.4	179.5	0	0	0	112.4	F1065 M1155 C1158 L1159 T1167 D1168 C1175 F1176 L1211	F1065-L1172 HydrophobicContact CB-CD2 4.31Å; F1065-L1172 HydrophobicContact CD2-CD2 3.77Å; F1065-L1172 HydrophobicContact CE2-CD2 4.35Å; F1065-L1172 HydrophobicContact CG-CD2 4.1Å; M1155-L1172 HydrophobicContact CB-CD1 4.17Å; M1155-L1172 HydrophobicContact CG-CD1 4.28Å; M1155-L1172 HydrophobicContact SD-CB 4.25Å; C1158-L1172 HydrophobicContact CB-CD1 4.37Å; L1159-L1172 HydrophobicContact CD2-CD1 3.98Å; L1159-L1172 HydrophobicContact CG-CD1 3.99Å; T1167-L1172 HydrophobicContact CG2-CD2 4.43Å; D1168-L1172 WeakPolarHBondContact O-CB 3.12Å; D1168-L1172 WeakPolarHBondContact O-CG 3.38Å; D1168-L1172 PolarHBondContact O-N 2.88Å; L1172-C1175 PolarHBondContact O-N 2.73Å; L1172-F1176 HydrophobicContact CD2-CD2 4.39Å; L1172-F1176 HydrophobicContact CD2-CE2 4.1Å; L1172-F1176 PolarHBondContact O-N 2.91Å; L1172-L1211 HydrophobicContact CB-CD1 4.06Å
1173	A	93.7	Very high	91.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-39.8	-174.2	0	0	0	0	0	113.6	I1169 G1177 I1207 S1208 L1211	I1169-A1173 HydrophobicContact CG2-CB 4.27Å; I1169-A1173 WeakPolarHBondContact O-CB 3.32Å; I1169-A1173 PolarHBondContact O-N 2.69Å; A1173-G1177 VanDerWaalsContact O-CA 3.23Å; A1173-G1177 WeakPolarHBondContact O-CA 3.08Å; A1173-G1177 PolarHBondContact O-N 2.94Å; A1173-I1207 HydrophobicContact CB-CB 4.05Å; A1173-I1207 HydrophobicContact CB-CG2 4.08Å; A1173-S1208 VanDerWaalsContact CB-OG 3.28Å; A1173-S1208 WeakPolarHBondContact CB-OG 3.29Å; A1173-L1211 HydrophobicContact CB-CD1 4.2Å
1174	P	89.8	Confident	89.6	Confident	52 Å²	52	34.9 Å²	34.9	34%	0.338	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-43.6	169.8	-23	36.2	0	0	0	112.9	D1170 G1177 E1178 A1204	D1170-P1174 WeakPolarHBondContact O-CD 3.4Å; D1170-P1174 VanDerWaalsContact O-CG 3.23Å; D1170-P1174 WeakPolarHBondContact O-CG 3.33Å; P1174-G1177 PolarHBondContact O-N 3.42Å; P1174-E1178 PolarHBondContact O-N 2.77Å; P1174-A1204 HydrophobicContact CB-CB 4.24Å; P1174-A1204 HydrophobicContact CG-CB 3.94Å
1175	C	89.7	Confident	87.6	Confident	36 Å²	36	35.6 Å²	35.6	24%	0.243	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-56.5	-177.1	-178.2	0	0	0	0	112	L1171 L1172 G1177	L1171-C1175 VanDerWaalsContact O-CB 3.26Å; L1171-C1175 WeakPolarHBondContact O-CB 3.3Å; L1171-C1175 PolarHBondContact O-N 2.81Å; L1172-C1175 PolarHBondContact O-N 2.73Å; C1175-G1177 VanDerWaalsContact C-N 3.34Å
1176	F	94.1	Very high	84.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.1	-26.5	176.3	-75.8	-95.2	0	0	0	112.2	F1065 L1104 L1107 M1155 L1172 E1178 I1179 F1180	F1065-F1176 HydrophobicContact CD1-CE2 4.04Å; F1065-F1176 HydrophobicContact CD1-CZ 4.27Å; F1065-F1176 AromaticContact CE1-CE2 3.86Å; F1065-F1176 HydrophobicContact CE1-CE2 3.86Å; F1065-F1176 AromaticContact CE1-CZ 3.66Å; F1065-F1176 HydrophobicContact CE1-CZ 3.66Å; F1065-F1176 HydrophobicContact CZ-CE2 4.21Å; F1065-F1176 AromaticContact CZ-CZ 3.98Å; F1065-F1176 HydrophobicContact CZ-CZ 3.98Å; L1104-F1176 HydrophobicContact CD2-CD1 4.48Å; L1104-F1176 HydrophobicContact CD2-CD2 4.4Å; L1104-F1176 HydrophobicContact CD2-CE1 4.04Å; L1104-F1176 HydrophobicContact CD2-CE2 3.94Å; L1104-F1176 HydrophobicContact CD2-CZ 3.75Å; L1107-F1176 HydrophobicContact CD1-CD1 4.45Å; L1107-F1176 HydrophobicContact CD1-CE1 4.08Å; M1155-F1176 HydrophobicContact CE-CB 3.9Å; M1155-F1176 HydrophobicContact CE-CD1 4Å; M1155-F1176 HydrophobicContact CE-CD2 4.41Å; M1155-F1176 HydrophobicContact CE-CG 3.85Å; M1155-F1176 HydrophobicContact CG-CD2 4.17Å; M1155-F1176 HydrophobicContact CG-CE2 4.16Å; M1155-F1176 HydrophobicContact CG-CG 4.48Å; M1155-F1176 HydrophobicContact CG-CZ 4.46Å; M1155-F1176 HydrophobicContact SD-CB 3.7Å; M1155-F1176 HydrophobicContact SD-CD1 4.07Å; M1155-F1176 HydrophobicContact SD-CD2 3.43Å; M1155-F1176 WeakPolarHBondContact SD-CD2 3.27Å; M1155-F1176 HydrophobicContact SD-CE2 4.03Å; M1155-F1176 HydrophobicContact SD-CG 3.45Å; M1155-F1176 WeakPolarHBondContact SD-CG 3.32Å; L1172-F1176 HydrophobicContact CD2-CD2 4.39Å; L1172-F1176 HydrophobicContact CD2-CE2 4.1Å; L1172-F1176 PolarHBondContact O-N 2.91Å; F1176-E1178 PolarHBondContact O-N 3.2Å; F1176-I1179 PolarHBondContact O-N 2.75Å; F1176-F1180 HydrophobicContact CB-CE1 4.3Å; F1176-F1180 HydrophobicContact CB-CZ 4.47Å; F1176-F1180 AromaticContact CD1-CE1 3.73Å; F1176-F1180 HydrophobicContact CD1-CE1 3.73Å; F1176-F1180 HydrophobicContact CD1-CZ 4.07Å; F1176-F1180 VanDerWaalsContact O-CB 3.32Å; F1176-F1180 WeakPolarHBondContact O-CB 3.44Å; F1176-F1180 WeakPolarHBondContact O-CD1 3.23Å; F1176-F1180 WeakPolarHBondContact O-CG 3.28Å; F1176-F1180 PolarHBondContact O-N 2.91Å
1177	G	92.1	Very high	82.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-35.7	175.1	0	0	0	0	0	113.5	A1173 P1174 C1175 F1181 R1203	A1173-G1177 VanDerWaalsContact O-CA 3.23Å; A1173-G1177 WeakPolarHBondContact O-CA 3.08Å; A1173-G1177 PolarHBondContact O-N 2.94Å; P1174-G1177 PolarHBondContact O-N 3.42Å; C1175-G1177 VanDerWaalsContact C-N 3.34Å; G1177-F1181 WeakPolarHBondContact O-CD2 3.14Å; G1177-R1203 WeakPolarHBondContact O-CB 3.35Å
1178	E	88.4	Confident	79.9	Confident	94 Å²	94	51.8 Å²	51.8	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-67.4	-40.7	174.5	-169.4	157.2	162.2	0	0	111.8	P1174 F1176 F1181 F1182 Q1200	P1174-E1178 PolarHBondContact O-N 2.77Å; F1176-E1178 PolarHBondContact O-N 3.2Å; E1178-F1181 CarbonylContact O-C 3.59Å; E1178-F1182 PolarHBondContact O-N 2.82Å; E1178-F1182 VanDerWaalsContact O-N 3.09Å; E1178-Q1200 PolarHBondContact OE2-NE2 3.17Å
1179	I	90.5	Very high	77.6	Confident	16 Å²	16	54 Å²	54	8%	0.082	32%	0.317	C	S	.	.	H	α-helix	trans	-76.5	-37.6	-177.3	-61	170.9	0	0	0	112.3	L1104 L1107 N1108 F1176 F1181 F1182	L1104-I1179 HydrophobicContact CB-CD1 3.81Å; L1104-I1179 HydrophobicContact CD2-CD1 3.56Å; L1104-I1179 HydrophobicContact CG-CD1 4.22Å; L1107-I1179 HydrophobicContact CB-CG2 3.5Å; L1107-I1179 VanDerWaalsContact CB-CG2 3.5Å; N1108-I1179 HydrophobicContact CB-CG1 4.32Å; N1108-I1179 HydrophobicContact CB-CG2 4.16Å; F1176-I1179 PolarHBondContact O-N 2.75Å; I1179-F1181 PolarHBondContact O-N 3.24Å; I1179-F1182 WeakPolarHBondContact O-CD1 3.41Å; I1179-F1182 WeakPolarHBondContact O-CE1 3.47Å
1180	F	94	Very high	75.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-70.7	-17	179.9	-77.2	18.7	0	0	0	112.7	L1107 S1113 V1114 I1115 F1148 L1151 M1155 F1176 I1207	L1107-F1180 HydrophobicContact CD1-CE1 4.45Å; S1113-F1180 WeakPolarHBondContact CB-O 3.27Å; V1114-F1180 HydrophobicContact CB-CB 4.26Å; V1114-F1180 HydrophobicContact CB-CD1 3.86Å; V1114-F1180 HydrophobicContact CB-CD2 4.45Å; V1114-F1180 HydrophobicContact CB-CE1 4.32Å; V1114-F1180 HydrophobicContact CB-CG 3.94Å; V1114-F1180 HydrophobicContact CG1-CD1 4.35Å; V1114-F1180 HydrophobicContact CG1-CD2 4.36Å; V1114-F1180 HydrophobicContact CG1-CE1 4.43Å; V1114-F1180 HydrophobicContact CG1-CE2 4.47Å; V1114-F1180 HydrophobicContact CG1-CG 4.33Å; V1114-F1180 HydrophobicContact CG2-CD1 3.66Å; V1114-F1180 HydrophobicContact CG2-CE1 3.92Å; V1114-F1180 HydrophobicContact CG2-CG 4.27Å; I1115-F1180 WeakPolarHBondContact CB-O 3.44Å; I1115-F1180 PolarHBondContact N-O 3.41Å; F1148-F1180 AromaticContact CD2-CD2 3.59Å; F1148-F1180 HydrophobicContact CD2-CD2 3.59Å; F1148-F1180 AromaticContact CD2-CE2 3.63Å; F1148-F1180 HydrophobicContact CD2-CE2 3.63Å; F1148-F1180 AromaticContact CE2-CD2 3.66Å; F1148-F1180 HydrophobicContact CE2-CD2 3.66Å; F1148-F1180 AromaticContact CE2-CE2 3.84Å; F1148-F1180 HydrophobicContact CE2-CE2 3.84Å; F1148-F1180 HydrophobicContact CG-CE2 4.49Å; L1151-F1180 HydrophobicContact CB-CZ 3.68Å; L1151-F1180 HydrophobicContact CD1-CE1 3.71Å; L1151-F1180 HydrophobicContact CD1-CZ 3.62Å; L1151-F1180 HydrophobicContact CG-CZ 4.32Å; M1155-F1180 HydrophobicContact CE-CE2 4.16Å; M1155-F1180 HydrophobicContact CE-CZ 3.95Å; F1176-F1180 HydrophobicContact CB-CE1 4.3Å; F1176-F1180 HydrophobicContact CB-CZ 4.47Å; F1176-F1180 AromaticContact CD1-CE1 3.73Å; F1176-F1180 HydrophobicContact CD1-CE1 3.73Å; F1176-F1180 HydrophobicContact CD1-CZ 4.07Å; F1176-F1180 VanDerWaalsContact O-CB 3.32Å; F1176-F1180 WeakPolarHBondContact O-CB 3.44Å; F1176-F1180 WeakPolarHBondContact O-CD1 3.23Å; F1176-F1180 WeakPolarHBondContact O-CG 3.28Å; F1176-F1180 PolarHBondContact O-N 2.91Å; F1180-I1207 HydrophobicContact CB-CD1 4.37Å; F1180-I1207 HydrophobicContact CD2-CD1 3.49Å; F1180-I1207 VanDerWaalsContact CD2-CD1 3.49Å; F1180-I1207 HydrophobicContact CE2-CD1 4.09Å; F1180-I1207 HydrophobicContact CG-CD1 4.26Å
1181	F	92	Very high	73.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	26.6	-174.6	-67.4	-88.9	0	0	0	113.1	I1115 H1120 C1123 F1124 G1177 E1178 I1179 R1203 F1206 I1207	I1115-F1181 HydrophobicContact CB-CD1 4.34Å; I1115-F1181 HydrophobicContact CB-CE1 4.23Å; I1115-F1181 HydrophobicContact CD1-CD1 4.41Å; I1115-F1181 HydrophobicContact CD1-CD2 4.36Å; I1115-F1181 HydrophobicContact CD1-CE1 3.72Å; I1115-F1181 HydrophobicContact CD1-CE2 3.68Å; I1115-F1181 HydrophobicContact CD1-CZ 3.32Å; I1115-F1181 HydrophobicContact CG2-CD1 4.31Å; I1115-F1181 HydrophobicContact CG2-CE1 3.95Å; H1120-F1181 HydrophobicContact CB-CD1 4.38Å; H1120-F1181 AromaticContact CD2-CD1 3.57Å; H1120-F1181 VanDerWaalsContact CE1-C 3.5Å; H1120-F1181 PolarHBondContact CE1-O 2.82Å; H1120-F1181 VanDerWaalsContact CE1-O 3.22Å; H1120-F1181 AromaticContact CG-CD1 3.81Å; H1120-F1181 AromaticContact NE2-CD1 3.83Å; C1123-F1181 HydrophobicContact CB-CE1 3.8Å; C1123-F1181 HydrophobicContact CB-CZ 3.98Å; F1124-F1181 HydrophobicContact CD1-CE1 4.15Å; F1124-F1181 HydrophobicContact CD1-CZ 4.45Å; F1124-F1181 AromaticContact CE1-CD1 3.6Å; F1124-F1181 HydrophobicContact CE1-CD1 3.6Å; F1124-F1181 HydrophobicContact CE1-CD2 4.5Å; F1124-F1181 AromaticContact CE1-CE1 3.47Å; F1124-F1181 HydrophobicContact CE1-CE1 3.47Å; F1124-F1181 VanDerWaalsContact CE1-CE1 3.47Å; F1124-F1181 HydrophobicContact CE1-CE2 4.37Å; F1124-F1181 HydrophobicContact CE1-CG 4.13Å; F1124-F1181 AromaticContact CE1-CZ 3.86Å; F1124-F1181 HydrophobicContact CE1-CZ 3.86Å; F1124-F1181 HydrophobicContact CZ-CB 4.45Å; F1124-F1181 AromaticContact CZ-CD1 3.63Å; F1124-F1181 HydrophobicContact CZ-CD1 3.63Å; F1124-F1181 AromaticContact CZ-CE1 3.94Å; F1124-F1181 HydrophobicContact CZ-CE1 3.94Å; F1124-F1181 HydrophobicContact CZ-CG 4.16Å; G1177-F1181 WeakPolarHBondContact O-CD2 3.14Å; E1178-F1181 CarbonylContact O-C 3.59Å; I1179-F1181 PolarHBondContact O-N 3.24Å; F1181-R1203 HydrophobicContact CB-CB 4.47Å; F1181-R1203 HydrophobicContact CB-CG 3.56Å; F1181-R1203 HydrophobicContact CD2-CB 4Å; F1181-R1203 HydrophobicContact CD2-CG 3.87Å; F1181-R1203 HydrophobicContact CG-CB 4.44Å; F1181-R1203 HydrophobicContact CG-CG 3.8Å; F1181-R1203 PolarHBondContact O-NE 3.13Å; F1181-R1203 PolarHBondContact O-NH2 2.85Å; F1181-F1206 HydrophobicContact CE2-CB 4.07Å; F1181-F1206 AromaticContact CE2-CD1 3.85Å; F1181-F1206 HydrophobicContact CE2-CD1 3.85Å; F1181-F1206 HydrophobicContact CE2-CG 4.22Å; F1181-F1206 HydrophobicContact CZ-CB 3.95Å; F1181-F1206 AromaticContact CZ-CD1 3.52Å; F1181-F1206 HydrophobicContact CZ-CD1 3.52Å; F1181-F1206 HydrophobicContact CZ-CE1 4.14Å; F1181-F1206 AromaticContact CZ-CG 3.77Å; F1181-F1206 HydrophobicContact CZ-CG 3.77Å; F1181-I1207 HydrophobicContact CE2-CD1 4.23Å
1182	F	84.8	Confident	71.7	Confident	32 Å²	32	59.5 Å²	59.5	14%	0.14	36%	0.362	C	S	.	.			trans	-63.4	153.1	172.7	66.1	-107.4	0	0	0	110.8	L1107 L1110 S1113 E1178 I1179	L1107-F1182 WeakPolarHBondContact O-CE1 3.4Å; L1110-F1182 HydrophobicContact CB-CZ 4.36Å; L1110-F1182 WeakPolarHBondContact O-CZ 3.36Å; S1113-F1182 VanDerWaalsContact CA-CZ 3.45Å; S1113-F1182 PolarHBondContact OG-O 2.92Å; E1178-F1182 PolarHBondContact O-N 2.82Å; E1178-F1182 VanDerWaalsContact O-N 3.09Å; I1179-F1182 WeakPolarHBondContact O-CD1 3.41Å; I1179-F1182 WeakPolarHBondContact O-CE1 3.47Å
1183	E	77.3	Confident	69.7	Low	60 Å²	60	67.4 Å²	67.4	28%	0.28	40%	0.396	S	S	.	.			trans	-116.8	131.4	-177.9	-70	167.7	-131.4	0	0	108.2	Q1117 S1185 K1199 R1203	Q1117-E1183 HydrophobicContact CG-CG 4.33Å; E1183-S1185 PolarHBondContact O-N 2.86Å; E1183-K1199 WeakPolarHBondContact OE1-CD 3.44Å; E1183-K1199 IonicContact OE1-NZ 3.2Å; E1183-K1199 PolarHBondContact OE1-NZ 3.31Å; E1183-K1199 IonicContact OE2-NZ 2.78Å; E1183-K1199 PolarHBondContact OE2-NZ 2.97Å; E1183-R1203 IonicContact OE1-NH2 2.83Å; E1183-R1203 PolarHBondContact OE1-NH2 2.77Å
1184	S	60.3	Low	67.8	Low	71 Å²	71	75.4 Å²	75.4	50%	0.497	43%	0.433	S	S	.	.			trans	-75.2	67.2	-170.3	-52.3	0	0	0	0	112.8
1185	S	52.4	Low	66.7	Low	115 Å²	115	75.6 Å²	75.6	80%	0.804	44%	0.439	S	S	*	.			trans	43	95	169.1	60.5	0	0	0	0	116.9	E1183	E1183-S1185 PolarHBondContact O-N 2.86Å
1186	S	38.3	Very low	65.7	Low	99 Å²	99	77.6 Å²	77.6	69%	0.692	45%	0.45	S	S	*	.			trans	-120.3	151.2	157.2	62.8	0	0	0	0	111.2	T1188	S1186-T1188 PolarHBondContact O-N 2.84Å; S1186-T1188 PolarHBondContact O-OG1 2.87Å
1187	N	35.9	Very low	64.6	Low	167 Å²	167	79.9 Å²	79.9	89%	0.893	47%	0.469	S	S	*	.			trans	-63.8	99.3	-165.9	-71.3	-34.2	0	0	0	112.9	T1189	N1187-T1189 PolarHBondContact O-N 2.62Å
1188	T	42.3	Very low	63.8	Low	102 Å²	102	85.8 Å²	85.8	63%	0.626	50%	0.498	S	S	*	.			trans	-78.7	110	-179	-9.3	0	0	0	0	109.6	S1186 Q1192	S1186-T1188 PolarHBondContact O-N 2.84Å; S1186-T1188 PolarHBondContact O-OG1 2.87Å; T1188-Q1192 HydrophobicContact CG2-CB 4.15Å
1189	T	45.3	Very low	63.5	Low	95 Å²	95	84.4 Å²	84.4	58%	0.583	49%	0.49	S	S	*	.			trans	-80.5	159	179.5	56.9	0	0	0	0	111.3	N1187 A1191 Q1192	N1187-T1189 PolarHBondContact O-N 2.62Å; T1189-A1191 PolarHBondContact O-N 3.1Å; T1189-Q1192 PolarHBondContact O-N 3.14Å; T1189-Q1192 VanDerWaalsContact O-N 3.08Å
1190	T	48.3	Very low	63.1	Low	130 Å²	130	87.7 Å²	87.7	80%	0.798	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-55.3	-19.3	-170.8	-34.1	0	0	0	0	114.7	Q1192	T1190-Q1192 VanDerWaalsContact C-N 3.32Å; T1190-Q1192 PolarHBondContact O-N 2.91Å
1191	A	47.6	Very low	62.7	Low	94 Å²	94	93.2 Å²	93.2	78%	0.777	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-69.9	-18.2	178.3	0	0	0	0	0	114.9	T1189 K1193	T1189-A1191 PolarHBondContact O-N 3.1Å; A1191-K1193 PolarHBondContact O-N 3.25Å
1192	Q	54.2	Low	62.7	Low	86 Å²	86	96.6 Å²	96.6	40%	0.402	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-91	4.5	-164.8	-69.9	175.7	-70.5	0	0	116.2	T1188 T1189 T1190 H1194 A1195 V1196	T1188-Q1192 HydrophobicContact CG2-CB 4.15Å; T1189-Q1192 PolarHBondContact O-N 3.14Å; T1189-Q1192 VanDerWaalsContact O-N 3.08Å; T1190-Q1192 VanDerWaalsContact C-N 3.32Å; T1190-Q1192 PolarHBondContact O-N 2.91Å; Q1192-H1194 VanDerWaalsContact C-N 3.32Å; Q1192-H1194 PolarHBondContact O-N 3.34Å; Q1192-H1194 VanDerWaalsContact O-N 3.16Å; Q1192-A1195 WeakPolarHBondContact O-CB 3.15Å; Q1192-A1195 PolarHBondContact O-N 2.69Å; Q1192-V1196 PolarHBondContact O-N 3.15Å
1193	K	52.7	Low	63.1	Low	167 Å²	167	96.5 Å²	96.5	73%	0.726	55%	0.548	S	S	*	.	H	α-helix	trans	-53.6	-39.8	-174.2	-71.3	-170.1	175	-173.7	0	114.8	A1191	A1191-K1193 PolarHBondContact O-N 3.25Å
1194	H	54	Low	63.7	Low	168 Å²	168	94.4 Å²	94.4	78%	0.778	54%	0.54	S	S	*	.	H	α-helix	trans	-69.6	-32	176.9	-97.1	-76.8	0	0	0	113.7	Q1192 M1198	Q1192-H1194 VanDerWaalsContact C-N 3.32Å; Q1192-H1194 PolarHBondContact O-N 3.34Å; Q1192-H1194 VanDerWaalsContact O-N 3.16Å; H1194-M1198 PolarHBondContact O-N 3.5Å
1195	A	65.6	Low	65.2	Low	56 Å²	56	92.9 Å²	92.9	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-72.6	-36.2	179.7	0	0	0	0	0	111.8	Q1192 M1198 K1199	Q1192-A1195 WeakPolarHBondContact O-CB 3.15Å; Q1192-A1195 PolarHBondContact O-N 2.69Å; A1195-M1198 PolarHBondContact O-N 2.73Å; A1195-K1199 PolarHBondContact O-N 3.19Å
1196	V	69	Low	67.2	Low	77 Å²	77	87.4 Å²	87.4	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-48.4	177	176.4	0	0	0	0	111.2	Q1192 M1198 K1199 Q1200	Q1192-V1196 PolarHBondContact O-N 3.15Å; V1196-M1198 VanDerWaalsContact C-N 3.34Å; V1196-M1198 PolarHBondContact O-N 3.39Å; V1196-K1199 WeakPolarHBondContact O-CB 3.45Å; V1196-K1199 PolarHBondContact O-N 3.49Å; V1196-K1199 VanDerWaalsContact O-N 3.17Å; V1196-Q1200 PolarHBondContact O-N 3.08Å
1197	A	70.9	Confident	69.8	Low	48 Å²	48	82.7 Å²	82.7	40%	0.397	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-41.5	178.4	0	0	0	0	0	112.6	Q1200 L1201	A1197-Q1200 PolarHBondContact O-N 3.03Å; A1197-L1201 PolarHBondContact O-N 2.76Å; A1197-L1201 VanDerWaalsContact O-N 3.08Å
1198	M	76.7	Confident	72.5	Confident	124 Å²	124	75.5 Å²	75.5	61%	0.611	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-34.6	176.2	-76.3	-68.5	174.3	0	0	113	H1194 A1195 V1196 L1201 K1202	H1194-M1198 PolarHBondContact O-N 3.5Å; A1195-M1198 PolarHBondContact O-N 2.73Å; V1196-M1198 VanDerWaalsContact C-N 3.34Å; V1196-M1198 PolarHBondContact O-N 3.39Å; M1198-L1201 HydrophobicContact SD-CD1 4.36Å; M1198-K1202 WeakPolarHBondContact O-CG 3.37Å; M1198-K1202 PolarHBondContact O-N 3.2Å; M1198-K1202 VanDerWaalsContact O-N 3.15Å
1199	K	81.4	Confident	74.9	Confident	65 Å²	65	72.1 Å²	72.1	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-46.2	170	-80.6	-169.5	168.3	-164.5	0	111.6	E1183 A1195 V1196 L1201 K1202 R1203	E1183-K1199 WeakPolarHBondContact OE1-CD 3.44Å; E1183-K1199 IonicContact OE1-NZ 3.2Å; E1183-K1199 PolarHBondContact OE1-NZ 3.31Å; E1183-K1199 IonicContact OE2-NZ 2.78Å; E1183-K1199 PolarHBondContact OE2-NZ 2.97Å; A1195-K1199 PolarHBondContact O-N 3.19Å; V1196-K1199 WeakPolarHBondContact O-CB 3.45Å; V1196-K1199 PolarHBondContact O-N 3.49Å; V1196-K1199 VanDerWaalsContact O-N 3.17Å; K1199-L1201 VanDerWaalsContact C-N 3.33Å; K1199-L1201 PolarHBondContact O-N 2.89Å; K1199-K1202 WeakPolarHBondContact O-CB 3.28Å; K1199-K1202 PolarHBondContact O-N 3.24Å; K1199-K1202 VanDerWaalsContact O-N 3.13Å; K1199-R1203 VanDerWaalsContact O-CG 3.29Å; K1199-R1203 WeakPolarHBondContact O-CG 3.21Å; K1199-R1203 PolarHBondContact O-N 2.97Å
1200	Q	81.8	Confident	77.1	Confident	86 Å²	86	67.7 Å²	67.7	40%	0.402	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-178.4	-153.4	174.8	17.7	0	0	112	E1178 V1196 A1197 R1203 A1204	E1178-Q1200 PolarHBondContact OE2-NE2 3.17Å; V1196-Q1200 PolarHBondContact O-N 3.08Å; A1197-Q1200 PolarHBondContact O-N 3.03Å; Q1200-R1203 PolarHBondContact O-N 2.84Å; Q1200-A1204 PolarHBondContact O-N 3.17Å; Q1200-A1204 VanDerWaalsContact O-N 3.09Å
1201	L	86.3	Confident	79.1	Confident	116 Å²	116	61.8 Å²	61.8	61%	0.607	34%	0.338	S	S	*	.	H	α-helix	trans	-61.7	-45.7	171.4	-72.5	170	0	0	0	112.7	A1197 M1198 K1199 R1203 A1204 A1205	A1197-L1201 PolarHBondContact O-N 2.76Å; A1197-L1201 VanDerWaalsContact O-N 3.08Å; M1198-L1201 HydrophobicContact SD-CD1 4.36Å; K1199-L1201 VanDerWaalsContact C-N 3.33Å; K1199-L1201 PolarHBondContact O-N 2.89Å; L1201-R1203 VanDerWaalsContact C-N 3.33Å; L1201-R1203 PolarHBondContact O-N 2.97Å; L1201-A1204 PolarHBondContact O-N 3.47Å; L1201-A1205 VanDerWaalsContact O-CB 3.31Å; L1201-A1205 WeakPolarHBondContact O-CB 3.49Å; L1201-A1205 PolarHBondContact O-N 2.86Å
1202	K	91.3	Very high	81	Confident	71 Å²	71	65.2 Å²	65.2	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176.2	-80.1	178.2	152.5	-158.9	0	112.5	F1124 L1127 M1198 K1199 A1205 F1206	F1124-K1202 HydrophobicContact CB-CD 3.97Å; F1124-K1202 HydrophobicContact CD1-CB 3.8Å; F1124-K1202 HydrophobicContact CD2-CD 4.32Å; F1124-K1202 HydrophobicContact CE1-CB 4.16Å; F1124-K1202 HydrophobicContact CG-CB 4.1Å; F1124-K1202 HydrophobicContact CG-CD 4.07Å; L1127-K1202 HydrophobicContact CD1-CB 4.19Å; L1127-K1202 HydrophobicContact CD1-CG 3.97Å; M1198-K1202 WeakPolarHBondContact O-CG 3.37Å; M1198-K1202 PolarHBondContact O-N 3.2Å; M1198-K1202 VanDerWaalsContact O-N 3.15Å; K1199-K1202 WeakPolarHBondContact O-CB 3.28Å; K1199-K1202 PolarHBondContact O-N 3.24Å; K1199-K1202 VanDerWaalsContact O-N 3.13Å; K1202-A1205 PolarHBondContact O-N 3.45Å; K1202-F1206 PolarHBondContact O-N 3.22Å
1203	R	92.8	Very high	82.1	Confident	30 Å²	30	65.4 Å²	65.4	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-52.7	176.5	-68.7	173.4	-177.5	176.5	3.6	111.4	F1124 G1177 F1181 E1183 K1199 Q1200 L1201 A1205 F1206 I1207	F1124-R1203 HydrophobicContact CE1-CB 4.5Å; F1124-R1203 HydrophobicContact CE1-CG 3.76Å; F1124-R1203 HydrophobicContact CZ-CG 3.68Å; G1177-R1203 WeakPolarHBondContact O-CB 3.35Å; F1181-R1203 HydrophobicContact CB-CB 4.47Å; F1181-R1203 HydrophobicContact CB-CG 3.56Å; F1181-R1203 HydrophobicContact CD2-CB 4Å; F1181-R1203 HydrophobicContact CD2-CG 3.87Å; F1181-R1203 HydrophobicContact CG-CB 4.44Å; F1181-R1203 HydrophobicContact CG-CG 3.8Å; F1181-R1203 PolarHBondContact O-NE 3.13Å; F1181-R1203 PolarHBondContact O-NH2 2.85Å; E1183-R1203 IonicContact OE1-NH2 2.83Å; E1183-R1203 PolarHBondContact OE1-NH2 2.77Å; K1199-R1203 VanDerWaalsContact O-CG 3.29Å; K1199-R1203 WeakPolarHBondContact O-CG 3.21Å; K1199-R1203 PolarHBondContact O-N 2.97Å; Q1200-R1203 PolarHBondContact O-N 2.84Å; L1201-R1203 VanDerWaalsContact C-N 3.33Å; L1201-R1203 PolarHBondContact O-N 2.97Å; R1203-A1205 VanDerWaalsContact C-N 3.33Å; R1203-A1205 PolarHBondContact O-N 2.78Å; R1203-F1206 PolarHBondContact O-N 3.44Å; R1203-I1207 PolarHBondContact O-N 3.48Å
1204	A	90.9	Very high	82.6	Confident	15 Å²	15	62 Å²	62	12%	0.124	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-39.4	177.6	0	0	0	0	0	112.6	P1174 Q1200 L1201 F1206 I1207 S1208	P1174-A1204 HydrophobicContact CB-CB 4.24Å; P1174-A1204 HydrophobicContact CG-CB 3.94Å; Q1200-A1204 PolarHBondContact O-N 3.17Å; Q1200-A1204 VanDerWaalsContact O-N 3.09Å; L1201-A1204 PolarHBondContact O-N 3.47Å; A1204-F1206 PolarHBondContact O-N 3.1Å; A1204-I1207 PolarHBondContact O-N 3.18Å; A1204-S1208 WeakPolarHBondContact O-CB 3.48Å; A1204-S1208 PolarHBondContact O-N 3.35Å; A1204-S1208 PolarHBondContact O-OG 3.01Å
1205	A	91.6	Very high	82.7	Confident	40 Å²	40	58.5 Å²	58.5	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-40.6	175.9	0	0	0	0	0	112.4	L1127 L1201 K1202 R1203 S1208 I1209	L1127-A1205 HydrophobicContact CD1-CB 4.4Å; L1127-A1205 HydrophobicContact CD2-CB 4.03Å; L1201-A1205 VanDerWaalsContact O-CB 3.31Å; L1201-A1205 WeakPolarHBondContact O-CB 3.49Å; L1201-A1205 PolarHBondContact O-N 2.86Å; K1202-A1205 PolarHBondContact O-N 3.45Å; R1203-A1205 VanDerWaalsContact C-N 3.33Å; R1203-A1205 PolarHBondContact O-N 2.78Å; A1205-S1208 WeakPolarHBondContact O-CB 3.2Å; A1205-S1208 PolarHBondContact O-N 2.97Å; A1205-I1209 WeakPolarHBondContact O-CG1 3.44Å; A1205-I1209 PolarHBondContact O-N 3.21Å; A1205-I1209 VanDerWaalsContact O-N 3.16Å
1206	F	94.2	Very high	82.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-48.8	178.1	-169.1	-96.6	0	0	0	111.7	I1115 C1123 S1126 L1127 A1133 L1137 F1148 F1181 K1202 R1203 A1204 S1208 I1209 F1210	I1115-F1206 HydrophobicContact CD1-CD1 4.07Å; I1115-F1206 HydrophobicContact CD1-CE1 3.72Å; C1123-F1206 HydrophobicContact CB-CD2 3.84Å; C1123-F1206 HydrophobicContact CB-CE1 4.32Å; C1123-F1206 HydrophobicContact CB-CE2 3.54Å; C1123-F1206 HydrophobicContact CB-CG 4.36Å; C1123-F1206 HydrophobicContact CB-CZ 3.79Å; C1123-F1206 WeakPolarHBondContact O-CD2 3.37Å; S1126-F1206 WeakPolarHBondContact OG-CE2 3.39Å; L1127-F1206 HydrophobicContact CD2-CB 3.77Å; L1127-F1206 HydrophobicContact CD2-CD2 4Å; L1127-F1206 HydrophobicContact CD2-CG 4.4Å; A1133-F1206 HydrophobicContact CB-CE2 3.87Å; A1133-F1206 HydrophobicContact CB-CZ 4.35Å; L1137-F1206 HydrophobicContact CD2-CE1 4.09Å; L1137-F1206 HydrophobicContact CD2-CZ 4.07Å; L1137-F1206 HydrophobicContact CG-CE1 4.45Å; L1137-F1206 HydrophobicContact CG-CZ 4.1Å; F1148-F1206 HydrophobicContact CE2-CD1 4.46Å; F1148-F1206 HydrophobicContact CE2-CE1 4.05Å; F1148-F1206 HydrophobicContact CZ-CD1 4.41Å; F1148-F1206 AromaticContact CZ-CE1 3.91Å; F1148-F1206 HydrophobicContact CZ-CE1 3.91Å; F1181-F1206 HydrophobicContact CE2-CB 4.07Å; F1181-F1206 AromaticContact CE2-CD1 3.85Å; F1181-F1206 HydrophobicContact CE2-CD1 3.85Å; F1181-F1206 HydrophobicContact CE2-CG 4.22Å; F1181-F1206 HydrophobicContact CZ-CB 3.95Å; F1181-F1206 AromaticContact CZ-CD1 3.52Å; F1181-F1206 HydrophobicContact CZ-CD1 3.52Å; F1181-F1206 HydrophobicContact CZ-CE1 4.14Å; F1181-F1206 AromaticContact CZ-CG 3.77Å; F1181-F1206 HydrophobicContact CZ-CG 3.77Å; K1202-F1206 PolarHBondContact O-N 3.22Å; R1203-F1206 PolarHBondContact O-N 3.44Å; A1204-F1206 PolarHBondContact O-N 3.1Å; F1206-S1208 VanDerWaalsContact C-N 3.31Å; F1206-S1208 PolarHBondContact O-N 2.79Å; F1206-I1209 PolarHBondContact O-N 3.09Å; F1206-F1210 HydrophobicContact CD1-CE2 4.18Å; F1206-F1210 HydrophobicContact CE1-CD2 4.3Å; F1206-F1210 AromaticContact CE1-CE2 3.65Å; F1206-F1210 HydrophobicContact CE1-CE2 3.65Å; F1206-F1210 HydrophobicContact CE2-CE2 4.22Å; F1206-F1210 AromaticContact CZ-CE2 3.68Å; F1206-F1210 HydrophobicContact CZ-CE2 3.68Å; F1206-F1210 HydrophobicContact CZ-CZ 4.3Å; F1206-F1210 WeakPolarHBondContact O-CD2 3.41Å
1207	I	93.9	Very high	81.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-39.7	176.9	-54.3	-55.1	0	0	0	111	F1148 I1152 M1155 A1173 F1180 F1181 R1203 A1204 I1209 F1210 L1211	F1148-I1207 HydrophobicContact CE2-CD1 3.85Å; F1148-I1207 HydrophobicContact CZ-CD1 4.36Å; I1152-I1207 HydrophobicContact CD1-CG2 4.18Å; M1155-I1207 HydrophobicContact CE-CG2 4.35Å; M1155-I1207 HydrophobicContact SD-CG2 4.44Å; A1173-I1207 HydrophobicContact CB-CB 4.05Å; A1173-I1207 HydrophobicContact CB-CG2 4.08Å; F1180-I1207 HydrophobicContact CB-CD1 4.37Å; F1180-I1207 HydrophobicContact CD2-CD1 3.49Å; F1180-I1207 VanDerWaalsContact CD2-CD1 3.49Å; F1180-I1207 HydrophobicContact CE2-CD1 4.09Å; F1180-I1207 HydrophobicContact CG-CD1 4.26Å; F1181-I1207 HydrophobicContact CE2-CD1 4.23Å; R1203-I1207 PolarHBondContact O-N 3.48Å; A1204-I1207 PolarHBondContact O-N 3.18Å; I1207-I1209 VanDerWaalsContact C-N 3.27Å; I1207-I1209 PolarHBondContact O-N 3.4Å; I1207-F1210 PolarHBondContact O-N 2.96Å; I1207-F1210 VanDerWaalsContact O-N 3.11Å; I1207-L1211 HydrophobicContact CG2-CD1 3.9Å; I1207-L1211 HydrophobicContact CG2-CG 3.99Å; I1207-L1211 PolarHBondContact O-N 2.85Å
1208	S	92.5	Very high	80.1	Confident	16 Å²	16	59.1 Å²	59.1	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-33.5	178	-63	0	0	0	0	113.8	A1173 A1204 A1205 F1206 F1210 L1211 R1212	A1173-S1208 VanDerWaalsContact CB-OG 3.28Å; A1173-S1208 WeakPolarHBondContact CB-OG 3.29Å; A1204-S1208 WeakPolarHBondContact O-CB 3.48Å; A1204-S1208 PolarHBondContact O-N 3.35Å; A1204-S1208 PolarHBondContact O-OG 3.01Å; A1205-S1208 WeakPolarHBondContact O-CB 3.2Å; A1205-S1208 PolarHBondContact O-N 2.97Å; F1206-S1208 VanDerWaalsContact C-N 3.31Å; F1206-S1208 PolarHBondContact O-N 2.79Å; S1208-F1210 VanDerWaalsContact C-N 3.29Å; S1208-F1210 PolarHBondContact O-N 3.18Å; S1208-L1211 PolarHBondContact O-N 3.14Å; S1208-R1212 WeakPolarHBondContact O-CB 3.36Å; S1208-R1212 WeakPolarHBondContact O-CG 3.44Å; S1208-R1212 PolarHBondContact O-N 3.48Å
1209	I	91.3	Very high	78.6	Confident	31 Å²	31	56.6 Å²	56.6	16%	0.159	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-40.3	177	-72.3	165.4	0	0	0	110.9	L1127 F1130 A1133 A1205 F1206 I1207	L1127-I1209 HydrophobicContact CB-CD1 4.4Å; L1127-I1209 HydrophobicContact CD2-CD1 3.81Å; F1130-I1209 HydrophobicContact CB-CG2 4.07Å; F1130-I1209 HydrophobicContact CD2-CG2 3.97Å; F1130-I1209 HydrophobicContact CG-CG2 4.5Å; A1133-I1209 HydrophobicContact CB-CG2 4.04Å; A1205-I1209 WeakPolarHBondContact O-CG1 3.44Å; A1205-I1209 PolarHBondContact O-N 3.21Å; A1205-I1209 VanDerWaalsContact O-N 3.16Å; F1206-I1209 PolarHBondContact O-N 3.09Å; I1207-I1209 VanDerWaalsContact C-N 3.27Å; I1207-I1209 PolarHBondContact O-N 3.4Å
1210	F	91.7	Very high	76.8	Confident	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-78.4	-41.3	177.5	-67.9	-85.5	0	0	0	112.4	F1130 A1133 V1134 L1137 F1148 Y1149 I1152 Q1156 F1206 I1207 S1208 R1212 Q1213	F1130-F1210 HydrophobicContact CD2-CD1 4.27Å; F1130-F1210 HydrophobicContact CD2-CE1 4.36Å; F1130-F1210 AromaticContact CE2-CD1 3.57Å; F1130-F1210 HydrophobicContact CE2-CD1 3.57Å; F1130-F1210 AromaticContact CE2-CE1 3.81Å; F1130-F1210 HydrophobicContact CE2-CE1 3.81Å; F1130-F1210 HydrophobicContact CE2-CG 4.37Å; F1130-F1210 HydrophobicContact CZ-CD1 4.32Å; F1130-F1210 HydrophobicContact CZ-CE1 4.34Å; A1133-F1210 HydrophobicContact CB-CE2 3.7Å; A1133-F1210 HydrophobicContact CB-CZ 3.64Å; V1134-F1210 HydrophobicContact CG2-CE1 3.85Å; V1134-F1210 HydrophobicContact CG2-CZ 4.34Å; L1137-F1210 HydrophobicContact CD1-CD1 4.47Å; L1137-F1210 HydrophobicContact CD1-CE1 3.55Å; L1137-F1210 HydrophobicContact CD1-CE2 3.95Å; L1137-F1210 HydrophobicContact CD1-CZ 3.25Å; L1137-F1210 HydrophobicContact CG-CZ 4.08Å; F1148-F1210 HydrophobicContact CE1-CD1 4.07Å; F1148-F1210 HydrophobicContact CE1-CD2 4Å; F1148-F1210 HydrophobicContact CE1-CE1 4.22Å; F1148-F1210 HydrophobicContact CE1-CE2 4.16Å; F1148-F1210 AromaticContact CE1-CG 3.98Å; F1148-F1210 HydrophobicContact CE1-CG 3.98Å; F1148-F1210 HydrophobicContact CE1-CZ 4.28Å; F1148-F1210 AromaticContact CZ-CD2 3.7Å; F1148-F1210 HydrophobicContact CZ-CD2 3.7Å; F1148-F1210 AromaticContact CZ-CE2 3.94Å; F1148-F1210 HydrophobicContact CZ-CE2 3.94Å; F1148-F1210 HydrophobicContact CZ-CG 4.06Å; F1148-F1210 HydrophobicContact CZ-CZ 4.5Å; Y1149-F1210 HydrophobicContact CE1-CE1 4.36Å; I1152-F1210 HydrophobicContact CD1-CB 3.64Å; I1152-F1210 HydrophobicContact CD1-CG 4.4Å; I1152-F1210 HydrophobicContact CG1-CB 4.05Å; I1152-F1210 HydrophobicContact CG2-CB 3.98Å; Q1156-F1210 PolarHBondContact NE2-O 3.22Å; F1206-F1210 HydrophobicContact CD1-CE2 4.18Å; F1206-F1210 HydrophobicContact CE1-CD2 4.3Å; F1206-F1210 AromaticContact CE1-CE2 3.65Å; F1206-F1210 HydrophobicContact CE1-CE2 3.65Å; F1206-F1210 HydrophobicContact CE2-CE2 4.22Å; F1206-F1210 AromaticContact CZ-CE2 3.68Å; F1206-F1210 HydrophobicContact CZ-CE2 3.68Å; F1206-F1210 HydrophobicContact CZ-CZ 4.3Å; F1206-F1210 WeakPolarHBondContact O-CD2 3.41Å; I1207-F1210 PolarHBondContact O-N 2.96Å; I1207-F1210 VanDerWaalsContact O-N 3.11Å; S1208-F1210 VanDerWaalsContact C-N 3.29Å; S1208-F1210 PolarHBondContact O-N 3.18Å; F1210-R1212 VanDerWaalsContact C-N 3.26Å; F1210-R1212 PolarHBondContact O-N 2.87Å; F1210-Q1213 PolarHBondContact O-N 2.6Å
1211	L	91	Very high	74.9	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-27.1	179	-63.1	-174	0	0	0	113.4	I1152 M1155 Q1156 L1159 I1169 L1172 A1173 I1207 S1208	I1152-L1211 HydrophobicContact CD1-CD2 4.11Å; M1155-L1211 HydrophobicContact CB-CD2 3.48Å; M1155-L1211 VanDerWaalsContact CB-CD2 3.48Å; M1155-L1211 HydrophobicContact CG-CD2 4.49Å; M1155-L1211 HydrophobicContact SD-CD1 4.27Å; M1155-L1211 HydrophobicContact SD-CD2 4.25Å; Q1156-L1211 HydrophobicContact CG-CD2 4.2Å; L1159-L1211 HydrophobicContact CD1-CB 4.18Å; L1159-L1211 HydrophobicContact CD1-CD1 4.45Å; I1169-L1211 HydrophobicContact CD1-CB 4.5Å; I1169-L1211 HydrophobicContact CG1-CB 4.39Å; I1169-L1211 HydrophobicContact CG2-CB 4.4Å; I1169-L1211 HydrophobicContact CG2-CD1 4.48Å; L1172-L1211 HydrophobicContact CB-CD1 4.06Å; A1173-L1211 HydrophobicContact CB-CD1 4.2Å; I1207-L1211 HydrophobicContact CG2-CD1 3.9Å; I1207-L1211 HydrophobicContact CG2-CG 3.99Å; I1207-L1211 PolarHBondContact O-N 2.85Å; S1208-L1211 PolarHBondContact O-N 3.14Å
1212	R	87.8	Confident	72.7	Confident	167 Å²	167	55.3 Å²	55.3	63%	0.63	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-16.2	177.5	-70	173.8	-176.2	-163.2	-0.2	114.2	I1169 S1208 F1210	I1169-R1212 HydrophobicContact CD1-CG 3.72Å; S1208-R1212 WeakPolarHBondContact O-CB 3.36Å; S1208-R1212 WeakPolarHBondContact O-CG 3.44Å; S1208-R1212 PolarHBondContact O-N 3.48Å; F1210-R1212 VanDerWaalsContact C-N 3.26Å; F1210-R1212 PolarHBondContact O-N 2.87Å
1213	Q	76.6	Confident	70.1	Confident	90 Å²	90	54.9 Å²	54.9	42%	0.421	29%	0.292	S	S	.	.			trans	-101.9	114.4	-179.8	-82.1	-72.5	15	0	0	111.2	F1130 Q1156 F1210 Y1215	F1130-Q1213 HydrophobicContact CB-CG 4.17Å; F1130-Q1213 HydrophobicContact CD2-CB 3.74Å; F1130-Q1213 HydrophobicContact CD2-CG 3.64Å; F1130-Q1213 HydrophobicContact CE2-CB 3.74Å; F1130-Q1213 HydrophobicContact CE2-CG 4.16Å; F1130-Q1213 HydrophobicContact CG-CB 4.38Å; F1130-Q1213 HydrophobicContact CG-CG 3.89Å; F1130-Q1213 HydrophobicContact CZ-CB 4.38Å; Q1156-Q1213 PolarHBondContact NE2-O 3.35Å; F1210-Q1213 PolarHBondContact O-N 2.6Å; Q1213-Y1215 PolarHBondContact O-N 3.42Å
1214	N	63.3	Low	67.4	Low	95 Å²	95	57.4 Å²	57.4	51%	0.508	31%	0.314	S	S	.	.			trans	-67.1	22	175.9	-80.6	-13	0	0	0	114	F1216 I1217 S1218	N1214-F1216 VanDerWaalsContact C-N 3.27Å; N1214-F1216 PolarHBondContact O-N 2.98Å; N1214-F1216 VanDerWaalsContact O-N 3.07Å; N1214-I1217 HydrophobicContact CB-CB 4.32Å; N1214-I1217 CarbonylContact O-C 3.54Å; N1214-I1217 WeakPolarHBondContact O-CA 3.48Å; N1214-I1217 PolarHBondContact O-N 3.13Å; N1214-S1218 PolarHBondContact O-N 3Å; N1214-S1218 PolarHBondContact O-OG 2.59Å
1215	Y	57	Low	64.7	Low	95 Å²	95	60 Å²	60	37%	0.373	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-43.5	-170	-173.4	-100.6	0	0	0	114.1	F1130 Q1213 N1219	F1130-Y1215 HydrophobicContact CE1-CD1 4.46Å; F1130-Y1215 AromaticContact CE1-CD2 3.46Å; F1130-Y1215 HydrophobicContact CE1-CD2 3.46Å; F1130-Y1215 VanDerWaalsContact CE1-CD2 3.46Å; F1130-Y1215 AromaticContact CE1-CE2 3.8Å; F1130-Y1215 HydrophobicContact CE1-CE2 3.8Å; F1130-Y1215 AromaticContact CE1-CG 3.83Å; F1130-Y1215 HydrophobicContact CE1-CG 3.83Å; F1130-Y1215 HydrophobicContact CZ-CD1 4.07Å; F1130-Y1215 AromaticContact CZ-CD2 3.74Å; F1130-Y1215 HydrophobicContact CZ-CD2 3.74Å; F1130-Y1215 HydrophobicContact CZ-CE2 4.35Å; F1130-Y1215 AromaticContact CZ-CG 3.58Å; F1130-Y1215 HydrophobicContact CZ-CG 3.58Å; Q1213-Y1215 PolarHBondContact O-N 3.42Å; Y1215-N1219 VanDerWaalsContact O-CB 3.31Å; Y1215-N1219 WeakPolarHBondContact O-CB 3.49Å
1216	F	54	Low	61.7	Low	16 Å²	16	61.7 Å²	61.7	7%	0.07	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-32.8	178.2	-60.4	-70.7	0	0	0	113.4	Y1149 I1152 N1214 N1219	Y1149-F1216 AromaticContact CD1-CE2 3.94Å; Y1149-F1216 HydrophobicContact CD1-CE2 3.94Å; Y1149-F1216 AromaticContact CD1-CZ 3.5Å; Y1149-F1216 HydrophobicContact CD1-CZ 3.5Å; Y1149-F1216 VanDerWaalsContact CD1-CZ 3.5Å; Y1149-F1216 AromaticContact CE1-CZ 3.99Å; Y1149-F1216 HydrophobicContact CE1-CZ 3.99Å; Y1149-F1216 HydrophobicContact CG-CZ 4.1Å; I1152-F1216 HydrophobicContact CG2-CE2 4.41Å; N1214-F1216 VanDerWaalsContact C-N 3.27Å; N1214-F1216 PolarHBondContact O-N 2.98Å; N1214-F1216 VanDerWaalsContact O-N 3.07Å; F1216-N1219 PolarHBondContact O-N 3.21Å
1217	I	51.3	Low	58.5	Low	87 Å²	87	70.2 Å²	70.2	45%	0.446	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-38.3	177.9	-60.5	176.1	0	0	0	111	Q1156 T1160 N1214 N1219	Q1156-I1217 HydrophobicContact CB-CD1 4.48Å; T1160-I1217 HydrophobicContact CG2-CD1 4.44Å; N1214-I1217 HydrophobicContact CB-CB 4.32Å; N1214-I1217 CarbonylContact O-C 3.54Å; N1214-I1217 WeakPolarHBondContact O-CA 3.48Å; N1214-I1217 PolarHBondContact O-N 3.13Å; I1217-N1219 VanDerWaalsContact C-N 3.34Å
1218	S	43.9	Very low	55.4	Low	90 Å²	90	80.7 Å²	80.7	63%	0.629	43%	0.427	S	S	*	.	S	Bend	trans	-81.7	-7.6	178.2	55.8	0	0	0	0	114.4	N1214 P1220	N1214-S1218 PolarHBondContact O-N 3Å; N1214-S1218 PolarHBondContact O-OG 2.59Å; S1218-P1220 VanDerWaalsContact C-CD 3.41Å; S1218-P1220 WeakPolarHBondContact O-CD 3.18Å
1219	N	45.3	Very low	53.5	Low	72 Å²	72	83.9 Å²	83.9	39%	0.385	44%	0.442	S	S	.	.			trans	-126.6	63.9	-177.4	-136.7	-17.3	0	0	0	111.1	Y1215 F1216 I1217 S1221 L1222	Y1215-N1219 VanDerWaalsContact O-CB 3.31Å; Y1215-N1219 WeakPolarHBondContact O-CB 3.49Å; F1216-N1219 PolarHBondContact O-N 3.21Å; I1217-N1219 VanDerWaalsContact C-N 3.34Å; N1219-S1221 PolarHBondContact O-N 3.05Å; N1219-S1221 PolarHBondContact OD1-OG 2.84Å; N1219-L1222 PolarHBondContact O-N 2.77Å; N1219-L1222 VanDerWaalsContact O-N 3.1Å
1220	P	44.3	Very low	51.6	Low	84 Å²	84	86.7 Å²	86.7	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-9.4	-169.7	27	-36.5	0	0	0	114.3	S1218 L1222 M1223 S1224	S1218-P1220 VanDerWaalsContact C-CD 3.41Å; S1218-P1220 WeakPolarHBondContact O-CD 3.18Å; P1220-L1222 VanDerWaalsContact C-N 3.27Å; P1220-L1222 PolarHBondContact O-N 2.96Å; P1220-M1223 CarbonylContact O-C 3.57Å; P1220-M1223 PolarHBondContact O-N 3.47Å; P1220-M1223 VanDerWaalsContact O-N 3.1Å; P1220-S1224 WeakPolarHBondContact O-CA 3.33Å; P1220-S1224 WeakPolarHBondContact O-CB 3.42Å; P1220-S1224 PolarHBondContact O-N 3.03Å
1221	S	42.1	Very low	49.3	Very low	77 Å²	77	91.4 Å²	91.4	54%	0.538	48%	0.482	S	S	.	.	H	α-helix	trans	-57.4	-38.4	169.1	50.5	0	0	0	0	112.3	N1219 S1224	N1219-S1221 PolarHBondContact O-N 3.05Å; N1219-S1221 PolarHBondContact OD1-OG 2.84Å; S1221-S1224 PolarHBondContact O-N 2.61Å; S1221-S1224 PolarHBondContact O-OG 3.12Å
1222	L	40.7	Very low	46.9	Very low	79 Å²	79	96.5 Å²	96.5	41%	0.414	51%	0.509	S	S	.	.	H	α-helix	trans	-72.1	-28.9	174	-74.8	164.7	0	0	0	112.7	N1219 P1220	N1219-L1222 PolarHBondContact O-N 2.77Å; N1219-L1222 VanDerWaalsContact O-N 3.1Å; P1220-L1222 VanDerWaalsContact C-N 3.27Å; P1220-L1222 PolarHBondContact O-N 2.96Å
1223	M	36.1	Very low	44.3	Very low	61 Å²	61	92.1 Å²	92.1	30%	0.3	50%	0.501	S	S	.	.	H	α-helix	trans	-86.5	-14	175.8	-63.5	-116.4	67.4	0	0	113.2	T1153 P1220 T1225 S1226	T1153-M1223 HydrophobicContact CG2-CE 3.92Å; T1153-M1223 HydrophobicContact CG2-SD 3.98Å; P1220-M1223 CarbonylContact O-C 3.57Å; P1220-M1223 PolarHBondContact O-N 3.47Å; P1220-M1223 VanDerWaalsContact O-N 3.1Å; M1223-T1225 PolarHBondContact O-N 3Å; M1223-S1226 WeakPolarHBondContact O-CB 3.37Å; M1223-S1226 PolarHBondContact O-N 2.99Å; M1223-S1226 PolarHBondContact O-OG 3.32Å
1224	S	36.1	Very low	42.2	Very low	83 Å²	83	92.2 Å²	92.2	58%	0.58	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.9	-170.9	67.5	0	0	0	0	115.2	P1220 S1221	P1220-S1224 WeakPolarHBondContact O-CA 3.33Å; P1220-S1224 WeakPolarHBondContact O-CB 3.42Å; P1220-S1224 PolarHBondContact O-N 3.03Å; S1221-S1224 PolarHBondContact O-N 2.61Å; S1221-S1224 PolarHBondContact O-OG 3.12Å
1225	T	34.5	Very low	40.7	Very low	69 Å²	69	92 Å²	92	42%	0.423	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.3	170.9	53.8	0	0	0	0	113.9	P1041 M1223	P1041-T1225 HydrophobicContact CG-CG2 4.45Å; P1041-T1225 WeakPolarHBondContact CG-OG1 3.12Å; M1223-T1225 PolarHBondContact O-N 3Å
1226	S	28.2	Very low	39.4	Very low	76 Å²	76	91.8 Å²	91.8	53%	0.531	52%	0.517	S	S	.	.			trans	-100.6	7.7	-179.2	68.6	0	0	0	0	115.2	M1223 H1228	M1223-S1226 WeakPolarHBondContact O-CB 3.37Å; M1223-S1226 PolarHBondContact O-N 2.99Å; M1223-S1226 PolarHBondContact O-OG 3.32Å; S1226-H1228 PolarHBondContact O-N 2.99Å
1227	Q	27.2	Very low	38.2	Very low	180 Å²	180	98.1 Å²	98.1	84%	0.841	55%	0.554	S	S	*	*			trans	-78.3	42.7	160.6	-74.6	-165.4	-36.1	0	0	111.9
1228	H	28.5	Very low	37	Very low	219 Å²	219	99.1 Å²	99.1	100%	1.014	56%	0.564	S	S	*	*			trans	-171.1	0	168.9	-92.9	-40.4	0	0	0	111.1	K1040 S1226	K1040-H1228 PolarHBondContact NZ-O 3.24Å; S1226-H1228 PolarHBondContact O-N 2.99Å

Retrieved 1,228 of 1,228 residues in 441.6 ms (Link to these results)

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