A0A087X413_POEFO Loading...

FIG4 phosphoinositide 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087X413, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 848 aa.

						>A0A087X413_POEFO|A0A087X413
MPQTAAVISGIQRMVLYETRARYFLVGSNHAQTKHRVLKIDRTEPKDLVIIDDKHVYNQQEVRELLSRLDLGNRTKMGQKGSSGLSRAVSAFGIVGFVRFLEGYYIVLITKRRKMADIGGHSIYKIEDTTMIYIPNDSVRVSHPDEARYVRIFQNVDLSSNFYFSYSYDLSHSLQYNLTLLQRPYELWSAAPPLTKEEEHTQGKQDSFDIFEDEGLPTQVVYGLQNEPYYKYVWNGKLLERIKDIVHPDWLMYIIHGFCGQSKLLIYGRPVHITLIARRSSKFAGTRFLKRGANCEGDVANEVETEQIVHDASVTSFTAGSYSSYVQVRGSVPLYWSQDISTMMPKPPIRLDQADPYANIAALHFDQMLQRFGSPIIILNLVKKREKRKHEKILSEELYPAVINLNQFLPPDHRIDYIAWDMARYTKSKLCNVLDRLSMIAENVVKRTGFFINRSDFYCHTLRPDDRWRDIGGSVTSTGRLQTGVLRTNCVDCLDRTNTAQFMVGKCALAYQLYALGMIDKPKLQFDTDCVRLFEELYEDHGDTLSLQYGGSQLVHRVKTYRKIAPWTQHSKDIMQTLSRYYSNAFSDADRQDAINLFLQVYQPSEGKAHLWELPTDFYLHQRSTMALQHNRHSYTFWWSEGVLSYLPVPYDEVACENTMKTIKVRRMNQFDESVDIYTEFFKPYELTSFDDTFCIGMTNSAREFMPKSVGVDPSPFTVRKPEETGKSVLGKSSKEETILQRKTAASAPPPPSEEAMSSTSEDDSEEDRDDEGSVSQRSTPIKLLTESGESGRTQEEVQLQQAMTDRILAECPAEEDLLIYERFAHLGENQHTVEKTERINLANIICL
					

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(Predicted Aligned Error values between residue pairs)

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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	35.3	Very low	69.8	Low	211 Å²	211	47.5 Å²	47.5	100%	1.039	27%	0.273	S	S	*	.				0	140.3	0	-67.7	-163.6	170.8	0	0	107.9	Q3	M1-Q3 PolarHBondContact O-N 3.15Å
2	P	46.8	Very low	71.4	Confident	63 Å²	63	43.9 Å²	43.9	41%	0.409	25%	0.252	S	S	.	.			trans	-58.2	134	175.6	24.9	-31.6	0	0	0	109.2	Y222	P2-Y222 HydrophobicContact CB-CD2 3.82Å; P2-Y222 HydrophobicContact CB-CE2 3.53Å; P2-Y222 HydrophobicContact CG-CD2 4.27Å; P2-Y222 HydrophobicContact CG-CE2 3.85Å
3	Q	62.4	Low	73	Confident	103 Å²	103	45.6 Å²	45.6	48%	0.481	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.9	-178.7	-69.6	-179.8	-6.9	0	0	109.4	M1 V221 Y222	M1-Q3 PolarHBondContact O-N 3.15Å; Q3-V221 HydrophobicContact CB-CG2 4.36Å; Q3-V221 WeakPolarHBondContact O-CA 3.43Å; Q3-V221 WeakPolarHBondContact O-CG1 3.23Å; Q3-Y222 PolarHBondContact O-N 2.97Å
4	T	68.1	Low	74.5	Confident	31 Å²	31	42.6 Å²	42.6	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.2	176.2	53.3	0	0	0	0	107.1	L181 W188 Y222	T4-L181 PolarHBondContact OG1-O 2.67Å; T4-W188 HydrophobicContact CG2-CH2 3.26Å; T4-W188 HydrophobicContact CG2-CZ2 4.43Å; T4-W188 HydrophobicContact CG2-CZ3 3.52Å; T4-Y222 WeakPolarHBondContact CA-O 3.45Å
5	A	70.9	Confident	76	Confident	16 Å²	16	41.3 Å²	41.3	13%	0.132	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.5	-177.6	0	0	0	0	0	109.9	V221 Y222 G223 L224 V675	A5-V221 HydrophobicContact CB-CG1 3.72Å; A5-Y222 PolarHBondContact N-O 3.06Å; A5-G223 CarbonylContact O-C 3.55Å; A5-G223 WeakPolarHBondContact O-CA 3.5Å; A5-L224 PolarHBondContact O-N 2.85Å; A5-V675 HydrophobicContact CB-CB 3.93Å; A5-V675 HydrophobicContact CB-CG1 3.72Å
6	A	75.2	Confident	77.3	Confident	19 Å²	19	38.8 Å²	38.8	16%	0.157	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.5	170.8	0	0	0	0	0	109.1	I8	A6-I8 PolarHBondContact O-N 3.18Å
7	V	80.1	Confident	78.3	Confident	23 Å²	23	39.1 Å²	39.1	14%	0.139	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73.5	125	175.6	179.9	0	0	0	0	109.3	L224 M668	V7-L224 PolarHBondContact N-O 3.17Å; V7-L224 VanDerWaalsContact N-O 3.16Å; V7-M668 HydrophobicContact CG2-CE 4.3Å; V7-M668 HydrophobicContact CG2-SD 4.5Å
8	I	81.1	Confident	79.1	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-80.3	131	172.7	-54.5	171.8	0	0	0	107.8	A6 G10 S674 I677 E680	A6-I8 PolarHBondContact O-N 3.18Å; I8-G10 PolarHBondContact O-N 3.44Å; I8-S674 WeakPolarHBondContact CB-O 3.31Å; I8-S674 PolarHBondContact N-O 3.13Å; I8-I677 HydrophobicContact CD1-CG1 4.36Å; I8-E680 HydrophobicContact CD1-CB 3.88Å; I8-E680 HydrophobicContact CD1-CG 4.1Å; I8-E680 HydrophobicContact CG2-CG 4.46Å
9	S	81.1	Confident	79.8	Confident	19 Å²	19	38.5 Å²	38.5	13%	0.133	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-56.8	124.3	173.9	178.4	0	0	0	0	110.5	I11 Y166 D249	S9-I11 PolarHBondContact O-N 3.45Å; S9-Y166 WeakPolarHBondContact CB-O 3.39Å; S9-Y166 PolarHBondContact N-O 3.19Å; S9-D249 PolarHBondContact OG-O 3.41Å
10	G	78.9	Confident	80.1	Confident	25 Å²	25	44.2 Å²	44.2	26%	0.258	23%	0.225	S	C	.	.	S	Bend	trans	-67.2	-12.9	-178	0	0	0	0	0	114.2	I8 S28 N29	I8-G10 PolarHBondContact O-N 3.44Å; G10-S28 CarbonylContact O-C 3.52Å; G10-N29 WeakPolarHBondContact O-CA 3.44Å; G10-N29 WeakPolarHBondContact O-CB 3.5Å; G10-N29 PolarHBondContact O-N 2.79Å
11	I	87.4	Confident	80.5	Confident	9 Å²	9	44 Å²	44	5%	0.046	23%	0.23	C	C	.	.			trans	-118.3	111.8	-178.8	-57.6	172.9	0	0	0	110.1	S9 M14 R36 D249 W250	S9-I11 PolarHBondContact O-N 3.45Å; I11-M14 HydrophobicContact CG2-CE 3.8Å; I11-M14 HydrophobicContact CG2-CG 3.73Å; I11-M14 HydrophobicContact CG2-SD 4.44Å; I11-R36 HydrophobicContact CD1-CB 4.32Å; I11-D249 HydrophobicContact CB-CB 4.38Å; I11-D249 HydrophobicContact CD1-CB 3.93Å; I11-D249 HydrophobicContact CG1-CB 3.86Å; I11-W250 HydrophobicContact CD1-CD2 3.2Å; I11-W250 HydrophobicContact CD1-CE3 3.6Å; I11-W250 HydrophobicContact CD1-CG 3.69Å; I11-W250 HydrophobicContact CD1-CH2 3.98Å; I11-W250 HydrophobicContact CD1-CZ2 3.61Å; I11-W250 HydrophobicContact CD1-CZ3 3.97Å; I11-W250 HydrophobicContact CG2-CE3 4.35Å; I11-W250 HydrophobicContact CG2-CZ3 4.25Å
12	Q	89.5	Confident	83.2	Confident	4 Å²	4	39 Å²	39	2%	0.019	20%	0.2	C	C	.	.			trans	-124.1	-23.9	-179.4	-59	-174	18.7	0	0	113.4	S28 H30 Y166 E680	Q12-S28 PolarHBondContact N-O 3.47Å; Q12-H30 PolarHBondContact OE1-ND1 3.01Å; Q12-Y166 HydrophobicContact CB-CD2 4.12Å; Q12-Y166 HydrophobicContact CB-CE1 4.47Å; Q12-Y166 HydrophobicContact CB-CE2 3.7Å; Q12-Y166 HydrophobicContact CG-CD1 4.3Å; Q12-Y166 HydrophobicContact CG-CD2 3.62Å; Q12-Y166 HydrophobicContact CG-CE1 4.49Å; Q12-Y166 HydrophobicContact CG-CE2 3.76Å; Q12-Y166 HydrophobicContact CG-CG 3.9Å; Q12-Y166 PolarHBondContact O-OH 3.32Å; Q12-E680 PolarHBondContact NE2-OE1 2.65Å; Q12-E680 PolarHBondContact NE2-OE2 3.09Å; Q12-E680 PolarHBondContact OE1-OE1 2.81Å
13	R	92	Very high	85.6	Confident	66 Å²	66	36.4 Å²	36.4	25%	0.249	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	175.8	-67.8	-178	-176.1	-162.4	2	108.2	G27 S28 H30 E686	R13-G27 CarbonylContact O-C 3.58Å; R13-S28 WeakPolarHBondContact CB-OG 3.33Å; R13-S28 PolarHBondContact N-O 2.89Å; R13-S28 PolarHBondContact O-N 3.01Å; R13-S28 PolarHBondContact O-OG 3.24Å; R13-H30 PolarHBondContact NH2-NE2 2.81Å; R13-E686 IonicContact NH2-OE1 3.5Å; R13-E686 IonicContact NH2-OE2 3.46Å
14	M	94.9	Very high	87.1	Confident	3 Å²	3	32 Å²	32	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.4	-177.5	-66.4	164.2	142.6	0	0	110.3	I11 L25 V26 S90 A91 G93 I94 W250	I11-M14 HydrophobicContact CG2-CE 3.8Å; I11-M14 HydrophobicContact CG2-CG 3.73Å; I11-M14 HydrophobicContact CG2-SD 4.44Å; M14-L25 HydrophobicContact CB-CD1 4.04Å; M14-L25 HydrophobicContact CE-CD2 4.16Å; M14-V26 CarbonylContact C-O 3.59Å; M14-V26 VanDerWaalsContact CA-O 3.28Å; M14-V26 WeakPolarHBondContact CA-O 3.4Å; M14-S90 WeakPolarHBondContact O-CA 3.28Å; M14-A91 HydrophobicContact CB-CB 4.21Å; M14-A91 PolarHBondContact N-O 3.42Å; M14-A91 PolarHBondContact O-N 2.8Å; M14-G93 VanDerWaalsContact SD-CA 3.53Å; M14-I94 HydrophobicContact CE-CD1 3.66Å; M14-I94 HydrophobicContact CE-CG1 3.57Å; M14-I94 HydrophobicContact SD-CG1 4.03Å; M14-W250 HydrophobicContact CE-CD2 4.43Å; M14-W250 HydrophobicContact CE-CE3 3.16Å; M14-W250 HydrophobicContact CE-CZ3 3.3Å; M14-W250 HydrophobicContact CG-CZ3 4.3Å
15	V	96.2	Very high	88.4	Confident	23 Å²	23	30.5 Å²	30.5	14%	0.139	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.9	170.9	-175.3	0	0	0	0	108.9	Y17 V26 R87	V15-Y17 HydrophobicContact CB-CE2 3.81Å; V15-Y17 HydrophobicContact CG1-CD2 4.09Å; V15-Y17 HydrophobicContact CG1-CE1 4.26Å; V15-Y17 HydrophobicContact CG1-CE2 3.5Å; V15-V26 PolarHBondContact N-O 3.4Å; V15-V26 PolarHBondContact O-N 2.91Å; V15-R87 HydrophobicContact CG1-CG 3.66Å; V15-R87 VanDerWaalsContact CG1-NE 3.34Å
16	L	96.6	Very high	89.6	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.2	174.4	-172.7	72.8	0	0	0	108.9	Y23 L25 A88 V89 L108 I132	L16-Y23 HydrophobicContact CD1-CD1 4.06Å; L16-Y23 HydrophobicContact CD1-CG 4.14Å; L16-Y23 HydrophobicContact CD2-CD1 3.98Å; L16-Y23 HydrophobicContact CD2-CE1 4.15Å; L16-Y23 HydrophobicContact CG-CD1 3.96Å; L16-L25 HydrophobicContact CB-CD1 3.98Å; L16-L25 HydrophobicContact CD1-CB 4.12Å; L16-L25 HydrophobicContact CD1-CD1 3.95Å; L16-A88 HydrophobicContact CD2-CB 4.23Å; L16-A88 HydrophobicContact CG-CB 4.37Å; L16-A88 PolarHBondContact O-N 3.43Å; L16-V89 HydrophobicContact CB-CB 4.49Å; L16-V89 PolarHBondContact N-O 3.3Å; L16-V89 PolarHBondContact O-N 3Å; L16-L108 HydrophobicContact CB-CD1 4.49Å; L16-L108 HydrophobicContact CD2-CD1 4.23Å; L16-I132 HydrophobicContact CD2-CD1 3.44Å; L16-I132 VanDerWaalsContact CD2-CD1 3.44Å
17	Y	95.1	Very high	90.5	Very high	44 Å²	44	29.3 Å²	29.3	17%	0.173	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.3	170.2	-61.4	-92.4	0	0	0	110.2	V15 Y23 F24 V26 L66 L85 S86 R87	V15-Y17 HydrophobicContact CB-CE2 3.81Å; V15-Y17 HydrophobicContact CG1-CD2 4.09Å; V15-Y17 HydrophobicContact CG1-CE1 4.26Å; V15-Y17 HydrophobicContact CG1-CE2 3.5Å; Y17-Y23 CarbonylContact O-C 3.58Å; Y17-Y23 WeakPolarHBondContact O-CA 3.09Å; Y17-F24 PolarHBondContact N-O 2.94Å; Y17-F24 PolarHBondContact O-N 3.5Å; Y17-V26 HydrophobicContact CD2-CG2 3.88Å; Y17-V26 HydrophobicContact CE2-CB 4.24Å; Y17-V26 HydrophobicContact CE2-CG2 3.79Å; Y17-L66 HydrophobicContact CD2-CD2 3.91Å; Y17-L66 HydrophobicContact CE1-CD1 4.42Å; Y17-L66 HydrophobicContact CE2-CD1 3.94Å; Y17-L66 HydrophobicContact CE2-CD2 3.92Å; Y17-L66 HydrophobicContact CG-CD2 4.23Å; Y17-L85 HydrophobicContact CD1-CD2 4.04Å; Y17-L85 HydrophobicContact CD1-CG 4.06Å; Y17-L85 HydrophobicContact CG-CD1 4.44Å; Y17-L85 HydrophobicContact CG-CD2 4.32Å; Y17-L85 HydrophobicContact CG-CG 4.35Å; Y17-S86 CarbonylContact C-O 3.5Å; Y17-S86 VanDerWaalsContact CA-O 3.24Å; Y17-S86 WeakPolarHBondContact CA-O 3.39Å; Y17-R87 HydrophobicContact CD1-CB 4.08Å; Y17-R87 HydrophobicContact CD1-CG 4.48Å; Y17-R87 HydrophobicContact CE1-CB 3.99Å; Y17-R87 HydrophobicContact CE1-CG 4.19Å
18	E	93.1	Very high	91.1	Very high	61 Å²	61	28.6 Å²	28.6	29%	0.285	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.4	-175.3	-176.6	178.7	179.5	0	0	110.5	Y23 R42 S86 A88	E18-Y23 HydrophobicContact CB-CD1 3.84Å; E18-Y23 HydrophobicContact CB-CE1 3.6Å; E18-Y23 HydrophobicContact CG-CD1 3.97Å; E18-Y23 HydrophobicContact CG-CE1 3.43Å; E18-Y23 VanDerWaalsContact CG-CE1 3.43Å; E18-R42 VanDerWaalsContact CD-NH1 3.32Å; E18-R42 IonicContact OE1-CZ 2.73Å; E18-R42 VanDerWaalsContact OE1-CZ 3.24Å; E18-R42 IonicContact OE1-NH1 3.93Å; E18-R42 PolarHBondContact OE1-NH1 2.93Å; E18-R42 IonicContact OE1-NH2 2.79Å; E18-R42 PolarHBondContact OE1-NH2 3.19Å; E18-S86 PolarHBondContact N-O 2.88Å; E18-S86 PolarHBondContact O-N 3.15Å; E18-S86 PolarHBondContact O-OG 2.83Å; E18-A88 HydrophobicContact CB-CB 4.17Å
19	T	91.4	Very high	91.5	Very high	6 Å²	6	29 Å²	29	4%	0.037	14%	0.14	C	C	.	.			trans	-124.6	169.9	162.1	75.5	0	0	0	0	109.8	A21 R22 F24 R42 L85	T19-A21 PolarHBondContact O-N 2.64Å; T19-A21 VanDerWaalsContact O-N 3.15Å; T19-A21 PolarHBondContact OG1-N 3.31Å; T19-R22 PolarHBondContact N-O 2.86Å; T19-R22 PolarHBondContact OG1-N 3.29Å; T19-R22 VanDerWaalsContact OG1-N 3.12Å; T19-R22 PolarHBondContact OG1-O 3.48Å; T19-F24 HydrophobicContact CG2-CD2 4.09Å; T19-F24 HydrophobicContact CG2-CE2 3.7Å; T19-R42 PolarHBondContact O-NH1 3.31Å; T19-L85 HydrophobicContact CG2-CD1 3.42Å; T19-L85 VanDerWaalsContact CG2-CD1 3.42Å
20	R	85.7	Confident	91.6	Very high	152 Å²	152	28.5 Å²	28.5	57%	0.574	14%	0.135	S	C	*	.	S	Bend	trans	-60	-22	177.2	-70.4	-175.1	-179.4	174.4	-0.8	114.9	N136	R20-N136 PolarHBondContact O-ND2 3.44Å; R20-N136 PolarHBondContact O-OD1 3.01Å; R20-N136 VanDerWaalsContact O-OD1 3.07Å
21	A	88.8	Confident	91.8	Very high	40 Å²	40	28.8 Å²	28.8	33%	0.331	14%	0.135	S	C	.	.	S	Bend	trans	-113.3	-25.5	-176.4	0	0	0	0	0	112.6	T19 R42 T43	T19-A21 PolarHBondContact O-N 2.64Å; T19-A21 VanDerWaalsContact O-N 3.15Å; T19-A21 PolarHBondContact OG1-N 3.31Å; A21-R42 WeakPolarHBondContact O-CB 3.49Å; A21-R42 PolarHBondContact O-N 2.96Å; A21-T43 HydrophobicContact CB-CG2 4.32Å
22	R	93.1	Very high	91.7	Very high	107 Å²	107	31.9 Å²	31.9	40%	0.404	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.6	-170.4	-65.9	-175.1	178.7	165.9	-1.7	111.7	T19 F24 I40	T19-R22 PolarHBondContact N-O 2.86Å; T19-R22 PolarHBondContact OG1-N 3.29Å; T19-R22 VanDerWaalsContact OG1-N 3.12Å; T19-R22 PolarHBondContact OG1-O 3.48Å; R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 3.84Å; R22-F24 HydrophobicContact CB-CZ 4.03Å; R22-I40 CarbonylContact C-O 3.54Å; R22-I40 VanDerWaalsContact CA-O 3.23Å; R22-I40 WeakPolarHBondContact CA-O 3.45Å; R22-I40 WeakPolarHBondContact CB-O 3.05Å
23	Y	95.4	Very high	91.6	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.7	155.9	-71.8	-69.9	0	0	0	110.1	L16 Y17 E18 I40 R42 Y133 I134	L16-Y23 HydrophobicContact CD1-CD1 4.06Å; L16-Y23 HydrophobicContact CD1-CG 4.14Å; L16-Y23 HydrophobicContact CD2-CD1 3.98Å; L16-Y23 HydrophobicContact CD2-CE1 4.15Å; L16-Y23 HydrophobicContact CG-CD1 3.96Å; Y17-Y23 CarbonylContact O-C 3.58Å; Y17-Y23 WeakPolarHBondContact O-CA 3.09Å; E18-Y23 HydrophobicContact CB-CD1 3.84Å; E18-Y23 HydrophobicContact CB-CE1 3.6Å; E18-Y23 HydrophobicContact CG-CD1 3.97Å; E18-Y23 HydrophobicContact CG-CE1 3.43Å; E18-Y23 VanDerWaalsContact CG-CE1 3.43Å; Y23-I40 PolarHBondContact N-O 3.49Å; Y23-I40 PolarHBondContact O-N 3.23Å; Y23-R42 VanDerWaalsContact CD2-CD 3.49Å; Y23-R42 HydrophobicContact CD2-CG 3.62Å; Y23-R42 HydrophobicContact CE2-CG 3.89Å; Y23-R42 VanDerWaalsContact CE2-NE 3.25Å; Y23-R42 HydrophobicContact CG-CG 4.38Å; Y23-R42 PolarHBondContact OH-NH2 3.25Å; Y23-Y133 PolarHBondContact OH-O 3.44Å; Y23-I134 HydrophobicContact CD2-CG2 4.43Å; Y23-I134 WeakPolarHBondContact CE2-O 3.47Å
24	F	95.3	Very high	91.4	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.1	172.3	-61.6	-91.5	0	0	0	108.1	Y17 T19 R22 V37 L38 K39 L69 L85	Y17-F24 PolarHBondContact N-O 2.94Å; Y17-F24 PolarHBondContact O-N 3.5Å; T19-F24 HydrophobicContact CG2-CD2 4.09Å; T19-F24 HydrophobicContact CG2-CE2 3.7Å; R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 3.84Å; R22-F24 HydrophobicContact CB-CZ 4.03Å; F24-V37 HydrophobicContact CD1-CG1 4.41Å; F24-L38 CarbonylContact C-O 2.94Å; F24-L38 WeakPolarHBondContact CA-O 3.34Å; F24-K39 HydrophobicContact CD1-CG 3.81Å; F24-K39 HydrophobicContact CE1-CD 4.2Å; F24-K39 HydrophobicContact CE1-CG 3.82Å; F24-L69 HydrophobicContact CD1-CD1 3.88Å; F24-L69 HydrophobicContact CD2-CD1 4.47Å; F24-L69 HydrophobicContact CE1-CD1 3.82Å; F24-L69 HydrophobicContact CE1-CD2 4.04Å; F24-L69 HydrophobicContact CE2-CD1 4.42Å; F24-L69 HydrophobicContact CE2-CD2 4.49Å; F24-L69 HydrophobicContact CG-CD1 4.21Å; F24-L69 HydrophobicContact CZ-CD1 4.11Å; F24-L69 HydrophobicContact CZ-CD2 3.82Å; F24-L85 HydrophobicContact CD2-CD1 4.11Å
25	L	95.6	Very high	91.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.9	175.5	-173.4	67.1	0	0	0	108.4	M14 L16 V37 L38 I94 W250	M14-L25 HydrophobicContact CB-CD1 4.04Å; M14-L25 HydrophobicContact CE-CD2 4.16Å; L16-L25 HydrophobicContact CB-CD1 3.98Å; L16-L25 HydrophobicContact CD1-CB 4.12Å; L16-L25 HydrophobicContact CD1-CD1 3.95Å; L25-V37 WeakPolarHBondContact O-CA 3.27Å; L25-L38 HydrophobicContact CB-CB 4.23Å; L25-L38 HydrophobicContact CD2-CD1 4.42Å; L25-L38 PolarHBondContact N-O 2.87Å; L25-L38 PolarHBondContact O-N 3.39Å; L25-I94 HydrophobicContact CD2-CD1 3.57Å; L25-I94 HydrophobicContact CD2-CG1 4.02Å; L25-W250 HydrophobicContact CD2-CE3 4.19Å; L25-W250 HydrophobicContact CD2-CH2 4.4Å; L25-W250 HydrophobicContact CD2-CZ3 3.61Å; L25-W250 HydrophobicContact CG-CH2 4.18Å; L25-W250 HydrophobicContact CG-CZ3 3.77Å; L25-W250 WeakPolarHBondContact O-CH2 3.39Å
26	V	95.4	Very high	91.2	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113	178.2	-176.7	0	0	0	0	108.2	M14 V15 Y17 H35 R36 V37 V62 L66	M14-V26 CarbonylContact C-O 3.59Å; M14-V26 VanDerWaalsContact CA-O 3.28Å; M14-V26 WeakPolarHBondContact CA-O 3.4Å; V15-V26 PolarHBondContact N-O 3.4Å; V15-V26 PolarHBondContact O-N 2.91Å; Y17-V26 HydrophobicContact CD2-CG2 3.88Å; Y17-V26 HydrophobicContact CE2-CB 4.24Å; Y17-V26 HydrophobicContact CE2-CG2 3.79Å; V26-H35 HydrophobicContact CG1-CB 4.48Å; V26-R36 CarbonylContact C-O 3.54Å; V26-R36 WeakPolarHBondContact CA-O 3.39Å; V26-V37 HydrophobicContact CG1-CG2 4.46Å; V26-V37 HydrophobicContact CG2-CG1 4.48Å; V26-V37 HydrophobicContact CG2-CG2 4.18Å; V26-V62 HydrophobicContact CG1-CG1 3.94Å; V26-L66 HydrophobicContact CG2-CD2 4.11Å
27	G	94.2	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.2	175.7	0	0	0	0	0	109.7	R13 H35 R36 W250	R13-G27 CarbonylContact O-C 3.58Å; G27-H35 CarbonylContact O-C 3.57Å; G27-H35 WeakPolarHBondContact O-CA 3.49Å; G27-R36 PolarHBondContact N-O 3.48Å; G27-R36 PolarHBondContact O-N 3.45Å; G27-W250 VanDerWaalsContact N-CH2 3.29Å
28	S	92.6	Very high	91.1	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.063	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.7	178.4	54.4	0	0	0	0	110.2	G10 Q12 R13 K34	G10-S28 CarbonylContact O-C 3.52Å; Q12-S28 PolarHBondContact N-O 3.47Å; R13-S28 WeakPolarHBondContact CB-OG 3.33Å; R13-S28 PolarHBondContact N-O 2.89Å; R13-S28 PolarHBondContact O-N 3.01Å; R13-S28 PolarHBondContact O-OG 3.24Å; S28-K34 WeakPolarHBondContact CA-O 3.46Å
29	N	89.1	Confident	91.2	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	17%	0.165	C	C	.	.			trans	-67.9	172.1	166.6	68.2	-21.9	0	0	0	110.6	G10 A31 Q32 T33 K34 E673	G10-N29 WeakPolarHBondContact O-CA 3.44Å; G10-N29 WeakPolarHBondContact O-CB 3.5Å; G10-N29 PolarHBondContact O-N 2.79Å; N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.28Å; N29-Q32 PolarHBondContact O-N 2.76Å; N29-Q32 VanDerWaalsContact O-N 3.15Å; N29-Q32 VanDerWaalsContact OD1-CA 3.27Å; N29-Q32 WeakPolarHBondContact OD1-CA 3.24Å; N29-Q32 PolarHBondContact OD1-N 3.18Å; N29-T33 PolarHBondContact ND2-OG1 3.1Å; N29-T33 PolarHBondContact OD1-N 2.97Å; N29-K34 PolarHBondContact N-O 3.32Å; N29-K34 PolarHBondContact OD1-N 3.37Å; N29-K34 PolarHBondContact OD1-O 3.25Å; N29-E673 PolarHBondContact ND2-OE2 3.32Å
30	H	83.8	Confident	91.4	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-42.3	-177.5	-153	87	0	0	0	113	Q12 R13 Q32 K683 Y685 E686	Q12-H30 PolarHBondContact OE1-ND1 3.01Å; R13-H30 PolarHBondContact NH2-NE2 2.81Å; H30-Q32 PolarHBondContact O-N 3.02Å; H30-K683 PolarHBondContact CE1-NZ 3.26Å; H30-K683 VanDerWaalsContact CE1-NZ 3.28Å; H30-K683 WeakPolarHBondContact NE2-CE 3.4Å; H30-K683 PolarHBondContact NE2-NZ 2.98Å; H30-K683 VanDerWaalsContact NE2-NZ 3.16Å; H30-Y685 WeakPolarHBondContact CB-OH 3.32Å; H30-Y685 AromaticContact CD2-CE2 3.97Å; H30-Y685 AromaticContact CD2-CZ 3.94Å; H30-Y685 PolarHBondContact CD2-OH 2.82Å; H30-E686 IonicContact NE2-OE2 2.66Å
31	A	82.9	Confident	91.8	Very high	31 Å²	31	28.6 Å²	28.6	26%	0.256	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.7	-179	0	0	0	0	0	114	N29 T33 Y685	N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.28Å; A31-T33 HydrophobicContact CB-CG2 3.96Å; A31-T33 PolarHBondContact O-N 3.13Å; A31-Y685 HydrophobicContact CB-CD1 4.45Å; A31-Y685 HydrophobicContact CB-CE1 4.03Å; A31-Y685 HydrophobicContact CB-CE2 4.1Å
32	Q	85.7	Confident	92.1	Very high	74 Å²	74	27.6 Å²	27.6	35%	0.346	13%	0.132	S	C	.	.	S	Bend	trans	54.6	32.7	-175.4	-55.4	-175.2	-6.9	0	0	113.9	N29 H30 H35	N29-Q32 PolarHBondContact O-N 2.76Å; N29-Q32 VanDerWaalsContact O-N 3.15Å; N29-Q32 VanDerWaalsContact OD1-CA 3.27Å; N29-Q32 WeakPolarHBondContact OD1-CA 3.24Å; N29-Q32 PolarHBondContact OD1-N 3.18Å; H30-Q32 PolarHBondContact O-N 3.02Å; Q32-H35 PolarHBondContact O-CE1 2.93Å
33	T	86.4	Confident	92	Very high	62 Å²	62	25.4 Å²	25.4	38%	0.38	13%	0.131	S	C	.	.	S	Bend	trans	-90.2	-39.2	176.3	55.6	0	0	0	0	110.7	N29 A31 E673	N29-T33 PolarHBondContact ND2-OG1 3.1Å; N29-T33 PolarHBondContact OD1-N 2.97Å; A31-T33 HydrophobicContact CB-CG2 3.96Å; A31-T33 PolarHBondContact O-N 3.13Å; T33-E673 VanDerWaalsContact OG1-CD 3.26Å; T33-E673 PolarHBondContact OG1-OE1 3.26Å; T33-E673 PolarHBondContact OG1-OE2 3.36Å
34	K	89.2	Confident	91.7	Very high	89 Å²	89	29 Å²	29	39%	0.387	15%	0.148	S	C	.	.	S	Bend	trans	-114.4	131.3	-179	-62.8	178	-174.6	174.9	0	110.3	S28 N29 V56 D672	S28-K34 WeakPolarHBondContact CA-O 3.46Å; N29-K34 PolarHBondContact N-O 3.32Å; N29-K34 PolarHBondContact OD1-N 3.37Å; N29-K34 PolarHBondContact OD1-O 3.25Å; K34-V56 HydrophobicContact CB-CG1 3.94Å; K34-V56 HydrophobicContact CG-CG1 4.17Å; K34-D672 IonicContact NZ-OD1 3.58Å; K34-D672 PolarHBondContact NZ-OD1 3.11Å; K34-D672 IonicContact NZ-OD2 3.56Å
35	H	92.6	Very high	91.2	Very high	16 Å²	16	30.4 Å²	30.4	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.7	178.6	-58.2	76.7	0	0	0	111.9	V26 G27 Q32 V56 Y57 V62	V26-H35 HydrophobicContact CG1-CB 4.48Å; G27-H35 CarbonylContact O-C 3.57Å; G27-H35 WeakPolarHBondContact O-CA 3.49Å; Q32-H35 PolarHBondContact O-CE1 2.93Å; H35-V56 CarbonylContact O-C 3.53Å; H35-V56 WeakPolarHBondContact O-CA 3.48Å; H35-Y57 PolarHBondContact N-O 2.84Å; H35-Y57 PolarHBondContact O-N 2.83Å; H35-V62 HydrophobicContact CB-CG2 3.4Å
36	R	94.1	Very high	90.7	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.7	171.8	-69.4	-179	176.3	-83.2	2.7	109.5	I11 V26 G27 K54 V56 D249 W250	I11-R36 HydrophobicContact CD1-CB 4.32Å; V26-R36 CarbonylContact C-O 3.54Å; V26-R36 WeakPolarHBondContact CA-O 3.39Å; G27-R36 PolarHBondContact N-O 3.48Å; G27-R36 PolarHBondContact O-N 3.45Å; R36-K54 PolarHBondContact NH1-O 3.27Å; R36-V56 HydrophobicContact CG-CG2 4.47Å; R36-D249 IonicContact NE-OD2 3.24Å; R36-W250 HydrophobicContact CB-CZ2 3.78Å
37	V	94.8	Very high	90.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.9	-178.1	-174.7	0	0	0	0	110.5	F24 L25 V26 D53 Y57 L65	F24-V37 HydrophobicContact CD1-CG1 4.41Å; L25-V37 WeakPolarHBondContact O-CA 3.27Å; V26-V37 HydrophobicContact CG1-CG2 4.46Å; V26-V37 HydrophobicContact CG2-CG1 4.48Å; V26-V37 HydrophobicContact CG2-CG2 4.18Å; V37-D53 PolarHBondContact O-N 3.09Å; V37-Y57 HydrophobicContact CB-CE2 4.37Å; V37-Y57 HydrophobicContact CG2-CD2 4Å; V37-Y57 HydrophobicContact CG2-CE2 3.87Å; V37-L65 HydrophobicContact CG2-CD2 4.08Å
38	L	94.4	Very high	90.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.9	166	-73.8	172.4	0	0	0	110	F24 L25 I50 D52 V246 W250	F24-L38 CarbonylContact C-O 2.94Å; F24-L38 WeakPolarHBondContact CA-O 3.34Å; L25-L38 HydrophobicContact CB-CB 4.23Å; L25-L38 HydrophobicContact CD2-CD1 4.42Å; L25-L38 PolarHBondContact N-O 2.87Å; L25-L38 PolarHBondContact O-N 3.39Å; L38-I50 HydrophobicContact CD2-CG2 3.93Å; L38-D52 HydrophobicContact CD2-CB 3.7Å; L38-V246 HydrophobicContact CD1-CG1 4.28Å; L38-V246 HydrophobicContact CD2-CB 4.16Å; L38-V246 HydrophobicContact CD2-CG1 3.62Å; L38-W250 HydrophobicContact CB-CH2 4.37Å; L38-W250 HydrophobicContact CB-CZ2 4.23Å; L38-W250 HydrophobicContact CD1-CB 4.38Å; L38-W250 HydrophobicContact CD1-CD2 3.25Å; L38-W250 VanDerWaalsContact CD1-CE2 3.47Å; L38-W250 HydrophobicContact CD1-CE3 3.44Å; L38-W250 VanDerWaalsContact CD1-CE3 3.44Å; L38-W250 HydrophobicContact CD1-CG 3.69Å; L38-W250 HydrophobicContact CD1-CH2 4.01Å; L38-W250 HydrophobicContact CD1-CZ2 3.87Å; L38-W250 HydrophobicContact CD1-CZ3 3.83Å; L38-W250 HydrophobicContact CG-CD2 3.79Å; L38-W250 HydrophobicContact CG-CE3 4.22Å; L38-W250 HydrophobicContact CG-CG 4.31Å; L38-W250 HydrophobicContact CG-CH2 3.97Å; L38-W250 HydrophobicContact CG-CZ2 3.51Å; L38-W250 HydrophobicContact CG-CZ3 4.32Å
39	K	95.1	Very high	90.3	Very high	45 Å²	45	41.6 Å²	41.6	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.2	174.3	-59.6	170	-172.3	154.1	0	107.7	F24 I50 I51 D53	F24-K39 HydrophobicContact CD1-CG 3.81Å; F24-K39 HydrophobicContact CE1-CD 4.2Å; F24-K39 HydrophobicContact CE1-CG 3.82Å; K39-I50 WeakPolarHBondContact O-CA 3.28Å; K39-I51 HydrophobicContact CB-CB 4.4Å; K39-I51 PolarHBondContact N-O 3.01Å; K39-I51 PolarHBondContact O-N 3.41Å; K39-D53 VanDerWaalsContact CE-OD2 3.27Å; K39-D53 WeakPolarHBondContact CE-OD2 3.27Å; K39-D53 IonicContact NZ-OD1 2.71Å; K39-D53 PolarHBondContact NZ-OD1 3.4Å; K39-D53 VanDerWaalsContact NZ-OD1 3.12Å; K39-D53 IonicContact NZ-OD2 2.78Å; K39-D53 PolarHBondContact NZ-OD2 3.47Å
40	I	95.6	Very high	90.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.4	179.1	-48	179.1	0	0	0	107.5	R22 Y23 L48 I50 F97 I106 I134	R22-I40 CarbonylContact C-O 3.54Å; R22-I40 VanDerWaalsContact CA-O 3.23Å; R22-I40 WeakPolarHBondContact CA-O 3.45Å; R22-I40 WeakPolarHBondContact CB-O 3.05Å; Y23-I40 PolarHBondContact N-O 3.49Å; Y23-I40 PolarHBondContact O-N 3.23Å; I40-L48 HydrophobicContact CG2-CD1 4.32Å; I40-I50 HydrophobicContact CG1-CG1 4.23Å; I40-I50 HydrophobicContact CG2-CG1 4.23Å; I40-F97 HydrophobicContact CD1-CE1 4.1Å; I40-F97 HydrophobicContact CD1-CZ 4.19Å; I40-I106 HydrophobicContact CD1-CD1 4.15Å; I40-I134 HydrophobicContact CG2-CD1 4.24Å; I40-I134 HydrophobicContact CG2-CG2 3.72Å
41	D	94.6	Very high	91	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.4	177.9	-150.9	-22.2	0	0	0	111.7	T43 V49 I134	D41-T43 PolarHBondContact OD1-N 2.81Å; D41-T43 PolarHBondContact OD1-OG1 3.06Å; D41-V49 HydrophobicContact CB-CB 3.91Å; D41-V49 HydrophobicContact CB-CG1 4.43Å; D41-V49 PolarHBondContact N-O 3.47Å; D41-I134 VanDerWaalsContact O-CG2 3.32Å; D41-I134 WeakPolarHBondContact O-CG2 3.34Å
42	R	93.5	Very high	91.4	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.068	23%	0.226	C	C	.	.	S	Bend	trans	-116.8	-3.5	176.6	-53.4	177.9	67.4	-172.5	6.6	112.7	E18 T19 A21 Y23 I134 N136	E18-R42 VanDerWaalsContact CD-NH1 3.32Å; E18-R42 IonicContact OE1-CZ 2.73Å; E18-R42 VanDerWaalsContact OE1-CZ 3.24Å; E18-R42 IonicContact OE1-NH1 3.93Å; E18-R42 PolarHBondContact OE1-NH1 2.93Å; E18-R42 IonicContact OE1-NH2 2.79Å; E18-R42 PolarHBondContact OE1-NH2 3.19Å; T19-R42 PolarHBondContact O-NH1 3.31Å; A21-R42 WeakPolarHBondContact O-CB 3.49Å; A21-R42 PolarHBondContact O-N 2.96Å; Y23-R42 VanDerWaalsContact CD2-CD 3.49Å; Y23-R42 HydrophobicContact CD2-CG 3.62Å; Y23-R42 HydrophobicContact CE2-CG 3.89Å; Y23-R42 VanDerWaalsContact CE2-NE 3.25Å; Y23-R42 HydrophobicContact CG-CG 4.38Å; Y23-R42 PolarHBondContact OH-NH2 3.25Å; R42-I134 WeakPolarHBondContact CB-O 3.36Å; R42-I134 VanDerWaalsContact CG-O 3.27Å; R42-I134 WeakPolarHBondContact CG-O 3.25Å; R42-I134 PolarHBondContact NE-O 3.44Å; R42-I134 VanDerWaalsContact NE-O 3.11Å; R42-N136 WeakPolarHBondContact CB-OD1 3.5Å; R42-N136 WeakPolarHBondContact CD-OD1 3.47Å; R42-N136 PolarHBondContact NE-OD1 3.32Å; R42-N136 PolarHBondContact O-N 3.38Å; R42-N136 PolarHBondContact O-ND2 3.49Å
43	T	91.5	Very high	91.4	Very high	62 Å²	62	43.4 Å²	43.4	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-82.9	-23.6	-179.3	62.9	0	0	0	0	113	A21 D41	A21-T43 HydrophobicContact CB-CG2 4.32Å; D41-T43 PolarHBondContact OD1-N 2.81Å; D41-T43 PolarHBondContact OD1-OG1 3.06Å
44	E	89.6	Confident	91.4	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	24%	0.238	S	C	.	.			trans	-82.1	125.1	175.2	-66.2	-61.1	160.9	0	0	110.5	D47 V49	E44-D47 HydrophobicContact CB-CB 4.39Å; E44-V49 HydrophobicContact CG-CG2 4.25Å
45	P	84.8	Confident	91.3	Very high	40 Å²	40	48.2 Å²	48.2	26%	0.26	24%	0.24	S	C	.	.	S	Bend	trans	-74.4	-37.2	-175.3	27.6	-33.6	0	0	0	112.4	P135	P45-P135 WeakPolarHBondContact O-CG 3.38Å
46	K	85.5	Confident	91.2	Very high	59 Å²	59	50.4 Å²	50.4	26%	0.257	25%	0.254	S	S	.	.	S	Bend	trans	-119.9	-14.7	-166.2	-84.2	-177.2	176.2	-176.7	0	113.7	R99 Y104 E606	K46-R99 PolarHBondContact O-NH1 2.89Å; K46-Y104 WeakPolarHBondContact O-CE2 3.18Å; K46-E606 VanDerWaalsContact NZ-CD 3.3Å; K46-E606 IonicContact NZ-OE1 3.09Å; K46-E606 PolarHBondContact NZ-OE1 3.2Å; K46-E606 IonicContact NZ-OE2 2.73Å; K46-E606 PolarHBondContact NZ-OE2 2.97Å
47	D	88.9	Confident	91.1	Very high	104 Å²	104	50 Å²	50	56%	0.556	25%	0.253	S	S	*	.			trans	-108.4	144.4	-176.6	-69.6	-23.5	0	0	0	112	E44	E44-D47 HydrophobicContact CB-CB 4.39Å
48	L	92	Very high	90.9	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.173	27%	0.268	C	S	.	.			trans	-97.8	101.6	178.2	-177.8	65.3	0	0	0	109	I40 I50 F97 Y104 I134 I242	I40-L48 HydrophobicContact CG2-CD1 4.32Å; L48-I50 HydrophobicContact CD1-CD1 3.85Å; L48-I50 HydrophobicContact CD1-CG1 4.01Å; L48-I50 HydrophobicContact CD2-CD1 3.76Å; L48-I50 HydrophobicContact CG-CD1 3.72Å; L48-I50 HydrophobicContact CG-CG1 4Å; L48-F97 HydrophobicContact CD1-CD1 3.84Å; L48-F97 HydrophobicContact CD1-CE1 4.16Å; L48-F97 HydrophobicContact CD2-CB 3.78Å; L48-F97 HydrophobicContact CD2-CD1 3.85Å; L48-F97 HydrophobicContact CD2-CD2 4.38Å; L48-F97 HydrophobicContact CD2-CG 3.73Å; L48-Y104 HydrophobicContact CB-CD1 4.17Å; L48-Y104 HydrophobicContact CB-CD2 3.84Å; L48-Y104 HydrophobicContact CB-CE1 4.08Å; L48-Y104 HydrophobicContact CB-CE2 3.69Å; L48-Y104 HydrophobicContact CB-CG 4.08Å; L48-Y104 HydrophobicContact CD1-CG 4.33Å; L48-Y104 HydrophobicContact CD2-CD1 4.21Å; L48-Y104 HydrophobicContact CD2-CE1 4.27Å; L48-I134 HydrophobicContact CD1-CD1 3.78Å; L48-I242 HydrophobicContact CD2-CG2 4.13Å
49	V	92.9	Very high	90.7	Very high	56 Å²	56	56.9 Å²	56.9	34%	0.339	29%	0.287	S	S	.	.			trans	-103.6	110	176.2	-176.1	0	0	0	0	109	D41 E44	D41-V49 HydrophobicContact CB-CB 3.91Å; D41-V49 HydrophobicContact CB-CG1 4.43Å; D41-V49 PolarHBondContact N-O 3.47Å; E44-V49 HydrophobicContact CG-CG2 4.25Å
50	I	93.7	Very high	90.5	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.9	177.9	-64	168.4	0	0	0	108.5	L38 K39 I40 L48 F97 I242 I245 V246	L38-I50 HydrophobicContact CD2-CG2 3.93Å; K39-I50 WeakPolarHBondContact O-CA 3.28Å; I40-I50 HydrophobicContact CG1-CG1 4.23Å; I40-I50 HydrophobicContact CG2-CG1 4.23Å; L48-I50 HydrophobicContact CD1-CD1 3.85Å; L48-I50 HydrophobicContact CD1-CG1 4.01Å; L48-I50 HydrophobicContact CD2-CD1 3.76Å; L48-I50 HydrophobicContact CG-CD1 3.72Å; L48-I50 HydrophobicContact CG-CG1 4Å; I50-F97 HydrophobicContact CD1-CD1 4.41Å; I50-F97 HydrophobicContact CD1-CD2 4.44Å; I50-F97 HydrophobicContact CD1-CE1 3.9Å; I50-F97 HydrophobicContact CD1-CE2 3.97Å; I50-F97 HydrophobicContact CD1-CZ 3.66Å; I50-I242 HydrophobicContact CD1-CG2 3.45Å; I50-I242 VanDerWaalsContact CD1-CG2 3.45Å; I50-I245 WeakPolarHBondContact O-CG2 3.41Å; I50-V246 HydrophobicContact CG2-CG1 3.88Å
51	I	93.1	Very high	90.4	Very high	85 Å²	85	65.3 Å²	65.3	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.8	178	-54.2	173.2	0	0	0	107.9	K39	K39-I51 HydrophobicContact CB-CB 4.4Å; K39-I51 PolarHBondContact N-O 3.01Å; K39-I51 PolarHBondContact O-N 3.41Å
52	D	91.4	Very high	90.3	Very high	16 Å²	16	64.1 Å²	64.1	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.6	168.4	-165.8	-18.6	0	0	0	109.3	L38 K54 H247	L38-D52 HydrophobicContact CD2-CB 3.7Å; D52-K54 HydrophobicContact CB-CG 4.35Å; D52-K54 PolarHBondContact O-N 2.88Å; D52-K54 PolarHBondContact OD1-N 3.28Å; D52-H247 WeakPolarHBondContact OD2-CB 3.45Å; D52-H247 PolarHBondContact OD2-N 3.33Å
53	D	85.6	Confident	90.2	Very high	51 Å²	51	70 Å²	70	27%	0.273	34%	0.343	S	S	.	.			trans	-65.7	-17.2	176.5	-130	-13.8	0	0	0	111.7	V37 K39 H55 Y57	V37-D53 PolarHBondContact O-N 3.09Å; K39-D53 VanDerWaalsContact CE-OD2 3.27Å; K39-D53 WeakPolarHBondContact CE-OD2 3.27Å; K39-D53 IonicContact NZ-OD1 2.71Å; K39-D53 PolarHBondContact NZ-OD1 3.4Å; K39-D53 VanDerWaalsContact NZ-OD1 3.12Å; K39-D53 IonicContact NZ-OD2 2.78Å; K39-D53 PolarHBondContact NZ-OD2 3.47Å; D53-H55 PolarHBondContact O-N 2.82Å; D53-Y57 PolarHBondContact OD2-OH 2.79Å
54	K	85.6	Confident	90.3	Very high	161 Å²	161	71.8 Å²	71.8	70%	0.7	35%	0.347	S	S	*	.			trans	56.1	-11.3	-174.8	-61	-173.1	179.5	-172.5	0	115.2	R36 D52	R36-K54 PolarHBondContact NH1-O 3.27Å; D52-K54 HydrophobicContact CB-CG 4.35Å; D52-K54 PolarHBondContact O-N 2.88Å; D52-K54 PolarHBondContact OD1-N 3.28Å
55	H	88.6	Confident	90.4	Very high	92 Å²	92	69.6 Å²	69.6	43%	0.426	34%	0.338	S	S	.	.			trans	-77.4	142.2	177.8	-167.6	76.4	0	0	0	111.7	D53 Y57	D53-H55 PolarHBondContact O-N 2.82Å; H55-Y57 HydrophobicContact CB-CE2 3.98Å; H55-Y57 AromaticContact CD2-CD1 3.48Å; H55-Y57 VanDerWaalsContact CD2-CD1 3.48Å; H55-Y57 WeakPolarHBondContact CD2-CD1 3.47Å; H55-Y57 AromaticContact CD2-CD2 3.83Å; H55-Y57 AromaticContact CD2-CE1 3.38Å; H55-Y57 WeakPolarHBondContact CD2-CE1 3.31Å; H55-Y57 AromaticContact CD2-CE2 3.73Å; H55-Y57 AromaticContact CD2-CG 3.7Å; H55-Y57 AromaticContact CD2-CZ 3.48Å; H55-Y57 VanDerWaalsContact CD2-CZ 3.48Å; H55-Y57 AromaticContact NE2-CD1 3.99Å
56	V	89.7	Confident	90.7	Very high	62 Å²	62	68.8 Å²	68.8	38%	0.376	33%	0.331	S	S	.	.			trans	-104	113.3	174.1	-178.5	0	0	0	0	107.9	K34 H35 R36	K34-V56 HydrophobicContact CB-CG1 3.94Å; K34-V56 HydrophobicContact CG-CG1 4.17Å; H35-V56 CarbonylContact O-C 3.53Å; H35-V56 WeakPolarHBondContact O-CA 3.48Å; R36-V56 HydrophobicContact CG-CG2 4.47Å
57	Y	91.4	Very high	90.9	Very high	31 Å²	31	69.7 Å²	69.7	12%	0.122	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-95.1	145.8	-178.5	-62.4	-89	0	0	0	111.3	H35 V37 D53 H55 E61 V62 L65	H35-Y57 PolarHBondContact N-O 2.84Å; H35-Y57 PolarHBondContact O-N 2.83Å; V37-Y57 HydrophobicContact CB-CE2 4.37Å; V37-Y57 HydrophobicContact CG2-CD2 4Å; V37-Y57 HydrophobicContact CG2-CE2 3.87Å; D53-Y57 PolarHBondContact OD2-OH 2.79Å; H55-Y57 HydrophobicContact CB-CE2 3.98Å; H55-Y57 AromaticContact CD2-CD1 3.48Å; H55-Y57 VanDerWaalsContact CD2-CD1 3.48Å; H55-Y57 WeakPolarHBondContact CD2-CD1 3.47Å; H55-Y57 AromaticContact CD2-CD2 3.83Å; H55-Y57 AromaticContact CD2-CE1 3.38Å; H55-Y57 WeakPolarHBondContact CD2-CE1 3.31Å; H55-Y57 AromaticContact CD2-CE2 3.73Å; H55-Y57 AromaticContact CD2-CG 3.7Å; H55-Y57 AromaticContact CD2-CZ 3.48Å; H55-Y57 VanDerWaalsContact CD2-CZ 3.48Å; H55-Y57 AromaticContact NE2-CD1 3.99Å; Y57-E61 WeakPolarHBondContact CA-OE2 3.22Å; Y57-E61 HydrophobicContact CD1-CB 4.01Å; Y57-V62 HydrophobicContact CD2-CG2 4.36Å; Y57-V62 HydrophobicContact CG-CG2 3.84Å; Y57-L65 HydrophobicContact CE1-CD2 4.05Å; Y57-L65 HydrophobicContact CE2-CD2 4.33Å
58	N	92.3	Very high	90.9	Very high	64 Å²	64	72.4 Å²	72.4	34%	0.342	35%	0.347	S	S	.	.			trans	-80.9	171.4	164.1	73.1	41	0	0	0	111.6	Q60 E61 V62	N58-Q60 VanDerWaalsContact C-N 3.28Å; N58-Q60 PolarHBondContact O-N 3.12Å; N58-Q60 WeakPolarHBondContact OD1-CA 3.43Å; N58-Q60 PolarHBondContact OD1-N 3.25Å; N58-E61 PolarHBondContact N-OE2 2.84Å; N58-E61 PolarHBondContact ND2-OE1 3.03Å; N58-E61 VanDerWaalsContact ND2-OE1 3.1Å; N58-E61 PolarHBondContact ND2-OE2 2.74Å; N58-E61 PolarHBondContact O-N 3.35Å; N58-E61 WeakPolarHBondContact OD1-CB 3.38Å; N58-E61 VanDerWaalsContact OD1-CG 3.28Å; N58-E61 WeakPolarHBondContact OD1-CG 3.48Å; N58-E61 PolarHBondContact OD1-N 3.15Å; N58-V62 PolarHBondContact O-N 2.95Å
59	Q	89.3	Confident	90.8	Very high	86 Å²	86	72.5 Å²	72.5	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-28.1	-176.6	-159.1	-164.9	30	0	0	114	R63	Q59-R63 WeakPolarHBondContact O-CG 3.35Å; Q59-R63 PolarHBondContact O-N 3.4Å; Q59-R63 PolarHBondContact O-NE 2.66Å; Q59-R63 VanDerWaalsContact OE1-NH2 3.14Å
60	Q	91.8	Very high	90.5	Very high	143 Å²	143	71.4 Å²	71.4	67%	0.668	34%	0.34	S	S	*	.	H	α-helix	trans	-78.7	-44.2	178.5	-65.8	-176.3	0.5	0	0	110.8	N58 V62 R63 E64	N58-Q60 VanDerWaalsContact C-N 3.28Å; N58-Q60 PolarHBondContact O-N 3.12Å; N58-Q60 WeakPolarHBondContact OD1-CA 3.43Å; N58-Q60 PolarHBondContact OD1-N 3.25Å; Q60-V62 PolarHBondContact O-N 3.21Å; Q60-R63 WeakPolarHBondContact O-CB 3.19Å; Q60-R63 PolarHBondContact O-N 2.92Å; Q60-E64 PolarHBondContact O-N 2.71Å
61	E	93.1	Very high	90.2	Very high	81 Å²	81	77 Å²	77	38%	0.379	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-42.9	178.7	-69.9	164.5	173.2	0	0	112	Y57 N58 R63 E64 L65	Y57-E61 WeakPolarHBondContact CA-OE2 3.22Å; Y57-E61 HydrophobicContact CD1-CB 4.01Å; N58-E61 PolarHBondContact N-OE2 2.84Å; N58-E61 PolarHBondContact ND2-OE1 3.03Å; N58-E61 VanDerWaalsContact ND2-OE1 3.1Å; N58-E61 PolarHBondContact ND2-OE2 2.74Å; N58-E61 PolarHBondContact O-N 3.35Å; N58-E61 WeakPolarHBondContact OD1-CB 3.38Å; N58-E61 VanDerWaalsContact OD1-CG 3.28Å; N58-E61 WeakPolarHBondContact OD1-CG 3.48Å; N58-E61 PolarHBondContact OD1-N 3.15Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 2.92Å; E61-E64 PolarHBondContact O-N 3.03Å; E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 3.07Å
62	V	91.9	Very high	89.7	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-42.9	174.4	171.3	0	0	0	0	111.3	V26 H35 Y57 N58 Q60 E64 L65 L66	V26-V62 HydrophobicContact CG1-CG1 3.94Å; H35-V62 HydrophobicContact CB-CG2 3.4Å; Y57-V62 HydrophobicContact CD2-CG2 4.36Å; Y57-V62 HydrophobicContact CG-CG2 3.84Å; N58-V62 PolarHBondContact O-N 2.95Å; Q60-V62 PolarHBondContact O-N 3.21Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 3.05Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-L66 HydrophobicContact CG1-CD1 3.75Å; V62-L66 HydrophobicContact CG1-CG 4.14Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.15Å
63	R	91.5	Very high	89.2	Confident	141 Å²	141	78.1 Å²	78.1	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-42.3	178.3	-81.2	-175.8	-81.1	172.6	-12.2	111.1	Q59 Q60 E61 S67	Q59-R63 WeakPolarHBondContact O-CG 3.35Å; Q59-R63 PolarHBondContact O-N 3.4Å; Q59-R63 PolarHBondContact O-NE 2.66Å; Q59-R63 VanDerWaalsContact OE1-NH2 3.14Å; Q60-R63 WeakPolarHBondContact O-CB 3.19Å; Q60-R63 PolarHBondContact O-N 2.92Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 2.92Å; R63-S67 WeakPolarHBondContact O-CB 3.38Å; R63-S67 PolarHBondContact O-N 3.07Å
64	E	93.4	Very high	88.9	Confident	100 Å²	100	82.7 Å²	82.7	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-43.2	175.9	-169.2	176.6	-171	0	0	111.9	Q60 E61 V62 L66 S67 R68	Q60-E64 PolarHBondContact O-N 2.71Å; E61-E64 PolarHBondContact O-N 3.03Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 3.05Å; E64-L66 PolarHBondContact O-N 2.78Å; E64-S67 WeakPolarHBondContact O-CB 3.48Å; E64-S67 PolarHBondContact O-N 2.95Å; E64-R68 HydrophobicContact CG-CG 4.48Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 2.79Å; E64-R68 IonicContact OE1-CZ 3.06Å; E64-R68 VanDerWaalsContact OE1-CZ 3.29Å; E64-R68 IonicContact OE1-NE 3.3Å; E64-R68 PolarHBondContact OE1-NE 3.46Å; E64-R68 IonicContact OE1-NH2 3.72Å; E64-R68 PolarHBondContact OE1-NH2 3.17Å; E64-R68 IonicContact OE2-NH2 3.9Å
65	L	91.9	Very high	87.9	Confident	38 Å²	38	78.5 Å²	78.5	20%	0.199	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-50	175.4	176.9	65.7	0	0	0	111.2	V37 Y57 E61 V62 S67 R68 L69	V37-L65 HydrophobicContact CG2-CD2 4.08Å; Y57-L65 HydrophobicContact CE1-CD2 4.05Å; Y57-L65 HydrophobicContact CE2-CD2 4.33Å; E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 3.07Å; V62-L65 PolarHBondContact O-N 3.34Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.26Å; L65-R68 PolarHBondContact O-N 3.22Å; L65-L69 HydrophobicContact CD1-CD1 4.37Å; L65-L69 HydrophobicContact CD1-CG 4.45Å; L65-L69 HydrophobicContact CG-CD1 4.16Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 2.92Å
66	L	90.8	Very high	86.3	Confident	23 Å²	23	83.6 Å²	83.6	12%	0.12	41%	0.414	C	S	.	.	H	α-helix	trans	-63	-38.9	178.1	-66.9	171.8	0	0	0	111.5	Y17 V26 V62 E64 L69 D70 L85	Y17-L66 HydrophobicContact CD2-CD2 3.91Å; Y17-L66 HydrophobicContact CE1-CD1 4.42Å; Y17-L66 HydrophobicContact CE2-CD1 3.94Å; Y17-L66 HydrophobicContact CE2-CD2 3.92Å; Y17-L66 HydrophobicContact CG-CD2 4.23Å; V26-L66 HydrophobicContact CG2-CD2 4.11Å; V62-L66 HydrophobicContact CG1-CD1 3.75Å; V62-L66 HydrophobicContact CG1-CG 4.14Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.15Å; E64-L66 PolarHBondContact O-N 2.78Å; L66-L69 PolarHBondContact O-N 2.98Å; L66-D70 WeakPolarHBondContact O-CB 3.02Å; L66-D70 PolarHBondContact O-N 3.35Å; L66-L85 HydrophobicContact CB-CD2 4.04Å; L66-L85 HydrophobicContact CD2-CD2 3.71Å; L66-L85 HydrophobicContact CG-CD2 4.48Å; L66-L85 WeakPolarHBondContact O-CD2 3.48Å
67	S	89.7	Confident	84.3	Confident	77 Å²	77	90.6 Å²	90.6	54%	0.538	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.1	-174	0	0	0	0	112.3	R63 E64 L65 D70 L71	R63-S67 WeakPolarHBondContact O-CB 3.38Å; R63-S67 PolarHBondContact O-N 3.07Å; E64-S67 WeakPolarHBondContact O-CB 3.48Å; E64-S67 PolarHBondContact O-N 2.95Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.26Å; S67-D70 PolarHBondContact O-N 2.87Å; S67-L71 WeakPolarHBondContact O-CB 3.16Å; S67-L71 PolarHBondContact O-N 2.74Å
68	R	89.8	Confident	82.4	Confident	162 Å²	162	92.8 Å²	92.8	61%	0.611	48%	0.477	S	S	*	.	H	α-helix	trans	-67.3	-40.6	176.7	-71.3	174.8	-175.4	178.8	1.9	111.1	E64 L65 L71 G72	E64-R68 HydrophobicContact CG-CG 4.48Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 2.79Å; E64-R68 IonicContact OE1-CZ 3.06Å; E64-R68 VanDerWaalsContact OE1-CZ 3.29Å; E64-R68 IonicContact OE1-NE 3.3Å; E64-R68 PolarHBondContact OE1-NE 3.46Å; E64-R68 IonicContact OE1-NH2 3.72Å; E64-R68 PolarHBondContact OE1-NH2 3.17Å; E64-R68 IonicContact OE2-NH2 3.9Å; L65-R68 PolarHBondContact O-N 3.22Å; R68-L71 PolarHBondContact O-N 3.02Å; R68-G72 PolarHBondContact O-N 3.04Å
69	L	88.7	Confident	80.3	Confident	35 Å²	35	97 Å²	97	18%	0.183	50%	0.495	C	S	.	.	H	α-helix	trans	-63.4	-43.4	174.8	-73	173.4	0	0	0	111.5	F24 L65 L66 G72 N73 L85	F24-L69 HydrophobicContact CD1-CD1 3.88Å; F24-L69 HydrophobicContact CD2-CD1 4.47Å; F24-L69 HydrophobicContact CE1-CD1 3.82Å; F24-L69 HydrophobicContact CE1-CD2 4.04Å; F24-L69 HydrophobicContact CE2-CD1 4.42Å; F24-L69 HydrophobicContact CE2-CD2 4.49Å; F24-L69 HydrophobicContact CG-CD1 4.21Å; F24-L69 HydrophobicContact CZ-CD1 4.11Å; F24-L69 HydrophobicContact CZ-CD2 3.82Å; L65-L69 HydrophobicContact CD1-CD1 4.37Å; L65-L69 HydrophobicContact CD1-CG 4.45Å; L65-L69 HydrophobicContact CG-CD1 4.16Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 2.92Å; L66-L69 PolarHBondContact O-N 2.98Å; L69-G72 PolarHBondContact O-N 3.16Å; L69-N73 WeakPolarHBondContact O-CB 3.44Å; L69-N73 PolarHBondContact O-N 2.92Å; L69-N73 VanDerWaalsContact O-N 3.13Å; L69-N73 PolarHBondContact O-ND2 2.89Å; L69-L85 HydrophobicContact CB-CD2 4.3Å
70	D	87.8	Confident	78.1	Confident	33 Å²	33	103.5 Å²	103.5	18%	0.176	52%	0.522	C	S	.	.	H	α-helix	trans	-60.7	-49.7	175.5	-175.9	36.4	0	0	0	111.2	L66 S67 G72 N73 R74 G84 L85	L66-D70 WeakPolarHBondContact O-CB 3.02Å; L66-D70 PolarHBondContact O-N 3.35Å; S67-D70 PolarHBondContact O-N 2.87Å; D70-G72 PolarHBondContact O-N 3.28Å; D70-N73 PolarHBondContact O-N 2.9Å; D70-R74 VanDerWaalsContact O-CG 3.31Å; D70-R74 WeakPolarHBondContact O-CG 3.18Å; D70-R74 PolarHBondContact O-N 3.04Å; D70-R74 IonicContact OD1-CZ 3.17Å; D70-R74 IonicContact OD1-NE 2.76Å; D70-R74 PolarHBondContact OD1-NE 2.83Å; D70-R74 IonicContact OD1-NH2 2.67Å; D70-R74 IonicContact OD2-CZ 2.77Å; D70-R74 IonicContact OD2-NE 2.77Å; D70-R74 PolarHBondContact OD2-NE 3.49Å; D70-R74 IonicContact OD2-NH2 3.23Å; D70-R74 PolarHBondContact OD2-NH2 2.98Å; D70-G84 WeakPolarHBondContact OD1-CA 3.37Å; D70-L85 HydrophobicContact CB-CB 3.69Å; D70-L85 PolarHBondContact OD1-N 3.39Å
71	L	85.9	Confident	76.1	Confident	129 Å²	129	99.9 Å²	99.9	68%	0.675	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-41.3	-179.8	-160.7	77.3	0	0	0	112.4	S67 R68 N73 R74	S67-L71 WeakPolarHBondContact O-CB 3.16Å; S67-L71 PolarHBondContact O-N 2.74Å; R68-L71 PolarHBondContact O-N 3.02Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.33Å; L71-R74 PolarHBondContact O-N 3.18Å
72	G	82.6	Confident	74.2	Confident	67 Å²	67	97.3 Å²	97.3	69%	0.691	51%	0.514	S	S	*	.	H	α-helix	trans	-69.6	-25.5	-179.7	0	0	0	0	0	114.2	R68 L69 D70	R68-G72 PolarHBondContact O-N 3.04Å; L69-G72 PolarHBondContact O-N 3.16Å; D70-G72 PolarHBondContact O-N 3.28Å
73	N	82.6	Confident	72.8	Confident	58 Å²	58	100.4 Å²	100.4	31%	0.31	54%	0.536	S	S	.	.	H	α-helix	trans	-95	-7.5	178.8	-72.9	-75.9	0	0	0	113.5	L69 D70 L71 T75	L69-N73 WeakPolarHBondContact O-CB 3.44Å; L69-N73 PolarHBondContact O-N 2.92Å; L69-N73 VanDerWaalsContact O-N 3.13Å; L69-N73 PolarHBondContact O-ND2 2.89Å; D70-N73 PolarHBondContact O-N 2.9Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.33Å; N73-T75 PolarHBondContact O-N 3Å
74	R	79.6	Confident	72.1	Confident	147 Å²	147	94 Å²	94	56%	0.555	51%	0.514	S	S	*	.	S	Bend	trans	-77.1	115.5	171	-73.7	171.1	-175.9	-145.9	5.8	109.7	D70 L71	D70-R74 VanDerWaalsContact O-CG 3.31Å; D70-R74 WeakPolarHBondContact O-CG 3.18Å; D70-R74 PolarHBondContact O-N 3.04Å; D70-R74 IonicContact OD1-CZ 3.17Å; D70-R74 IonicContact OD1-NE 2.76Å; D70-R74 PolarHBondContact OD1-NE 2.83Å; D70-R74 IonicContact OD1-NH2 2.67Å; D70-R74 IonicContact OD2-CZ 2.77Å; D70-R74 IonicContact OD2-NE 2.77Å; D70-R74 PolarHBondContact OD2-NE 3.49Å; D70-R74 IonicContact OD2-NH2 3.23Å; D70-R74 PolarHBondContact OD2-NH2 2.98Å; L71-R74 PolarHBondContact O-N 3.18Å
75	T	63.6	Low	71.8	Confident	72 Å²	72	90.6 Å²	90.6	44%	0.442	50%	0.499	S	S	.	.			trans	-70.4	146.5	170.3	53.3	0	0	0	0	110.4	N73 S82	N73-T75 PolarHBondContact O-N 3Å; T75-S82 WeakPolarHBondContact OG1-CB 3.27Å; T75-S82 PolarHBondContact OG1-OG 2.91Å
76	K	56	Low	71.7	Confident	200 Å²	200	90.5 Å²	90.5	87%	0.87	50%	0.501	S	S	*	.			trans	-46	142.8	-172.9	-73	-177.1	177.5	179.1	0	113.6	G78	K76-G78 PolarHBondContact O-N 2.76Å; K76-G78 VanDerWaalsContact O-N 3.15Å
77	M	47.4	Very low	71.7	Confident	209 Å²	209	97 Å²	97	100%	1.03	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-30.2	108	173.5	-119.1	154.8	175.1	0	0	112.9
78	G	51.1	Low	71.7	Confident	77 Å²	77	95.3 Å²	95.3	79%	0.794	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.7	-28.1	170.6	0	0	0	0	0	116.6	K76	K76-G78 PolarHBondContact O-N 2.76Å; K76-G78 VanDerWaalsContact O-N 3.15Å
79	Q	48.7	Very low	71.9	Confident	151 Å²	151	89.1 Å²	89.1	71%	0.706	50%	0.495	S	S	*	.			trans	-97.7	103	178	-76.7	-174	-19.9	0	0	111.5	G81	Q79-G81 PolarHBondContact O-N 2.86Å
80	K	42.6	Very low	72.3	Confident	224 Å²	224	90.3 Å²	90.3	97%	0.974	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	100	165.5	-80.8	-179.5	174.4	178.6	0	108.6
81	G	50.5	Low	72.7	Confident	67 Å²	67	88.9 Å²	88.9	69%	0.691	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.9	-2.4	175.7	0	0	0	0	0	116.4	Q79 S83	Q79-G81 PolarHBondContact O-N 2.86Å; G81-S83 PolarHBondContact O-N 2.71Å
82	S	52.8	Low	73.1	Confident	27 Å²	27	85.6 Å²	85.6	19%	0.189	48%	0.48	C	S	.	.			trans	-89.1	93.7	177.1	-162	0	0	0	0	111.1	T75 G84	T75-S82 WeakPolarHBondContact OG1-CB 3.27Å; T75-S82 PolarHBondContact OG1-OG 2.91Å; S82-G84 PolarHBondContact O-N 2.93Å
83	S	62.7	Low	73.7	Confident	72 Å²	72	82.6 Å²	82.6	50%	0.503	45%	0.449	S	S	.	.			trans	-66.7	122.4	170.7	-174	0	0	0	0	108.9	G81	G81-S83 PolarHBondContact O-N 2.71Å
84	G	76.8	Confident	74.4	Confident	7 Å²	7	79.9 Å²	79.9	7%	0.072	43%	0.434	C	S	.	.			trans	-71.2	-117.2	173.4	0	0	0	0	0	111	D70 S82	D70-G84 WeakPolarHBondContact OD1-CA 3.37Å; S82-G84 PolarHBondContact O-N 2.93Å
85	L	86.9	Confident	75.2	Confident	28 Å²	28	72.9 Å²	72.9	15%	0.147	41%	0.408	C	S	.	.	S	Bend	trans	-90.5	122.1	169.9	-170.8	70.5	0	0	0	109.4	Y17 T19 F24 L66 L69 D70	Y17-L85 HydrophobicContact CD1-CD2 4.04Å; Y17-L85 HydrophobicContact CD1-CG 4.06Å; Y17-L85 HydrophobicContact CG-CD1 4.44Å; Y17-L85 HydrophobicContact CG-CD2 4.32Å; Y17-L85 HydrophobicContact CG-CG 4.35Å; T19-L85 HydrophobicContact CG2-CD1 3.42Å; T19-L85 VanDerWaalsContact CG2-CD1 3.42Å; F24-L85 HydrophobicContact CD2-CD1 4.11Å; L66-L85 HydrophobicContact CB-CD2 4.04Å; L66-L85 HydrophobicContact CD2-CD2 3.71Å; L66-L85 HydrophobicContact CG-CD2 4.48Å; L66-L85 WeakPolarHBondContact O-CD2 3.48Å; L69-L85 HydrophobicContact CB-CD2 4.3Å; D70-L85 HydrophobicContact CB-CB 3.69Å; D70-L85 PolarHBondContact OD1-N 3.39Å
86	S	88.5	Confident	76.7	Confident	36 Å²	36	69.4 Å²	69.4	25%	0.252	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.5	176.3	61.6	0	0	0	0	110.8	Y17 E18	Y17-S86 CarbonylContact C-O 3.5Å; Y17-S86 VanDerWaalsContact CA-O 3.24Å; Y17-S86 WeakPolarHBondContact CA-O 3.39Å; E18-S86 PolarHBondContact N-O 2.88Å; E18-S86 PolarHBondContact O-N 3.15Å; E18-S86 PolarHBondContact O-OG 2.83Å
87	R	91.7	Very high	78.6	Confident	158 Å²	158	60.4 Å²	60.4	60%	0.596	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.6	173.1	-176.3	178.7	178.5	-173.9	1	108.1	V15 Y17 S90	V15-R87 HydrophobicContact CG1-CG 3.66Å; V15-R87 VanDerWaalsContact CG1-NE 3.34Å; Y17-R87 HydrophobicContact CD1-CB 4.08Å; Y17-R87 HydrophobicContact CD1-CG 4.48Å; Y17-R87 HydrophobicContact CE1-CB 3.99Å; Y17-R87 HydrophobicContact CE1-CG 4.19Å; R87-S90 PolarHBondContact NH2-OG 3.34Å
88	A	89.3	Confident	80.9	Confident	42 Å²	42	50.5 Å²	50.5	35%	0.347	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-60.5	-177	0	0	0	0	0	111.6	L16 E18	L16-A88 HydrophobicContact CD2-CB 4.23Å; L16-A88 HydrophobicContact CG-CB 4.37Å; L16-A88 PolarHBondContact O-N 3.43Å; E18-A88 HydrophobicContact CB-CB 4.17Å
89	V	95.1	Very high	82.9	Confident	33 Å²	33	49.7 Å²	49.7	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.6	-171.4	172.9	0	0	0	0	111.1	L16 L108 T110 I132	L16-V89 HydrophobicContact CB-CB 4.49Å; L16-V89 PolarHBondContact N-O 3.3Å; L16-V89 PolarHBondContact O-N 3Å; V89-L108 HydrophobicContact CG1-CD1 4.42Å; V89-T110 HydrophobicContact CG1-CG2 3.77Å; V89-I132 HydrophobicContact CB-CD1 4.16Å; V89-I132 HydrophobicContact CG2-CD1 3.71Å
90	S	95.8	Very high	85	Confident	60 Å²	60	42.5 Å²	42.5	42%	0.42	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.2	165.8	-149.3	0	0	0	0	109	M14 R87	M14-S90 WeakPolarHBondContact O-CA 3.28Å; R87-S90 PolarHBondContact NH2-OG 3.34Å
91	A	96.8	Very high	87.4	Confident	3 Å²	3	32 Å²	32	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.4	-175.9	0	0	0	0	0	112	M14 L108 I109	M14-A91 HydrophobicContact CB-CB 4.21Å; M14-A91 PolarHBondContact N-O 3.42Å; M14-A91 PolarHBondContact O-N 2.8Å; A91-L108 HydrophobicContact CB-CB 3.94Å; A91-L108 HydrophobicContact CB-CD1 4.27Å; A91-L108 HydrophobicContact CB-CD2 4.42Å; A91-L108 HydrophobicContact CB-CG 4.45Å; A91-I109 CarbonylContact C-O 3.49Å; A91-I109 WeakPolarHBondContact CA-O 3.39Å; A91-I109 VanDerWaalsContact CB-O 3.3Å; A91-I109 WeakPolarHBondContact CB-O 3.13Å
92	F	95.1	Very high	89.4	Confident	59 Å²	59	29.1 Å²	29.1	26%	0.259	16%	0.161	S	C	.	.	S	Bend	trans	-110.5	-9.3	178	-69.6	-75.4	0	0	0	112.7	I109 T110 R112 Y166	F92-I109 HydrophobicContact CB-CG2 4.41Å; F92-I109 PolarHBondContact N-O 2.86Å; F92-T110 WeakPolarHBondContact CD2-O 3.18Å; F92-T110 VanDerWaalsContact CE2-O 3.22Å; F92-T110 WeakPolarHBondContact CE2-O 3.41Å; F92-R112 HydrophobicContact CB-CG 4.49Å; F92-R112 HydrophobicContact CD1-CG 4.36Å; F92-R112 VanDerWaalsContact CD1-NE 3.32Å; F92-R112 HydrophobicContact CD2-CG 4.17Å; F92-R112 HydrophobicContact CG-CG 4.09Å; F92-Y166 PolarHBondContact O-OH 3.32Å
93	G	95.1	Very high	91.2	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	163.4	178.4	0	0	0	0	0	112.6	M14 I109	M14-G93 VanDerWaalsContact SD-CA 3.53Å; G93-I109 PolarHBondContact O-N 3.14Å
94	I	96	Very high	92.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.3	174.4	-59.2	167.1	0	0	0	107.9	M14 L25 F97 I106 L108 L239 W250	M14-I94 HydrophobicContact CE-CD1 3.66Å; M14-I94 HydrophobicContact CE-CG1 3.57Å; M14-I94 HydrophobicContact SD-CG1 4.03Å; L25-I94 HydrophobicContact CD2-CD1 3.57Å; L25-I94 HydrophobicContact CD2-CG1 4.02Å; I94-F97 HydrophobicContact CG2-CE2 4.05Å; I94-I106 HydrophobicContact CG2-CG1 4.45Å; I94-L108 HydrophobicContact CB-CD2 4.43Å; I94-L108 HydrophobicContact CG1-CD2 3.81Å; I94-L239 HydrophobicContact CG2-CD2 4.41Å; I94-W250 HydrophobicContact CD1-CE3 4.1Å
95	V	96.3	Very high	93.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-45.7	168.9	175.8	0	0	0	0	109.1	V107 I109 L158 N235 L238 I254 F598	V95-V107 HydrophobicContact CB-CB 3.97Å; V95-V107 HydrophobicContact CB-CG1 3.79Å; V95-V107 HydrophobicContact CG1-CG1 4.25Å; V95-V107 HydrophobicContact CG2-CG1 4.01Å; V95-V107 PolarHBondContact N-O 2.75Å; V95-I109 HydrophobicContact CG2-CD1 4.06Å; V95-I109 HydrophobicContact CG2-CG1 3.59Å; V95-L158 HydrophobicContact CG1-CD1 4.46Å; V95-L158 HydrophobicContact CG2-CD1 4.48Å; V95-N235 HydrophobicContact CG1-CB 4.09Å; V95-N235 VanDerWaalsContact O-CB 3.3Å; V95-N235 WeakPolarHBondContact O-CB 3.43Å; V95-N235 PolarHBondContact O-ND2 2.8Å; V95-L238 HydrophobicContact CG1-CD1 4.17Å; V95-I254 HydrophobicContact CG1-CD1 4.07Å; V95-F598 HydrophobicContact CG1-CE2 4.39Å; V95-F598 HydrophobicContact CG1-CZ 4.28Å
96	G	95.8	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-167	171.6	0	0	0	0	0	112.9	V107	G96-V107 PolarHBondContact O-N 2.83Å
97	F	95.8	Very high	94.5	Very high	10 Å²	10	22.4 Å²	22.4	4%	0.044	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.9	-179.5	-64.4	-93.8	0	0	0	109.5	I40 L48 I50 I94 Y104 Y105 I106 I134 L238 I242	I40-F97 HydrophobicContact CD1-CE1 4.1Å; I40-F97 HydrophobicContact CD1-CZ 4.19Å; L48-F97 HydrophobicContact CD1-CD1 3.84Å; L48-F97 HydrophobicContact CD1-CE1 4.16Å; L48-F97 HydrophobicContact CD2-CB 3.78Å; L48-F97 HydrophobicContact CD2-CD1 3.85Å; L48-F97 HydrophobicContact CD2-CD2 4.38Å; L48-F97 HydrophobicContact CD2-CG 3.73Å; I50-F97 HydrophobicContact CD1-CD1 4.41Å; I50-F97 HydrophobicContact CD1-CD2 4.44Å; I50-F97 HydrophobicContact CD1-CE1 3.9Å; I50-F97 HydrophobicContact CD1-CE2 3.97Å; I50-F97 HydrophobicContact CD1-CZ 3.66Å; I94-F97 HydrophobicContact CG2-CE2 4.05Å; F97-Y104 HydrophobicContact CB-CD1 4.46Å; F97-Y105 WeakPolarHBondContact CA-O 3.41Å; F97-I106 HydrophobicContact CD1-CB 4.08Å; F97-I106 HydrophobicContact CD1-CG1 4.25Å; F97-I106 HydrophobicContact CE1-CB 3.78Å; F97-I106 HydrophobicContact CE1-CD1 3.71Å; F97-I106 HydrophobicContact CE1-CG1 3.7Å; F97-I106 HydrophobicContact CZ-CB 4.48Å; F97-I106 HydrophobicContact CZ-CD1 3.63Å; F97-I106 HydrophobicContact CZ-CG1 3.9Å; F97-I134 HydrophobicContact CD1-CD1 3.68Å; F97-I134 HydrophobicContact CE1-CD1 3.79Å; F97-L238 PolarHBondContact N-O 2.88Å; F97-I242 HydrophobicContact CD2-CD1 4.02Å; F97-I242 HydrophobicContact CD2-CG1 4.37Å; F97-I242 HydrophobicContact CD2-CG2 3.84Å; F97-I242 HydrophobicContact CE2-CD1 3.69Å; F97-I242 HydrophobicContact CE2-CG1 4.45Å; F97-I242 HydrophobicContact CE2-CG2 4Å
98	V	95.4	Very high	94.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139	179.1	62.3	0	0	0	0	109.6	F100 Y104 Y105 V107 F153 L238	V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 4.27Å; V98-F100 HydrophobicContact CG1-CZ 3.88Å; V98-F100 HydrophobicContact CG2-CD1 4.17Å; V98-F100 HydrophobicContact CG2-CE1 3.53Å; V98-F100 HydrophobicContact CG2-CZ 3.81Å; V98-Y104 CarbonylContact O-C 3.18Å; V98-Y104 WeakPolarHBondContact O-CA 3.33Å; V98-Y105 PolarHBondContact N-O 2.94Å; V98-Y105 PolarHBondContact O-N 3.32Å; V98-V107 HydrophobicContact CG1-CG2 4.32Å; V98-F153 HydrophobicContact CB-CE2 4.25Å; V98-F153 HydrophobicContact CB-CZ 4.47Å; V98-F153 HydrophobicContact CG1-CE1 4.49Å; V98-F153 HydrophobicContact CG1-CE2 4.23Å; V98-F153 HydrophobicContact CG1-CZ 4.13Å; V98-F153 HydrophobicContact CG2-CD2 4.28Å; V98-F153 HydrophobicContact CG2-CE2 4.01Å; V98-L238 HydrophobicContact CB-CD2 4.13Å; V98-L238 HydrophobicContact CG2-CD2 4.44Å
99	R	93.8	Very high	95.1	Very high	61 Å²	61	12.9 Å²	12.9	23%	0.23	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	172.5	168.3	171.7	168.6	170.5	-4.1	109.9	K46 Y104	K46-R99 PolarHBondContact O-NH1 2.89Å; R99-Y104 HydrophobicContact CB-CD1 3.61Å; R99-Y104 HydrophobicContact CB-CD2 4.29Å; R99-Y104 HydrophobicContact CB-CE1 3.45Å; R99-Y104 VanDerWaalsContact CB-CE1 3.45Å; R99-Y104 HydrophobicContact CB-CE2 4.17Å; R99-Y104 HydrophobicContact CB-CG 4.01Å; R99-Y104 HydrophobicContact CG-CE1 4.49Å; R99-Y104 HydrophobicContact CG-CE2 4.43Å
100	F	93.4	Very high	95.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.			trans	-108.4	-126.9	169.3	-52.5	-52.8	0	0	0	109.1	V98 G103 Y105 M131 E146 Y149 V150 F153 L597 P604	V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 4.27Å; V98-F100 HydrophobicContact CG1-CZ 3.88Å; V98-F100 HydrophobicContact CG2-CD1 4.17Å; V98-F100 HydrophobicContact CG2-CE1 3.53Å; V98-F100 HydrophobicContact CG2-CZ 3.81Å; F100-G103 PolarHBondContact N-O 2.88Å; F100-Y105 AromaticContact CD2-CD2 3.75Å; F100-Y105 HydrophobicContact CD2-CD2 3.75Å; F100-Y105 AromaticContact CD2-CE2 3.47Å; F100-Y105 HydrophobicContact CD2-CE2 3.47Å; F100-Y105 VanDerWaalsContact CD2-CE2 3.47Å; F100-Y105 AromaticContact CE2-CD2 3.77Å; F100-Y105 HydrophobicContact CE2-CD2 3.77Å; F100-Y105 AromaticContact CE2-CE2 3.85Å; F100-Y105 HydrophobicContact CE2-CE2 3.85Å; F100-Y105 HydrophobicContact CE2-CG 4.46Å; F100-M131 HydrophobicContact CE2-CE 4.37Å; F100-M131 HydrophobicContact CE2-SD 4.39Å; F100-E146 VanDerWaalsContact CB-OE2 3.24Å; F100-E146 WeakPolarHBondContact CB-OE2 3.03Å; F100-Y149 HydrophobicContact CD1-CG 4.46Å; F100-V150 HydrophobicContact CD2-CG2 3.78Å; F100-V150 HydrophobicContact CE2-CG2 3.71Å; F100-F153 HydrophobicContact CE1-CB 4.1Å; F100-F153 HydrophobicContact CE1-CD2 4.14Å; F100-F153 HydrophobicContact CE1-CG 4.3Å; F100-F153 HydrophobicContact CZ-CB 3.65Å; F100-F153 HydrophobicContact CZ-CD1 4.41Å; F100-F153 AromaticContact CZ-CD2 3.99Å; F100-F153 HydrophobicContact CZ-CD2 3.99Å; F100-F153 AromaticContact CZ-CG 3.78Å; F100-F153 HydrophobicContact CZ-CG 3.78Å; F100-L597 HydrophobicContact CD1-CD1 4.26Å; F100-L597 HydrophobicContact CD1-CD2 4.37Å; F100-L597 HydrophobicContact CE1-CD1 4.15Å; F100-L597 HydrophobicContact CE1-CD2 3.79Å; F100-L597 HydrophobicContact CE1-CG 4.05Å; F100-P604 HydrophobicContact CD1-CG 4.3Å
101	L	92.8	Very high	95.1	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.016	7%	0.067	C	C	.	.	S	Bend	trans	-94.8	-41.5	-176.4	-60.6	176.6	0	0	0	111.8	H143 D145 E146 Y149 P604	L101-H143 HydrophobicContact CB-CB 4.01Å; L101-H143 WeakPolarHBondContact CD1-CE1 3.31Å; L101-H143 VanDerWaalsContact CD1-ND1 3.26Å; L101-H143 WeakPolarHBondContact CD1-ND1 3.22Å; L101-D145 HydrophobicContact CD1-CB 3.94Å; L101-E146 WeakPolarHBondContact CA-OE2 3.4Å; L101-E146 PolarHBondContact N-OE2 2.73Å; L101-Y149 HydrophobicContact CD1-CD2 3.97Å; L101-Y149 HydrophobicContact CD1-CE2 3.8Å; L101-Y149 HydrophobicContact CG-CD2 4.16Å; L101-Y149 HydrophobicContact CG-CE2 4.15Å; L101-P604 HydrophobicContact CD2-CB 3.82Å; L101-P604 HydrophobicContact CG-CB 4.25Å
102	E	91.3	Very high	95	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.028	7%	0.072	C	C	.	.	S	Bend	trans	-78.3	-52.5	-177.6	-61.9	-174.7	171	0	0	112.4	Y133 R140 V141 S142 H143 E146	E102-Y133 HydrophobicContact CB-CE2 4.45Å; E102-R140 IonicContact OE1-NH2 3.68Å; E102-R140 IonicContact OE2-CZ 2.64Å; E102-R140 IonicContact OE2-NE 3.71Å; E102-R140 PolarHBondContact OE2-NE 2.58Å; E102-R140 IonicContact OE2-NH2 3.31Å; E102-R140 PolarHBondContact OE2-NH2 3.13Å; E102-V141 VanDerWaalsContact CG-O 3.24Å; E102-V141 WeakPolarHBondContact CG-O 3.43Å; E102-S142 WeakPolarHBondContact OE1-CA 3.35Å; E102-S142 PolarHBondContact OE1-OG 3.39Å; E102-S142 VanDerWaalsContact OE1-OG 3.09Å; E102-H143 HydrophobicContact CG-CB 3.86Å; E102-H143 PolarHBondContact OE1-N 2.86Å; E102-E146 HydrophobicContact CB-CG 4.11Å; E102-E146 VanDerWaalsContact CD-CG 3.47Å; E102-E146 HydrophobicContact CG-CB 3.68Å; E102-E146 HydrophobicContact CG-CG 3.57Å; E102-E146 PolarHBondContact N-OE2 3.09Å
103	G	91.6	Very high	94.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.08	C	C	.	.			trans	-172.4	-167.5	-174.2	0	0	0	0	0	114.2	F100	F100-G103 PolarHBondContact N-O 2.88Å
104	Y	94.8	Very high	94.5	Very high	8 Å²	8	20.8 Å²	20.8	3%	0.031	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	146.9	179.6	-76.4	-90	0	0	0	113	K46 L48 F97 V98 R99 I134 P135 R241	K46-Y104 WeakPolarHBondContact O-CE2 3.18Å; L48-Y104 HydrophobicContact CB-CD1 4.17Å; L48-Y104 HydrophobicContact CB-CD2 3.84Å; L48-Y104 HydrophobicContact CB-CE1 4.08Å; L48-Y104 HydrophobicContact CB-CE2 3.69Å; L48-Y104 HydrophobicContact CB-CG 4.08Å; L48-Y104 HydrophobicContact CD1-CG 4.33Å; L48-Y104 HydrophobicContact CD2-CD1 4.21Å; L48-Y104 HydrophobicContact CD2-CE1 4.27Å; F97-Y104 HydrophobicContact CB-CD1 4.46Å; V98-Y104 CarbonylContact O-C 3.18Å; V98-Y104 WeakPolarHBondContact O-CA 3.33Å; R99-Y104 HydrophobicContact CB-CD1 3.61Å; R99-Y104 HydrophobicContact CB-CD2 4.29Å; R99-Y104 HydrophobicContact CB-CE1 3.45Å; R99-Y104 VanDerWaalsContact CB-CE1 3.45Å; R99-Y104 HydrophobicContact CB-CE2 4.17Å; R99-Y104 HydrophobicContact CB-CG 4.01Å; R99-Y104 HydrophobicContact CG-CE1 4.49Å; R99-Y104 HydrophobicContact CG-CE2 4.43Å; Y104-I134 WeakPolarHBondContact O-CB 3.42Å; Y104-I134 PolarHBondContact O-N 3.08Å; Y104-P135 WeakPolarHBondContact O-CD 3.34Å; Y104-R241 PolarHBondContact OH-NH1 3.01Å
105	Y	95.9	Very high	94.2	Very high	17 Å²	17	23 Å²	23	7%	0.067	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.9	167.3	-60.5	-103.9	0	0	0	109.6	F97 V98 F100 M131 I132 Y133 E146 V150	F97-Y105 WeakPolarHBondContact CA-O 3.41Å; V98-Y105 PolarHBondContact N-O 2.94Å; V98-Y105 PolarHBondContact O-N 3.32Å; F100-Y105 AromaticContact CD2-CD2 3.75Å; F100-Y105 HydrophobicContact CD2-CD2 3.75Å; F100-Y105 AromaticContact CD2-CE2 3.47Å; F100-Y105 HydrophobicContact CD2-CE2 3.47Å; F100-Y105 VanDerWaalsContact CD2-CE2 3.47Å; F100-Y105 AromaticContact CE2-CD2 3.77Å; F100-Y105 HydrophobicContact CE2-CD2 3.77Å; F100-Y105 AromaticContact CE2-CE2 3.85Å; F100-Y105 HydrophobicContact CE2-CE2 3.85Å; F100-Y105 HydrophobicContact CE2-CG 4.46Å; Y105-M131 HydrophobicContact CD1-CE 3.66Å; Y105-M131 HydrophobicContact CD1-CG 3.8Å; Y105-M131 HydrophobicContact CD1-SD 4.09Å; Y105-M131 HydrophobicContact CE1-CE 3.88Å; Y105-M131 HydrophobicContact CG-CE 4.14Å; Y105-M131 HydrophobicContact CG-CG 4.01Å; Y105-M131 HydrophobicContact CG-SD 4.08Å; Y105-I132 CarbonylContact C-O 3.58Å; Y105-I132 WeakPolarHBondContact CA-O 2.87Å; Y105-Y133 HydrophobicContact CD1-CD2 4.03Å; Y105-Y133 HydrophobicContact CD1-CG 4.49Å; Y105-Y133 HydrophobicContact CD2-CD2 4.19Å; Y105-Y133 AromaticContact CE1-CD2 3.57Å; Y105-Y133 HydrophobicContact CE1-CD2 3.57Å; Y105-Y133 HydrophobicContact CE1-CG 4.07Å; Y105-Y133 AromaticContact CE2-CD2 3.68Å; Y105-Y133 HydrophobicContact CE2-CD2 3.68Å; Y105-Y133 HydrophobicContact CE2-CE2 4.08Å; Y105-Y133 HydrophobicContact CG-CD2 4.34Å; Y105-Y133 AromaticContact CZ-CD2 3.38Å; Y105-E146 WeakPolarHBondContact CE2-OE1 3.3Å; Y105-E146 PolarHBondContact OH-OE1 3.3Å; Y105-V150 HydrophobicContact CE1-CG2 4.38Å; Y105-V150 HydrophobicContact CE2-CG2 4.38Å
106	I	96.3	Very high	93.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.7	165.8	-173	173.9	0	0	0	109	I40 I94 F97 L108 M131 I132 I134	I40-I106 HydrophobicContact CD1-CD1 4.15Å; I94-I106 HydrophobicContact CG2-CG1 4.45Å; F97-I106 HydrophobicContact CD1-CB 4.08Å; F97-I106 HydrophobicContact CD1-CG1 4.25Å; F97-I106 HydrophobicContact CE1-CB 3.78Å; F97-I106 HydrophobicContact CE1-CD1 3.71Å; F97-I106 HydrophobicContact CE1-CG1 3.7Å; F97-I106 HydrophobicContact CZ-CB 4.48Å; F97-I106 HydrophobicContact CZ-CD1 3.63Å; F97-I106 HydrophobicContact CZ-CG1 3.9Å; I106-L108 HydrophobicContact CD1-CD2 3.67Å; I106-L108 HydrophobicContact CD1-CG 4.2Å; I106-L108 HydrophobicContact CG1-CD2 3.86Å; I106-L108 HydrophobicContact CG1-CG 4.09Å; I106-M131 WeakPolarHBondContact O-CA 3.36Å; I106-I132 HydrophobicContact CG2-CB 3.82Å; I106-I132 PolarHBondContact N-O 3.15Å; I106-I132 PolarHBondContact O-N 3.34Å; I106-I134 HydrophobicContact CB-CD1 4.16Å; I106-I134 HydrophobicContact CB-CG1 4.39Å; I106-I134 HydrophobicContact CG2-CG1 4.29Å
107	V	96.9	Very high	93.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.6	176.3	-174.8	0	0	0	0	108.7	V95 G96 V98 M131 F153 L158	V95-V107 HydrophobicContact CB-CB 3.97Å; V95-V107 HydrophobicContact CB-CG1 3.79Å; V95-V107 HydrophobicContact CG1-CG1 4.25Å; V95-V107 HydrophobicContact CG2-CG1 4.01Å; V95-V107 PolarHBondContact N-O 2.75Å; G96-V107 PolarHBondContact O-N 2.83Å; V98-V107 HydrophobicContact CG1-CG2 4.32Å; V107-M131 HydrophobicContact CG2-CG 4.04Å; V107-M131 HydrophobicContact CG2-SD 4.42Å; V107-F153 HydrophobicContact CG2-CE1 3.91Å; V107-F153 HydrophobicContact CG2-CZ 4.13Å; V107-L158 HydrophobicContact CG1-CD1 3.89Å
108	L	97	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.4	-175.1	-63.9	177.8	0	0	0	111.2	L16 V89 A91 I94 I106 T129 T130 I132	L16-L108 HydrophobicContact CB-CD1 4.49Å; L16-L108 HydrophobicContact CD2-CD1 4.23Å; V89-L108 HydrophobicContact CG1-CD1 4.42Å; A91-L108 HydrophobicContact CB-CB 3.94Å; A91-L108 HydrophobicContact CB-CD1 4.27Å; A91-L108 HydrophobicContact CB-CD2 4.42Å; A91-L108 HydrophobicContact CB-CG 4.45Å; I94-L108 HydrophobicContact CB-CD2 4.43Å; I94-L108 HydrophobicContact CG1-CD2 3.81Å; I106-L108 HydrophobicContact CD1-CD2 3.67Å; I106-L108 HydrophobicContact CD1-CG 4.2Å; I106-L108 HydrophobicContact CG1-CD2 3.86Å; I106-L108 HydrophobicContact CG1-CG 4.09Å; L108-T129 CarbonylContact O-C 3.55Å; L108-T129 WeakPolarHBondContact O-CA 3.4Å; L108-T129 WeakPolarHBondContact O-CB 3.15Å; L108-T130 PolarHBondContact N-O 2.82Å; L108-T130 PolarHBondContact O-N 2.85Å; L108-I132 HydrophobicContact CD1-CD1 4.01Å
109	I	97.2	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.6	173	-56.3	178.9	0	0	0	108.7	A91 F92 G93 V95 K111 I126 T129 F164 M252	A91-I109 CarbonylContact C-O 3.49Å; A91-I109 WeakPolarHBondContact CA-O 3.39Å; A91-I109 VanDerWaalsContact CB-O 3.3Å; A91-I109 WeakPolarHBondContact CB-O 3.13Å; F92-I109 HydrophobicContact CB-CG2 4.41Å; F92-I109 PolarHBondContact N-O 2.86Å; G93-I109 PolarHBondContact O-N 3.14Å; V95-I109 HydrophobicContact CG2-CD1 4.06Å; V95-I109 HydrophobicContact CG2-CG1 3.59Å; I109-K111 WeakPolarHBondContact CG2-O 3.25Å; I109-I126 HydrophobicContact CD1-CD1 3.57Å; I109-I126 HydrophobicContact CD1-CG1 3.91Å; I109-I126 HydrophobicContact CG1-CD1 4.15Å; I109-I126 HydrophobicContact CG2-CG2 4.14Å; I109-T129 HydrophobicContact CG1-CG2 4.46Å; I109-F164 HydrophobicContact CD1-CD1 4.06Å; I109-F164 HydrophobicContact CD1-CE1 3.69Å; I109-F164 HydrophobicContact CD1-CZ 4.3Å; I109-F164 HydrophobicContact CG2-CE1 4.43Å; I109-M252 HydrophobicContact CD1-CE 3.33Å
110	T	96.2	Very high	92.5	Very high	23 Å²	23	20.9 Å²	20.9	14%	0.141	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-24.9	-177.1	53.8	0	0	0	0	113	V89 F92 D128 T130	V89-T110 HydrophobicContact CG1-CG2 3.77Å; F92-T110 WeakPolarHBondContact CD2-O 3.18Å; F92-T110 VanDerWaalsContact CE2-O 3.22Å; F92-T110 WeakPolarHBondContact CE2-O 3.41Å; T110-D128 PolarHBondContact N-O 2.88Å; T110-D128 WeakPolarHBondContact OG1-CB 3.43Å; T110-D128 PolarHBondContact OG1-O 2.99Å; T110-T130 HydrophobicContact CG2-CG2 3.49Å; T110-T130 VanDerWaalsContact CG2-CG2 3.49Å; T110-T130 VanDerWaalsContact CG2-OG1 3.25Å; T110-T130 WeakPolarHBondContact CG2-OG1 3.43Å
111	K	94.6	Very high	92.3	Very high	113 Å²	113	21 Å²	21	49%	0.491	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.2	174.2	-60.8	178.4	-173.5	156.2	0	111.4	I109 E127 D128	I109-K111 WeakPolarHBondContact CG2-O 3.25Å; K111-E127 HydrophobicContact CB-CB 3.92Å; K111-E127 PolarHBondContact O-N 3.25Å; K111-D128 HydrophobicContact CB-CB 3.69Å; K111-D128 HydrophobicContact CD-CB 3.87Å; K111-D128 HydrophobicContact CG-CB 3.85Å; K111-D128 PolarHBondContact N-O 2.71Å; K111-D128 IonicContact NZ-OD2 3.17Å; K111-D128 PolarHBondContact O-N 2.92Å
112	R	93.1	Very high	92.2	Very high	35 Å²	35	21.4 Å²	21.4	13%	0.132	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.3	177.1	66.9	-177.8	-176.7	135.6	-1.2	110.1	F92 Y124 K125 F164	F92-R112 HydrophobicContact CB-CG 4.49Å; F92-R112 HydrophobicContact CD1-CG 4.36Å; F92-R112 VanDerWaalsContact CD1-NE 3.32Å; F92-R112 HydrophobicContact CD2-CG 4.17Å; F92-R112 HydrophobicContact CG-CG 4.09Å; R112-Y124 HydrophobicContact CG-CD1 4.08Å; R112-Y124 VanDerWaalsContact NH1-CD1 3.28Å; R112-K125 CarbonylContact C-O 3.51Å; R112-K125 WeakPolarHBondContact CA-O 3.47Å; R112-F164 HydrophobicContact CB-CE1 4.39Å; R112-F164 HydrophobicContact CB-CZ 4.18Å
113	R	90.1	Very high	92.4	Very high	110 Å²	110	21.1 Å²	21.1	42%	0.415	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.3	174.5	-178.3	177.2	70.4	-144.5	13.5	110.7	Y124 K125 E127	R113-Y124 CarbonylContact O-C 3.51Å; R113-Y124 VanDerWaalsContact O-CA 3.31Å; R113-Y124 WeakPolarHBondContact O-CA 3.36Å; R113-K125 PolarHBondContact N-O 2.88Å; R113-K125 PolarHBondContact O-N 2.87Å; R113-E127 HydrophobicContact CB-CG 3.86Å; R113-E127 WeakPolarHBondContact CB-OE1 3.23Å; R113-E127 WeakPolarHBondContact CD-OE1 3.47Å; R113-E127 IonicContact CZ-OE1 3.29Å; R113-E127 IonicContact NE-OE1 3.61Å; R113-E127 IonicContact NH1-OE1 3.77Å; R113-E127 PolarHBondContact NH1-OE1 2.65Å
114	K	89.9	Confident	92.5	Very high	45 Å²	45	21.9 Å²	21.9	20%	0.196	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	174.7	-173.4	176.3	173.1	178.5	0	109.9	D117 S122 Y124 T693	K114-D117 WeakPolarHBondContact CE-OD1 3.43Å; K114-D117 WeakPolarHBondContact CE-OD2 3.27Å; K114-D117 VanDerWaalsContact NZ-CG 3.28Å; K114-D117 IonicContact NZ-OD1 3.91Å; K114-D117 PolarHBondContact NZ-OD1 2.97Å; K114-D117 VanDerWaalsContact NZ-OD1 3.09Å; K114-D117 IonicContact NZ-OD2 3.51Å; K114-D117 PolarHBondContact NZ-OD2 2.91Å; K114-S122 VanDerWaalsContact CE-OG 3.25Å; K114-S122 WeakPolarHBondContact CE-OG 3.4Å; K114-S122 PolarHBondContact NZ-OG 3.03Å; K114-Y124 HydrophobicContact CB-CD1 4.11Å; K114-Y124 HydrophobicContact CB-CE1 3.9Å; K114-Y124 HydrophobicContact CG-CE1 4.3Å; K114-T693 PolarHBondContact NZ-O 3.32Å
115	M	89.6	Confident	92.5	Very high	47 Å²	47	23.2 Å²	23.2	23%	0.232	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-36.4	-175.3	-70.7	-63	-58.5	0	0	113.4	I123 K125 Y163 C259	M115-I123 PolarHBondContact N-O 3.29Å; M115-K125 HydrophobicContact CG-CB 3.45Å; M115-K125 VanDerWaalsContact CG-CB 3.45Å; M115-K125 HydrophobicContact SD-CB 4.04Å; M115-K125 HydrophobicContact SD-CD 4.18Å; M115-Y163 HydrophobicContact CG-CD1 4.31Å; M115-Y163 HydrophobicContact CG-CE1 4.04Å; M115-C259 WeakPolarHBondContact CE-O 3.36Å
116	A	91.1	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.1	-176.9	0	0	0	0	0	111	I123 Q261 T274	A116-I123 HydrophobicContact CB-CB 4.3Å; A116-I123 HydrophobicContact CB-CD1 4.21Å; A116-I123 PolarHBondContact O-N 3.02Å; A116-Q261 HydrophobicContact CB-CB 3.82Å; A116-T274 HydrophobicContact CB-CG2 4.18Å
117	D	90.3	Very high	92.4	Very high	18 Å²	18	25.9 Å²	25.9	10%	0.096	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.8	171.3	-72	-45.4	0	0	0	111.3	K114 H121 S122 Q261 F681	K114-D117 WeakPolarHBondContact CE-OD1 3.43Å; K114-D117 WeakPolarHBondContact CE-OD2 3.27Å; K114-D117 VanDerWaalsContact NZ-CG 3.28Å; K114-D117 IonicContact NZ-OD1 3.91Å; K114-D117 PolarHBondContact NZ-OD1 2.97Å; K114-D117 VanDerWaalsContact NZ-OD1 3.09Å; K114-D117 IonicContact NZ-OD2 3.51Å; K114-D117 PolarHBondContact NZ-OD2 2.91Å; D117-H121 WeakPolarHBondContact CA-O 3.28Å; D117-S122 WeakPolarHBondContact OD1-CA 3.21Å; D117-S122 WeakPolarHBondContact OD1-CB 3.49Å; D117-S122 PolarHBondContact OD1-OG 2.58Å; D117-Q261 PolarHBondContact O-NE2 3.22Å; D117-F681 HydrophobicContact CB-CE2 4.25Å
118	I	90	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	117.6	178.7	-49	-179.2	0	0	0	107.8	G120 H121 I123 L174 T274 I276 I308 F317 Y322	I118-G120 PolarHBondContact O-N 3.11Å; I118-H121 PolarHBondContact N-O 2.95Å; I118-H121 WeakPolarHBondContact O-CA 3.44Å; I118-H121 VanDerWaalsContact O-CB 3.23Å; I118-H121 WeakPolarHBondContact O-CB 3.2Å; I118-H121 PolarHBondContact O-CD2 3.14Å; I118-H121 VanDerWaalsContact O-CD2 3.28Å; I118-H121 PolarHBondContact O-N 3.25Å; I118-I123 HydrophobicContact CD1-CD1 3.69Å; I118-I123 HydrophobicContact CG1-CD1 4.16Å; I118-L174 HydrophobicContact CG2-CD1 4.49Å; I118-T274 HydrophobicContact CD1-CG2 4.14Å; I118-I276 HydrophobicContact CD1-CD1 4.02Å; I118-I308 HydrophobicContact CD1-CD1 3.71Å; I118-F317 HydrophobicContact CG2-CE1 3.79Å; I118-F317 HydrophobicContact CG2-CZ 3.91Å; I118-Y322 HydrophobicContact CG2-CD1 4.31Å; I118-Y322 HydrophobicContact CG2-CE1 4Å
119	G	85.4	Confident	92.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	17.4	174.7	0	0	0	0	0	115.4	H121 T315 F317 Y322	G119-H121 VanDerWaalsContact C-N 3.27Å; G119-H121 PolarHBondContact O-CD2 2.89Å; G119-T315 CarbonylContact C-O 3.57Å; G119-T315 WeakPolarHBondContact CA-O 3.08Å; G119-F317 VanDerWaalsContact CA-CE1 3.5Å; G119-Y322 VanDerWaalsContact CA-OH 3.31Å; G119-Y322 WeakPolarHBondContact CA-OH 3.43Å; G119-Y322 PolarHBondContact N-OH 2.91Å
120	G	84.8	Confident	92.3	Very high	6 Å²	6	32.7 Å²	32.7	6%	0.062	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-1	-167.7	0	0	0	0	0	114	I118 T315 F681	I118-G120 PolarHBondContact O-N 3.11Å; G120-T315 PolarHBondContact N-O 2.84Å; G120-F681 WeakPolarHBondContact O-CD2 3.44Å
121	H	89.6	Confident	92.3	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.2	174.3	-54.5	-90.3	0	0	0	110.9	D117 I118 G119 S167 Y168 F317	D117-H121 WeakPolarHBondContact CA-O 3.28Å; I118-H121 PolarHBondContact N-O 2.95Å; I118-H121 WeakPolarHBondContact O-CA 3.44Å; I118-H121 VanDerWaalsContact O-CB 3.23Å; I118-H121 WeakPolarHBondContact O-CB 3.2Å; I118-H121 PolarHBondContact O-CD2 3.14Å; I118-H121 VanDerWaalsContact O-CD2 3.28Å; I118-H121 PolarHBondContact O-N 3.25Å; G119-H121 VanDerWaalsContact C-N 3.27Å; G119-H121 PolarHBondContact O-CD2 2.89Å; H121-S167 PolarHBondContact CE1-O 2.74Å; H121-S167 VanDerWaalsContact CE1-O 3.28Å; H121-S167 VanDerWaalsContact ND1-C 3.35Å; H121-S167 WeakPolarHBondContact ND1-CB 3.24Å; H121-S167 PolarHBondContact ND1-O 2.98Å; H121-S167 VanDerWaalsContact ND1-O 3.09Å; H121-S167 PolarHBondContact ND1-OG 2.74Å; H121-Y168 HydrophobicContact CB-CG 4.34Å; H121-F317 AromaticContact CD2-CD2 3.91Å; H121-F317 AromaticContact CD2-CE2 3.17Å; H121-F317 WeakPolarHBondContact CD2-CE2 3.44Å; H121-F317 AromaticContact CD2-CZ 3.8Å; H121-F317 AromaticContact NE2-CD2 3.67Å; H121-F317 AromaticContact NE2-CE2 3.28Å; H121-F317 VanDerWaalsContact NE2-CE2 3.28Å; H121-F317 WeakPolarHBondContact NE2-CE2 3.5Å
122	S	91.3	Very high	92.3	Very high	11 Å²	11	29.6 Å²	29.6	8%	0.077	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.8	176.5	-63.5	0	0	0	0	111.7	K114 D117 Y124 S165	K114-S122 VanDerWaalsContact CE-OG 3.25Å; K114-S122 WeakPolarHBondContact CE-OG 3.4Å; K114-S122 PolarHBondContact NZ-OG 3.03Å; D117-S122 WeakPolarHBondContact OD1-CA 3.21Å; D117-S122 WeakPolarHBondContact OD1-CB 3.49Å; D117-S122 PolarHBondContact OD1-OG 2.58Å; S122-Y124 VanDerWaalsContact CB-CE2 3.45Å; S122-Y124 WeakPolarHBondContact O-CE2 3.17Å; S122-S165 VanDerWaalsContact O-CB 3.28Å; S122-S165 WeakPolarHBondContact O-CB 3.32Å; S122-S165 PolarHBondContact O-OG 3.11Å
123	I	94.3	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	175	-57.5	176.1	0	0	0	108.3	M115 A116 I118 L170 I276	M115-I123 PolarHBondContact N-O 3.29Å; A116-I123 HydrophobicContact CB-CB 4.3Å; A116-I123 HydrophobicContact CB-CD1 4.21Å; A116-I123 PolarHBondContact O-N 3.02Å; I118-I123 HydrophobicContact CD1-CD1 3.69Å; I118-I123 HydrophobicContact CG1-CD1 4.16Å; I123-L170 HydrophobicContact CD1-CD2 3.63Å; I123-L170 HydrophobicContact CG1-CD2 3.93Å; I123-L170 HydrophobicContact CG2-CD1 3.88Å; I123-L170 HydrophobicContact CG2-CD2 4.23Å; I123-I276 HydrophobicContact CD1-CD1 3.97Å
124	Y	94	Very high	92.6	Very high	17 Å²	17	24.5 Å²	24.5	7%	0.067	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.9	-175.8	-62.8	-88.1	0	0	0	111.1	R112 R113 K114 S122 Y163 F164 Y166	R112-Y124 HydrophobicContact CG-CD1 4.08Å; R112-Y124 VanDerWaalsContact NH1-CD1 3.28Å; R113-Y124 CarbonylContact O-C 3.51Å; R113-Y124 VanDerWaalsContact O-CA 3.31Å; R113-Y124 WeakPolarHBondContact O-CA 3.36Å; K114-Y124 HydrophobicContact CB-CD1 4.11Å; K114-Y124 HydrophobicContact CB-CE1 3.9Å; K114-Y124 HydrophobicContact CG-CE1 4.3Å; S122-Y124 VanDerWaalsContact CB-CE2 3.45Å; S122-Y124 WeakPolarHBondContact O-CE2 3.17Å; Y124-Y163 CarbonylContact O-C 3.52Å; Y124-Y163 WeakPolarHBondContact O-CA 3.44Å; Y124-F164 HydrophobicContact CD2-CE2 4.46Å; Y124-F164 PolarHBondContact N-O 3.09Å; Y124-F164 PolarHBondContact O-N 2.8Å; Y124-Y166 HydrophobicContact CE2-CD2 4.49Å
125	K	95.1	Very high	92.8	Very high	35 Å²	35	22.5 Å²	22.5	15%	0.152	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.1	166.1	175	176.5	176.8	172.5	0	109.6	R112 R113 M115 S159 S160 F162 Y163	R112-K125 CarbonylContact C-O 3.51Å; R112-K125 WeakPolarHBondContact CA-O 3.47Å; R113-K125 PolarHBondContact N-O 2.88Å; R113-K125 PolarHBondContact O-N 2.87Å; M115-K125 HydrophobicContact CG-CB 3.45Å; M115-K125 VanDerWaalsContact CG-CB 3.45Å; M115-K125 HydrophobicContact SD-CB 4.04Å; M115-K125 HydrophobicContact SD-CD 4.18Å; K125-S159 WeakPolarHBondContact CE-O 3.16Å; K125-S160 WeakPolarHBondContact CE-O 3.27Å; K125-S160 PolarHBondContact NZ-O 2.94Å; K125-F162 WeakPolarHBondContact CA-O 3.25Å; K125-Y163 HydrophobicContact CB-CD1 3.81Å; K125-Y163 HydrophobicContact CB-CE1 3.75Å; K125-Y163 HydrophobicContact CD-CE1 4.17Å; K125-Y163 HydrophobicContact CG-CD1 4.36Å; K125-Y163 HydrophobicContact CG-CE1 4.02Å
126	I	96.4	Very high	92.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	127	170	-56.2	-173.6	0	0	0	108.6	I109 T129 L158 S159 F162 F164 I254	I109-I126 HydrophobicContact CD1-CD1 3.57Å; I109-I126 HydrophobicContact CD1-CG1 3.91Å; I109-I126 HydrophobicContact CG1-CD1 4.15Å; I109-I126 HydrophobicContact CG2-CG2 4.14Å; I126-T129 HydrophobicContact CG2-CG2 3.5Å; I126-T129 VanDerWaalsContact CG2-CG2 3.5Å; I126-L158 WeakPolarHBondContact CB-O 3.36Å; I126-L158 WeakPolarHBondContact CG2-O 3.44Å; I126-S159 CarbonylContact O-C 3.42Å; I126-S159 WeakPolarHBondContact O-CA 3.5Å; I126-F162 HydrophobicContact CB-CB 4.42Å; I126-F162 HydrophobicContact CD1-CB 3.67Å; I126-F162 HydrophobicContact CG1-CB 4.08Å; I126-F162 PolarHBondContact N-O 2.82Å; I126-F164 HydrophobicContact CD1-CD1 4.41Å; I126-F164 HydrophobicContact CG1-CD1 3.9Å; I126-F164 HydrophobicContact CG1-CE1 3.89Å; I126-I254 HydrophobicContact CD1-CD1 4.4Å; I126-I254 HydrophobicContact CD1-CG2 4.27Å
127	E	94.6	Very high	92.6	Very high	75 Å²	75	27 Å²	27	35%	0.35	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-28.9	175.6	-73.1	-159.4	151	0	0	113.1	K111 R113 S159	K111-E127 HydrophobicContact CB-CB 3.92Å; K111-E127 PolarHBondContact O-N 3.25Å; R113-E127 HydrophobicContact CB-CG 3.86Å; R113-E127 WeakPolarHBondContact CB-OE1 3.23Å; R113-E127 WeakPolarHBondContact CD-OE1 3.47Å; R113-E127 IonicContact CZ-OE1 3.29Å; R113-E127 IonicContact NE-OE1 3.61Å; R113-E127 IonicContact NH1-OE1 3.77Å; R113-E127 PolarHBondContact NH1-OE1 2.65Å; E127-S159 WeakPolarHBondContact O-CB 3.45Å
128	D	95.9	Very high	92.4	Very high	62 Å²	62	31.3 Å²	31.3	33%	0.332	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	145.2	-177.7	-161	-1.2	0	0	0	110.1	T110 K111	T110-D128 PolarHBondContact N-O 2.88Å; T110-D128 WeakPolarHBondContact OG1-CB 3.43Å; T110-D128 PolarHBondContact OG1-O 2.99Å; K111-D128 HydrophobicContact CB-CB 3.69Å; K111-D128 HydrophobicContact CD-CB 3.87Å; K111-D128 HydrophobicContact CG-CB 3.85Å; K111-D128 PolarHBondContact N-O 2.71Å; K111-D128 IonicContact NZ-OD2 3.17Å; K111-D128 PolarHBondContact O-N 2.92Å
129	T	96.4	Very high	92.3	Very high	41 Å²	41	33.5 Å²	33.5	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.5	-178.2	59.2	0	0	0	0	110.5	L108 I109 I126 L158	L108-T129 CarbonylContact O-C 3.55Å; L108-T129 WeakPolarHBondContact O-CA 3.4Å; L108-T129 WeakPolarHBondContact O-CB 3.15Å; I109-T129 HydrophobicContact CG1-CG2 4.46Å; I126-T129 HydrophobicContact CG2-CG2 3.5Å; I126-T129 VanDerWaalsContact CG2-CG2 3.5Å; T129-L158 HydrophobicContact CG2-CB 3.76Å; T129-L158 HydrophobicContact CG2-CD1 3.95Å
130	T	95.7	Very high	92.4	Very high	43 Å²	43	38.2 Å²	38.2	26%	0.264	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	174.8	55.3	0	0	0	0	110.2	L108 T110	L108-T130 PolarHBondContact N-O 2.82Å; L108-T130 PolarHBondContact O-N 2.85Å; T110-T130 HydrophobicContact CG2-CG2 3.49Å; T110-T130 VanDerWaalsContact CG2-CG2 3.49Å; T110-T130 VanDerWaalsContact CG2-OG1 3.25Å; T110-T130 WeakPolarHBondContact CG2-OG1 3.43Å
131	M	95.9	Very high	92.4	Very high	46 Å²	46	42 Å²	42	23%	0.227	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	173.5	-171.6	175.2	79.9	0	0	109.4	F100 Y105 I106 V107 V150 F153	F100-M131 HydrophobicContact CE2-CE 4.37Å; F100-M131 HydrophobicContact CE2-SD 4.39Å; Y105-M131 HydrophobicContact CD1-CE 3.66Å; Y105-M131 HydrophobicContact CD1-CG 3.8Å; Y105-M131 HydrophobicContact CD1-SD 4.09Å; Y105-M131 HydrophobicContact CE1-CE 3.88Å; Y105-M131 HydrophobicContact CG-CE 4.14Å; Y105-M131 HydrophobicContact CG-CG 4.01Å; Y105-M131 HydrophobicContact CG-SD 4.08Å; I106-M131 WeakPolarHBondContact O-CA 3.36Å; V107-M131 HydrophobicContact CG2-CG 4.04Å; V107-M131 HydrophobicContact CG2-SD 4.42Å; M131-V150 HydrophobicContact CE-CB 4.23Å; M131-V150 HydrophobicContact CE-CG1 3.52Å; M131-V150 HydrophobicContact CE-CG2 4Å; M131-F153 HydrophobicContact SD-CD1 4.03Å; M131-F153 HydrophobicContact SD-CE1 4.26Å
132	I	95.4	Very high	92.3	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.128	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.6	-174.5	-57.1	172.2	0	0	0	109	L16 V89 Y105 I106 L108	L16-I132 HydrophobicContact CD2-CD1 3.44Å; L16-I132 VanDerWaalsContact CD2-CD1 3.44Å; V89-I132 HydrophobicContact CB-CD1 4.16Å; V89-I132 HydrophobicContact CG2-CD1 3.71Å; Y105-I132 CarbonylContact C-O 3.58Å; Y105-I132 WeakPolarHBondContact CA-O 2.87Å; I106-I132 HydrophobicContact CG2-CB 3.82Å; I106-I132 PolarHBondContact N-O 3.15Å; I106-I132 PolarHBondContact O-N 3.34Å; L108-I132 HydrophobicContact CD1-CD1 4.01Å
133	Y	95.3	Very high	92.3	Very high	31 Å²	31	48 Å²	48	12%	0.122	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.7	174.6	-173.1	-115.8	0	0	0	110.5	Y23 E102 Y105 P135 R140	Y23-Y133 PolarHBondContact OH-O 3.44Å; E102-Y133 HydrophobicContact CB-CE2 4.45Å; Y105-Y133 HydrophobicContact CD1-CD2 4.03Å; Y105-Y133 HydrophobicContact CD1-CG 4.49Å; Y105-Y133 HydrophobicContact CD2-CD2 4.19Å; Y105-Y133 AromaticContact CE1-CD2 3.57Å; Y105-Y133 HydrophobicContact CE1-CD2 3.57Å; Y105-Y133 HydrophobicContact CE1-CG 4.07Å; Y105-Y133 AromaticContact CE2-CD2 3.68Å; Y105-Y133 HydrophobicContact CE2-CD2 3.68Å; Y105-Y133 HydrophobicContact CE2-CE2 4.08Å; Y105-Y133 HydrophobicContact CG-CD2 4.34Å; Y105-Y133 AromaticContact CZ-CD2 3.38Å; Y133-P135 WeakPolarHBondContact CD1-O 2.8Å; Y133-P135 HydrophobicContact CE1-CB 3.76Å; Y133-P135 HydrophobicContact CE1-CG 4.03Å; Y133-P135 VanDerWaalsContact CE1-O 3.24Å; Y133-P135 WeakPolarHBondContact CE1-O 3.47Å; Y133-P135 HydrophobicContact CE2-CG 4.16Å; Y133-R140 HydrophobicContact CE1-CB 4.45Å; Y133-R140 HydrophobicContact CE1-CG 4.09Å
134	I	94.8	Very high	92.2	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	30%	0.297	C	S	.	.			trans	-82.7	-57.2	-173.2	-62.4	175.2	0	0	0	111.9	Y23 I40 D41 R42 L48 F97 Y104 I106	Y23-I134 HydrophobicContact CD2-CG2 4.43Å; Y23-I134 WeakPolarHBondContact CE2-O 3.47Å; I40-I134 HydrophobicContact CG2-CD1 4.24Å; I40-I134 HydrophobicContact CG2-CG2 3.72Å; D41-I134 VanDerWaalsContact O-CG2 3.32Å; D41-I134 WeakPolarHBondContact O-CG2 3.34Å; R42-I134 WeakPolarHBondContact CB-O 3.36Å; R42-I134 VanDerWaalsContact CG-O 3.27Å; R42-I134 WeakPolarHBondContact CG-O 3.25Å; R42-I134 PolarHBondContact NE-O 3.44Å; R42-I134 VanDerWaalsContact NE-O 3.11Å; L48-I134 HydrophobicContact CD1-CD1 3.78Å; F97-I134 HydrophobicContact CD1-CD1 3.68Å; F97-I134 HydrophobicContact CE1-CD1 3.79Å; Y104-I134 WeakPolarHBondContact O-CB 3.42Å; Y104-I134 PolarHBondContact O-N 3.08Å; I106-I134 HydrophobicContact CB-CD1 4.16Å; I106-I134 HydrophobicContact CB-CG1 4.39Å; I106-I134 HydrophobicContact CG2-CG1 4.29Å
135	P	93.4	Very high	92.1	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.026	31%	0.305	C	S	.	.	S	Bend	trans	-59.2	149	-176.3	-23.1	34	0	0	0	113	P45 Y104 Y133 V139	P45-P135 WeakPolarHBondContact O-CG 3.38Å; Y104-P135 WeakPolarHBondContact O-CD 3.34Å; Y133-P135 WeakPolarHBondContact CD1-O 2.8Å; Y133-P135 HydrophobicContact CE1-CB 3.76Å; Y133-P135 HydrophobicContact CE1-CG 4.03Å; Y133-P135 VanDerWaalsContact CE1-O 3.24Å; Y133-P135 WeakPolarHBondContact CE1-O 3.47Å; Y133-P135 HydrophobicContact CE2-CG 4.16Å; P135-V139 HydrophobicContact CB-CG2 4.09Å
136	N	89.4	Confident	92.1	Very high	16 Å²	16	53 Å²	53	9%	0.086	30%	0.298	C	S	.	.			trans	-68.3	147	174.5	-64.1	-39.5	0	0	0	111.3	R20 R42 S138 V139 R140	R20-N136 PolarHBondContact O-ND2 3.44Å; R20-N136 PolarHBondContact O-OD1 3.01Å; R20-N136 VanDerWaalsContact O-OD1 3.07Å; R42-N136 WeakPolarHBondContact CB-OD1 3.5Å; R42-N136 WeakPolarHBondContact CD-OD1 3.47Å; R42-N136 PolarHBondContact NE-OD1 3.32Å; R42-N136 PolarHBondContact O-N 3.38Å; R42-N136 PolarHBondContact O-ND2 3.49Å; N136-S138 PolarHBondContact O-N 2.93Å; N136-V139 HydrophobicContact CB-CG2 4.21Å; N136-V139 VanDerWaalsContact O-CG2 3.28Å; N136-V139 WeakPolarHBondContact O-CG2 3.47Å; N136-V139 PolarHBondContact O-N 3.31Å; N136-R140 PolarHBondContact O-N 2.93Å; N136-R140 VanDerWaalsContact O-N 3.14Å
137	D	86.3	Confident	92	Very high	125 Å²	125	55.4 Å²	55.4	67%	0.668	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.6	174.6	-72.5	-36.2	0	0	0	113	R140	D137-R140 IonicContact OD1-NH1 3.68Å
138	S	85.9	Confident	92	Very high	108 Å²	108	57.1 Å²	57.1	76%	0.755	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.9	176.9	61.2	0	0	0	0	114.6	N136	N136-S138 PolarHBondContact O-N 2.93Å
139	V	87.7	Confident	92	Very high	47 Å²	47	54.2 Å²	54.2	29%	0.285	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-1.4	178	-59.1	0	0	0	0	112	P135 N136 V141	P135-V139 HydrophobicContact CB-CG2 4.09Å; N136-V139 HydrophobicContact CB-CG2 4.21Å; N136-V139 VanDerWaalsContact O-CG2 3.28Å; N136-V139 WeakPolarHBondContact O-CG2 3.47Å; N136-V139 PolarHBondContact O-N 3.31Å; V139-V141 PolarHBondContact O-N 2.7Å
140	R	87.4	Confident	92	Very high	102 Å²	102	53.3 Å²	53.3	39%	0.385	30%	0.3	S	S	.	.			trans	-66	120.9	-176.4	-176	173.8	-176.5	178.7	1.3	110.6	E102 Y133 N136 D137	E102-R140 IonicContact OE1-NH2 3.68Å; E102-R140 IonicContact OE2-CZ 2.64Å; E102-R140 IonicContact OE2-NE 3.71Å; E102-R140 PolarHBondContact OE2-NE 2.58Å; E102-R140 IonicContact OE2-NH2 3.31Å; E102-R140 PolarHBondContact OE2-NH2 3.13Å; Y133-R140 HydrophobicContact CE1-CB 4.45Å; Y133-R140 HydrophobicContact CE1-CG 4.09Å; N136-R140 PolarHBondContact O-N 2.93Å; N136-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 IonicContact OD1-NH1 3.68Å
141	V	86.7	Confident	91.9	Very high	85 Å²	85	59.2 Å²	59.2	52%	0.515	32%	0.318	S	S	.	.			trans	-96.3	112.3	169.9	-177.6	0	0	0	0	107.1	E102 V139	E102-V141 VanDerWaalsContact CG-O 3.24Å; E102-V141 WeakPolarHBondContact CG-O 3.43Å; V139-V141 PolarHBondContact O-N 2.7Å
142	S	87.3	Confident	91.9	Very high	95 Å²	95	57.9 Å²	57.9	66%	0.664	31%	0.311	S	S	*	.			trans	-78	139.1	-176	-170.2	0	0	0	0	112.2	E102	E102-S142 WeakPolarHBondContact OE1-CA 3.35Å; E102-S142 PolarHBondContact OE1-OG 3.39Å; E102-S142 VanDerWaalsContact OE1-OG 3.09Å
143	H	91.3	Very high	91.9	Very high	44 Å²	44	57.1 Å²	57.1	20%	0.204	31%	0.307	C	S	.	.			trans	-124.6	130.9	174.9	-167.3	-70.7	0	0	0	109.8	L101 E102 D145 E146	L101-H143 HydrophobicContact CB-CB 4.01Å; L101-H143 WeakPolarHBondContact CD1-CE1 3.31Å; L101-H143 VanDerWaalsContact CD1-ND1 3.26Å; L101-H143 WeakPolarHBondContact CD1-ND1 3.22Å; E102-H143 HydrophobicContact CG-CB 3.86Å; E102-H143 PolarHBondContact OE1-N 2.86Å; H143-D145 VanDerWaalsContact C-N 3.27Å; H143-D145 IonicContact CE1-OD2 3.77Å; H143-D145 PolarHBondContact CE1-OD2 2.84Å; H143-D145 PolarHBondContact ND1-N 2.88Å; H143-D145 VanDerWaalsContact ND1-N 3.16Å; H143-D145 IonicContact ND1-OD2 3.12Å; H143-D145 PolarHBondContact O-N 3.2Å; H143-E146 HydrophobicContact CB-CB 4.48Å; H143-E146 WeakPolarHBondContact O-CB 3.44Å; H143-E146 PolarHBondContact O-N 3.11Å
144	P	90.8	Very high	91.8	Very high	113 Å²	113	61 Å²	61	73%	0.734	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.6	-175.5	21.2	-33.6	0	0	0	113.7
145	D	93.3	Very high	91.7	Very high	42 Å²	42	65 Å²	65	23%	0.225	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.5	-177.1	-61.2	-65.6	0	0	0	116	L101 H143 A147 R148 Y149 H610 W612	L101-D145 HydrophobicContact CD1-CB 3.94Å; H143-D145 VanDerWaalsContact C-N 3.27Å; H143-D145 IonicContact CE1-OD2 3.77Å; H143-D145 PolarHBondContact CE1-OD2 2.84Å; H143-D145 PolarHBondContact ND1-N 2.88Å; H143-D145 VanDerWaalsContact ND1-N 3.16Å; H143-D145 IonicContact ND1-OD2 3.12Å; H143-D145 PolarHBondContact O-N 3.2Å; D145-A147 PolarHBondContact O-N 2.69Å; D145-R148 WeakPolarHBondContact O-CB 3.48Å; D145-R148 PolarHBondContact O-N 3.44Å; D145-R148 VanDerWaalsContact O-N 3.12Å; D145-Y149 PolarHBondContact O-N 3.21Å; D145-H610 IonicContact OD2-NE2 3.65Å; D145-W612 HydrophobicContact CB-CH2 3.97Å; D145-W612 HydrophobicContact CB-CZ2 4.07Å
146	E	94.3	Very high	91.5	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-57.4	-49.4	-179.2	179.4	73.2	-179.8	0	0	112	F100 L101 E102 Y105 H143 R148 Y149 V150	F100-E146 VanDerWaalsContact CB-OE2 3.24Å; F100-E146 WeakPolarHBondContact CB-OE2 3.03Å; L101-E146 WeakPolarHBondContact CA-OE2 3.4Å; L101-E146 PolarHBondContact N-OE2 2.73Å; E102-E146 HydrophobicContact CB-CG 4.11Å; E102-E146 VanDerWaalsContact CD-CG 3.47Å; E102-E146 HydrophobicContact CG-CB 3.68Å; E102-E146 HydrophobicContact CG-CG 3.57Å; E102-E146 PolarHBondContact N-OE2 3.09Å; Y105-E146 WeakPolarHBondContact CE2-OE1 3.3Å; Y105-E146 PolarHBondContact OH-OE1 3.3Å; H143-E146 HydrophobicContact CB-CB 4.48Å; H143-E146 WeakPolarHBondContact O-CB 3.44Å; H143-E146 PolarHBondContact O-N 3.11Å; E146-R148 PolarHBondContact O-N 2.92Å; E146-R148 VanDerWaalsContact O-N 3.13Å; E146-Y149 PolarHBondContact O-N 2.98Å; E146-Y149 VanDerWaalsContact O-N 3.09Å; E146-V150 HydrophobicContact CG-CG2 4.49Å; E146-V150 WeakPolarHBondContact O-CG2 3.08Å; E146-V150 PolarHBondContact O-N 2.9Å
147	A	93.9	Very high	91.4	Very high	51 Å²	51	69 Å²	69	42%	0.421	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-27.3	-178.5	0	0	0	0	0	112	D145 R151	D145-A147 PolarHBondContact O-N 2.69Å; A147-R151 VanDerWaalsContact O-CG 3.26Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å; A147-R151 PolarHBondContact O-N 3.22Å; A147-R151 VanDerWaalsContact O-N 3.13Å
148	R	95.1	Very high	91.6	Very high	111 Å²	111	63.4 Å²	63.4	42%	0.419	34%	0.34	S	S	.	.	H	α-helix	trans	-72.5	-45.7	176	-171.2	171.7	-179.5	179.2	0.5	111.2	D145 E146 V150 R151 I152 W612	D145-R148 WeakPolarHBondContact O-CB 3.48Å; D145-R148 PolarHBondContact O-N 3.44Å; D145-R148 VanDerWaalsContact O-N 3.12Å; E146-R148 PolarHBondContact O-N 2.92Å; E146-R148 VanDerWaalsContact O-N 3.13Å; R148-V150 VanDerWaalsContact C-N 3.33Å; R148-V150 PolarHBondContact O-N 3.18Å; R148-R151 PolarHBondContact O-N 2.92Å; R148-I152 HydrophobicContact CG-CD1 4.05Å; R148-I152 VanDerWaalsContact O-CG1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 2.93Å; R148-W612 HydrophobicContact CB-CH2 4.15Å; R148-W612 HydrophobicContact CB-CZ3 4.26Å; R148-W612 HydrophobicContact CG-CE3 4.14Å; R148-W612 HydrophobicContact CG-CH2 4.01Å; R148-W612 HydrophobicContact CG-CZ3 3.76Å; R148-W612 VanDerWaalsContact NH1-NE1 3.1Å
149	Y	96.1	Very high	91.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-41.6	174.1	-79.7	-67.8	0	0	0	112.5	F100 L101 D145 E146 R151 I152 F153 L597 Y602 P604 H610 L611 W612	F100-Y149 HydrophobicContact CD1-CG 4.46Å; L101-Y149 HydrophobicContact CD1-CD2 3.97Å; L101-Y149 HydrophobicContact CD1-CE2 3.8Å; L101-Y149 HydrophobicContact CG-CD2 4.16Å; L101-Y149 HydrophobicContact CG-CE2 4.15Å; D145-Y149 PolarHBondContact O-N 3.21Å; E146-Y149 PolarHBondContact O-N 2.98Å; E146-Y149 VanDerWaalsContact O-N 3.09Å; Y149-R151 VanDerWaalsContact C-N 3.34Å; Y149-R151 PolarHBondContact O-N 3.12Å; Y149-I152 PolarHBondContact O-N 2.85Å; Y149-F153 WeakPolarHBondContact O-CB 3.42Å; Y149-F153 PolarHBondContact O-N 2.83Å; Y149-L597 HydrophobicContact CD1-CD1 4.04Å; Y149-L597 HydrophobicContact CD1-CD2 3.92Å; Y149-L597 HydrophobicContact CE1-CD1 4.47Å; Y149-L597 WeakPolarHBondContact O-CD2 3.1Å; Y149-Y602 HydrophobicContact CE1-CD1 4.43Å; Y149-Y602 AromaticContact CE1-CE1 3.92Å; Y149-Y602 HydrophobicContact CE1-CE1 3.92Å; Y149-Y602 PolarHBondContact OH-OH 3.03Å; Y149-P604 HydrophobicContact CD1-CB 4.4Å; Y149-P604 HydrophobicContact CD1-CG 3.66Å; Y149-P604 HydrophobicContact CD2-CB 4.32Å; Y149-P604 HydrophobicContact CD2-CG 4.37Å; Y149-P604 HydrophobicContact CE1-CB 4.11Å; Y149-P604 HydrophobicContact CE1-CG 3.59Å; Y149-P604 HydrophobicContact CE2-CB 4.04Å; Y149-P604 HydrophobicContact CE2-CG 4.32Å; Y149-P604 HydrophobicContact CG-CG 4.07Å; Y149-H610 AromaticContact CE2-ND1 3.93Å; Y149-H610 AromaticContact CZ-ND1 3.98Å; Y149-H610 WeakPolarHBondContact OH-CB 2.88Å; Y149-H610 PolarHBondContact OH-ND1 3.09Å; Y149-H610 VanDerWaalsContact OH-ND1 3.11Å; Y149-L611 HydrophobicContact CE1-CB 4.39Å; Y149-L611 PolarHBondContact OH-N 3.05Å; Y149-W612 HydrophobicContact CD1-CZ3 4.21Å; Y149-W612 AromaticContact CD2-CH2 4Å; Y149-W612 HydrophobicContact CD2-CH2 4Å; Y149-W612 HydrophobicContact CD2-CZ3 4.18Å; Y149-W612 HydrophobicContact CE1-CH2 4.37Å; Y149-W612 AromaticContact CE1-CZ3 3.81Å; Y149-W612 HydrophobicContact CE1-CZ3 3.81Å; Y149-W612 AromaticContact CE2-CH2 3.46Å; Y149-W612 HydrophobicContact CE2-CH2 3.46Å; Y149-W612 VanDerWaalsContact CE2-CH2 3.46Å; Y149-W612 AromaticContact CE2-CZ3 3.76Å; Y149-W612 HydrophobicContact CE2-CZ3 3.76Å; Y149-W612 HydrophobicContact CG-CZ3 4.38Å; Y149-W612 AromaticContact CZ-CH2 3.67Å; Y149-W612 AromaticContact CZ-CZ3 3.56Å
150	V	95.3	Very high	91.3	Very high	22 Å²	22	59.3 Å²	59.3	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-47.5	174.8	165.9	0	0	0	0	111.2	F100 Y105 M131 E146 R148 F153 Q154	F100-V150 HydrophobicContact CD2-CG2 3.78Å; F100-V150 HydrophobicContact CE2-CG2 3.71Å; Y105-V150 HydrophobicContact CE1-CG2 4.38Å; Y105-V150 HydrophobicContact CE2-CG2 4.38Å; M131-V150 HydrophobicContact CE-CB 4.23Å; M131-V150 HydrophobicContact CE-CG1 3.52Å; M131-V150 HydrophobicContact CE-CG2 4Å; E146-V150 HydrophobicContact CG-CG2 4.49Å; E146-V150 WeakPolarHBondContact O-CG2 3.08Å; E146-V150 PolarHBondContact O-N 2.9Å; R148-V150 VanDerWaalsContact C-N 3.33Å; R148-V150 PolarHBondContact O-N 3.18Å; V150-F153 PolarHBondContact O-N 2.72Å; V150-Q154 WeakPolarHBondContact O-CB 3.38Å; V150-Q154 VanDerWaalsContact O-CG 3.27Å; V150-Q154 WeakPolarHBondContact O-CG 3.32Å; V150-Q154 PolarHBondContact O-N 2.66Å
151	R	94.8	Very high	91.5	Very high	168 Å²	168	55.1 Å²	55.1	63%	0.634	30%	0.299	S	S	*	.	H	α-helix	trans	-63.7	-43.5	177.2	-72.3	172.3	-166.8	162.3	5.2	112.2	A147 R148 Y149 F153 Q154 N155	A147-R151 VanDerWaalsContact O-CG 3.26Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å; A147-R151 PolarHBondContact O-N 3.22Å; A147-R151 VanDerWaalsContact O-N 3.13Å; R148-R151 PolarHBondContact O-N 2.92Å; Y149-R151 VanDerWaalsContact C-N 3.34Å; Y149-R151 PolarHBondContact O-N 3.12Å; R151-F153 VanDerWaalsContact C-N 3.33Å; R151-F153 PolarHBondContact O-N 3.03Å; R151-Q154 PolarHBondContact O-N 3.31Å; R151-N155 PolarHBondContact O-N 3.43Å; R151-N155 VanDerWaalsContact O-N 3.12Å; R151-N155 PolarHBondContact O-OD1 2.78Å
152	I	95.1	Very high	91.9	Very high	18 Å²	18	51.2 Å²	51.2	9%	0.092	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-44.4	177.1	-68.7	166.3	0	0	0	110.4	R148 Y149 Q154 N155 D593 A594 L597 W612	R148-I152 HydrophobicContact CG-CD1 4.05Å; R148-I152 VanDerWaalsContact O-CG1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 2.93Å; Y149-I152 PolarHBondContact O-N 2.85Å; I152-Q154 VanDerWaalsContact C-N 3.33Å; I152-Q154 PolarHBondContact O-N 2.9Å; I152-N155 WeakPolarHBondContact O-CB 3.38Å; I152-N155 PolarHBondContact O-N 3.13Å; I152-D593 HydrophobicContact CG2-CB 4.09Å; I152-A594 HydrophobicContact CG2-CB 4.3Å; I152-A594 WeakPolarHBondContact O-CB 3.45Å; I152-L597 HydrophobicContact CB-CD2 4.24Å; I152-L597 HydrophobicContact CG2-CD2 3.96Å; I152-W612 HydrophobicContact CD1-CE3 3.73Å; I152-W612 HydrophobicContact CD1-CZ3 3.83Å
153	F	95.3	Very high	92.4	Very high	8 Å²	8	47 Å²	47	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-41.9	177	-173.1	-91.4	0	0	0	111.8	V98 F100 V107 M131 Y149 V150 R151 N155 V156 L238 L597 F598	V98-F153 HydrophobicContact CB-CE2 4.25Å; V98-F153 HydrophobicContact CB-CZ 4.47Å; V98-F153 HydrophobicContact CG1-CE1 4.49Å; V98-F153 HydrophobicContact CG1-CE2 4.23Å; V98-F153 HydrophobicContact CG1-CZ 4.13Å; V98-F153 HydrophobicContact CG2-CD2 4.28Å; V98-F153 HydrophobicContact CG2-CE2 4.01Å; F100-F153 HydrophobicContact CE1-CB 4.1Å; F100-F153 HydrophobicContact CE1-CD2 4.14Å; F100-F153 HydrophobicContact CE1-CG 4.3Å; F100-F153 HydrophobicContact CZ-CB 3.65Å; F100-F153 HydrophobicContact CZ-CD1 4.41Å; F100-F153 AromaticContact CZ-CD2 3.99Å; F100-F153 HydrophobicContact CZ-CD2 3.99Å; F100-F153 AromaticContact CZ-CG 3.78Å; F100-F153 HydrophobicContact CZ-CG 3.78Å; V107-F153 HydrophobicContact CG2-CE1 3.91Å; V107-F153 HydrophobicContact CG2-CZ 4.13Å; M131-F153 HydrophobicContact SD-CD1 4.03Å; M131-F153 HydrophobicContact SD-CE1 4.26Å; Y149-F153 WeakPolarHBondContact O-CB 3.42Å; Y149-F153 PolarHBondContact O-N 2.83Å; V150-F153 PolarHBondContact O-N 2.72Å; R151-F153 VanDerWaalsContact C-N 3.33Å; R151-F153 PolarHBondContact O-N 3.03Å; F153-N155 PolarHBondContact O-N 2.84Å; F153-V156 PolarHBondContact O-N 3.03Å; F153-V156 VanDerWaalsContact O-N 3.15Å; F153-L238 HydrophobicContact CZ-CD1 4.45Å; F153-L597 HydrophobicContact CB-CD2 3.85Å; F153-L597 HydrophobicContact CD2-CD2 4.4Å; F153-L597 HydrophobicContact CD2-CG 4.27Å; F153-F598 HydrophobicContact CD2-CD2 4.45Å; F153-F598 HydrophobicContact CE1-CD2 4.41Å; F153-F598 HydrophobicContact CE2-CB 4.31Å; F153-F598 AromaticContact CE2-CD2 3.65Å; F153-F598 HydrophobicContact CE2-CD2 3.65Å; F153-F598 HydrophobicContact CE2-CE2 4.41Å; F153-F598 HydrophobicContact CE2-CG 4.38Å; F153-F598 AromaticContact CZ-CD2 3.62Å; F153-F598 HydrophobicContact CZ-CD2 3.62Å; F153-F598 AromaticContact CZ-CE2 3.98Å; F153-F598 HydrophobicContact CZ-CE2 3.98Å
154	Q	93.6	Very high	92.6	Very high	113 Å²	113	44.9 Å²	44.9	53%	0.528	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-15.2	178.1	-73.1	173.8	-19.4	0	0	114	V150 R151 I152 V156	V150-Q154 WeakPolarHBondContact O-CB 3.38Å; V150-Q154 VanDerWaalsContact O-CG 3.27Å; V150-Q154 WeakPolarHBondContact O-CG 3.32Å; V150-Q154 PolarHBondContact O-N 2.66Å; R151-Q154 PolarHBondContact O-N 3.31Å; I152-Q154 VanDerWaalsContact C-N 3.33Å; I152-Q154 PolarHBondContact O-N 2.9Å; Q154-V156 PolarHBondContact O-N 3.43Å
155	N	91.9	Very high	92.8	Very high	89 Å²	89	40.2 Å²	40.2	48%	0.476	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.7	171.7	-70.8	-13.6	0	0	0	112.4	R151 I152 F153 D157 A594	R151-N155 PolarHBondContact O-N 3.43Å; R151-N155 VanDerWaalsContact O-N 3.12Å; R151-N155 PolarHBondContact O-OD1 2.78Å; I152-N155 WeakPolarHBondContact O-CB 3.38Å; I152-N155 PolarHBondContact O-N 3.13Å; F153-N155 PolarHBondContact O-N 2.84Å; N155-D157 PolarHBondContact O-N 2.93Å; N155-A594 HydrophobicContact CB-CB 3.79Å
156	V	90.4	Very high	92.7	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.127	20%	0.196	C	C	.	.	S	Bend	trans	-75.9	101.6	166.5	-176.7	0	0	0	0	108.6	F153 Q154 L158 F162 A594 F598	F153-V156 PolarHBondContact O-N 3.03Å; F153-V156 VanDerWaalsContact O-N 3.15Å; Q154-V156 PolarHBondContact O-N 3.43Å; V156-L158 HydrophobicContact CG1-CD2 4.24Å; V156-L158 PolarHBondContact O-N 2.7Å; V156-F162 HydrophobicContact CG1-CE2 4.12Å; V156-F162 HydrophobicContact CG1-CZ 4.02Å; V156-A594 HydrophobicContact CG2-CB 3.69Å; V156-A594 WeakPolarHBondContact CG2-O 3.49Å; V156-F598 HydrophobicContact CB-CD2 4.43Å; V156-F598 HydrophobicContact CG1-CD2 4.26Å; V156-F598 HydrophobicContact CG1-CG 4.34Å; V156-F598 HydrophobicContact CG2-CB 3.87Å; V156-F598 HydrophobicContact CG2-CG 4.32Å
157	D	87.6	Confident	92.5	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.444	20%	0.199	S	C	.	.			trans	-73.4	93.9	177.3	-178.3	7.6	0	0	0	111.5	N155 S159 S160	N155-D157 PolarHBondContact O-N 2.93Å; D157-S159 PolarHBondContact O-N 2.9Å; D157-S159 WeakPolarHBondContact OD1-CA 3.5Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 2.86Å; D157-S159 PolarHBondContact OD1-OG 2.99Å; D157-S160 PolarHBondContact O-N 3.44Å; D157-S160 PolarHBondContact O-OG 2.87Å; D157-S160 PolarHBondContact OD1-N 3.27Å; D157-S160 WeakPolarHBondContact OD2-CB 3.46Å
158	L	90.2	Very high	92.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-22.7	176.3	-66	177.2	0	0	0	113.3	V95 V107 I126 T129 V156 S160 F162 F598	V95-L158 HydrophobicContact CG1-CD1 4.46Å; V95-L158 HydrophobicContact CG2-CD1 4.48Å; V107-L158 HydrophobicContact CG1-CD1 3.89Å; I126-L158 WeakPolarHBondContact CB-O 3.36Å; I126-L158 WeakPolarHBondContact CG2-O 3.44Å; T129-L158 HydrophobicContact CG2-CB 3.76Å; T129-L158 HydrophobicContact CG2-CD1 3.95Å; V156-L158 HydrophobicContact CG1-CD2 4.24Å; V156-L158 PolarHBondContact O-N 2.7Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.48Å; L158-F162 HydrophobicContact CB-CD2 4.48Å; L158-F162 HydrophobicContact CD2-CD1 4.46Å; L158-F162 HydrophobicContact CD2-CD2 3.93Å; L158-F162 HydrophobicContact CD2-CE1 4.28Å; L158-F162 HydrophobicContact CD2-CE2 3.75Å; L158-F162 HydrophobicContact CD2-CG 4.27Å; L158-F162 HydrophobicContact CD2-CZ 3.93Å; L158-F598 HydrophobicContact CD1-CE2 4.43Å; L158-F598 HydrophobicContact CD2-CE2 3.69Å; L158-F598 HydrophobicContact CD2-CZ 3.86Å
159	S	86.7	Confident	92.2	Very high	42 Å²	42	33.9 Å²	33.9	29%	0.294	17%	0.171	S	C	.	.	H	α-helix	trans	-77.7	-14.5	178.6	75.9	0	0	0	0	113.6	K125 I126 E127 D157	K125-S159 WeakPolarHBondContact CE-O 3.16Å; I126-S159 CarbonylContact O-C 3.42Å; I126-S159 WeakPolarHBondContact O-CA 3.5Å; E127-S159 WeakPolarHBondContact O-CB 3.45Å; D157-S159 PolarHBondContact O-N 2.9Å; D157-S159 WeakPolarHBondContact OD1-CA 3.5Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 2.86Å; D157-S159 PolarHBondContact OD1-OG 2.99Å
160	S	80.6	Confident	92.2	Very high	28 Å²	28	34.1 Å²	34.1	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-75.9	-63.7	-172	65.3	0	0	0	0	113.2	K125 D157 L158	K125-S160 WeakPolarHBondContact CE-O 3.27Å; K125-S160 PolarHBondContact NZ-O 2.94Å; D157-S160 PolarHBondContact O-N 3.44Å; D157-S160 PolarHBondContact O-OG 2.87Å; D157-S160 PolarHBondContact OD1-N 3.27Å; D157-S160 WeakPolarHBondContact OD2-CB 3.46Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.48Å
161	N	90.6	Very high	92.2	Very high	14 Å²	14	33.2 Å²	33.2	8%	0.075	17%	0.167	C	C	.	.	H	α-helix	trans	-144.1	27.5	-159.5	-66	-52	0	0	0	113.2	Y163 H256 G257 T544	N161-Y163 VanDerWaalsContact C-CE2 3.49Å; N161-Y163 WeakPolarHBondContact O-CD2 3.24Å; N161-Y163 VanDerWaalsContact O-CE2 3.25Å; N161-Y163 WeakPolarHBondContact O-CE2 3.37Å; N161-H256 WeakPolarHBondContact O-CA 3.1Å; N161-H256 PolarHBondContact O-CD2 3.33Å; N161-H256 VanDerWaalsContact O-CD2 3.29Å; N161-G257 PolarHBondContact O-N 2.71Å; N161-T544 HydrophobicContact CB-CG2 4.42Å; N161-T544 WeakPolarHBondContact OD1-CG2 3.37Å
162	F	96.4	Very high	92.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.1	176.1	-69.6	-91.3	0	0	0	111.4	K125 I126 V156 L158 W234 I254 I255 H256	K125-F162 WeakPolarHBondContact CA-O 3.25Å; I126-F162 HydrophobicContact CB-CB 4.42Å; I126-F162 HydrophobicContact CD1-CB 3.67Å; I126-F162 HydrophobicContact CG1-CB 4.08Å; I126-F162 PolarHBondContact N-O 2.82Å; V156-F162 HydrophobicContact CG1-CE2 4.12Å; V156-F162 HydrophobicContact CG1-CZ 4.02Å; L158-F162 HydrophobicContact CB-CD2 4.48Å; L158-F162 HydrophobicContact CD2-CD1 4.46Å; L158-F162 HydrophobicContact CD2-CD2 3.93Å; L158-F162 HydrophobicContact CD2-CE1 4.28Å; L158-F162 HydrophobicContact CD2-CE2 3.75Å; L158-F162 HydrophobicContact CD2-CG 4.27Å; L158-F162 HydrophobicContact CD2-CZ 3.93Å; F162-W234 HydrophobicContact CE1-CB 3.96Å; F162-W234 AromaticContact CE1-CD2 3.98Å; F162-W234 HydrophobicContact CE1-CD2 3.98Å; F162-W234 AromaticContact CE1-CE3 3.83Å; F162-W234 HydrophobicContact CE1-CE3 3.83Å; F162-W234 HydrophobicContact CE1-CG 4.03Å; F162-W234 HydrophobicContact CZ-CD2 4.49Å; F162-W234 AromaticContact CZ-CE3 3.96Å; F162-W234 HydrophobicContact CZ-CE3 3.96Å; F162-W234 HydrophobicContact CZ-CZ3 4.42Å; F162-I254 HydrophobicContact CD1-CD1 3.6Å; F162-I254 HydrophobicContact CD1-CG1 3.94Å; F162-I254 HydrophobicContact CE1-CD1 4.12Å; F162-I254 HydrophobicContact CG-CD1 4.3Å; F162-I255 CarbonylContact C-O 3.6Å; F162-I255 VanDerWaalsContact CA-O 3.26Å; F162-I255 WeakPolarHBondContact CA-O 3.36Å; F162-H256 HydrophobicContact CD1-CB 3.92Å; F162-H256 AromaticContact CD2-CD2 3.89Å; F162-H256 HydrophobicContact CE1-CB 3.63Å; F162-H256 AromaticContact CE1-CD2 3.94Å; F162-H256 AromaticContact CE1-CG 3.89Å; F162-H256 AromaticContact CE2-CD2 3.59Å; F162-H256 HydrophobicContact CZ-CB 4.13Å; F162-H256 AromaticContact CZ-CD2 3.63Å; F162-H256 AromaticContact CZ-CG 3.86Å
163	Y	97.2	Very high	92.2	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150	-175.6	-51.4	-94.6	0	0	0	111.2	M115 Y124 K125 N161 I254 I255 C259	M115-Y163 HydrophobicContact CG-CD1 4.31Å; M115-Y163 HydrophobicContact CG-CE1 4.04Å; Y124-Y163 CarbonylContact O-C 3.52Å; Y124-Y163 WeakPolarHBondContact O-CA 3.44Å; K125-Y163 HydrophobicContact CB-CD1 3.81Å; K125-Y163 HydrophobicContact CB-CE1 3.75Å; K125-Y163 HydrophobicContact CD-CE1 4.17Å; K125-Y163 HydrophobicContact CG-CD1 4.36Å; K125-Y163 HydrophobicContact CG-CE1 4.02Å; N161-Y163 VanDerWaalsContact C-CE2 3.49Å; N161-Y163 WeakPolarHBondContact O-CD2 3.24Å; N161-Y163 VanDerWaalsContact O-CE2 3.25Å; N161-Y163 WeakPolarHBondContact O-CE2 3.37Å; Y163-I254 WeakPolarHBondContact O-CA 3.47Å; Y163-I255 PolarHBondContact N-O 2.97Å; Y163-I255 WeakPolarHBondContact O-CG1 3.44Å; Y163-I255 PolarHBondContact O-N 3.02Å; Y163-C259 HydrophobicContact CD1-CB 3.71Å; Y163-C259 HydrophobicContact CD2-CB 4.42Å; Y163-C259 HydrophobicContact CE1-CB 3.73Å; Y163-C259 HydrophobicContact CE2-CB 4.47Å; Y163-C259 HydrophobicContact CG-CB 4.07Å
164	F	96.4	Very high	92.1	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.9	175.4	68.1	-91.4	0	0	0	110.5	I109 R112 Y124 I126 Y166 M252 I254	I109-F164 HydrophobicContact CD1-CD1 4.06Å; I109-F164 HydrophobicContact CD1-CE1 3.69Å; I109-F164 HydrophobicContact CD1-CZ 4.3Å; I109-F164 HydrophobicContact CG2-CE1 4.43Å; R112-F164 HydrophobicContact CB-CE1 4.39Å; R112-F164 HydrophobicContact CB-CZ 4.18Å; Y124-F164 HydrophobicContact CD2-CE2 4.46Å; Y124-F164 PolarHBondContact N-O 3.09Å; Y124-F164 PolarHBondContact O-N 2.8Å; I126-F164 HydrophobicContact CD1-CD1 4.41Å; I126-F164 HydrophobicContact CG1-CD1 3.9Å; I126-F164 HydrophobicContact CG1-CE1 3.89Å; F164-Y166 HydrophobicContact CD2-CD1 4.47Å; F164-Y166 HydrophobicContact CD2-CE1 4.22Å; F164-Y166 HydrophobicContact CE2-CD1 4.27Å; F164-Y166 AromaticContact CE2-CE1 3.65Å; F164-Y166 HydrophobicContact CE2-CE1 3.65Å; F164-Y166 HydrophobicContact CE2-CE2 4.35Å; F164-Y166 AromaticContact CE2-CZ 3.66Å; F164-M252 HydrophobicContact CB-CG 4.24Å; F164-M252 HydrophobicContact CB-SD 4.2Å; F164-M252 HydrophobicContact CD1-CE 4.08Å; F164-M252 HydrophobicContact CD1-SD 4.38Å; F164-M252 HydrophobicContact CD2-CE 3.92Å; F164-M252 HydrophobicContact CD2-CG 4.14Å; F164-M252 HydrophobicContact CD2-SD 3.16Å; F164-M252 WeakPolarHBondContact CD2-SD 3.24Å; F164-M252 HydrophobicContact CE1-CE 4.21Å; F164-M252 HydrophobicContact CE2-CE 4.05Å; F164-M252 HydrophobicContact CE2-SD 3.44Å; F164-M252 WeakPolarHBondContact CE2-SD 3.26Å; F164-M252 HydrophobicContact CG-CE 3.91Å; F164-M252 HydrophobicContact CG-CG 4.36Å; F164-M252 HydrophobicContact CG-SD 3.67Å; F164-M252 HydrophobicContact CZ-CE 4.17Å; F164-M252 HydrophobicContact CZ-SD 4.15Å; F164-I254 HydrophobicContact CB-CG2 4.21Å
165	S	94.5	Very high	92.1	Very high	14 Å²	14	19.8 Å²	19.8	10%	0.098	11%	0.113	C	C	.	.			trans	-139.9	149.9	167.1	177.4	0	0	0	0	108.5	S122 S167 Y168	S122-S165 VanDerWaalsContact O-CB 3.28Å; S122-S165 WeakPolarHBondContact O-CB 3.32Å; S122-S165 PolarHBondContact O-OG 3.11Å; S165-S167 PolarHBondContact OG-N 2.89Å; S165-Y168 WeakPolarHBondContact CB-O 3.3Å; S165-Y168 PolarHBondContact OG-N 3.09Å
166	Y	91.6	Very high	92.1	Very high	12 Å²	12	16.3 Å²	16.3	5%	0.047	9%	0.093	C	C	.	.	S	Bend	trans	-82.8	-20.2	178	-61.5	-54.9	0	0	0	113.2	S9 Q12 F92 Y124 F164 M252	S9-Y166 WeakPolarHBondContact CB-O 3.39Å; S9-Y166 PolarHBondContact N-O 3.19Å; Q12-Y166 HydrophobicContact CB-CD2 4.12Å; Q12-Y166 HydrophobicContact CB-CE1 4.47Å; Q12-Y166 HydrophobicContact CB-CE2 3.7Å; Q12-Y166 HydrophobicContact CG-CD1 4.3Å; Q12-Y166 HydrophobicContact CG-CD2 3.62Å; Q12-Y166 HydrophobicContact CG-CE1 4.49Å; Q12-Y166 HydrophobicContact CG-CE2 3.76Å; Q12-Y166 HydrophobicContact CG-CG 3.9Å; Q12-Y166 PolarHBondContact O-OH 3.32Å; F92-Y166 PolarHBondContact O-OH 3.32Å; Y124-Y166 HydrophobicContact CE2-CD2 4.49Å; F164-Y166 HydrophobicContact CD2-CD1 4.47Å; F164-Y166 HydrophobicContact CD2-CE1 4.22Å; F164-Y166 HydrophobicContact CE2-CD1 4.27Å; F164-Y166 AromaticContact CE2-CE1 3.65Å; F164-Y166 HydrophobicContact CE2-CE1 3.65Å; F164-Y166 HydrophobicContact CE2-CE2 4.35Å; F164-Y166 AromaticContact CE2-CZ 3.66Å; Y166-M252 HydrophobicContact CD1-SD 3.99Å; Y166-M252 HydrophobicContact CE1-SD 3.59Å; Y166-M252 VanDerWaalsContact CE1-SD 3.59Å
167	S	88.6	Confident	92.1	Very high	13 Å²	13	16.3 Å²	16.3	9%	0.091	9%	0.092	C	C	.	.	S	Bend	trans	-128	-9.1	-169.2	57.1	0	0	0	0	113.3	H121 S165	H121-S167 PolarHBondContact CE1-O 2.74Å; H121-S167 VanDerWaalsContact CE1-O 3.28Å; H121-S167 VanDerWaalsContact ND1-C 3.35Å; H121-S167 WeakPolarHBondContact ND1-CB 3.24Å; H121-S167 PolarHBondContact ND1-O 2.98Å; H121-S167 VanDerWaalsContact ND1-O 3.09Å; H121-S167 PolarHBondContact ND1-OG 2.74Å; S165-S167 PolarHBondContact OG-N 2.89Å
168	Y	90.6	Very high	92.1	Very high	13 Å²	13	12.5 Å²	12.5	5%	0.051	7%	0.072	C	C	.	.	S	Bend	trans	-126.9	128.7	178.8	-176.8	-94	0	0	0	110.8	H121 S165 L170 L174 N177 F317	H121-Y168 HydrophobicContact CB-CG 4.34Å; S165-Y168 WeakPolarHBondContact CB-O 3.3Å; S165-Y168 PolarHBondContact OG-N 3.09Å; Y168-L170 HydrophobicContact CD1-CD2 3.67Å; Y168-L170 HydrophobicContact CD1-CG 4.26Å; Y168-L170 HydrophobicContact CE1-CD2 3.91Å; Y168-L170 PolarHBondContact O-N 3.44Å; Y168-L174 HydrophobicContact CE2-CD1 4.03Å; Y168-L174 VanDerWaalsContact OH-CA 3.32Å; Y168-L174 WeakPolarHBondContact OH-CA 3.21Å; Y168-N177 HydrophobicContact CE2-CB 4.14Å; Y168-N177 WeakPolarHBondContact CE2-ND2 3.33Å; Y168-N177 PolarHBondContact OH-ND2 2.99Å; Y168-N177 VanDerWaalsContact OH-ND2 3.12Å; Y168-F317 HydrophobicContact CD2-CE2 4.31Å; Y168-F317 HydrophobicContact CD2-CZ 4.21Å; Y168-F317 HydrophobicContact CE2-CE2 4.44Å; Y168-F317 HydrophobicContact CE2-CZ 4.06Å
169	D	92.6	Very high	91.7	Very high	36 Å²	36	13.1 Å²	13.1	19%	0.193	8%	0.076	C	C	.	.			trans	-79.4	104.8	177.9	-170.9	-7.6	0	0	0	110.6	S171 H172 N177 N226 P228	D169-S171 VanDerWaalsContact CG-OG 3.23Å; D169-S171 PolarHBondContact O-N 3.24Å; D169-S171 VanDerWaalsContact OD1-CB 3.28Å; D169-S171 WeakPolarHBondContact OD1-CB 3.33Å; D169-S171 PolarHBondContact OD1-N 2.79Å; D169-S171 PolarHBondContact OD1-OG 3.09Å; D169-S171 PolarHBondContact OD2-OG 3.16Å; D169-H172 IonicContact OD2-CD2 3.52Å; D169-H172 PolarHBondContact OD2-CD2 3.12Å; D169-H172 VanDerWaalsContact OD2-CD2 3.3Å; D169-N177 PolarHBondContact O-ND2 3.09Å; D169-N226 PolarHBondContact OD2-ND2 2.77Å; D169-P228 WeakPolarHBondContact OD2-CA 3.41Å
170	L	95.3	Very high	91.3	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.031	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.1	177.5	-66.6	176.4	0	0	0	113.7	I123 Y168 H172 I255 I276 R278	I123-L170 HydrophobicContact CD1-CD2 3.63Å; I123-L170 HydrophobicContact CG1-CD2 3.93Å; I123-L170 HydrophobicContact CG2-CD1 3.88Å; I123-L170 HydrophobicContact CG2-CD2 4.23Å; Y168-L170 HydrophobicContact CD1-CD2 3.67Å; Y168-L170 HydrophobicContact CD1-CG 4.26Å; Y168-L170 HydrophobicContact CE1-CD2 3.91Å; Y168-L170 PolarHBondContact O-N 3.44Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-I255 HydrophobicContact CB-CD1 3.9Å; L170-I255 HydrophobicContact CB-CG1 4.1Å; L170-I255 HydrophobicContact CB-CG2 3.96Å; L170-I255 HydrophobicContact CD1-CD1 4.11Å; L170-I255 HydrophobicContact CD1-CG1 4.08Å; L170-I276 HydrophobicContact CD2-CD1 4.36Å; L170-R278 WeakPolarHBondContact O-CD 3.49Å
171	S	95.1	Very high	91	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.014	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-21.2	178.7	71.2	0	0	0	0	112.8	D169 P228 Y229 Y232 R371	D169-S171 VanDerWaalsContact CG-OG 3.23Å; D169-S171 PolarHBondContact O-N 3.24Å; D169-S171 VanDerWaalsContact OD1-CB 3.28Å; D169-S171 WeakPolarHBondContact OD1-CB 3.33Å; D169-S171 PolarHBondContact OD1-N 2.79Å; D169-S171 PolarHBondContact OD1-OG 3.09Å; D169-S171 PolarHBondContact OD2-OG 3.16Å; S171-P228 WeakPolarHBondContact OG-CA 3.37Å; S171-Y229 PolarHBondContact OG-N 3.47Å; S171-Y232 WeakPolarHBondContact O-CD2 3.44Å; S171-R371 PolarHBondContact O-NH2 3.43Å; S171-R371 VanDerWaalsContact O-NH2 3.13Å
172	H	94.8	Very high	90	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.028	8%	0.077	C	C	.	.	S	Bend	trans	-107.7	163.4	178.4	-72.8	-73	0	0	0	112.2	D169 L170 Y176 N226 E227 Y229	D169-H172 IonicContact OD2-CD2 3.52Å; D169-H172 PolarHBondContact OD2-CD2 3.12Å; D169-H172 VanDerWaalsContact OD2-CD2 3.3Å; L170-H172 VanDerWaalsContact C-N 3.32Å; H172-Y176 HydrophobicContact CB-CD1 3.7Å; H172-Y176 HydrophobicContact CB-CE1 4.48Å; H172-Y176 HydrophobicContact CB-CG 4.03Å; H172-Y176 AromaticContact CD2-CD1 3.95Å; H172-Y176 AromaticContact CD2-CE1 3.87Å; H172-Y176 AromaticContact CE1-CE1 3.72Å; H172-Y176 AromaticContact CE1-CZ 3.72Å; H172-Y176 AromaticContact CG-CD1 3.54Å; H172-Y176 AromaticContact CG-CE1 3.87Å; H172-Y176 AromaticContact CG-CG 3.99Å; H172-Y176 AromaticContact ND1-CD1 3.69Å; H172-Y176 AromaticContact ND1-CD2 4Å; H172-Y176 AromaticContact ND1-CE1 3.85Å; H172-Y176 AromaticContact ND1-CG 3.78Å; H172-Y176 AromaticContact NE2-CE1 3.78Å; H172-N226 PolarHBondContact CD2-ND2 3.18Å; H172-N226 PolarHBondContact NE2-ND2 3.44Å; H172-E227 PolarHBondContact NE2-O 3.28Å; H172-Y229 AromaticContact CE1-CD2 3.87Å; H172-Y229 PolarHBondContact NE2-N 3.12Å
173	S	95.4	Very high	88.8	Confident	12 Å²	12	15.8 Å²	15.8	8%	0.084	8%	0.08	C	C	.	.			trans	-74.2	160.8	173.4	71.6	0	0	0	0	111	Q175 Y176 N177	S173-Q175 PolarHBondContact O-N 3.2Å; S173-Y176 PolarHBondContact O-N 3.47Å; S173-Y176 PolarHBondContact OG-N 3.37Å; S173-N177 PolarHBondContact O-N 3.26Å; S173-N177 VanDerWaalsContact O-N 3.09Å; S173-N177 PolarHBondContact O-ND2 3.13Å
174	L	94.6	Very high	86.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-36	173.6	-177.6	64.8	0	0	0	111.9	I118 Y168 N177 L178 E306 I308 F317 Y322	I118-L174 HydrophobicContact CG2-CD1 4.49Å; Y168-L174 HydrophobicContact CE2-CD1 4.03Å; Y168-L174 VanDerWaalsContact OH-CA 3.32Å; Y168-L174 WeakPolarHBondContact OH-CA 3.21Å; L174-N177 PolarHBondContact O-N 3.44Å; L174-L178 HydrophobicContact CD1-CD1 3.76Å; L174-L178 HydrophobicContact CD1-CG 3.91Å; L174-L178 HydrophobicContact CD2-CD1 4.24Å; L174-L178 HydrophobicContact CG-CD1 3.77Å; L174-L178 HydrophobicContact CG-CG 4.25Å; L174-L178 WeakPolarHBondContact O-CB 3.44Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 2.89Å; L174-E306 WeakPolarHBondContact CB-OE1 3.38Å; L174-E306 PolarHBondContact N-OE1 2.93Å; L174-I308 HydrophobicContact CB-CD1 4.08Å; L174-I308 HydrophobicContact CB-CG1 4.42Å; L174-I308 HydrophobicContact CD2-CD1 4.21Å; L174-I308 HydrophobicContact CD2-CG1 4.18Å; L174-I308 HydrophobicContact CD2-CG2 3.69Å; L174-F317 HydrophobicContact CD1-CE1 3.82Å; L174-F317 HydrophobicContact CD1-CZ 3.97Å; L174-Y322 HydrophobicContact CD2-CD1 4.31Å
175	Q	93.5	Very high	85	Confident	8 Å²	8	22.7 Å²	22.7	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-57.5	-52.1	175.4	175.1	168.7	-60.5	0	0	110.5	S173 N177 L178 T179 F451 L481 Q482 E653	S173-Q175 PolarHBondContact O-N 3.2Å; Q175-N177 PolarHBondContact O-N 2.98Å; Q175-L178 PolarHBondContact O-N 2.82Å; Q175-T179 VanDerWaalsContact O-CB 3.27Å; Q175-T179 WeakPolarHBondContact O-CB 3.48Å; Q175-T179 PolarHBondContact O-N 3.12Å; Q175-T179 PolarHBondContact O-OG1 3.18Å; Q175-F451 HydrophobicContact CB-CB 3.97Å; Q175-F451 HydrophobicContact CB-CD1 4.44Å; Q175-F451 HydrophobicContact CB-CD2 3.63Å; Q175-F451 HydrophobicContact CB-CE2 4.24Å; Q175-F451 HydrophobicContact CB-CG 3.73Å; Q175-F451 HydrophobicContact CG-CB 4.36Å; Q175-F451 HydrophobicContact CG-CD2 3.45Å; Q175-F451 VanDerWaalsContact CG-CD2 3.45Å; Q175-F451 HydrophobicContact CG-CE2 4Å; Q175-F451 HydrophobicContact CG-CG 4.06Å; Q175-L481 HydrophobicContact CG-CD2 4.13Å; Q175-Q482 PolarHBondContact NE2-O 3.44Å; Q175-E653 WeakPolarHBondContact CG-OE1 3.4Å; Q175-E653 VanDerWaalsContact CG-OE2 3.31Å; Q175-E653 WeakPolarHBondContact CG-OE2 3.48Å; Q175-E653 VanDerWaalsContact NE2-CD 3.31Å; Q175-E653 PolarHBondContact NE2-OE1 3.26Å; Q175-E653 VanDerWaalsContact NE2-OE1 3.11Å; Q175-E653 PolarHBondContact NE2-OE2 3.13Å
176	Y	91.3	Very high	83	Confident	16 Å²	16	29.8 Å²	29.8	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-51.6	178	-173.6	-83.2	0	0	0	111.4	H172 S173 L178 T179 L180 N226 D652 E653	H172-Y176 HydrophobicContact CB-CD1 3.7Å; H172-Y176 HydrophobicContact CB-CE1 4.48Å; H172-Y176 HydrophobicContact CB-CG 4.03Å; H172-Y176 AromaticContact CD2-CD1 3.95Å; H172-Y176 AromaticContact CD2-CE1 3.87Å; H172-Y176 AromaticContact CE1-CE1 3.72Å; H172-Y176 AromaticContact CE1-CZ 3.72Å; H172-Y176 AromaticContact CG-CD1 3.54Å; H172-Y176 AromaticContact CG-CE1 3.87Å; H172-Y176 AromaticContact CG-CG 3.99Å; H172-Y176 AromaticContact ND1-CD1 3.69Å; H172-Y176 AromaticContact ND1-CD2 4Å; H172-Y176 AromaticContact ND1-CE1 3.85Å; H172-Y176 AromaticContact ND1-CG 3.78Å; H172-Y176 AromaticContact NE2-CE1 3.78Å; S173-Y176 PolarHBondContact O-N 3.47Å; S173-Y176 PolarHBondContact OG-N 3.37Å; Y176-L178 PolarHBondContact O-N 3.25Å; Y176-T179 PolarHBondContact O-N 3.41Å; Y176-L180 HydrophobicContact CD1-CD1 3.99Å; Y176-L180 HydrophobicContact CD1-CG 4.45Å; Y176-L180 HydrophobicContact CE1-CD1 3.42Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.42Å; Y176-L180 HydrophobicContact CE1-CG 4.15Å; Y176-L180 WeakPolarHBondContact O-CG 3.47Å; Y176-L180 PolarHBondContact O-N 3.2Å; Y176-N226 VanDerWaalsContact CE1-ND2 3.33Å; Y176-N226 WeakPolarHBondContact CE1-ND2 3.47Å; Y176-D652 HydrophobicContact CE2-CB 4Å; Y176-D652 VanDerWaalsContact CE2-O 3.25Å; Y176-D652 WeakPolarHBondContact CE2-O 3.19Å; Y176-E653 HydrophobicContact CD2-CG 3.69Å; Y176-E653 HydrophobicContact CE2-CG 4.39Å; Y176-E653 HydrophobicContact CG-CG 4.49Å
177	N	90.2	Very high	81.4	Confident	21 Å²	21	33.4 Å²	33.4	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-41.3	-178.1	-72.4	-30.6	0	0	0	112.7	Y168 D169 S173 L174 Q175 L181	Y168-N177 HydrophobicContact CE2-CB 4.14Å; Y168-N177 WeakPolarHBondContact CE2-ND2 3.33Å; Y168-N177 PolarHBondContact OH-ND2 2.99Å; Y168-N177 VanDerWaalsContact OH-ND2 3.12Å; D169-N177 PolarHBondContact O-ND2 3.09Å; S173-N177 PolarHBondContact O-N 3.26Å; S173-N177 VanDerWaalsContact O-N 3.09Å; S173-N177 PolarHBondContact O-ND2 3.13Å; L174-N177 PolarHBondContact O-N 3.44Å; Q175-N177 PolarHBondContact O-N 2.98Å; N177-L181 WeakPolarHBondContact O-CG 3.4Å; N177-L181 PolarHBondContact O-N 3.47Å
178	L	87.3	Confident	80	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-79.3	-37	-179.9	-73.5	177.9	0	0	0	113.3	L174 Q175 Y176 L180 L181 Q182 F317 F451 N453	L174-L178 HydrophobicContact CD1-CD1 3.76Å; L174-L178 HydrophobicContact CD1-CG 3.91Å; L174-L178 HydrophobicContact CD2-CD1 4.24Å; L174-L178 HydrophobicContact CG-CD1 3.77Å; L174-L178 HydrophobicContact CG-CG 4.25Å; L174-L178 WeakPolarHBondContact O-CB 3.44Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 2.89Å; Q175-L178 PolarHBondContact O-N 2.82Å; Y176-L178 PolarHBondContact O-N 3.25Å; L178-L180 PolarHBondContact O-N 3.16Å; L178-L181 HydrophobicContact CD2-CD1 4.2Å; L178-L181 PolarHBondContact O-N 3.36Å; L178-L181 VanDerWaalsContact O-N 3.13Å; L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 2.96Å; L178-F317 HydrophobicContact CD1-CD1 4.45Å; L178-F317 HydrophobicContact CD2-CB 3.73Å; L178-F317 HydrophobicContact CD2-CD1 3.83Å; L178-F317 HydrophobicContact CD2-CD2 4.03Å; L178-F317 HydrophobicContact CD2-CE1 4.4Å; L178-F317 HydrophobicContact CD2-CG 3.64Å; L178-F451 HydrophobicContact CB-CE1 4.32Å; L178-F451 HydrophobicContact CB-CZ 3.77Å; L178-F451 HydrophobicContact CD1-CE1 3.5Å; L178-F451 HydrophobicContact CD1-CZ 3.75Å; L178-F451 HydrophobicContact CG-CZ 4.41Å; L178-N453 HydrophobicContact CD1-CB 4.09Å
179	T	83.4	Confident	78	Confident	21 Å²	21	37.3 Å²	37.3	13%	0.129	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-39	175.3	-65.8	0	0	0	0	110.2	Q175 Y176 Q182 R183 E653	Q175-T179 VanDerWaalsContact O-CB 3.27Å; Q175-T179 WeakPolarHBondContact O-CB 3.48Å; Q175-T179 PolarHBondContact O-N 3.12Å; Q175-T179 PolarHBondContact O-OG1 3.18Å; Y176-T179 PolarHBondContact O-N 3.41Å; T179-Q182 PolarHBondContact O-N 2.88Å; T179-R183 WeakPolarHBondContact O-CG 3.46Å; T179-E653 HydrophobicContact CG2-CB 4.48Å
180	L	77.8	Confident	75.8	Confident	12 Å²	12	39.7 Å²	39.7	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-46.3	174.2	-68.3	-173.8	0	0	0	113	Y176 L178 Q182 R183 N226 I663	Y176-L180 HydrophobicContact CD1-CD1 3.99Å; Y176-L180 HydrophobicContact CD1-CG 4.45Å; Y176-L180 HydrophobicContact CE1-CD1 3.42Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.42Å; Y176-L180 HydrophobicContact CE1-CG 4.15Å; Y176-L180 WeakPolarHBondContact O-CG 3.47Å; Y176-L180 PolarHBondContact O-N 3.2Å; L178-L180 PolarHBondContact O-N 3.16Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 3.11Å; L180-R183 PolarHBondContact O-N 2.83Å; L180-N226 HydrophobicContact CD1-CB 4.37Å; L180-I663 HydrophobicContact CD1-CD1 4.4Å; L180-I663 HydrophobicContact CD2-CD1 3.51Å; L180-I663 HydrophobicContact CD2-CG1 4.44Å
181	L	73.8	Confident	73.3	Confident	30 Å²	30	41.6 Å²	41.6	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-33.8	179.5	-69.3	173.7	0	0	0	112.1	T4 N177 L178 R183 L224 F317	T4-L181 PolarHBondContact OG1-O 2.67Å; N177-L181 WeakPolarHBondContact O-CG 3.4Å; N177-L181 PolarHBondContact O-N 3.47Å; L178-L181 HydrophobicContact CD2-CD1 4.2Å; L178-L181 PolarHBondContact O-N 3.36Å; L178-L181 VanDerWaalsContact O-N 3.13Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 2.82Å; L181-L224 HydrophobicContact CD2-CD1 3.87Å; L181-F317 HydrophobicContact CD1-CD2 4.44Å
182	Q	70.7	Confident	70.4	Confident	78 Å²	78	46 Å²	46	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.9	-177	-69.6	-175.8	3.2	0	0	114.7	L178 T179 L180 T478	L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 2.96Å; T179-Q182 PolarHBondContact O-N 2.88Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 3.11Å; Q182-T478 PolarHBondContact OE1-OG1 2.86Å; Q182-T478 VanDerWaalsContact OE1-OG1 3.05Å
183	R	69.5	Low	67.6	Low	22 Å²	22	51.9 Å²	51.9	8%	0.083	30%	0.3	C	S	.	.	S	Bend	trans	-71.7	137.5	-176.8	-76	174.2	-175.5	-173.1	1.1	112.2	T179 L180 L181 W188 E653 V654	T179-R183 WeakPolarHBondContact O-CG 3.46Å; L180-R183 PolarHBondContact O-N 2.83Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 2.82Å; R183-W188 HydrophobicContact CB-CZ2 3.79Å; R183-E653 PolarHBondContact NH2-O 3Å; R183-V654 PolarHBondContact NH2-O 3.18Å
184	P	58.8	Low	64.8	Low	68 Å²	68	57.7 Å²	57.7	44%	0.442	33%	0.329	S	S	.	.			trans	-65.9	137.8	174.8	-17.3	29.4	0	0	0	112.2	E186 L187	P184-E186 PolarHBondContact O-N 2.97Å; P184-L187 WeakPolarHBondContact O-CB 2.99Å; P184-L187 PolarHBondContact O-N 3.36Å; P184-L187 VanDerWaalsContact O-N 3.11Å
185	Y	55.6	Low	61.7	Low	84 Å²	84	63.9 Å²	63.9	33%	0.329	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-33.7	176.5	174.4	-96.2	0	0	0	114	L187 W188 S189 Y222	Y185-L187 PolarHBondContact O-N 2.98Å; Y185-L187 VanDerWaalsContact O-N 3.16Å; Y185-W188 AromaticContact CD2-CE3 3.87Å; Y185-W188 HydrophobicContact CD2-CE3 3.87Å; Y185-W188 HydrophobicContact CD2-CZ3 4.5Å; Y185-W188 WeakPolarHBondContact O-CA 3.25Å; Y185-W188 WeakPolarHBondContact O-CB 3.44Å; Y185-W188 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-N 2.65Å; Y185-Y222 AromaticContact CD2-CD1 3.94Å; Y185-Y222 HydrophobicContact CD2-CD1 3.94Å; Y185-Y222 AromaticContact CD2-CD2 3.85Å; Y185-Y222 HydrophobicContact CD2-CD2 3.85Å; Y185-Y222 AromaticContact CD2-CE1 3.68Å; Y185-Y222 HydrophobicContact CD2-CE1 3.68Å; Y185-Y222 AromaticContact CD2-CE2 3.59Å; Y185-Y222 HydrophobicContact CD2-CE2 3.59Å; Y185-Y222 HydrophobicContact CD2-CG 4.02Å; Y185-Y222 AromaticContact CD2-CZ 3.48Å; Y185-Y222 VanDerWaalsContact CD2-CZ 3.48Å; Y185-Y222 AromaticContact CE2-CD1 3.73Å; Y185-Y222 HydrophobicContact CE2-CD1 3.73Å; Y185-Y222 HydrophobicContact CE2-CD2 4.36Å; Y185-Y222 AromaticContact CE2-CE1 3.16Å; Y185-Y222 HydrophobicContact CE2-CE1 3.16Å; Y185-Y222 AromaticContact CE2-CE2 3.88Å; Y185-Y222 HydrophobicContact CE2-CE2 3.88Å; Y185-Y222 HydrophobicContact CE2-CG 4.29Å; Y185-Y222 AromaticContact CE2-CZ 3.24Å; Y185-Y222 WeakPolarHBondContact CE2-OH 3.28Å; Y185-Y222 HydrophobicContact CG-CD2 4.46Å; Y185-Y222 AromaticContact CG-CE2 3.99Å; Y185-Y222 HydrophobicContact CG-CE2 3.99Å; Y185-Y222 AromaticContact CZ-CE1 3.84Å; Y185-Y222 AromaticContact CZ-CZ 3.66Å
186	E	53.5	Low	58.7	Low	163 Å²	163	71.4 Å²	71.4	76%	0.762	40%	0.4	S	S	*	.	H	α-helix	trans	-57.1	-31.6	178.8	-67.7	173.5	-170.8	0	0	112.2	P184 W188 A190	P184-E186 PolarHBondContact O-N 2.97Å; E186-W188 VanDerWaalsContact C-N 3.35Å; E186-A190 PolarHBondContact O-N 3.37Å
187	L	57.4	Low	55.7	Low	88 Å²	88	79 Å²	79	46%	0.461	44%	0.436	S	S	.	.	H	α-helix	trans	-73.5	-27.5	176.4	-139	81	0	0	0	112.5	P184 Y185 A655 M660	P184-L187 WeakPolarHBondContact O-CB 2.99Å; P184-L187 PolarHBondContact O-N 3.36Å; P184-L187 VanDerWaalsContact O-N 3.11Å; Y185-L187 PolarHBondContact O-N 2.98Å; Y185-L187 VanDerWaalsContact O-N 3.16Å; L187-A655 HydrophobicContact CD2-CB 3.5Å; L187-A655 VanDerWaalsContact CD2-CB 3.5Å; L187-M660 HydrophobicContact CD2-CE 4.13Å
188	W	58.8	Low	52.7	Low	31 Å²	31	84 Å²	84	12%	0.117	46%	0.459	C	S	.	.	H	α-helix	trans	-81.1	-32.1	176.3	-55.6	-27.8	0	0	0	112.1	T4 R183 Y185 E186 L224 V665	T4-W188 HydrophobicContact CG2-CH2 3.26Å; T4-W188 HydrophobicContact CG2-CZ2 4.43Å; T4-W188 HydrophobicContact CG2-CZ3 3.52Å; R183-W188 HydrophobicContact CB-CZ2 3.79Å; Y185-W188 AromaticContact CD2-CE3 3.87Å; Y185-W188 HydrophobicContact CD2-CE3 3.87Å; Y185-W188 HydrophobicContact CD2-CZ3 4.5Å; Y185-W188 WeakPolarHBondContact O-CA 3.25Å; Y185-W188 WeakPolarHBondContact O-CB 3.44Å; Y185-W188 PolarHBondContact O-N 2.89Å; E186-W188 VanDerWaalsContact C-N 3.35Å; W188-L224 HydrophobicContact CE3-CD2 4.49Å; W188-L224 HydrophobicContact CH2-CD1 3.51Å; W188-L224 HydrophobicContact CH2-CD2 3.65Å; W188-L224 HydrophobicContact CH2-CG 3.94Å; W188-L224 HydrophobicContact CZ2-CD1 3.8Å; W188-L224 HydrophobicContact CZ2-CD2 4.01Å; W188-L224 HydrophobicContact CZ2-CG 4.48Å; W188-L224 HydrophobicContact CZ3-CD1 4.48Å; W188-L224 HydrophobicContact CZ3-CD2 3.93Å; W188-L224 HydrophobicContact CZ3-CG 4.48Å; W188-V665 HydrophobicContact CE3-CG1 4.22Å; W188-V665 HydrophobicContact CE3-CG2 4.38Å; W188-V665 HydrophobicContact CZ3-CG1 4.44Å
189	S	48.6	Very low	49.9	Very low	77 Å²	77	91.7 Å²	91.7	54%	0.538	49%	0.494	S	S	.	.	H	α-helix	trans	-77.7	-17.4	178.5	-172.1	0	0	0	0	113.9	Y185	Y185-S189 PolarHBondContact O-N 2.65Å
190	A	47	Very low	47.1	Very low	85 Å²	85	97.6 Å²	97.6	70%	0.702	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.2	-179.1	0	0	0	0	0	113.9	E186	E186-A190 PolarHBondContact O-N 3.37Å
191	A	42.8	Very low	44.7	Very low	47 Å²	47	103.2 Å²	103.2	39%	0.388	56%	0.555	S	S	.	*	S	Bend	trans	-79.4	140.5	172.3	0	0	0	0	0	110.2
192	P	34	Very low	42.6	Very low	94 Å²	94	109.9 Å²	109.9	61%	0.61	59%	0.586	S	S	*	*			trans	-61	132.5	178.6	25.5	-32.6	0	0	0	109.6	L194	P192-L194 PolarHBondContact O-N 2.96Å
193	P	35.6	Very low	40.7	Very low	129 Å²	129	109.6 Å²	109.6	84%	0.838	60%	0.604	S	S	*	*			trans	-67.5	111.3	-178.2	25.2	-30.7	0	0	0	109.5
194	L	36.2	Very low	38.9	Very low	135 Å²	135	118.4 Å²	118.4	71%	0.707	64%	0.642	S	S	*	*			trans	-108.8	127.6	171.5	-92.4	141.9	0	0	0	109.5	P192	P192-L194 PolarHBondContact O-N 2.96Å
195	T	30.7	Very low	37.4	Very low	129 Å²	129	124.1 Å²	124.1	79%	0.791	66%	0.663	S	S	*	*			trans	67.7	81	-170.7	57.6	0	0	0	0	115.2	E197	T195-E197 VanDerWaalsContact C-N 3.29Å; T195-E197 PolarHBondContact O-N 2.92Å; T195-E197 VanDerWaalsContact O-N 3.08Å
196	K	29.3	Very low	36.2	Very low	166 Å²	166	127.4 Å²	127.4	72%	0.722	69%	0.687	S	S	*	*			trans	-58.3	100.6	138.5	-79.8	176	157.1	-162	0	107.3	E198	K196-E198 HydrophobicContact CB-CG 4.19Å; K196-E198 HydrophobicContact CD-CG 4.18Å; K196-E198 WeakPolarHBondContact CD-OE1 3.48Å; K196-E198 IonicContact NZ-OE1 3.17Å; K196-E198 PolarHBondContact NZ-OE1 2.7Å; K196-E198 PolarHBondContact O-N 3.47Å
197	E	28.6	Very low	35.1	Very low	177 Å²	177	124.7 Å²	124.7	83%	0.827	69%	0.686	S	S	*	*			trans	-67.7	85.7	142.4	-76.7	-173.8	165.1	0	0	105.2	T195 E199	T195-E197 VanDerWaalsContact C-N 3.29Å; T195-E197 PolarHBondContact O-N 2.92Å; T195-E197 VanDerWaalsContact O-N 3.08Å; E197-E199 PolarHBondContact O-N 3.4Å
198	E	27.2	Very low	33.9	Very low	125 Å²	125	129.1 Å²	129.1	58%	0.584	70%	0.701	S	S	*	*			trans	-63.6	88.8	156.9	-88.3	172.6	-170.1	0	0	105.7	K196 H200	K196-E198 HydrophobicContact CB-CG 4.19Å; K196-E198 HydrophobicContact CD-CG 4.18Å; K196-E198 WeakPolarHBondContact CD-OE1 3.48Å; K196-E198 IonicContact NZ-OE1 3.17Å; K196-E198 PolarHBondContact NZ-OE1 2.7Å; K196-E198 PolarHBondContact O-N 3.47Å; E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 2.99Å
199	E	28	Very low	32.8	Very low	164 Å²	164	132.8 Å²	132.8	77%	0.766	72%	0.724	S	S	*	*			trans	-52	109.9	152.8	-76.1	-167.9	153	0	0	106.1	E197 T201	E197-E199 PolarHBondContact O-N 3.4Å; E199-T201 PolarHBondContact O-N 2.93Å
200	H	25.1	Very low	32.3	Very low	146 Å²	146	135.7 Å²	135.7	68%	0.676	73%	0.732	S	S	*	*			trans	-60	86.3	162.1	-98.5	45.5	0	0	0	107.7	E198 Q202	E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 2.99Å; H200-Q202 PolarHBondContact O-N 3.24Å
201	T	28.3	Very low	31.8	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	73%	0.732	S	S	*	*			trans	-68.5	75.4	152.9	41	0	0	0	0	107.7	E199 G203	E199-T201 PolarHBondContact O-N 2.93Å; T201-G203 PolarHBondContact O-N 2.68Å
202	Q	28.8	Very low	31.8	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	75%	0.752	S	S	*	*			trans	-79.8	97.3	160.2	-89.4	-173.3	-6.2	0	0	108.6	H200	H200-Q202 PolarHBondContact O-N 3.24Å
203	G	30.6	Very low	31.8	Very low	72 Å²	72	148.7 Å²	148.7	74%	0.742	76%	0.764	S	S	*	*	S	Bend	trans	76.6	72.1	148.3	0	0	0	0	0	116.1	T201	T201-G203 PolarHBondContact O-N 2.68Å
204	K	31.2	Very low	31.9	Very low	206 Å²	206	150 Å²	150	90%	0.896	76%	0.759	S	S	*	*			trans	-146.4	124.1	138.9	-104.3	171.3	-173.1	-179.1	0	107.5
205	Q	28.5	Very low	32	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	76%	0.764	S	S	*	*			trans	-22	130.6	179.1	-71.9	161.2	-36.2	0	0	113.5	S207	Q205-S207 VanDerWaalsContact C-N 3.33Å; Q205-S207 PolarHBondContact O-N 2.93Å
206	D	30.2	Very low	32.4	Very low	152 Å²	152	148.2 Å²	148.2	81%	0.813	76%	0.764	S	S	*	*			trans	-36.8	104.2	153.9	-70.7	-40.5	0	0	0	108.1	F208	D206-F208 PolarHBondContact O-N 3.31Å
207	S	30.8	Very low	33.1	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	77%	0.767	S	S	*	*			trans	-65.9	90.6	162.1	171.1	0	0	0	0	104.1	Q205 D209	Q205-S207 VanDerWaalsContact C-N 3.33Å; Q205-S207 PolarHBondContact O-N 2.93Å; S207-D209 VanDerWaalsContact C-N 3.31Å; S207-D209 PolarHBondContact O-N 2.91Å
208	F	30.8	Very low	34.2	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.794	76%	0.756	S	S	*	*			trans	-38.8	103.7	155.8	-115.4	-99	0	0	0	106.9	D206 I210	D206-F208 PolarHBondContact O-N 3.31Å; F208-I210 VanDerWaalsContact C-N 3.32Å; F208-I210 PolarHBondContact O-N 2.89Å
209	D	36	Very low	35.7	Very low	109 Å²	109	141.6 Å²	141.6	58%	0.583	75%	0.752	S	S	*	*			trans	-73.4	97.2	174.3	-131.4	-16.8	0	0	0	105.1	S207 F211 E212	S207-D209 VanDerWaalsContact C-N 3.31Å; S207-D209 PolarHBondContact O-N 2.91Å; D209-F211 PolarHBondContact O-N 3.42Å; D209-E212 PolarHBondContact O-N 2.77Å; D209-E212 VanDerWaalsContact O-N 3.11Å
210	I	38.4	Very low	37.6	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-58.7	-7.2	-176.7	-69.6	170	0	0	0	112	F208	F208-I210 VanDerWaalsContact C-N 3.32Å; F208-I210 PolarHBondContact O-N 2.89Å
211	F	36.7	Very low	39.6	Very low	161 Å²	161	128.7 Å²	128.7	71%	0.706	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-94	-0	178.9	-60.9	-74.1	0	0	0	114.9	D209 D213	D209-F211 PolarHBondContact O-N 3.42Å; F211-D213 PolarHBondContact O-N 3.29Å
212	E	41.9	Very low	41.7	Very low	176 Å²	176	124 Å²	124	82%	0.822	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-68.1	-18.1	168.9	-80.9	-166.2	154.2	0	0	113	D209	D209-E212 PolarHBondContact O-N 2.77Å; D209-E212 VanDerWaalsContact O-N 3.11Å
213	D	35.4	Very low	43.6	Very low	161 Å²	161	115.9 Å²	115.9	86%	0.861	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-91.1	-0.1	-178.8	-112.2	-6.2	0	0	0	114.6	F211	F211-D213 PolarHBondContact O-N 3.29Å
214	E	37.6	Very low	45.7	Very low	156 Å²	156	113.2 Å²	113.2	73%	0.729	59%	0.594	S	S	*	*	S	Bend	trans	-110	57.5	172	-72.2	-149.7	171.7	0	0	112.6	L216	E214-L216 PolarHBondContact O-N 3.17Å
215	G	36.9	Very low	47.8	Very low	78 Å²	78	106 Å²	106	80%	0.804	56%	0.563	S	S	*	*			trans	52.3	8.8	141.3	0	0	0	0	0	121
216	L	40.3	Very low	50.1	Low	150 Å²	150	98.5 Å²	98.5	79%	0.785	53%	0.529	S	S	*	.			trans	-105.3	116.6	176.3	-75	168.9	0	0	0	108.3	E214 T218	E214-L216 PolarHBondContact O-N 3.17Å; L216-T218 PolarHBondContact O-N 3.42Å
217	P	44.1	Very low	52.7	Low	122 Å²	122	95 Å²	95	79%	0.792	51%	0.508	S	S	*	.			trans	-64.5	108.7	177.2	25.3	-30.9	0	0	0	108.7	Q219	P217-Q219 PolarHBondContact O-N 3.21Å
218	T	51.4	Low	55.5	Low	96 Å²	96	90.6 Å²	90.6	59%	0.589	48%	0.477	S	S	*	.			trans	-62.7	101.6	174	-21	0	0	0	0	107.6	L216 V220	L216-T218 PolarHBondContact O-N 3.42Å; T218-V220 PolarHBondContact O-N 3.09Å; T218-V220 VanDerWaalsContact O-N 3.13Å
219	Q	58.9	Low	58.5	Low	110 Å²	110	84 Å²	84	51%	0.514	45%	0.447	S	S	.	.			trans	-68.9	114.2	-176.7	-163.7	167	20.4	0	0	108.6	P217 Q670	P217-Q219 PolarHBondContact O-N 3.21Å; Q219-Q670 WeakPolarHBondContact O-CB 3.43Å; Q219-Q670 PolarHBondContact O-N 3.26Å
220	V	67.1	Low	61.2	Low	34 Å²	34	83.1 Å²	83.1	21%	0.206	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.5	-176.8	177.6	0	0	0	0	110.1	T218 R667	T218-V220 PolarHBondContact O-N 3.09Å; T218-V220 VanDerWaalsContact O-N 3.13Å; V220-R667 HydrophobicContact CG1-CG 3.33Å; V220-R667 VanDerWaalsContact CG1-NE 3.31Å
221	V	68.6	Low	63.8	Low	6 Å²	6	77.2 Å²	77.2	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.3	175.7	176.4	0	0	0	0	109.5	Q3 A5 M668 Q670	Q3-V221 HydrophobicContact CB-CG2 4.36Å; Q3-V221 WeakPolarHBondContact O-CA 3.43Å; Q3-V221 WeakPolarHBondContact O-CG1 3.23Å; A5-V221 HydrophobicContact CB-CG1 3.72Å; V221-M668 PolarHBondContact N-O 2.97Å; V221-M668 PolarHBondContact O-N 2.87Å; V221-Q670 HydrophobicContact CG2-CB 3.69Å; V221-Q670 HydrophobicContact CG2-CG 3.9Å
222	Y	70.6	Confident	66.6	Low	30 Å²	30	69.6 Å²	69.6	12%	0.118	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.7	175.4	-65.3	-81	0	0	0	110.4	P2 Q3 T4 A5 Y185 V665 R666 R667	P2-Y222 HydrophobicContact CB-CD2 3.82Å; P2-Y222 HydrophobicContact CB-CE2 3.53Å; P2-Y222 HydrophobicContact CG-CD2 4.27Å; P2-Y222 HydrophobicContact CG-CE2 3.85Å; Q3-Y222 PolarHBondContact O-N 2.97Å; T4-Y222 WeakPolarHBondContact CA-O 3.45Å; A5-Y222 PolarHBondContact N-O 3.06Å; Y185-Y222 AromaticContact CD2-CD1 3.94Å; Y185-Y222 HydrophobicContact CD2-CD1 3.94Å; Y185-Y222 AromaticContact CD2-CD2 3.85Å; Y185-Y222 HydrophobicContact CD2-CD2 3.85Å; Y185-Y222 AromaticContact CD2-CE1 3.68Å; Y185-Y222 HydrophobicContact CD2-CE1 3.68Å; Y185-Y222 AromaticContact CD2-CE2 3.59Å; Y185-Y222 HydrophobicContact CD2-CE2 3.59Å; Y185-Y222 HydrophobicContact CD2-CG 4.02Å; Y185-Y222 AromaticContact CD2-CZ 3.48Å; Y185-Y222 VanDerWaalsContact CD2-CZ 3.48Å; Y185-Y222 AromaticContact CE2-CD1 3.73Å; Y185-Y222 HydrophobicContact CE2-CD1 3.73Å; Y185-Y222 HydrophobicContact CE2-CD2 4.36Å; Y185-Y222 AromaticContact CE2-CE1 3.16Å; Y185-Y222 HydrophobicContact CE2-CE1 3.16Å; Y185-Y222 AromaticContact CE2-CE2 3.88Å; Y185-Y222 HydrophobicContact CE2-CE2 3.88Å; Y185-Y222 HydrophobicContact CE2-CG 4.29Å; Y185-Y222 AromaticContact CE2-CZ 3.24Å; Y185-Y222 WeakPolarHBondContact CE2-OH 3.28Å; Y185-Y222 HydrophobicContact CG-CD2 4.46Å; Y185-Y222 AromaticContact CG-CE2 3.99Å; Y185-Y222 HydrophobicContact CG-CE2 3.99Å; Y185-Y222 AromaticContact CZ-CE1 3.84Å; Y185-Y222 AromaticContact CZ-CZ 3.66Å; Y222-V665 HydrophobicContact CD1-CG1 4.03Å; Y222-V665 HydrophobicContact CG-CG1 4.46Å; Y222-R666 CarbonylContact C-O 3.42Å; Y222-R666 WeakPolarHBondContact CA-O 3.45Å; Y222-R667 HydrophobicContact CD1-CB 4.43Å; Y222-R667 HydrophobicContact CE1-CB 4.25Å; Y222-R667 HydrophobicContact CE1-CG 4.22Å
223	G	68.9	Low	69.2	Low	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.1	173.1	0	0	0	0	0	110.8	A5 R666	A5-G223 CarbonylContact O-C 3.55Å; A5-G223 WeakPolarHBondContact O-CA 3.5Å; G223-R666 PolarHBondContact N-O 2.87Å; G223-R666 PolarHBondContact O-N 3.06Å
224	L	75.3	Confident	72.1	Confident	17 Å²	17	54 Å²	54	9%	0.089	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.1	175.2	-66.6	175.9	0	0	0	110.8	A5 V7 L181 W188 I663 V665	A5-L224 PolarHBondContact O-N 2.85Å; V7-L224 PolarHBondContact N-O 3.17Å; V7-L224 VanDerWaalsContact N-O 3.16Å; L181-L224 HydrophobicContact CD2-CD1 3.87Å; W188-L224 HydrophobicContact CE3-CD2 4.49Å; W188-L224 HydrophobicContact CH2-CD1 3.51Å; W188-L224 HydrophobicContact CH2-CD2 3.65Å; W188-L224 HydrophobicContact CH2-CG 3.94Å; W188-L224 HydrophobicContact CZ2-CD1 3.8Å; W188-L224 HydrophobicContact CZ2-CD2 4.01Å; W188-L224 HydrophobicContact CZ2-CG 4.48Å; W188-L224 HydrophobicContact CZ3-CD1 4.48Å; W188-L224 HydrophobicContact CZ3-CD2 3.93Å; W188-L224 HydrophobicContact CZ3-CG 4.48Å; L224-I663 HydrophobicContact CD2-CG2 3.94Å; L224-V665 HydrophobicContact CD2-CB 4.36Å; L224-V665 HydrophobicContact CD2-CG1 4.23Å; L224-V665 HydrophobicContact CD2-CG2 3.71Å
225	Q	74.6	Confident	74.9	Confident	54 Å²	54	46.6 Å²	46.6	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.5	168.5	-174.8	175.3	29.9	0	0	109.2	K664	Q225-K664 HydrophobicContact CB-CB 4.33Å; Q225-K664 PolarHBondContact N-O 2.93Å; Q225-K664 PolarHBondContact O-N 3.36Å
226	N	77.8	Confident	77.7	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.171	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.9	-178.1	-177.4	42.6	0	0	0	111.7	D169 H172 Y176 L180	D169-N226 PolarHBondContact OD2-ND2 2.77Å; H172-N226 PolarHBondContact CD2-ND2 3.18Å; H172-N226 PolarHBondContact NE2-ND2 3.44Å; Y176-N226 VanDerWaalsContact CE1-ND2 3.33Å; Y176-N226 WeakPolarHBondContact CE1-ND2 3.47Å; L180-N226 HydrophobicContact CD1-CB 4.37Å
227	E	84.6	Confident	80.3	Confident	79 Å²	79	41.3 Å²	41.3	37%	0.369	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-77.5	131.2	164.8	-73.6	-158.2	145.8	0	0	111.2	H172 T662	H172-E227 PolarHBondContact NE2-O 3.28Å; E227-T662 WeakPolarHBondContact CG-O 3.37Å; E227-T662 PolarHBondContact N-O 3.19Å
228	P	90.4	Very high	82.7	Confident	12 Å²	12	35.7 Å²	35.7	8%	0.078	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-69.1	151.4	-178.6	35	-41.8	0	0	0	111.2	D169 S171 Y230 V233 Y253	D169-P228 WeakPolarHBondContact OD2-CA 3.41Å; S171-P228 WeakPolarHBondContact OG-CA 3.37Å; P228-Y230 HydrophobicContact CG-CE2 4.34Å; P228-Y230 PolarHBondContact O-N 2.56Å; P228-V233 HydrophobicContact CB-CG2 3.75Å; P228-V233 HydrophobicContact CG-CG2 4.19Å; P228-Y253 HydrophobicContact CB-CD2 3.82Å; P228-Y253 HydrophobicContact CB-CE2 4.17Å; P228-Y253 HydrophobicContact CB-CG 4.27Å; P228-Y253 HydrophobicContact CG-CD2 3.61Å; P228-Y253 HydrophobicContact CG-CE1 4.4Å; P228-Y253 HydrophobicContact CG-CE2 3.45Å; P228-Y253 VanDerWaalsContact CG-CE2 3.45Å; P228-Y253 HydrophobicContact CG-CG 4.17Å
229	Y	92.9	Very high	84.8	Confident	43 Å²	43	31.2 Å²	31.2	17%	0.169	15%	0.147	C	C	.	.			trans	-75.5	98	171.7	-160.8	-109.4	0	0	0	111.2	S171 H172 K231 Y232 R371	S171-Y229 PolarHBondContact OG-N 3.47Å; H172-Y229 AromaticContact CE1-CD2 3.87Å; H172-Y229 PolarHBondContact NE2-N 3.12Å; Y229-K231 HydrophobicContact CD1-CB 3.46Å; Y229-K231 VanDerWaalsContact CD1-CB 3.46Å; Y229-K231 HydrophobicContact CE1-CB 3.24Å; Y229-K231 HydrophobicContact CE1-CD 3.76Å; Y229-K231 HydrophobicContact CE1-CG 4.12Å; Y229-K231 PolarHBondContact O-N 2.73Å; Y229-Y232 AromaticContact CD1-CD2 3.52Å; Y229-Y232 HydrophobicContact CD1-CD2 3.52Å; Y229-Y232 AromaticContact CD1-CE2 3.69Å; Y229-Y232 HydrophobicContact CD1-CE2 3.69Å; Y229-Y232 HydrophobicContact CE1-CD2 4.15Å; Y229-Y232 AromaticContact CE1-CE2 3.86Å; Y229-Y232 HydrophobicContact CE1-CE2 3.86Å; Y229-Y232 PolarHBondContact O-N 2.88Å; Y229-R371 VanDerWaalsContact CE2-NH1 3.29Å
230	Y	92.3	Very high	86.3	Confident	90 Å²	90	30.7 Å²	30.7	35%	0.353	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.8	-173.1	-84.9	-81.3	0	0	0	115.4	P228 Y232 V233 K243 S281	P228-Y230 HydrophobicContact CG-CE2 4.34Å; P228-Y230 PolarHBondContact O-N 2.56Å; Y230-Y232 PolarHBondContact O-N 3.09Å; Y230-V233 PolarHBondContact O-N 3.08Å; Y230-K243 WeakPolarHBondContact OH-CE 3.16Å; Y230-K243 PolarHBondContact OH-NZ 3.19Å; Y230-S281 PolarHBondContact O-OG 3.42Å
231	K	94.1	Very high	87.4	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.065	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32	174.6	-163.4	174.9	-169.8	172	0	112.8	Y229 S280 S281 K282 E302	Y229-K231 HydrophobicContact CD1-CB 3.46Å; Y229-K231 VanDerWaalsContact CD1-CB 3.46Å; Y229-K231 HydrophobicContact CE1-CB 3.24Å; Y229-K231 HydrophobicContact CE1-CD 3.76Å; Y229-K231 HydrophobicContact CE1-CG 4.12Å; Y229-K231 PolarHBondContact O-N 2.73Å; K231-S280 WeakPolarHBondContact CG-OG 3.34Å; K231-S280 CarbonylContact O-C 2.87Å; K231-S280 VanDerWaalsContact O-CA 3.29Å; K231-S280 WeakPolarHBondContact O-CA 3.4Å; K231-S281 PolarHBondContact O-N 2.88Å; K231-S281 PolarHBondContact O-OG 2.88Å; K231-S281 VanDerWaalsContact O-OG 3.12Å; K231-K282 HydrophobicContact CG-CB 4.44Å; K231-K282 HydrophobicContact CG-CG 4.04Å; K231-E302 WeakPolarHBondContact CE-OE2 3.38Å; K231-E302 VanDerWaalsContact NZ-CD 3.31Å; K231-E302 IonicContact NZ-OE1 3.03Å; K231-E302 PolarHBondContact NZ-OE1 3.07Å; K231-E302 IonicContact NZ-OE2 2.61Å; K231-E302 PolarHBondContact NZ-OE2 2.85Å
232	Y	96.1	Very high	88.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.3	-179.5	-60.9	-60.7	0	0	0	113.7	S171 Y229 Y230 W234 R278 E304	S171-Y232 WeakPolarHBondContact O-CD2 3.44Å; Y229-Y232 AromaticContact CD1-CD2 3.52Å; Y229-Y232 HydrophobicContact CD1-CD2 3.52Å; Y229-Y232 AromaticContact CD1-CE2 3.69Å; Y229-Y232 HydrophobicContact CD1-CE2 3.69Å; Y229-Y232 HydrophobicContact CE1-CD2 4.15Å; Y229-Y232 AromaticContact CE1-CE2 3.86Å; Y229-Y232 HydrophobicContact CE1-CE2 3.86Å; Y229-Y232 PolarHBondContact O-N 2.88Å; Y230-Y232 PolarHBondContact O-N 3.09Å; Y232-W234 PolarHBondContact O-N 3.31Å; Y232-R278 HydrophobicContact CD1-CB 3.61Å; Y232-R278 HydrophobicContact CE1-CB 4.08Å; Y232-R278 VanDerWaalsContact CE1-O 3.28Å; Y232-R278 WeakPolarHBondContact CE1-O 3.45Å; Y232-R278 HydrophobicContact CG-CB 3.87Å; Y232-E304 HydrophobicContact CE1-CB 4.22Å; Y232-E304 HydrophobicContact CE2-CB 4.39Å; Y232-E304 VanDerWaalsContact CE2-OE2 3.29Å; Y232-E304 WeakPolarHBondContact CE2-OE2 3.26Å; Y232-E304 PolarHBondContact OH-OE2 3Å
233	V	96.5	Very high	89.3	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	17%	0.166	C	C	.	.			trans	-81.1	114.8	175.7	-180	0	0	0	0	109.5	P228 Y230 Y253 S281	P228-V233 HydrophobicContact CB-CG2 3.75Å; P228-V233 HydrophobicContact CG-CG2 4.19Å; Y230-V233 PolarHBondContact O-N 3.08Å; V233-Y253 HydrophobicContact CG1-CD1 3.41Å; V233-Y253 VanDerWaalsContact CG1-CD1 3.41Å; V233-Y253 HydrophobicContact CG1-CE1 4.21Å; V233-Y253 HydrophobicContact CG1-CG 4Å; V233-Y253 HydrophobicContact CG2-CD1 4.39Å; V233-Y253 HydrophobicContact CG2-CG 4.3Å; V233-S281 PolarHBondContact O-OG 3.12Å; V233-S281 VanDerWaalsContact O-OG 3.13Å
234	W	96	Very high	90.3	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.023	20%	0.203	C	C	.	.	S	Bend	trans	-85.1	-32.9	-176.4	-91.4	66.9	0	0	0	113.8	F162 Y232 I254 H256 R279 A284 F598 L599	F162-W234 HydrophobicContact CE1-CB 3.96Å; F162-W234 AromaticContact CE1-CD2 3.98Å; F162-W234 HydrophobicContact CE1-CD2 3.98Å; F162-W234 AromaticContact CE1-CE3 3.83Å; F162-W234 HydrophobicContact CE1-CE3 3.83Å; F162-W234 HydrophobicContact CE1-CG 4.03Å; F162-W234 HydrophobicContact CZ-CD2 4.49Å; F162-W234 AromaticContact CZ-CE3 3.96Å; F162-W234 HydrophobicContact CZ-CE3 3.96Å; F162-W234 HydrophobicContact CZ-CZ3 4.42Å; Y232-W234 PolarHBondContact O-N 3.31Å; W234-I254 HydrophobicContact CB-CG1 4.14Å; W234-I254 PolarHBondContact N-O 2.87Å; W234-H256 HydrophobicContact CD2-CB 3.58Å; W234-H256 AromaticContact CE2-CG 3.96Å; W234-H256 AromaticContact CE2-ND1 3.77Å; W234-H256 HydrophobicContact CE3-CB 4.29Å; W234-H256 HydrophobicContact CG-CB 3.74Å; W234-H256 AromaticContact CH2-ND1 3.54Å; W234-H256 HydrophobicContact CZ2-CB 3.97Å; W234-H256 AromaticContact CZ2-ND1 3.38Å; W234-H256 WeakPolarHBondContact CZ2-ND1 3.43Å; W234-R279 HydrophobicContact CZ2-CG 3.93Å; W234-R279 PolarHBondContact NE1-O 2.84Å; W234-A284 HydrophobicContact CH2-CB 4.17Å; W234-A284 HydrophobicContact CZ2-CB 4.18Å; W234-F598 HydrophobicContact CB-CE1 4.22Å; W234-F598 HydrophobicContact CE3-CD1 4.04Å; W234-F598 HydrophobicContact CE3-CE1 4.02Å; W234-F598 WeakPolarHBondContact O-CE1 3.29Å; W234-L599 HydrophobicContact CD2-CD2 4.23Å; W234-L599 HydrophobicContact CE3-CD2 3.88Å; W234-L599 HydrophobicContact CZ3-CD2 4.29Å; W234-L599 HydrophobicContact CZ3-CG 4.5Å; W234-L599 WeakPolarHBondContact O-CD2 3.33Å
235	N	96.2	Very high	90.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-96.6	13.3	-179.3	65.8	-33.6	0	0	0	113.7	V95 K237 L238 L239 M252 I254	V95-N235 HydrophobicContact CG1-CB 4.09Å; V95-N235 VanDerWaalsContact O-CB 3.3Å; V95-N235 WeakPolarHBondContact O-CB 3.43Å; V95-N235 PolarHBondContact O-ND2 2.8Å; N235-K237 VanDerWaalsContact C-N 3.33Å; N235-K237 PolarHBondContact O-N 3.18Å; N235-L238 HydrophobicContact CB-CD1 4.31Å; N235-L238 WeakPolarHBondContact O-CB 3.48Å; N235-L238 PolarHBondContact O-N 2.8Å; N235-L239 WeakPolarHBondContact ND2-CD1 3.42Å; N235-L239 PolarHBondContact O-N 2.93Å; N235-M252 PolarHBondContact ND2-O 3.19Å; N235-I254 HydrophobicContact CB-CD1 4.02Å; N235-I254 HydrophobicContact CB-CG1 3.98Å; N235-I254 PolarHBondContact OD1-N 2.99Å
236	G	94.9	Very high	91.7	Very high	11 Å²	11	45.1 Å²	45.1	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-43.2	-172.4	0	0	0	0	0	112.8	L239 E240	G236-L239 PolarHBondContact O-N 2.9Å; G236-E240 PolarHBondContact O-N 3.43Å; G236-E240 VanDerWaalsContact O-N 3.1Å
237	K	94.6	Very high	92.2	Very high	106 Å²	106	45.2 Å²	45.2	46%	0.461	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-27.6	177.1	-69.4	-59.3	-169.6	179.3	0	114	N235 L239 E240 Q600	N235-K237 VanDerWaalsContact C-N 3.33Å; N235-K237 PolarHBondContact O-N 3.18Å; K237-L239 VanDerWaalsContact C-N 3.25Å; K237-L239 PolarHBondContact O-N 2.95Å; K237-E240 WeakPolarHBondContact CD-OE2 3.39Å; K237-E240 IonicContact NZ-OE1 2.94Å; K237-E240 PolarHBondContact NZ-OE1 2.85Å; K237-E240 IonicContact NZ-OE2 3.3Å; K237-E240 PolarHBondContact NZ-OE2 3.03Å; K237-Q600 HydrophobicContact CB-CB 3.84Å; K237-Q600 HydrophobicContact CB-CG 3.97Å; K237-Q600 HydrophobicContact CG-CB 4.46Å
238	L	95.4	Very high	92.3	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-73.4	-20.6	174.9	-56	177.5	0	0	0	112.4	V95 F97 V98 F153 N235 F598 Q600	V95-L238 HydrophobicContact CG1-CD1 4.17Å; F97-L238 PolarHBondContact N-O 2.88Å; V98-L238 HydrophobicContact CB-CD2 4.13Å; V98-L238 HydrophobicContact CG2-CD2 4.44Å; F153-L238 HydrophobicContact CZ-CD1 4.45Å; N235-L238 HydrophobicContact CB-CD1 4.31Å; N235-L238 WeakPolarHBondContact O-CB 3.48Å; N235-L238 PolarHBondContact O-N 2.8Å; L238-F598 HydrophobicContact CD1-CD2 4.22Å; L238-F598 HydrophobicContact CD1-CE1 4.36Å; L238-F598 HydrophobicContact CD1-CE2 3.71Å; L238-F598 HydrophobicContact CD1-CZ 3.8Å; L238-Q600 HydrophobicContact CD2-CG 3.8Å
239	L	94.8	Very high	92.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-100.5	-12.7	177.6	-64.9	176.1	0	0	0	113.4	I94 N235 G236 K237 R241 I242 K243 L251 Y253	I94-L239 HydrophobicContact CG2-CD2 4.41Å; N235-L239 WeakPolarHBondContact ND2-CD1 3.42Å; N235-L239 PolarHBondContact O-N 2.93Å; G236-L239 PolarHBondContact O-N 2.9Å; K237-L239 VanDerWaalsContact C-N 3.25Å; K237-L239 PolarHBondContact O-N 2.95Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 2.76Å; L239-I242 HydrophobicContact CD2-CD1 3.87Å; L239-I242 HydrophobicContact CD2-CG1 4.31Å; L239-I242 WeakPolarHBondContact O-CG1 3.35Å; L239-I242 PolarHBondContact O-N 3.28Å; L239-K243 PolarHBondContact O-N 3.29Å; L239-L251 HydrophobicContact CB-CD2 4.44Å; L239-L251 HydrophobicContact CD2-CD2 4.31Å; L239-Y253 HydrophobicContact CD1-CD1 4.01Å; L239-Y253 HydrophobicContact CD1-CE1 3.91Å
240	E	91.6	Very high	92	Very high	98 Å²	98	41.8 Å²	41.8	46%	0.458	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-41.1	-172.5	-173.6	168.6	-136.2	0	0	112.9	G236 K237 I242	G236-E240 PolarHBondContact O-N 3.43Å; G236-E240 VanDerWaalsContact O-N 3.1Å; K237-E240 WeakPolarHBondContact CD-OE2 3.39Å; K237-E240 IonicContact NZ-OE1 2.94Å; K237-E240 PolarHBondContact NZ-OE1 2.85Å; K237-E240 IonicContact NZ-OE2 3.3Å; K237-E240 PolarHBondContact NZ-OE2 3.03Å; E240-I242 VanDerWaalsContact C-N 3.26Å; E240-I242 PolarHBondContact O-N 3.04Å
241	R	88.6	Confident	92	Very high	137 Å²	137	38.5 Å²	38.5	52%	0.517	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.2	-179.7	-64.8	-174	-175.2	-120.8	5	114.2	Y104 L239 I245	Y104-R241 PolarHBondContact OH-NH1 3.01Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 2.76Å; R241-I245 WeakPolarHBondContact O-CD1 3.36Å
242	I	90.9	Very high	91.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-16.1	-176.1	64.1	155.2	0	0	0	112.9	L48 I50 F97 L239 E240 D244 I245 V246 L251	L48-I242 HydrophobicContact CD2-CG2 4.13Å; I50-I242 HydrophobicContact CD1-CG2 3.45Å; I50-I242 VanDerWaalsContact CD1-CG2 3.45Å; F97-I242 HydrophobicContact CD2-CD1 4.02Å; F97-I242 HydrophobicContact CD2-CG1 4.37Å; F97-I242 HydrophobicContact CD2-CG2 3.84Å; F97-I242 HydrophobicContact CE2-CD1 3.69Å; F97-I242 HydrophobicContact CE2-CG1 4.45Å; F97-I242 HydrophobicContact CE2-CG2 4Å; L239-I242 HydrophobicContact CD2-CD1 3.87Å; L239-I242 HydrophobicContact CD2-CG1 4.31Å; L239-I242 WeakPolarHBondContact O-CG1 3.35Å; L239-I242 PolarHBondContact O-N 3.28Å; E240-I242 VanDerWaalsContact C-N 3.26Å; E240-I242 PolarHBondContact O-N 3.04Å; I242-D244 PolarHBondContact O-N 3.08Å; I242-D244 VanDerWaalsContact O-N 3.07Å; I242-I245 PolarHBondContact O-N 3.04Å; I242-V246 HydrophobicContact CB-CG1 4.3Å; I242-V246 HydrophobicContact CB-CG2 4.37Å; I242-V246 HydrophobicContact CD1-CG2 4.03Å; I242-V246 HydrophobicContact CG1-CG2 4.43Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.42Å; I242-L251 HydrophobicContact CD1-CD2 3.78Å; I242-L251 HydrophobicContact CG1-CD2 4.01Å
243	K	89.5	Confident	91.9	Very high	67 Å²	67	41 Å²	41	29%	0.291	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-39.2	-173.5	-176.2	-175.3	175.6	-172.5	0	112.6	Y230 L239 L251	Y230-K243 WeakPolarHBondContact OH-CE 3.16Å; Y230-K243 PolarHBondContact OH-NZ 3.19Å; L239-K243 PolarHBondContact O-N 3.29Å; K243-L251 HydrophobicContact CB-CD1 4.33Å; K243-L251 HydrophobicContact CG-CD1 3.92Å
244	D	88.4	Confident	91.9	Very high	148 Å²	148	40.8 Å²	40.8	79%	0.791	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.1	-176.4	-53.8	-36.6	0	0	0	113.4	I242	I242-D244 PolarHBondContact O-N 3.08Å; I242-D244 VanDerWaalsContact O-N 3.07Å
245	I	89.4	Confident	92	Very high	80 Å²	80	40.7 Å²	40.7	41%	0.41	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-43.3	-175.7	-57.6	175.3	0	0	0	111	I50 R241 I242	I50-I245 WeakPolarHBondContact O-CG2 3.41Å; R241-I245 WeakPolarHBondContact O-CD1 3.36Å; I242-I245 PolarHBondContact O-N 3.04Å
246	V	90.3	Very high	91.9	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	20%	0.198	C	C	.	.	S	Bend	trans	-99.3	154.3	-171.2	-53.6	0	0	0	0	112	L38 I50 I242 W250 L251	L38-V246 HydrophobicContact CD1-CG1 4.28Å; L38-V246 HydrophobicContact CD2-CB 4.16Å; L38-V246 HydrophobicContact CD2-CG1 3.62Å; I50-V246 HydrophobicContact CG2-CG1 3.88Å; I242-V246 HydrophobicContact CB-CG1 4.3Å; I242-V246 HydrophobicContact CB-CG2 4.37Å; I242-V246 HydrophobicContact CD1-CG2 4.03Å; I242-V246 HydrophobicContact CG1-CG2 4.43Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.42Å; V246-W250 HydrophobicContact CB-CB 4.3Å; V246-W250 HydrophobicContact CB-CG 4.37Å; V246-W250 HydrophobicContact CG2-CB 3.83Å; V246-W250 HydrophobicContact CG2-CG 4.43Å; V246-L251 HydrophobicContact CG2-CD2 3.83Å; V246-L251 HydrophobicContact CG2-CG 4.25Å
247	H	88.9	Confident	91.9	Very high	35 Å²	35	40.9 Å²	40.9	16%	0.162	19%	0.192	C	C	.	.			trans	-57.6	140.7	171.7	-170.1	-92.7	0	0	0	111.4	D52 D249 W250	D52-H247 WeakPolarHBondContact OD2-CB 3.45Å; D52-H247 PolarHBondContact OD2-N 3.33Å; H247-D249 IonicContact CE1-OD1 2.86Å; H247-D249 IonicContact CE1-OD2 3.23Å; H247-D249 PolarHBondContact CE1-OD2 2.85Å; H247-D249 PolarHBondContact ND1-N 3.24Å; H247-D249 IonicContact ND1-OD1 3.61Å; H247-D249 IonicContact ND1-OD2 2.79Å; H247-D249 PolarHBondContact ND1-OD2 2.93Å; H247-D249 PolarHBondContact O-N 3.41Å; H247-W250 WeakPolarHBondContact O-CB 3.43Å; H247-W250 PolarHBondContact O-N 2.83Å
248	P	86.6	Confident	92	Very high	36 Å²	36	36.5 Å²	36.5	23%	0.234	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-54.4	-27.9	-177.3	-29.7	35.8	0	0	0	115.6	W250 L251	P248-W250 PolarHBondContact O-N 2.86Å; P248-L251 WeakPolarHBondContact O-CB 3.45Å; P248-L251 PolarHBondContact O-N 2.93Å
249	D	87.2	Confident	92	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.5	-24.5	177	-61.7	-20.6	0	0	0	113.3	S9 I11 R36 H247 L251	S9-D249 PolarHBondContact OG-O 3.41Å; I11-D249 HydrophobicContact CB-CB 4.38Å; I11-D249 HydrophobicContact CD1-CB 3.93Å; I11-D249 HydrophobicContact CG1-CB 3.86Å; R36-D249 IonicContact NE-OD2 3.24Å; H247-D249 IonicContact CE1-OD1 2.86Å; H247-D249 IonicContact CE1-OD2 3.23Å; H247-D249 PolarHBondContact CE1-OD2 2.85Å; H247-D249 PolarHBondContact ND1-N 3.24Å; H247-D249 IonicContact ND1-OD1 3.61Å; H247-D249 IonicContact ND1-OD2 2.79Å; H247-D249 PolarHBondContact ND1-OD2 2.93Å; H247-D249 PolarHBondContact O-N 3.41Å; D249-L251 VanDerWaalsContact C-N 3.26Å
250	W	90.6	Very high	91.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-73.9	-21.2	174.8	-67.9	109	0	0	0	112.6	I11 M14 L25 G27 R36 L38 I94 V246 H247 P248	I11-W250 HydrophobicContact CD1-CD2 3.2Å; I11-W250 HydrophobicContact CD1-CE3 3.6Å; I11-W250 HydrophobicContact CD1-CG 3.69Å; I11-W250 HydrophobicContact CD1-CH2 3.98Å; I11-W250 HydrophobicContact CD1-CZ2 3.61Å; I11-W250 HydrophobicContact CD1-CZ3 3.97Å; I11-W250 HydrophobicContact CG2-CE3 4.35Å; I11-W250 HydrophobicContact CG2-CZ3 4.25Å; M14-W250 HydrophobicContact CE-CD2 4.43Å; M14-W250 HydrophobicContact CE-CE3 3.16Å; M14-W250 HydrophobicContact CE-CZ3 3.3Å; M14-W250 HydrophobicContact CG-CZ3 4.3Å; L25-W250 HydrophobicContact CD2-CE3 4.19Å; L25-W250 HydrophobicContact CD2-CH2 4.4Å; L25-W250 HydrophobicContact CD2-CZ3 3.61Å; L25-W250 HydrophobicContact CG-CH2 4.18Å; L25-W250 HydrophobicContact CG-CZ3 3.77Å; L25-W250 WeakPolarHBondContact O-CH2 3.39Å; G27-W250 VanDerWaalsContact N-CH2 3.29Å; R36-W250 HydrophobicContact CB-CZ2 3.78Å; L38-W250 HydrophobicContact CB-CH2 4.37Å; L38-W250 HydrophobicContact CB-CZ2 4.23Å; L38-W250 HydrophobicContact CD1-CB 4.38Å; L38-W250 HydrophobicContact CD1-CD2 3.25Å; L38-W250 VanDerWaalsContact CD1-CE2 3.47Å; L38-W250 HydrophobicContact CD1-CE3 3.44Å; L38-W250 VanDerWaalsContact CD1-CE3 3.44Å; L38-W250 HydrophobicContact CD1-CG 3.69Å; L38-W250 HydrophobicContact CD1-CH2 4.01Å; L38-W250 HydrophobicContact CD1-CZ2 3.87Å; L38-W250 HydrophobicContact CD1-CZ3 3.83Å; L38-W250 HydrophobicContact CG-CD2 3.79Å; L38-W250 HydrophobicContact CG-CE3 4.22Å; L38-W250 HydrophobicContact CG-CG 4.31Å; L38-W250 HydrophobicContact CG-CH2 3.97Å; L38-W250 HydrophobicContact CG-CZ2 3.51Å; L38-W250 HydrophobicContact CG-CZ3 4.32Å; I94-W250 HydrophobicContact CD1-CE3 4.1Å; V246-W250 HydrophobicContact CB-CB 4.3Å; V246-W250 HydrophobicContact CB-CG 4.37Å; V246-W250 HydrophobicContact CG2-CB 3.83Å; V246-W250 HydrophobicContact CG2-CG 4.43Å; H247-W250 WeakPolarHBondContact O-CB 3.43Å; H247-W250 PolarHBondContact O-N 2.83Å; P248-W250 PolarHBondContact O-N 2.86Å
251	L	91.8	Very high	92	Very high	22 Å²	22	32.5 Å²	32.5	12%	0.115	16%	0.157	C	C	.	.			trans	-88.8	124.4	-176.5	-53.4	177.9	0	0	0	109.3	L239 I242 K243 V246 P248 D249	L239-L251 HydrophobicContact CB-CD2 4.44Å; L239-L251 HydrophobicContact CD2-CD2 4.31Å; I242-L251 HydrophobicContact CD1-CD2 3.78Å; I242-L251 HydrophobicContact CG1-CD2 4.01Å; K243-L251 HydrophobicContact CB-CD1 4.33Å; K243-L251 HydrophobicContact CG-CD1 3.92Å; V246-L251 HydrophobicContact CG2-CD2 3.83Å; V246-L251 HydrophobicContact CG2-CG 4.25Å; P248-L251 WeakPolarHBondContact O-CB 3.45Å; P248-L251 PolarHBondContact O-N 2.93Å; D249-L251 VanDerWaalsContact C-N 3.26Å
252	M	92.3	Very high	92.3	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.069	13%	0.134	C	C	.	.			trans	-133.2	123.7	176.4	-177.9	179.4	73.3	0	0	109.1	I109 F164 Y166 N235	I109-M252 HydrophobicContact CD1-CE 3.33Å; F164-M252 HydrophobicContact CB-CG 4.24Å; F164-M252 HydrophobicContact CB-SD 4.2Å; F164-M252 HydrophobicContact CD1-CE 4.08Å; F164-M252 HydrophobicContact CD1-SD 4.38Å; F164-M252 HydrophobicContact CD2-CE 3.92Å; F164-M252 HydrophobicContact CD2-CG 4.14Å; F164-M252 HydrophobicContact CD2-SD 3.16Å; F164-M252 WeakPolarHBondContact CD2-SD 3.24Å; F164-M252 HydrophobicContact CE1-CE 4.21Å; F164-M252 HydrophobicContact CE2-CE 4.05Å; F164-M252 HydrophobicContact CE2-SD 3.44Å; F164-M252 WeakPolarHBondContact CE2-SD 3.26Å; F164-M252 HydrophobicContact CG-CE 3.91Å; F164-M252 HydrophobicContact CG-CG 4.36Å; F164-M252 HydrophobicContact CG-SD 3.67Å; F164-M252 HydrophobicContact CZ-CE 4.17Å; F164-M252 HydrophobicContact CZ-SD 4.15Å; Y166-M252 HydrophobicContact CD1-SD 3.99Å; Y166-M252 HydrophobicContact CE1-SD 3.59Å; Y166-M252 VanDerWaalsContact CE1-SD 3.59Å; N235-M252 PolarHBondContact ND2-O 3.19Å
253	Y	95.3	Very high	92.3	Very high	54 Å²	54	29.2 Å²	29.2	21%	0.212	15%	0.147	C	C	.	.			trans	-93.3	134.6	-178.3	-60.1	-61	0	0	0	110.6	P228 V233 L239	P228-Y253 HydrophobicContact CB-CD2 3.82Å; P228-Y253 HydrophobicContact CB-CE2 4.17Å; P228-Y253 HydrophobicContact CB-CG 4.27Å; P228-Y253 HydrophobicContact CG-CD2 3.61Å; P228-Y253 HydrophobicContact CG-CE1 4.4Å; P228-Y253 HydrophobicContact CG-CE2 3.45Å; P228-Y253 VanDerWaalsContact CG-CE2 3.45Å; P228-Y253 HydrophobicContact CG-CG 4.17Å; V233-Y253 HydrophobicContact CG1-CD1 3.41Å; V233-Y253 VanDerWaalsContact CG1-CD1 3.41Å; V233-Y253 HydrophobicContact CG1-CE1 4.21Å; V233-Y253 HydrophobicContact CG1-CG 4Å; V233-Y253 HydrophobicContact CG2-CD1 4.39Å; V233-Y253 HydrophobicContact CG2-CG 4.3Å; L239-Y253 HydrophobicContact CD1-CD1 4.01Å; L239-Y253 HydrophobicContact CD1-CE1 3.91Å
254	I	96.8	Very high	92.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-110.5	141.3	178.9	75.3	-176.8	0	0	0	110.2	V95 I126 F162 Y163 F164 W234 N235 F598	V95-I254 HydrophobicContact CG1-CD1 4.07Å; I126-I254 HydrophobicContact CD1-CD1 4.4Å; I126-I254 HydrophobicContact CD1-CG2 4.27Å; F162-I254 HydrophobicContact CD1-CD1 3.6Å; F162-I254 HydrophobicContact CD1-CG1 3.94Å; F162-I254 HydrophobicContact CE1-CD1 4.12Å; F162-I254 HydrophobicContact CG-CD1 4.3Å; Y163-I254 WeakPolarHBondContact O-CA 3.47Å; F164-I254 HydrophobicContact CB-CG2 4.21Å; W234-I254 HydrophobicContact CB-CG1 4.14Å; W234-I254 PolarHBondContact N-O 2.87Å; N235-I254 HydrophobicContact CB-CD1 4.02Å; N235-I254 HydrophobicContact CB-CG1 3.98Å; N235-I254 PolarHBondContact OD1-N 2.99Å; I254-F598 HydrophobicContact CD1-CZ 4.41Å
255	I	96.9	Very high	92.5	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	151.8	169.8	62.9	158.4	0	0	0	109.8	F162 Y163 L170 I276 R278	F162-I255 CarbonylContact C-O 3.6Å; F162-I255 VanDerWaalsContact CA-O 3.26Å; F162-I255 WeakPolarHBondContact CA-O 3.36Å; Y163-I255 PolarHBondContact N-O 2.97Å; Y163-I255 WeakPolarHBondContact O-CG1 3.44Å; Y163-I255 PolarHBondContact O-N 3.02Å; L170-I255 HydrophobicContact CB-CD1 3.9Å; L170-I255 HydrophobicContact CB-CG1 4.1Å; L170-I255 HydrophobicContact CB-CG2 3.96Å; L170-I255 HydrophobicContact CD1-CD1 4.11Å; L170-I255 HydrophobicContact CD1-CG1 4.08Å; I255-I276 HydrophobicContact CD1-CG2 4.19Å; I255-R278 HydrophobicContact CD1-CG 3.87Å
256	H	95.9	Very high	92.5	Very high	14 Å²	14	18.3 Å²	18.3	7%	0.065	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.5	170.2	-174.7	-135.8	0	0	0	109.3	N161 F162 W234 R279	N161-H256 WeakPolarHBondContact O-CA 3.1Å; N161-H256 PolarHBondContact O-CD2 3.33Å; N161-H256 VanDerWaalsContact O-CD2 3.29Å; F162-H256 HydrophobicContact CD1-CB 3.92Å; F162-H256 AromaticContact CD2-CD2 3.89Å; F162-H256 HydrophobicContact CE1-CB 3.63Å; F162-H256 AromaticContact CE1-CD2 3.94Å; F162-H256 AromaticContact CE1-CG 3.89Å; F162-H256 AromaticContact CE2-CD2 3.59Å; F162-H256 HydrophobicContact CZ-CB 4.13Å; F162-H256 AromaticContact CZ-CD2 3.63Å; F162-H256 AromaticContact CZ-CG 3.86Å; W234-H256 HydrophobicContact CD2-CB 3.58Å; W234-H256 AromaticContact CE2-CG 3.96Å; W234-H256 AromaticContact CE2-ND1 3.77Å; W234-H256 HydrophobicContact CE3-CB 4.29Å; W234-H256 HydrophobicContact CG-CB 3.74Å; W234-H256 AromaticContact CH2-ND1 3.54Å; W234-H256 HydrophobicContact CZ2-CB 3.97Å; W234-H256 AromaticContact CZ2-ND1 3.38Å; W234-H256 WeakPolarHBondContact CZ2-ND1 3.43Å; H256-R279 WeakPolarHBondContact O-CB 3.18Å; H256-R279 PolarHBondContact O-N 2.66Å
257	G	94.4	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-119.1	179.9	0	0	0	0	0	112.5	N161 A277 T544 Q548	N161-G257 PolarHBondContact O-N 2.71Å; G257-A277 CarbonylContact C-O 3.53Å; G257-A277 VanDerWaalsContact CA-O 3.29Å; G257-A277 WeakPolarHBondContact CA-O 3.1Å; G257-T544 VanDerWaalsContact O-CG2 3.23Å; G257-T544 WeakPolarHBondContact O-CG2 3.19Å; G257-Q548 PolarHBondContact O-NE2 3.1Å
258	F	95.7	Very high	91.9	Very high	14 Å²	14	26.9 Å²	26.9	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.5	-178.5	177.5	-99.7	0	0	0	111.1	L275 I276 A277 L537 D540 H541 T544	F258-L275 HydrophobicContact CE1-CB 4.35Å; F258-L275 HydrophobicContact CE1-CD2 4.29Å; F258-L275 HydrophobicContact CE1-CG 4.48Å; F258-I276 CarbonylContact O-C 3.54Å; F258-I276 WeakPolarHBondContact O-CA 3.17Å; F258-A277 HydrophobicContact CB-CB 4.01Å; F258-A277 PolarHBondContact N-O 2.9Å; F258-A277 PolarHBondContact O-N 3.22Å; F258-L537 HydrophobicContact CE1-CD1 4.02Å; F258-L537 HydrophobicContact CZ-CD1 4.08Å; F258-D540 HydrophobicContact CE2-CB 3.87Å; F258-D540 HydrophobicContact CZ-CB 3.87Å; F258-H541 HydrophobicContact CD1-CB 3.79Å; F258-H541 HydrophobicContact CE1-CB 3.86Å; F258-H541 HydrophobicContact CG-CB 4.23Å; F258-H541 HydrophobicContact CZ-CB 4.37Å; F258-T544 HydrophobicContact CB-CG2 4.14Å; F258-T544 HydrophobicContact CD2-CG2 4.11Å
259	C	95.8	Very high	91.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	118.2	167	-179.1	0	0	0	0	108.3	M115 Y163 L275	M115-C259 WeakPolarHBondContact CE-O 3.36Å; Y163-C259 HydrophobicContact CD1-CB 3.71Å; Y163-C259 HydrophobicContact CD2-CB 4.42Å; Y163-C259 HydrophobicContact CE1-CB 3.73Å; Y163-C259 HydrophobicContact CE2-CB 4.47Å; Y163-C259 HydrophobicContact CG-CB 4.07Å; C259-L275 WeakPolarHBondContact CA-O 3.42Å
260	G	93.5	Very high	92.1	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.1	175.1	0	0	0	0	0	110.5	T274 L275	G260-T274 CarbonylContact O-C 3.54Å; G260-T274 WeakPolarHBondContact O-CA 3.32Å; G260-T274 WeakPolarHBondContact O-CG2 3.48Å; G260-L275 PolarHBondContact N-O 3.33Å; G260-L275 PolarHBondContact O-N 2.92Å
261	Q	94.2	Very high	92.2	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.056	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.5	176.3	-171.5	172.6	53.1	0	0	108.8	A116 D117 H272 I273 T274 M698	A116-Q261 HydrophobicContact CB-CB 3.82Å; D117-Q261 PolarHBondContact O-NE2 3.22Å; Q261-H272 HydrophobicContact CG-CB 4.29Å; Q261-I273 CarbonylContact C-O 3.51Å; Q261-I273 WeakPolarHBondContact CA-O 3.37Å; Q261-T274 HydrophobicContact CB-CG2 4.26Å; Q261-T274 WeakPolarHBondContact CG-OG1 3.39Å; Q261-T274 PolarHBondContact NE2-OG1 3.41Å; Q261-M698 HydrophobicContact CB-SD 4.02Å; Q261-M698 HydrophobicContact CG-SD 3.65Å; Q261-M698 WeakPolarHBondContact O-CG 3.39Å
262	S	93.3	Very high	92.3	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.8	178.1	-61.6	0	0	0	0	110.5	I273	S262-I273 PolarHBondContact N-O 3.36Å; S262-I273 PolarHBondContact O-N 2.96Å
263	K	92.4	Very high	92.5	Very high	65 Å²	65	28.1 Å²	28.1	28%	0.283	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.7	-177.3	-177.1	171.9	-179	173.8	0	112	M698 T699 S701	K263-M698 HydrophobicContact CB-CE 3.68Å; K263-M698 HydrophobicContact CB-CG 4.49Å; K263-M698 HydrophobicContact CB-SD 4.13Å; K263-M698 HydrophobicContact CD-CE 4.16Å; K263-M698 HydrophobicContact CG-CE 4.45Å; K263-T699 PolarHBondContact N-O 2.77Å; K263-S701 PolarHBondContact O-N 3.5Å; K263-S701 PolarHBondContact O-OG 3.35Å; K263-S701 VanDerWaalsContact O-OG 3.11Å
264	L	92.1	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.8	171.8	-176.7	66.3	0	0	0	109.4	I266 V271 I273 L513 C530 S701 P716 F717	L264-I266 HydrophobicContact CD2-CD1 3.91Å; L264-I266 HydrophobicContact CD2-CG1 4.08Å; L264-I266 HydrophobicContact CG-CD1 4.36Å; L264-I266 HydrophobicContact CG-CG1 4.01Å; L264-V271 HydrophobicContact CB-CB 4.25Å; L264-V271 PolarHBondContact N-O 2.99Å; L264-V271 PolarHBondContact O-N 3.34Å; L264-I273 HydrophobicContact CB-CD1 4.4Å; L264-I273 HydrophobicContact CD2-CD1 4.29Å; L264-L513 HydrophobicContact CD2-CD2 4.46Å; L264-C530 HydrophobicContact CD1-CB 3.97Å; L264-C530 HydrophobicContact CD2-CB 4.3Å; L264-S701 WeakPolarHBondContact CA-OG 3.42Å; L264-P716 HydrophobicContact CD1-CB 3.61Å; L264-P716 HydrophobicContact CD1-CG 3.89Å; L264-P716 HydrophobicContact CG-CG 4.45Å; L264-F717 HydrophobicContact CD2-CE1 4.42Å; L264-F717 HydrophobicContact CD2-CZ 4.27Å
265	L	89.6	Confident	92.6	Very high	55 Å²	55	25.6 Å²	25.6	29%	0.288	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.3	177	-168.3	71	0	0	0	109.9	P270 S701 A702 P716	L265-P270 HydrophobicContact CD1-CB 4.45Å; L265-S701 PolarHBondContact N-OG 2.93Å; L265-A702 HydrophobicContact CB-CB 4.28Å; L265-A702 HydrophobicContact CD2-CB 3.82Å; L265-P716 WeakPolarHBondContact O-CG 3.25Å
266	I	89.6	Confident	92.6	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.062	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	98	-178.5	-53	174.2	0	0	0	107.8	L264 G268 R269 V271 M518 P716 F717	L264-I266 HydrophobicContact CD2-CD1 3.91Å; L264-I266 HydrophobicContact CD2-CG1 4.08Å; L264-I266 HydrophobicContact CG-CD1 4.36Å; L264-I266 HydrophobicContact CG-CG1 4.01Å; I266-G268 PolarHBondContact O-N 2.84Å; I266-G268 VanDerWaalsContact O-N 3.15Å; I266-R269 PolarHBondContact N-O 2.94Å; I266-R269 WeakPolarHBondContact O-CB 3.43Å; I266-R269 PolarHBondContact O-N 2.91Å; I266-V271 HydrophobicContact CD1-CB 4.46Å; I266-V271 HydrophobicContact CD1-CG2 3.77Å; I266-V271 HydrophobicContact CG1-CG2 4.39Å; I266-M518 HydrophobicContact CD1-CB 3.81Å; I266-M518 HydrophobicContact CD1-CG 4.07Å; I266-M518 HydrophobicContact CD1-SD 3.99Å; I266-P716 HydrophobicContact CG1-CG 4.08Å; I266-F717 HydrophobicContact CD1-CE2 3.87Å; I266-F717 HydrophobicContact CD1-CZ 3.61Å; I266-F717 HydrophobicContact CG1-CE2 4.04Å; I266-F717 HydrophobicContact CG1-CZ 4.07Å; I266-F717 HydrophobicContact CG2-CE2 3.96Å
267	Y	83.4	Confident	92.7	Very high	168 Å²	168	24.7 Å²	24.7	66%	0.659	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.5	-179.1	-56.2	-69.5	0	0	0	114.1	P714 S715	Y267-P714 HydrophobicContact CE1-CG 4.42Å; Y267-S715 WeakPolarHBondContact OH-CB 3.4Å
268	G	82.4	Confident	92.8	Very high	56 Å²	56	24.8 Å²	24.8	58%	0.577	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	-13.8	-178.7	0	0	0	0	0	114.9	I266 P270	I266-G268 PolarHBondContact O-N 2.84Å; I266-G268 VanDerWaalsContact O-N 3.15Å; G268-P270 VanDerWaalsContact O-CD 3.32Å; G268-P270 WeakPolarHBondContact O-CD 3.26Å
269	R	87.8	Confident	92.7	Very high	74 Å²	74	24.2 Å²	24.2	28%	0.279	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.2	172.1	-168.4	174.2	-175.5	-165.1	-0.6	110.2	I266 D311 M518	I266-R269 PolarHBondContact N-O 2.94Å; I266-R269 WeakPolarHBondContact O-CB 3.43Å; I266-R269 PolarHBondContact O-N 2.91Å; R269-D311 IonicContact CZ-OD2 3.74Å; R269-D311 VanDerWaalsContact NE-CG 3.33Å; R269-D311 IonicContact NE-OD1 2.8Å; R269-D311 IonicContact NE-OD2 2.56Å; R269-D311 PolarHBondContact NE-OD2 3.12Å; R269-D311 IonicContact NH2-OD2 3.61Å; R269-D311 PolarHBondContact NH2-OD2 3.13Å; R269-M518 HydrophobicContact CG-CE 4.45Å; R269-M518 VanDerWaalsContact NH1-CE 3.26Å; R269-M518 PolarHBondContact NH1-SD 3.13Å
270	P	90.3	Very high	92.7	Very high	24 Å²	24	24.1 Å²	24.1	16%	0.156	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.6	176.7	32.7	-35.5	0	0	0	110.8	L265 G268 A312 S313	L265-P270 HydrophobicContact CD1-CB 4.45Å; G268-P270 VanDerWaalsContact O-CD 3.32Å; G268-P270 WeakPolarHBondContact O-CD 3.26Å; P270-A312 HydrophobicContact CB-CB 4.07Å; P270-A312 HydrophobicContact CG-CB 4.1Å; P270-A312 WeakPolarHBondContact O-CB 3.28Å; P270-A312 PolarHBondContact O-N 3.29Å; P270-S313 WeakPolarHBondContact CD-OG 3.17Å
271	V	93.1	Very high	92.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.6	172.7	178.6	0	0	0	0	107.9	L264 I266 V309 H310 L513 M518	L264-V271 HydrophobicContact CB-CB 4.25Å; L264-V271 PolarHBondContact N-O 2.99Å; L264-V271 PolarHBondContact O-N 3.34Å; I266-V271 HydrophobicContact CD1-CB 4.46Å; I266-V271 HydrophobicContact CD1-CG2 3.77Å; I266-V271 HydrophobicContact CG1-CG2 4.39Å; V271-V309 HydrophobicContact CG1-CG1 3.68Å; V271-H310 WeakPolarHBondContact CA-O 3.42Å; V271-L513 HydrophobicContact CG1-CD2 4.34Å; V271-M518 HydrophobicContact CG2-CE 3.42Å; V271-M518 VanDerWaalsContact CG2-CE 3.42Å; V271-M518 HydrophobicContact CG2-CG 4.48Å; V271-M518 HydrophobicContact CG2-SD 3.89Å
272	H	94	Very high	92.6	Very high	25 Å²	25	27.8 Å²	27.8	12%	0.116	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.4	174.4	-71.5	165.9	0	0	0	109.8	Q261 V309 H310 A312	Q261-H272 HydrophobicContact CG-CB 4.29Å; H272-V309 WeakPolarHBondContact O-CA 3.35Å; H272-H310 VanDerWaalsContact CB-CE1 3.43Å; H272-H310 WeakPolarHBondContact CB-CE1 3.3Å; H272-H310 PolarHBondContact N-O 3.4Å; H272-H310 AromaticContact ND1-CE1 3.95Å; H272-H310 AromaticContact ND1-NE2 3.63Å; H272-H310 PolarHBondContact O-N 3.44Å; H272-H310 VanDerWaalsContact O-N 3.12Å; H272-A312 VanDerWaalsContact CE1-CB 3.4Å; H272-A312 WeakPolarHBondContact CE1-CB 3.31Å; H272-A312 WeakPolarHBondContact ND1-CB 3.33Å
273	I	95.9	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.8	171.1	-56.3	172.5	0	0	0	106.5	Q261 S262 L264 I308 V309 L509 L533 F534 L537	Q261-I273 CarbonylContact C-O 3.51Å; Q261-I273 WeakPolarHBondContact CA-O 3.37Å; S262-I273 PolarHBondContact N-O 3.36Å; S262-I273 PolarHBondContact O-N 2.96Å; L264-I273 HydrophobicContact CB-CD1 4.4Å; L264-I273 HydrophobicContact CD2-CD1 4.29Å; I273-I308 WeakPolarHBondContact CA-O 3.4Å; I273-V309 HydrophobicContact CG1-CG1 4.5Å; I273-V309 HydrophobicContact CG1-CG2 4.42Å; I273-V309 HydrophobicContact CG2-CG2 4.43Å; I273-L509 HydrophobicContact CD1-CD1 4.12Å; I273-L509 HydrophobicContact CD1-CD2 4.35Å; I273-L509 HydrophobicContact CG1-CD1 4.47Å; I273-L533 HydrophobicContact CD1-CD2 4.18Å; I273-F534 HydrophobicContact CG2-CD2 4.01Å; I273-F534 HydrophobicContact CG2-CE2 4.27Å; I273-L537 HydrophobicContact CG2-CD2 4.23Å
274	T	96.6	Very high	92.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.6	178.5	-46.3	0	0	0	0	109.4	A116 I118 G260 Q261 I276 Q307 I308	A116-T274 HydrophobicContact CB-CG2 4.18Å; I118-T274 HydrophobicContact CD1-CG2 4.14Å; G260-T274 CarbonylContact O-C 3.54Å; G260-T274 WeakPolarHBondContact O-CA 3.32Å; G260-T274 WeakPolarHBondContact O-CG2 3.48Å; Q261-T274 HydrophobicContact CB-CG2 4.26Å; Q261-T274 WeakPolarHBondContact CG-OG1 3.39Å; Q261-T274 PolarHBondContact NE2-OG1 3.41Å; T274-I276 HydrophobicContact CG2-CD1 4.45Å; T274-I276 HydrophobicContact CG2-CG1 4.06Å; T274-Q307 WeakPolarHBondContact O-CA 3.5Å; T274-I308 PolarHBondContact N-O 2.93Å; T274-I308 PolarHBondContact O-N 3.29Å
275	L	97.6	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.2	173.2	-173.3	66.1	0	0	0	108.8	F258 C259 G260 T305 E306 Q307 L537 Y538 H541	F258-L275 HydrophobicContact CE1-CB 4.35Å; F258-L275 HydrophobicContact CE1-CD2 4.29Å; F258-L275 HydrophobicContact CE1-CG 4.48Å; C259-L275 WeakPolarHBondContact CA-O 3.42Å; G260-L275 PolarHBondContact N-O 3.33Å; G260-L275 PolarHBondContact O-N 2.92Å; L275-T305 HydrophobicContact CD1-CG2 3.59Å; L275-T305 HydrophobicContact CG-CG2 4.43Å; L275-E306 WeakPolarHBondContact CA-O 3.37Å; L275-Q307 HydrophobicContact CD1-CB 4.31Å; L275-L537 HydrophobicContact CB-CD1 4.33Å; L275-L537 HydrophobicContact CB-CD2 3.56Å; L275-L537 HydrophobicContact CB-CG 3.77Å; L275-L537 HydrophobicContact CD2-CD2 4.49Å; L275-L537 HydrophobicContact CD2-CG 4.03Å; L275-Y538 HydrophobicContact CD1-CE2 3.86Å; L275-Y538 HydrophobicContact CD2-CD1 4.43Å; L275-Y538 HydrophobicContact CD2-CD2 3.72Å; L275-Y538 HydrophobicContact CD2-CE1 4.45Å; L275-Y538 HydrophobicContact CD2-CE2 3.67Å; L275-Y538 HydrophobicContact CD2-CG 4.11Å; L275-Y538 HydrophobicContact CG-CE2 4.4Å; L275-H541 HydrophobicContact CD2-CB 3.62Å
276	I	97.9	Very high	92	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.5	177.1	-54.7	179.3	0	0	0	108.1	I118 I123 L170 I255 F258 T274 R278 T305 E306 I308	I118-I276 HydrophobicContact CD1-CD1 4.02Å; I123-I276 HydrophobicContact CD1-CD1 3.97Å; L170-I276 HydrophobicContact CD2-CD1 4.36Å; I255-I276 HydrophobicContact CD1-CG2 4.19Å; F258-I276 CarbonylContact O-C 3.54Å; F258-I276 WeakPolarHBondContact O-CA 3.17Å; T274-I276 HydrophobicContact CG2-CD1 4.45Å; T274-I276 HydrophobicContact CG2-CG1 4.06Å; I276-R278 HydrophobicContact CG2-CG 4.14Å; I276-T305 CarbonylContact O-C 3.5Å; I276-T305 WeakPolarHBondContact O-CA 3.41Å; I276-E306 PolarHBondContact N-O 2.9Å; I276-E306 PolarHBondContact O-N 3.33Å; I276-I308 HydrophobicContact CD1-CD1 4.2Å
277	A	97	Very high	91.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	168.9	0	0	0	0	0	110	G257 F258 V303 E304 H541 L545	G257-A277 CarbonylContact C-O 3.53Å; G257-A277 VanDerWaalsContact CA-O 3.29Å; G257-A277 WeakPolarHBondContact CA-O 3.1Å; F258-A277 HydrophobicContact CB-CB 4.01Å; F258-A277 PolarHBondContact N-O 2.9Å; F258-A277 PolarHBondContact O-N 3.22Å; A277-V303 HydrophobicContact CB-CG1 3.88Å; A277-E304 CarbonylContact C-O 3.56Å; A277-E304 VanDerWaalsContact CA-O 3.28Å; A277-E304 WeakPolarHBondContact CA-O 3.38Å; A277-H541 WeakPolarHBondContact CB-NE2 3.12Å; A277-L545 HydrophobicContact CB-CD1 3.79Å; A277-L545 HydrophobicContact CB-CD2 4.4Å
278	R	96.1	Very high	91.4	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.2	-179.8	-63.7	166.5	-74.6	-94.9	9	108.7	L170 Y232 I255 I276 V303 E304 E306	L170-R278 WeakPolarHBondContact O-CD 3.49Å; Y232-R278 HydrophobicContact CD1-CB 3.61Å; Y232-R278 HydrophobicContact CE1-CB 4.08Å; Y232-R278 VanDerWaalsContact CE1-O 3.28Å; Y232-R278 WeakPolarHBondContact CE1-O 3.45Å; Y232-R278 HydrophobicContact CG-CB 3.87Å; I255-R278 HydrophobicContact CD1-CG 3.87Å; I276-R278 HydrophobicContact CG2-CG 4.14Å; R278-V303 VanDerWaalsContact O-CA 3.28Å; R278-V303 WeakPolarHBondContact O-CA 3.5Å; R278-E304 IonicContact CZ-OE1 3.71Å; R278-E304 PolarHBondContact N-O 2.72Å; R278-E304 IonicContact NE-OE1 3.83Å; R278-E304 PolarHBondContact NE-OE1 3.29Å; R278-E304 IonicContact NH2-OE1 3.96Å; R278-E304 PolarHBondContact NH2-OE1 3.03Å; R278-E304 PolarHBondContact O-N 2.93Å; R278-E306 IonicContact CZ-OE2 3.63Å; R278-E306 VanDerWaalsContact CZ-OE2 3.23Å; R278-E306 IonicContact NH1-OE2 3.66Å; R278-E306 PolarHBondContact NH1-OE2 3.39Å; R278-E306 IonicContact NH2-OE2 3.75Å; R278-E306 PolarHBondContact NH2-OE2 3.41Å
279	R	94.7	Very high	91.4	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.1	174.8	173	179.9	179.2	172.4	7.8	109.6	W234 H256 S281 G285 N301 V303 Q548 Y549	W234-R279 HydrophobicContact CZ2-CG 3.93Å; W234-R279 PolarHBondContact NE1-O 2.84Å; H256-R279 WeakPolarHBondContact O-CB 3.18Å; H256-R279 PolarHBondContact O-N 2.66Å; R279-S281 PolarHBondContact O-N 2.92Å; R279-G285 PolarHBondContact NH2-O 3.42Å; R279-N301 PolarHBondContact NH2-OD1 2.95Å; R279-V303 HydrophobicContact CB-CG2 4.38Å; R279-Q548 PolarHBondContact NH1-O 3.04Å; R279-Y549 VanDerWaalsContact CD-CZ 3.45Å; R279-Y549 WeakPolarHBondContact CD-OH 3.47Å; R279-Y549 HydrophobicContact CG-CE1 4.14Å; R279-Y549 WeakPolarHBondContact CG-OH 3.15Å; R279-Y549 VanDerWaalsContact NH2-CD1 3.26Å; R279-Y549 VanDerWaalsContact NH2-CE1 3.29Å
280	S	94.9	Very high	91.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.			trans	-58.5	134.7	173.2	176.4	0	0	0	0	111.1	K231 K282 E302	K231-S280 WeakPolarHBondContact CG-OG 3.34Å; K231-S280 CarbonylContact O-C 2.87Å; K231-S280 VanDerWaalsContact O-CA 3.29Å; K231-S280 WeakPolarHBondContact O-CA 3.4Å; S280-K282 VanDerWaalsContact C-N 3.34Å; S280-K282 WeakPolarHBondContact OG-CB 3.46Å; S280-K282 PolarHBondContact OG-N 2.72Å; S280-K282 PolarHBondContact OG-O 2.93Å; S280-K282 VanDerWaalsContact OG-O 3.09Å; S280-E302 PolarHBondContact N-O 2.99Å
281	S	93.8	Very high	91.4	Very high	17 Å²	17	14.2 Å²	14.2	12%	0.119	7%	0.065	C	C	.	.	S	Bend	trans	-78.8	-22.4	167.1	63.2	0	0	0	0	111.3	Y230 K231 V233 R279 L599	Y230-S281 PolarHBondContact O-OG 3.42Å; K231-S281 PolarHBondContact O-N 2.88Å; K231-S281 PolarHBondContact O-OG 2.88Å; K231-S281 VanDerWaalsContact O-OG 3.12Å; V233-S281 PolarHBondContact O-OG 3.12Å; V233-S281 VanDerWaalsContact O-OG 3.13Å; R279-S281 PolarHBondContact O-N 2.92Å; S281-L599 VanDerWaalsContact O-CD1 3.29Å; S281-L599 WeakPolarHBondContact O-CD1 3.49Å
282	K	91.4	Very high	91.2	Very high	79 Å²	79	14.2 Å²	14.2	34%	0.343	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	131.2	174.6	-60.5	-67.6	-168.5	154.2	0	110.9	K231 S280 A284 D298	K231-K282 HydrophobicContact CG-CB 4.44Å; K231-K282 HydrophobicContact CG-CG 4.04Å; S280-K282 VanDerWaalsContact C-N 3.34Å; S280-K282 WeakPolarHBondContact OG-CB 3.46Å; S280-K282 PolarHBondContact OG-N 2.72Å; S280-K282 PolarHBondContact OG-O 2.93Å; S280-K282 VanDerWaalsContact OG-O 3.09Å; K282-A284 PolarHBondContact O-N 2.87Å; K282-A284 VanDerWaalsContact O-N 3.08Å; K282-D298 HydrophobicContact CB-CB 3.8Å; K282-D298 VanDerWaalsContact CB-CG 3.46Å; K282-D298 WeakPolarHBondContact CB-OD2 3.43Å
283	F	90.1	Very high	91.1	Very high	30 Å²	30	13.1 Å²	13.1	13%	0.132	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	37	-178.7	-156.6	-138.5	0	0	0	113.7	K290 R291 N294 D298 A300 H621	F283-K290 HydrophobicContact CD2-CD 4.28Å; F283-K290 HydrophobicContact CE2-CD 3.85Å; F283-K290 HydrophobicContact CZ-CD 4.29Å; F283-R291 VanDerWaalsContact CE1-O 3.24Å; F283-R291 WeakPolarHBondContact CE1-O 3.34Å; F283-N294 HydrophobicContact CD1-CB 4.32Å; F283-N294 HydrophobicContact CD2-CB 4.15Å; F283-N294 HydrophobicContact CE2-CB 4.36Å; F283-N294 HydrophobicContact CG-CB 4.15Å; F283-D298 HydrophobicContact CB-CB 4.26Å; F283-A300 HydrophobicContact CD1-CB 3.64Å; F283-A300 HydrophobicContact CE1-CB 3.84Å; F283-A300 HydrophobicContact CG-CB 4.49Å; F283-A300 WeakPolarHBondContact O-CA 3.45Å; F283-H621 HydrophobicContact CD2-CB 3.83Å; F283-H621 AromaticContact CD2-ND1 3.97Å; F283-H621 HydrophobicContact CE2-CB 3.67Å
284	A	90.4	Very high	90.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	6%	0.063	C	C	.	.			trans	-75.6	140.4	178.7	0	0	0	0	0	111.5	W234 K282 Q592 I595 L599	W234-A284 HydrophobicContact CH2-CB 4.17Å; W234-A284 HydrophobicContact CZ2-CB 4.18Å; K282-A284 PolarHBondContact O-N 2.87Å; K282-A284 VanDerWaalsContact O-N 3.08Å; A284-Q592 PolarHBondContact O-NE2 3.26Å; A284-I595 HydrophobicContact CB-CG2 4.33Å; A284-L599 HydrophobicContact CB-CD1 4.05Å
285	G	88.1	Confident	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.			trans	-176.6	-170.7	169.7	0	0	0	0	0	115.8	R279 N301	R279-G285 PolarHBondContact NH2-O 3.42Å; G285-N301 PolarHBondContact N-OD1 3.14Å; G285-N301 PolarHBondContact O-ND2 3.15Å; G285-N301 PolarHBondContact O-OD1 3.02Å
286	T	87	Confident	89.6	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.			trans	-77	160.4	178	60.9	0	0	0	0	111.2	F288 L289 K290 D588 R591 Q592	T286-F288 PolarHBondContact O-N 3.46Å; T286-L289 PolarHBondContact O-N 3.09Å; T286-L289 WeakPolarHBondContact OG1-CD1 3.32Å; T286-K290 PolarHBondContact O-N 2.88Å; T286-D588 HydrophobicContact CG2-CB 4.08Å; T286-D588 WeakPolarHBondContact CG2-O 3.45Å; T286-D588 PolarHBondContact OG1-O 2.83Å; T286-R591 HydrophobicContact CG2-CB 4.07Å; T286-R591 HydrophobicContact CG2-CG 4.31Å; T286-Q592 HydrophobicContact CG2-CB 4.48Å
287	R	78.4	Confident	89.1	Confident	37 Å²	37	18.5 Å²	18.5	14%	0.14	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-50.4	-164.2	175.4	-176.2	174.1	139	1.2	113.9	R291 D492 Y549	R287-R291 WeakPolarHBondContact O-CD 3.43Å; R287-R291 VanDerWaalsContact O-CZ 3.3Å; R287-R291 PolarHBondContact O-NE 3.15Å; R287-D492 IonicContact CZ-OD1 3.12Å; R287-D492 IonicContact NE-OD1 3.34Å; R287-D492 PolarHBondContact NH1-O 3.25Å; R287-D492 VanDerWaalsContact NH1-O 3.09Å; R287-D492 VanDerWaalsContact NH2-CB 3.25Å; R287-D492 VanDerWaalsContact NH2-CG 3.25Å; R287-D492 PolarHBondContact NH2-O 2.79Å; R287-D492 IonicContact NH2-OD1 3.86Å; R287-D492 PolarHBondContact NH2-OD1 3.15Å; R287-Y549 WeakPolarHBondContact CB-O 3.29Å; R287-Y549 PolarHBondContact N-O 3.25Å
288	F	81	Confident	88.9	Confident	21 Å²	21	18.8 Å²	18.8	9%	0.092	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-25.3	-174.4	-62.2	-51.3	0	0	0	113.5	T286 I340 P347 N584	T286-F288 PolarHBondContact O-N 3.46Å; F288-I340 HydrophobicContact CB-CG2 3.56Å; F288-P347 HydrophobicContact CD1-CG 4.21Å; F288-P347 HydrophobicContact CD2-CG 4.5Å; F288-P347 HydrophobicContact CE1-CG 4.32Å; F288-P347 HydrophobicContact CG-CG 4.32Å; F288-P347 HydrophobicContact CZ-CG 4.49Å; F288-N584 HydrophobicContact CD2-CB 3.91Å; F288-N584 HydrophobicContact CE2-CB 3.76Å; F288-N584 VanDerWaalsContact CE2-CG 3.42Å; F288-N584 WeakPolarHBondContact CE2-ND2 3.48Å
289	L	84	Confident	88.7	Confident	49 Å²	49	18.8 Å²	18.8	26%	0.257	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.6	178.4	-75.1	170.7	0	0	0	112.5	T286 I340 Q592	T286-L289 PolarHBondContact O-N 3.09Å; T286-L289 WeakPolarHBondContact OG1-CD1 3.32Å; L289-I340 HydrophobicContact CD2-CD1 3.4Å; L289-I340 HydrophobicContact CD2-CG1 4.36Å; L289-I340 HydrophobicContact CG-CD1 4.29Å; L289-Q592 HydrophobicContact CB-CG 4.42Å; L289-Q592 HydrophobicContact CD1-CB 3.64Å; L289-Q592 HydrophobicContact CD1-CG 4.02Å
290	K	87.5	Confident	88.5	Confident	6 Å²	6	18.7 Å²	18.7	3%	0.026	9%	0.09	C	C	.	.	S	Bend	trans	-120.9	112	176.8	-61	-57.2	174.3	-156.9	0	112.6	F283 T286 A300 D617 H621	F283-K290 HydrophobicContact CD2-CD 4.28Å; F283-K290 HydrophobicContact CE2-CD 3.85Å; F283-K290 HydrophobicContact CZ-CD 4.29Å; T286-K290 PolarHBondContact O-N 2.88Å; K290-A300 HydrophobicContact CB-CB 4.11Å; K290-D617 WeakPolarHBondContact CE-OD2 3.22Å; K290-D617 IonicContact NZ-OD1 3.18Å; K290-D617 PolarHBondContact NZ-OD1 3.21Å; K290-D617 IonicContact NZ-OD2 2.95Å; K290-D617 PolarHBondContact NZ-OD2 2.8Å; K290-H621 VanDerWaalsContact CE-CD2 3.48Å; K290-H621 WeakPolarHBondContact CE-CD2 3.3Å; K290-H621 WeakPolarHBondContact CE-NE2 3.4Å; K290-H621 PolarHBondContact NZ-CD2 3.33Å; K290-H621 PolarHBondContact NZ-NE2 3.2Å; K290-H621 VanDerWaalsContact NZ-NE2 3.15Å
291	R	89.2	Confident	88.3	Confident	30 Å²	30	19.8 Å²	19.8	11%	0.113	10%	0.095	C	C	.	.			trans	-139.9	166.1	177.6	-65	-61.1	-155.3	176.4	2.1	109.7	F283 R287 W336 Q338 V491 D492	F283-R291 VanDerWaalsContact CE1-O 3.24Å; F283-R291 WeakPolarHBondContact CE1-O 3.34Å; R287-R291 WeakPolarHBondContact O-CD 3.43Å; R287-R291 VanDerWaalsContact O-CZ 3.3Å; R287-R291 PolarHBondContact O-NE 3.15Å; R291-W336 CarbonylContact C-O 3.52Å; R291-W336 VanDerWaalsContact C-O 3.3Å; R291-W336 HydrophobicContact CB-CD2 4.07Å; R291-W336 HydrophobicContact CB-CE3 3.84Å; R291-W336 HydrophobicContact CB-CH2 3.78Å; R291-W336 HydrophobicContact CB-CZ2 3.96Å; R291-W336 HydrophobicContact CB-CZ3 3.72Å; R291-W336 VanDerWaalsContact CD-CH2 3.44Å; R291-W336 HydrophobicContact CG-CE3 4.31Å; R291-W336 HydrophobicContact CG-CH2 3.77Å; R291-W336 HydrophobicContact CG-CZ2 4.39Å; R291-W336 HydrophobicContact CG-CZ3 3.73Å; R291-Q338 HydrophobicContact CG-CG 4.4Å; R291-V491 PolarHBondContact NH1-O 3.43Å; R291-V491 PolarHBondContact NH2-O 3.41Å; R291-D492 IonicContact NH2-OD1 2.75Å; R291-D492 PolarHBondContact NH2-OD1 3Å; R291-D492 VanDerWaalsContact NH2-OD1 3.16Å
292	G	90.4	Very high	88.3	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	69.3	-150.9	-178.2	0	0	0	0	0	114.8	A300 S331 L334 W336	G292-A300 PolarHBondContact O-N 3.39Å; G292-S331 WeakPolarHBondContact CA-OG 3.3Å; G292-S331 PolarHBondContact N-OG 3.13Å; G292-S331 WeakPolarHBondContact O-CB 3.29Å; G292-S331 PolarHBondContact O-OG 3.38Å; G292-L334 CarbonylContact C-O 3.59Å; G292-L334 WeakPolarHBondContact CA-O 3.34Å; G292-W336 PolarHBondContact N-O 3.28Å
293	A	90.3	Very high	88.4	Confident	2 Å²	2	15.3 Å²	15.3	2%	0.017	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-127.5	153.2	175.4	0	0	0	0	0	110.5	D298 V299 L334 Y335 I360	A293-D298 CarbonylContact C-O 3.58Å; A293-D298 VanDerWaalsContact CA-O 3.25Å; A293-D298 WeakPolarHBondContact CA-O 3.46Å; A293-V299 HydrophobicContact CB-CG1 3.95Å; A293-L334 PolarHBondContact N-O 2.69Å; A293-Y335 WeakPolarHBondContact O-CD2 3.37Å; A293-I360 HydrophobicContact CB-CG2 3.54Å
294	N	88.7	Confident	88.8	Confident	11 Å²	11	13.9 Å²	13.9	6%	0.059	7%	0.068	C	C	.	.			trans	-83.5	176.6	172.2	71	2.1	0	0	0	111.5	F283 E296 G297 D298	F283-N294 HydrophobicContact CD1-CB 4.32Å; F283-N294 HydrophobicContact CD2-CB 4.15Å; F283-N294 HydrophobicContact CE2-CB 4.36Å; F283-N294 HydrophobicContact CG-CB 4.15Å; N294-E296 PolarHBondContact O-N 3.19Å; N294-E296 WeakPolarHBondContact OD1-CA 3.46Å; N294-E296 PolarHBondContact OD1-N 3.14Å; N294-G297 PolarHBondContact O-N 3.39Å; N294-G297 PolarHBondContact OD1-N 2.78Å; N294-G297 VanDerWaalsContact OD1-N 3.13Å; N294-D298 PolarHBondContact N-O 3.19Å; N294-D298 PolarHBondContact ND2-OD2 3.16Å; N294-D298 WeakPolarHBondContact OD1-CA 3.5Å; N294-D298 WeakPolarHBondContact OD1-CB 3.34Å; N294-D298 PolarHBondContact OD1-N 3.02Å; N294-D298 PolarHBondContact OD1-O 2.9Å
295	C	84.5	Confident	89.1	Confident	29 Å²	29	13.9 Å²	13.9	20%	0.196	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20	174.5	-103.8	0	0	0	0	115.4	G297 Q622	C295-G297 VanDerWaalsContact C-N 3.32Å; C295-Q622 PolarHBondContact SG-NE2 3.29Å
296	E	85.6	Confident	89.6	Confident	73 Å²	73	13.9 Å²	13.9	34%	0.341	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.3	-179.4	-60.5	-176.5	177.5	0	0	112.1	N294 D298 Q367 R623	N294-E296 PolarHBondContact O-N 3.19Å; N294-E296 WeakPolarHBondContact OD1-CA 3.46Å; N294-E296 PolarHBondContact OD1-N 3.14Å; E296-D298 VanDerWaalsContact C-N 3.33Å; E296-Q367 PolarHBondContact O-NE2 2.96Å; E296-R623 IonicContact OE1-CZ 3.85Å; E296-R623 IonicContact OE1-NE 2.65Å; E296-R623 PolarHBondContact OE1-NE 3.47Å; E296-R623 IonicContact OE1-NH2 2.67Å; E296-R623 PolarHBondContact OE1-NH2 2.95Å
297	G	88.5	Confident	90.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	83.2	4.8	-177	0	0	0	0	0	114.3	N294 C295 V299 H364	N294-G297 PolarHBondContact O-N 3.39Å; N294-G297 PolarHBondContact OD1-N 2.78Å; N294-G297 VanDerWaalsContact OD1-N 3.13Å; C295-G297 VanDerWaalsContact C-N 3.32Å; G297-V299 PolarHBondContact O-N 3.39Å; G297-H364 VanDerWaalsContact O-CB 3.28Å; G297-H364 WeakPolarHBondContact O-CB 3.13Å; G297-H364 PolarHBondContact O-ND1 3.21Å
298	D	92	Very high	91	Very high	7 Å²	7	12.1 Å²	12.1	4%	0.037	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-77.8	123.2	174.6	-61.9	-54.3	0	0	0	110.3	K282 F283 A293 N294 E296	K282-D298 HydrophobicContact CB-CB 3.8Å; K282-D298 VanDerWaalsContact CB-CG 3.46Å; K282-D298 WeakPolarHBondContact CB-OD2 3.43Å; F283-D298 HydrophobicContact CB-CB 4.26Å; A293-D298 CarbonylContact C-O 3.58Å; A293-D298 VanDerWaalsContact CA-O 3.25Å; A293-D298 WeakPolarHBondContact CA-O 3.46Å; N294-D298 PolarHBondContact N-O 3.19Å; N294-D298 PolarHBondContact ND2-OD2 3.16Å; N294-D298 WeakPolarHBondContact OD1-CA 3.5Å; N294-D298 WeakPolarHBondContact OD1-CB 3.34Å; N294-D298 PolarHBondContact OD1-N 3.02Å; N294-D298 PolarHBondContact OD1-O 2.9Å; E296-D298 VanDerWaalsContact C-N 3.33Å
299	V	92.9	Very high	91.7	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-86.1	144.9	177.7	-62.5	0	0	0	0	111	A293 G297 N301 E302 P333 H364	A293-V299 HydrophobicContact CB-CG1 3.95Å; G297-V299 PolarHBondContact O-N 3.39Å; V299-N301 PolarHBondContact O-N 2.87Å; V299-E302 HydrophobicContact CG2-CB 3.77Å; V299-E302 HydrophobicContact CG2-CG 3.9Å; V299-E302 WeakPolarHBondContact CG2-OE2 3.44Å; V299-P333 HydrophobicContact CG1-CB 3.78Å; V299-H364 VanDerWaalsContact CG1-CE1 3.48Å; V299-H364 WeakPolarHBondContact CG1-CE1 3.38Å; V299-H364 WeakPolarHBondContact CG1-ND1 3.46Å
300	A	90.8	Very high	92.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	134.3	179.1	0	0	0	0	0	109.9	F283 K290 G292 E302 S331	F283-A300 HydrophobicContact CD1-CB 3.64Å; F283-A300 HydrophobicContact CE1-CB 3.84Å; F283-A300 HydrophobicContact CG-CB 4.49Å; F283-A300 WeakPolarHBondContact O-CA 3.45Å; K290-A300 HydrophobicContact CB-CB 4.11Å; G292-A300 PolarHBondContact O-N 3.39Å; A300-E302 VanDerWaalsContact C-N 3.26Å; A300-E302 PolarHBondContact O-N 3.24Å; A300-S331 VanDerWaalsContact O-CB 3.28Å; A300-S331 WeakPolarHBondContact O-CB 3.47Å; A300-S331 PolarHBondContact O-N 3.05Å; A300-S331 VanDerWaalsContact O-N 3.13Å
301	N	89.5	Confident	92.4	Very high	22 Å²	22	9.4 Å²	9.4	12%	0.118	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.6	168.1	-65.3	-34.8	0	0	0	114.3	R279 G285 V299 Y549	R279-N301 PolarHBondContact NH2-OD1 2.95Å; G285-N301 PolarHBondContact N-OD1 3.14Å; G285-N301 PolarHBondContact O-ND2 3.15Å; G285-N301 PolarHBondContact O-OD1 3.02Å; V299-N301 PolarHBondContact O-N 2.87Å; N301-Y549 HydrophobicContact CB-CD1 3.58Å; N301-Y549 HydrophobicContact CB-CE1 3.27Å; N301-Y549 VanDerWaalsContact OD1-CD1 3.22Å; N301-Y549 WeakPolarHBondContact OD1-CD1 3.38Å; N301-Y549 WeakPolarHBondContact OD1-CE1 3.46Å
302	E	93.6	Very high	92.2	Very high	2 Å²	2	9 Å²	9	1%	0.009	5%	0.05	C	C	.	.			trans	-61.7	139.7	172.6	-159.1	176.9	151.8	0	0	111.5	K231 S280 V299 A300 V328 R329 H364	K231-E302 WeakPolarHBondContact CE-OE2 3.38Å; K231-E302 VanDerWaalsContact NZ-CD 3.31Å; K231-E302 IonicContact NZ-OE1 3.03Å; K231-E302 PolarHBondContact NZ-OE1 3.07Å; K231-E302 IonicContact NZ-OE2 2.61Å; K231-E302 PolarHBondContact NZ-OE2 2.85Å; S280-E302 PolarHBondContact N-O 2.99Å; V299-E302 HydrophobicContact CG2-CB 3.77Å; V299-E302 HydrophobicContact CG2-CG 3.9Å; V299-E302 WeakPolarHBondContact CG2-OE2 3.44Å; A300-E302 VanDerWaalsContact C-N 3.26Å; A300-E302 PolarHBondContact O-N 3.24Å; E302-V328 HydrophobicContact CG-CG1 3.93Å; E302-R329 CarbonylContact C-O 3.6Å; E302-R329 WeakPolarHBondContact CA-O 3.42Å; E302-H364 IonicContact OE2-CE1 3.73Å
303	V	95	Very high	92	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.6	175.7	-177.1	0	0	0	0	109.6	A277 R278 R279 V328 R329 L545 Y549	A277-V303 HydrophobicContact CB-CG1 3.88Å; R278-V303 VanDerWaalsContact O-CA 3.28Å; R278-V303 WeakPolarHBondContact O-CA 3.5Å; R279-V303 HydrophobicContact CB-CG2 4.38Å; V303-V328 WeakPolarHBondContact O-CA 3.37Å; V303-R329 HydrophobicContact CB-CG 3.84Å; V303-R329 HydrophobicContact CG2-CG 4.49Å; V303-R329 PolarHBondContact N-O 3.18Å; V303-R329 PolarHBondContact O-N 3.12Å; V303-L545 HydrophobicContact CG1-CD2 4.37Å; V303-L545 HydrophobicContact CG2-CD2 4.34Å; V303-Y549 HydrophobicContact CG2-CE2 4.47Å; V303-Y549 WeakPolarHBondContact CG2-OH 3.39Å
304	E	96.8	Very high	91.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.1	165.4	-168.8	179.6	131.4	0	0	108.5	Y232 A277 R278 V326 V328 R371 F372	Y232-E304 HydrophobicContact CE1-CB 4.22Å; Y232-E304 HydrophobicContact CE2-CB 4.39Å; Y232-E304 VanDerWaalsContact CE2-OE2 3.29Å; Y232-E304 WeakPolarHBondContact CE2-OE2 3.26Å; Y232-E304 PolarHBondContact OH-OE2 3Å; A277-E304 CarbonylContact C-O 3.56Å; A277-E304 VanDerWaalsContact CA-O 3.28Å; A277-E304 WeakPolarHBondContact CA-O 3.38Å; R278-E304 IonicContact CZ-OE1 3.71Å; R278-E304 PolarHBondContact N-O 2.72Å; R278-E304 IonicContact NE-OE1 3.83Å; R278-E304 PolarHBondContact NE-OE1 3.29Å; R278-E304 IonicContact NH2-OE1 3.96Å; R278-E304 PolarHBondContact NH2-OE1 3.03Å; R278-E304 PolarHBondContact O-N 2.93Å; E304-V326 HydrophobicContact CG-CG1 3.44Å; E304-V326 VanDerWaalsContact CG-CG1 3.44Å; E304-V328 HydrophobicContact CG-CG2 4.41Å; E304-R371 IonicContact OE1-NH2 3.62Å; E304-R371 IonicContact OE2-CZ 2.76Å; E304-R371 VanDerWaalsContact OE2-CZ 3.23Å; E304-R371 IonicContact OE2-NE 3.41Å; E304-R371 PolarHBondContact OE2-NE 2.89Å; E304-R371 IonicContact OE2-NH2 3.29Å; E304-R371 PolarHBondContact OE2-NH2 3.18Å; E304-F372 HydrophobicContact CG-CE1 4.39Å; E304-F372 HydrophobicContact CG-CZ 4.34Å
305	T	97.7	Very high	91.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.4	176	-59.2	0	0	0	0	108.2	L275 I276 Q327 Q501 H541	L275-T305 HydrophobicContact CD1-CG2 3.59Å; L275-T305 HydrophobicContact CG-CG2 4.43Å; I276-T305 CarbonylContact O-C 3.5Å; I276-T305 WeakPolarHBondContact O-CA 3.41Å; T305-Q327 PolarHBondContact N-O 2.91Å; T305-Q327 PolarHBondContact O-N 3.28Å; T305-Q501 PolarHBondContact OG1-NE2 3.36Å; T305-H541 PolarHBondContact OG1-NE2 3.38Å
306	E	98.3	Very high	91.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	-179.2	178.2	-179.9	-160.7	0	0	111	L174 L275 I276 R278 I308 S324 Y325 V326	L174-E306 WeakPolarHBondContact CB-OE1 3.38Å; L174-E306 PolarHBondContact N-OE1 2.93Å; L275-E306 WeakPolarHBondContact CA-O 3.37Å; I276-E306 PolarHBondContact N-O 2.9Å; I276-E306 PolarHBondContact O-N 3.33Å; R278-E306 IonicContact CZ-OE2 3.63Å; R278-E306 VanDerWaalsContact CZ-OE2 3.23Å; R278-E306 IonicContact NH1-OE2 3.66Å; R278-E306 PolarHBondContact NH1-OE2 3.39Å; R278-E306 IonicContact NH2-OE2 3.75Å; R278-E306 PolarHBondContact NH2-OE2 3.41Å; E306-I308 HydrophobicContact CG-CD1 4.26Å; E306-I308 HydrophobicContact CG-CG1 3.88Å; E306-S324 WeakPolarHBondContact CG-OG 3.45Å; E306-S324 PolarHBondContact OE1-OG 2.95Å; E306-Y325 WeakPolarHBondContact CA-O 3.35Å; E306-V326 HydrophobicContact CB-CG2 4.15Å; E306-V326 HydrophobicContact CG-CG2 3.92Å
307	Q	97.6	Very high	91	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.8	175.5	172.5	-175.6	-41.7	0	0	109.7	T274 L275 V309 S324 Y325 G505 Q512 F534 Y538	T274-Q307 WeakPolarHBondContact O-CA 3.5Å; L275-Q307 HydrophobicContact CD1-CB 4.31Å; Q307-V309 HydrophobicContact CG-CG2 4.39Å; Q307-S324 CarbonylContact O-C 3.4Å; Q307-S324 WeakPolarHBondContact O-CA 3.23Å; Q307-Y325 PolarHBondContact N-O 3.4Å; Q307-Y325 PolarHBondContact O-N 2.92Å; Q307-G505 PolarHBondContact NE2-O 2.71Å; Q307-G505 PolarHBondContact OE1-O 3.23Å; Q307-Q512 PolarHBondContact O-NE2 3.31Å; Q307-F534 HydrophobicContact CG-CE2 4.22Å; Q307-F534 VanDerWaalsContact OE1-CE2 3.32Å; Q307-Y538 PolarHBondContact OE1-OH 3.47Å
308	I	97.6	Very high	90.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.2	179.4	-58.3	168.7	0	0	0	108.9	I118 L174 I273 T274 I276 E306 S323	I118-I308 HydrophobicContact CD1-CD1 3.71Å; L174-I308 HydrophobicContact CB-CD1 4.08Å; L174-I308 HydrophobicContact CB-CG1 4.42Å; L174-I308 HydrophobicContact CD2-CD1 4.21Å; L174-I308 HydrophobicContact CD2-CG1 4.18Å; L174-I308 HydrophobicContact CD2-CG2 3.69Å; I273-I308 WeakPolarHBondContact CA-O 3.4Å; T274-I308 PolarHBondContact N-O 2.93Å; T274-I308 PolarHBondContact O-N 3.29Å; I276-I308 HydrophobicContact CD1-CD1 4.2Å; E306-I308 HydrophobicContact CG-CD1 4.26Å; E306-I308 HydrophobicContact CG-CG1 3.88Å; I308-S323 CarbonylContact C-O 3.56Å; I308-S323 VanDerWaalsContact CA-O 3.27Å; I308-S323 WeakPolarHBondContact CA-O 3.42Å; I308-S323 WeakPolarHBondContact CG2-O 3.35Å
309	V	96.3	Very high	89.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.5	174.5	-174.4	0	0	0	0	108.4	V271 H272 I273 Q307 S323 L509 Q512 L513 L516	V271-V309 HydrophobicContact CG1-CG1 3.68Å; H272-V309 WeakPolarHBondContact O-CA 3.35Å; I273-V309 HydrophobicContact CG1-CG1 4.5Å; I273-V309 HydrophobicContact CG1-CG2 4.42Å; I273-V309 HydrophobicContact CG2-CG2 4.43Å; Q307-V309 HydrophobicContact CG-CG2 4.39Å; V309-S323 WeakPolarHBondContact CB-OG 3.47Å; V309-S323 PolarHBondContact N-O 3.27Å; V309-S323 PolarHBondContact O-N 2.91Å; V309-S323 PolarHBondContact O-OG 3.26Å; V309-L509 HydrophobicContact CG2-CD1 3.6Å; V309-Q512 HydrophobicContact CB-CB 4.45Å; V309-Q512 HydrophobicContact CG2-CB 4.42Å; V309-Q512 VanDerWaalsContact CG2-OE1 3.23Å; V309-L513 HydrophobicContact CG1-CD2 4.18Å; V309-L516 HydrophobicContact CB-CD1 4.33Å; V309-L516 HydrophobicContact CG1-CD1 3.73Å
310	H	94.1	Very high	89.4	Confident	6 Å²	6	22.7 Å²	22.7	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.5	178.8	69.5	-84.3	0	0	0	112.7	V271 H272 A312 S321 Y322	V271-H310 WeakPolarHBondContact CA-O 3.42Å; H272-H310 VanDerWaalsContact CB-CE1 3.43Å; H272-H310 WeakPolarHBondContact CB-CE1 3.3Å; H272-H310 PolarHBondContact N-O 3.4Å; H272-H310 AromaticContact ND1-CE1 3.95Å; H272-H310 AromaticContact ND1-NE2 3.63Å; H272-H310 PolarHBondContact O-N 3.44Å; H272-H310 VanDerWaalsContact O-N 3.12Å; H310-A312 PolarHBondContact O-N 2.87Å; H310-S321 VanDerWaalsContact CA-O 3.28Å; H310-S321 WeakPolarHBondContact CA-O 3.3Å; H310-S321 WeakPolarHBondContact CB-O 3.39Å; H310-Y322 HydrophobicContact CB-CD1 3.32Å; H310-Y322 HydrophobicContact CB-CE1 3.45Å; H310-Y322 VanDerWaalsContact CB-CE1 3.45Å; H310-Y322 HydrophobicContact CB-CG 3.9Å; H310-Y322 AromaticContact CD2-CE1 3.5Å; H310-Y322 AromaticContact CD2-CZ 3.88Å; H310-Y322 AromaticContact CG-CD1 3.72Å; H310-Y322 AromaticContact CG-CE1 3.36Å; H310-Y322 AromaticContact ND1-CE1 3.88Å
311	D	90.8	Very high	89.3	Confident	12 Å²	12	23.1 Å²	23.1	6%	0.064	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.5	169.7	-177.9	3.4	0	0	0	109.6	R269 S313 S321 M518	R269-D311 IonicContact CZ-OD2 3.74Å; R269-D311 VanDerWaalsContact NE-CG 3.33Å; R269-D311 IonicContact NE-OD1 2.8Å; R269-D311 IonicContact NE-OD2 2.56Å; R269-D311 PolarHBondContact NE-OD2 3.12Å; R269-D311 IonicContact NH2-OD2 3.61Å; R269-D311 PolarHBondContact NH2-OD2 3.13Å; D311-S313 PolarHBondContact O-N 3.33Å; D311-S313 WeakPolarHBondContact OD1-CB 3.28Å; D311-S313 PolarHBondContact OD1-N 3.45Å; D311-S313 PolarHBondContact OD1-OG 3.03Å; D311-S321 PolarHBondContact N-O 3.34Å; D311-M518 HydrophobicContact CB-CE 4.25Å
312	A	86.4	Confident	89.5	Confident	21 Å²	21	22.1 Å²	22.1	17%	0.174	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.4	-177.6	0	0	0	0	0	113.1	P270 H272 H310 V314	P270-A312 HydrophobicContact CB-CB 4.07Å; P270-A312 HydrophobicContact CG-CB 4.1Å; P270-A312 WeakPolarHBondContact O-CB 3.28Å; P270-A312 PolarHBondContact O-N 3.29Å; H272-A312 VanDerWaalsContact CE1-CB 3.4Å; H272-A312 WeakPolarHBondContact CE1-CB 3.31Å; H272-A312 WeakPolarHBondContact ND1-CB 3.33Å; H310-A312 PolarHBondContact O-N 2.87Å; A312-V314 PolarHBondContact O-N 2.88Å
313	S	85.8	Confident	89.6	Confident	70 Å²	70	22 Å²	22	49%	0.49	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	175.2	-45.9	0	0	0	0	112.1	P270 D311	P270-S313 WeakPolarHBondContact CD-OG 3.17Å; D311-S313 PolarHBondContact O-N 3.33Å; D311-S313 WeakPolarHBondContact OD1-CB 3.28Å; D311-S313 PolarHBondContact OD1-N 3.45Å; D311-S313 PolarHBondContact OD1-OG 3.03Å
314	V	84.2	Confident	89.7	Confident	53 Å²	53	22 Å²	22	32%	0.321	15%	0.145	S	C	.	.			trans	-124.7	118.8	179.1	-177.4	0	0	0	0	108.5	A312 A319	A312-V314 PolarHBondContact O-N 2.88Å; V314-A319 HydrophobicContact CG1-CB 3.58Å
315	T	78.4	Confident	89.8	Confident	67 Å²	67	22.1 Å²	22.1	41%	0.411	15%	0.145	S	C	.	.			trans	-82.6	-23.9	-175.9	51.9	0	0	0	0	113.6	G119 G120 Y322	G119-T315 CarbonylContact C-O 3.57Å; G119-T315 WeakPolarHBondContact CA-O 3.08Å; G120-T315 PolarHBondContact N-O 2.84Å; T315-Y322 PolarHBondContact O-OH 3.29Å
316	S	81.4	Confident	89.8	Confident	48 Å²	48	22.4 Å²	22.4	34%	0.336	15%	0.147	S	C	.	.			trans	-79.6	140	-173.4	178.2	0	0	0	0	112.6	T318 A319 G320	S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 2.78Å; S316-T318 PolarHBondContact OG-N 2.67Å; S316-T318 PolarHBondContact OG-OG1 2.76Å; S316-A319 PolarHBondContact O-N 3.39Å; S316-G320 WeakPolarHBondContact O-CA 3.49Å; S316-G320 PolarHBondContact O-N 2.94Å
317	F	82.6	Confident	89.7	Confident	17 Å²	17	22.5 Å²	22.5	8%	0.075	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.9	174.1	-78.2	-44.1	0	0	0	114.9	I118 G119 H121 Y168 L174 L178 L181 Y322 N453	I118-F317 HydrophobicContact CG2-CE1 3.79Å; I118-F317 HydrophobicContact CG2-CZ 3.91Å; G119-F317 VanDerWaalsContact CA-CE1 3.5Å; H121-F317 AromaticContact CD2-CD2 3.91Å; H121-F317 AromaticContact CD2-CE2 3.17Å; H121-F317 WeakPolarHBondContact CD2-CE2 3.44Å; H121-F317 AromaticContact CD2-CZ 3.8Å; H121-F317 AromaticContact NE2-CD2 3.67Å; H121-F317 AromaticContact NE2-CE2 3.28Å; H121-F317 VanDerWaalsContact NE2-CE2 3.28Å; H121-F317 WeakPolarHBondContact NE2-CE2 3.5Å; Y168-F317 HydrophobicContact CD2-CE2 4.31Å; Y168-F317 HydrophobicContact CD2-CZ 4.21Å; Y168-F317 HydrophobicContact CE2-CE2 4.44Å; Y168-F317 HydrophobicContact CE2-CZ 4.06Å; L174-F317 HydrophobicContact CD1-CE1 3.82Å; L174-F317 HydrophobicContact CD1-CZ 3.97Å; L178-F317 HydrophobicContact CD1-CD1 4.45Å; L178-F317 HydrophobicContact CD2-CB 3.73Å; L178-F317 HydrophobicContact CD2-CD1 3.83Å; L178-F317 HydrophobicContact CD2-CD2 4.03Å; L178-F317 HydrophobicContact CD2-CE1 4.4Å; L178-F317 HydrophobicContact CD2-CG 3.64Å; L181-F317 HydrophobicContact CD1-CD2 4.44Å; F317-Y322 HydrophobicContact CD1-CD1 4.15Å; F317-Y322 AromaticContact CD1-CD2 3.86Å; F317-Y322 HydrophobicContact CD1-CD2 3.86Å; F317-Y322 AromaticContact CD1-CE1 3.98Å; F317-Y322 HydrophobicContact CD1-CE1 3.98Å; F317-Y322 AromaticContact CD1-CE2 3.66Å; F317-Y322 HydrophobicContact CD1-CE2 3.66Å; F317-Y322 HydrophobicContact CD1-CG 4.12Å; F317-Y322 AromaticContact CD1-CZ 3.75Å; F317-Y322 AromaticContact CE1-CD1 3.95Å; F317-Y322 HydrophobicContact CE1-CD1 3.95Å; F317-Y322 HydrophobicContact CE1-CD2 4.48Å; F317-Y322 AromaticContact CE1-CE1 3.78Å; F317-Y322 HydrophobicContact CE1-CE1 3.78Å; F317-Y322 HydrophobicContact CE1-CE2 4.31Å; F317-Y322 HydrophobicContact CE1-CG 4.34Å; F317-Y322 AromaticContact CE1-CZ 3.99Å; F317-N453 PolarHBondContact O-ND2 3.31Å; F317-N453 VanDerWaalsContact O-ND2 3.07Å
318	T	76.8	Confident	89.7	Confident	107 Å²	107	22.5 Å²	22.5	66%	0.656	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-40.4	179.9	58.7	0	0	0	0	111.1	S316 R454	S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 2.78Å; S316-T318 PolarHBondContact OG-N 2.67Å; S316-T318 PolarHBondContact OG-OG1 2.76Å; T318-R454 PolarHBondContact O-NH2 2.88Å
319	A	79.2	Confident	89.5	Confident	48 Å²	48	22.9 Å²	22.9	40%	0.397	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-26.8	-176.5	0	0	0	0	0	113.6	V314 S316 R454	V314-A319 HydrophobicContact CG1-CB 3.58Å; S316-A319 PolarHBondContact O-N 3.39Å; A319-R454 PolarHBondContact O-NE 3.35Å; A319-R454 PolarHBondContact O-NH2 2.87Å
320	G	84.4	Confident	89.2	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	-84	156.8	-176.8	0	0	0	0	0	113.3	S316 N453 R454	S316-G320 WeakPolarHBondContact O-CA 3.49Å; S316-G320 PolarHBondContact O-N 2.94Å; G320-N453 PolarHBondContact O-ND2 2.79Å; G320-N453 PolarHBondContact O-OD1 3.45Å; G320-R454 PolarHBondContact O-NE 2.64Å
321	S	89.6	Confident	89.1	Confident	9 Å²	9	23.4 Å²	23.4	6%	0.063	16%	0.155	C	C	.	.			trans	-94.6	114.3	171.3	-57.7	0	0	0	0	109.2	H310 D311 R454	H310-S321 VanDerWaalsContact CA-O 3.28Å; H310-S321 WeakPolarHBondContact CA-O 3.3Å; H310-S321 WeakPolarHBondContact CB-O 3.39Å; D311-S321 PolarHBondContact N-O 3.34Å; S321-R454 WeakPolarHBondContact OG-CD 3.3Å
322	Y	93.8	Very high	89.2	Confident	1 Å²	1	22.9 Å²	22.9	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.7	179.1	-70.5	-94.3	0	0	0	109.8	I118 G119 L174 H310 T315 F317 I452 N453	I118-Y322 HydrophobicContact CG2-CD1 4.31Å; I118-Y322 HydrophobicContact CG2-CE1 4Å; G119-Y322 VanDerWaalsContact CA-OH 3.31Å; G119-Y322 WeakPolarHBondContact CA-OH 3.43Å; G119-Y322 PolarHBondContact N-OH 2.91Å; L174-Y322 HydrophobicContact CD2-CD1 4.31Å; H310-Y322 HydrophobicContact CB-CD1 3.32Å; H310-Y322 HydrophobicContact CB-CE1 3.45Å; H310-Y322 VanDerWaalsContact CB-CE1 3.45Å; H310-Y322 HydrophobicContact CB-CG 3.9Å; H310-Y322 AromaticContact CD2-CE1 3.5Å; H310-Y322 AromaticContact CD2-CZ 3.88Å; H310-Y322 AromaticContact CG-CD1 3.72Å; H310-Y322 AromaticContact CG-CE1 3.36Å; H310-Y322 AromaticContact ND1-CE1 3.88Å; T315-Y322 PolarHBondContact O-OH 3.29Å; F317-Y322 HydrophobicContact CD1-CD1 4.15Å; F317-Y322 AromaticContact CD1-CD2 3.86Å; F317-Y322 HydrophobicContact CD1-CD2 3.86Å; F317-Y322 AromaticContact CD1-CE1 3.98Å; F317-Y322 HydrophobicContact CD1-CE1 3.98Å; F317-Y322 AromaticContact CD1-CE2 3.66Å; F317-Y322 HydrophobicContact CD1-CE2 3.66Å; F317-Y322 HydrophobicContact CD1-CG 4.12Å; F317-Y322 AromaticContact CD1-CZ 3.75Å; F317-Y322 AromaticContact CE1-CD1 3.95Å; F317-Y322 HydrophobicContact CE1-CD1 3.95Å; F317-Y322 HydrophobicContact CE1-CD2 4.48Å; F317-Y322 AromaticContact CE1-CE1 3.78Å; F317-Y322 HydrophobicContact CE1-CE1 3.78Å; F317-Y322 HydrophobicContact CE1-CE2 4.31Å; F317-Y322 HydrophobicContact CE1-CG 4.34Å; F317-Y322 AromaticContact CE1-CZ 3.99Å; Y322-I452 WeakPolarHBondContact O-CA 3.46Å; Y322-N453 PolarHBondContact N-OD1 3.26Å; Y322-N453 PolarHBondContact O-N 2.78Å; Y322-N453 VanDerWaalsContact O-N 3.13Å; Y322-N453 PolarHBondContact O-OD1 3.31Å
323	S	95.7	Very high	89.5	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.6	170	64.6	0	0	0	0	110.4	I308 V309 F451	I308-S323 CarbonylContact C-O 3.56Å; I308-S323 VanDerWaalsContact CA-O 3.27Å; I308-S323 WeakPolarHBondContact CA-O 3.42Å; I308-S323 WeakPolarHBondContact CG2-O 3.35Å; V309-S323 WeakPolarHBondContact CB-OG 3.47Å; V309-S323 PolarHBondContact N-O 3.27Å; V309-S323 PolarHBondContact O-N 2.91Å; V309-S323 PolarHBondContact O-OG 3.26Å; S323-F451 CarbonylContact C-O 3.56Å; S323-F451 WeakPolarHBondContact CA-O 3.42Å; S323-F451 WeakPolarHBondContact CB-O 3.26Å
324	S	97.3	Very high	89.8	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.6	176.3	-179.9	0	0	0	0	110.5	E306 Q307 F450 F451	E306-S324 WeakPolarHBondContact CG-OG 3.45Å; E306-S324 PolarHBondContact OE1-OG 2.95Å; Q307-S324 CarbonylContact O-C 3.4Å; Q307-S324 WeakPolarHBondContact O-CA 3.23Å; S324-F450 WeakPolarHBondContact O-CB 3.28Å; S324-F451 PolarHBondContact N-O 3.3Å; S324-F451 WeakPolarHBondContact O-CB 3Å; S324-F451 PolarHBondContact O-N 2.9Å
325	Y	98.1	Very high	90	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122	173	178.9	-113.4	0	0	0	109.5	E306 Q307 Q327 V445 F450 V504 A508	E306-Y325 WeakPolarHBondContact CA-O 3.35Å; Q307-Y325 PolarHBondContact N-O 3.4Å; Q307-Y325 PolarHBondContact O-N 2.92Å; Y325-Q327 HydrophobicContact CD1-CG 3.93Å; Y325-Q327 VanDerWaalsContact CE1-CD 3.44Å; Y325-Q327 HydrophobicContact CE1-CG 3.35Å; Y325-Q327 PolarHBondContact OH-NE2 3.28Å; Y325-V445 HydrophobicContact CE2-CG2 4.46Å; Y325-F450 HydrophobicContact CD2-CB 3.87Å; Y325-F450 HydrophobicContact CG-CB 4.44Å; Y325-V504 HydrophobicContact CE1-CG1 3.99Å; Y325-V504 VanDerWaalsContact OH-CG1 3.3Å; Y325-V504 WeakPolarHBondContact OH-CG1 3.29Å; Y325-A508 HydrophobicContact CD1-CB 3.4Å; Y325-A508 HydrophobicContact CD2-CB 4.22Å; Y325-A508 HydrophobicContact CE1-CB 3.76Å; Y325-A508 HydrophobicContact CG-CB 3.65Å
326	V	97.9	Very high	90.5	Very high	8 Å²	8	15 Å²	15	5%	0.048	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.6	-175	-179	0	0	0	0	110.8	E304 E306 F372 Q482	E304-V326 HydrophobicContact CG-CG1 3.44Å; E304-V326 VanDerWaalsContact CG-CG1 3.44Å; E306-V326 HydrophobicContact CB-CG2 4.15Å; E306-V326 HydrophobicContact CG-CG2 3.92Å; V326-F372 HydrophobicContact CG1-CD1 4.4Å; V326-F372 HydrophobicContact CG1-CE1 3.81Å; V326-Q482 PolarHBondContact O-NE2 3.34Å
327	Q	96.8	Very high	90.9	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.6	173.5	-49.1	-165.9	-71.2	0	0	110.4	T305 Y325 Q501 V504	T305-Q327 PolarHBondContact N-O 2.91Å; T305-Q327 PolarHBondContact O-N 3.28Å; Y325-Q327 HydrophobicContact CD1-CG 3.93Å; Y325-Q327 VanDerWaalsContact CE1-CD 3.44Å; Y325-Q327 HydrophobicContact CE1-CG 3.35Å; Y325-Q327 PolarHBondContact OH-NE2 3.28Å; Q327-Q501 PolarHBondContact OE1-O 3.4Å; Q327-V504 VanDerWaalsContact NE2-CB 3.25Å
328	V	96	Very high	91	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.5	179.5	178.2	0	0	0	0	110.4	E302 V303 E304 F372 V485 L486 R487 T488	E302-V328 HydrophobicContact CG-CG1 3.93Å; V303-V328 WeakPolarHBondContact O-CA 3.37Å; E304-V328 HydrophobicContact CG-CG2 4.41Å; V328-F372 HydrophobicContact CG2-CD2 4.43Å; V328-F372 HydrophobicContact CG2-CE1 4.07Å; V328-F372 HydrophobicContact CG2-CE2 3.61Å; V328-F372 HydrophobicContact CG2-CZ 3.39Å; V328-V485 HydrophobicContact CB-CG2 4.32Å; V328-V485 HydrophobicContact CG2-CG2 3.85Å; V328-L486 PolarHBondContact N-O 3.16Å; V328-R487 CarbonylContact O-C 3.54Å; V328-R487 VanDerWaalsContact O-CA 3.3Å; V328-R487 WeakPolarHBondContact O-CA 3.4Å; V328-T488 PolarHBondContact O-N 2.96Å
329	R	93.3	Very high	91	Very high	9 Å²	9	10.2 Å²	10.2	3%	0.034	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	165.7	68.4	177.7	-170.5	-150.7	2.7	109.8	E302 V303 T488 L545	E302-R329 CarbonylContact C-O 3.6Å; E302-R329 WeakPolarHBondContact CA-O 3.42Å; V303-R329 HydrophobicContact CB-CG 3.84Å; V303-R329 HydrophobicContact CG2-CG 4.49Å; V303-R329 PolarHBondContact N-O 3.18Å; V303-R329 PolarHBondContact O-N 3.12Å; R329-T488 WeakPolarHBondContact CA-O 3.11Å; R329-T488 VanDerWaalsContact CB-OG1 3.22Å; R329-T488 WeakPolarHBondContact CB-OG1 3.46Å; R329-L545 VanDerWaalsContact NH2-CG 3.28Å
330	G	91.5	Very high	90.8	Very high	10 Å²	10	12.1 Å²	12.1	10%	0.103	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-177.9	175.7	0	0	0	0	0	111.8	T488	G330-T488 PolarHBondContact N-O 2.82Å
331	S	91.9	Very high	90	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.049	10%	0.098	C	C	.	.	S	Bend	trans	-60.1	157.3	168.6	-172.8	0	0	0	0	111.4	G292 A300 W336 R487	G292-S331 WeakPolarHBondContact CA-OG 3.3Å; G292-S331 PolarHBondContact N-OG 3.13Å; G292-S331 WeakPolarHBondContact O-CB 3.29Å; G292-S331 PolarHBondContact O-OG 3.38Å; A300-S331 VanDerWaalsContact O-CB 3.28Å; A300-S331 WeakPolarHBondContact O-CB 3.47Å; A300-S331 PolarHBondContact O-N 3.05Å; A300-S331 VanDerWaalsContact O-N 3.13Å; S331-W336 WeakPolarHBondContact OG-CZ2 3.18Å; S331-R487 PolarHBondContact O-NH2 3.22Å
332	V	92.4	Very high	88.7	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.006	11%	0.108	C	C	.	.			trans	-62.7	130.4	171.9	173.2	0	0	0	0	108.3	L334 W336 L394 L398 N489	V332-L334 HydrophobicContact CG1-CB 4.28Å; V332-L334 HydrophobicContact CG1-CD1 3.67Å; V332-L334 HydrophobicContact CG1-CG 3.82Å; V332-L334 PolarHBondContact O-N 3.26Å; V332-W336 PolarHBondContact O-NE1 3.15Å; V332-L394 HydrophobicContact CG1-CB 4.44Å; V332-L398 HydrophobicContact CG1-CB 4.31Å; V332-L398 HydrophobicContact CG1-CD2 4.12Å; V332-N489 HydrophobicContact CG2-CB 4.2Å
333	P	92.8	Very high	87.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-79.9	61.2	-171.5	37.4	-36	0	0	0	111.4	V299 H364 F365 L398	V299-P333 HydrophobicContact CG1-CB 3.78Å; P333-H364 HydrophobicContact CB-CB 4.24Å; P333-F365 HydrophobicContact CG-CE2 4.15Å; P333-F365 HydrophobicContact CG-CZ 4Å; P333-L398 HydrophobicContact CG-CD1 3.72Å
334	L	91.3	Very high	86.1	Confident	17 Å²	17	29.6 Å²	29.6	9%	0.089	16%	0.164	C	C	.	.	S	Bend	trans	-133.2	163.9	179.1	-65.3	174.6	0	0	0	108.9	G292 A293 V332 W336 L394 E397 L398	G292-L334 CarbonylContact C-O 3.59Å; G292-L334 WeakPolarHBondContact CA-O 3.34Å; A293-L334 PolarHBondContact N-O 2.69Å; V332-L334 HydrophobicContact CG1-CB 4.28Å; V332-L334 HydrophobicContact CG1-CD1 3.67Å; V332-L334 HydrophobicContact CG1-CG 3.82Å; V332-L334 PolarHBondContact O-N 3.26Å; L334-W336 VanDerWaalsContact O-CD1 3.28Å; L334-W336 PolarHBondContact O-N 3.1Å; L334-L394 HydrophobicContact CD1-CD2 4.35Å; L334-E397 HydrophobicContact CD1-CB 3.57Å; L334-L398 HydrophobicContact CD1-CB 4.1Å
335	Y	88.5	Confident	84.6	Confident	22 Å²	22	34.3 Å²	34.3	9%	0.086	20%	0.195	C	C	.	.	S	Bend	trans	-85.6	94	175.1	-154.2	-103.9	0	0	0	110.6	A293 D352 Q353 I360 F618 Q622	A293-Y335 WeakPolarHBondContact O-CD2 3.37Å; Y335-D352 HydrophobicContact CD1-CB 3.51Å; Y335-D352 HydrophobicContact CE1-CB 3.52Å; Y335-D352 PolarHBondContact O-N 2.97Å; Y335-D352 VanDerWaalsContact O-N 3.15Å; Y335-Q353 HydrophobicContact CD1-CB 3.3Å; Y335-Q353 HydrophobicContact CE1-CB 3.83Å; Y335-Q353 HydrophobicContact CG-CB 3.99Å; Y335-I360 HydrophobicContact CD2-CD1 4.01Å; Y335-I360 HydrophobicContact CG-CD1 4.34Å; Y335-F618 HydrophobicContact CE1-CE2 4.38Å; Y335-F618 HydrophobicContact CE1-CZ 4.28Å; Y335-F618 AromaticContact CZ-CE2 3.99Å; Y335-F618 AromaticContact CZ-CZ 3.92Å; Y335-F618 VanDerWaalsContact OH-CE2 3.27Å; Y335-F618 WeakPolarHBondContact OH-CE2 3.11Å; Y335-F618 WeakPolarHBondContact OH-CZ 3.26Å; Y335-Q622 VanDerWaalsContact CE2-NE2 3.32Å; Y335-Q622 PolarHBondContact OH-NE2 2.97Å; Y335-Q622 VanDerWaalsContact OH-NE2 3.1Å
336	W	90.1	Very high	83.5	Confident	5 Å²	5	40 Å²	40	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.4	-176.9	71	-82.2	0	0	0	113.2	R291 G292 S331 V332 L334 Q338 I349 R350 L351 L394 V491	R291-W336 CarbonylContact C-O 3.52Å; R291-W336 VanDerWaalsContact C-O 3.3Å; R291-W336 HydrophobicContact CB-CD2 4.07Å; R291-W336 HydrophobicContact CB-CE3 3.84Å; R291-W336 HydrophobicContact CB-CH2 3.78Å; R291-W336 HydrophobicContact CB-CZ2 3.96Å; R291-W336 HydrophobicContact CB-CZ3 3.72Å; R291-W336 VanDerWaalsContact CD-CH2 3.44Å; R291-W336 HydrophobicContact CG-CE3 4.31Å; R291-W336 HydrophobicContact CG-CH2 3.77Å; R291-W336 HydrophobicContact CG-CZ2 4.39Å; R291-W336 HydrophobicContact CG-CZ3 3.73Å; G292-W336 PolarHBondContact N-O 3.28Å; S331-W336 WeakPolarHBondContact OG-CZ2 3.18Å; V332-W336 PolarHBondContact O-NE1 3.15Å; L334-W336 VanDerWaalsContact O-CD1 3.28Å; L334-W336 PolarHBondContact O-N 3.1Å; W336-Q338 HydrophobicContact CE3-CG 4.37Å; W336-Q338 HydrophobicContact CZ3-CG 3.84Å; W336-I349 HydrophobicContact CD2-CG2 4.44Å; W336-I349 HydrophobicContact CE3-CG1 4.47Å; W336-I349 HydrophobicContact CE3-CG2 3.75Å; W336-I349 HydrophobicContact CZ3-CD1 4.32Å; W336-I349 HydrophobicContact CZ3-CG1 4.23Å; W336-I349 HydrophobicContact CZ3-CG2 4.33Å; W336-R350 CarbonylContact C-O 3.47Å; W336-R350 WeakPolarHBondContact CA-O 3.42Å; W336-R350 VanDerWaalsContact CB-O 3.32Å; W336-R350 WeakPolarHBondContact CB-O 3.48Å; W336-L351 HydrophobicContact CB-CD2 4.07Å; W336-L394 HydrophobicContact CB-CD2 3.93Å; W336-L394 HydrophobicContact CD2-CD1 3.93Å; W336-L394 HydrophobicContact CD2-CD2 3.72Å; W336-L394 HydrophobicContact CD2-CG 4.49Å; W336-L394 HydrophobicContact CE3-CD1 4.08Å; W336-L394 HydrophobicContact CE3-CD2 4.34Å; W336-L394 HydrophobicContact CG-CD2 3.51Å; W336-L394 HydrophobicContact CH2-CD1 3.98Å; W336-L394 HydrophobicContact CZ2-CD1 3.86Å; W336-L394 HydrophobicContact CZ3-CD1 4.08Å; W336-V491 HydrophobicContact CH2-CG1 3.94Å; W336-V491 HydrophobicContact CH2-CG2 4.35Å; W336-V491 HydrophobicContact CZ3-CG1 4.36Å
337	S	88	Confident	82.6	Confident	30 Å²	30	39.9 Å²	39.9	21%	0.21	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	171.3	179.6	70.4	0	0	0	0	111.5	R350 D352	S337-R350 PolarHBondContact N-O 2.82Å; S337-R350 PolarHBondContact O-N 3.27Å; S337-D352 WeakPolarHBondContact CB-OD2 3.47Å; S337-D352 PolarHBondContact N-OD2 3.19Å; S337-D352 VanDerWaalsContact N-OD2 3.09Å; S337-D352 VanDerWaalsContact OG-CG 3.25Å; S337-D352 PolarHBondContact OG-OD1 3.04Å; S337-D352 PolarHBondContact OG-OD2 3.18Å; S337-D352 VanDerWaalsContact OG-OD2 3.05Å
338	Q	85.6	Confident	82	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.2	169	-67.3	-172.3	-92.8	0	0	109.3	R291 W336 I340 P347 P348 I349	R291-Q338 HydrophobicContact CG-CG 4.4Å; W336-Q338 HydrophobicContact CE3-CG 4.37Å; W336-Q338 HydrophobicContact CZ3-CG 3.84Å; Q338-I340 PolarHBondContact O-N 2.98Å; Q338-I340 VanDerWaalsContact O-N 3.16Å; Q338-P347 HydrophobicContact CB-CB 4.27Å; Q338-P347 HydrophobicContact CB-CG 4.48Å; Q338-P347 PolarHBondContact NE2-O 2.91Å; Q338-P348 WeakPolarHBondContact CA-O 3.29Å; Q338-I349 HydrophobicContact CG-CG1 4.13Å
339	D	76.3	Confident	81.6	Confident	34 Å²	34	43.3 Å²	43.3	18%	0.182	24%	0.24	C	C	.	.			trans	-80.4	99.1	-178.1	-166.4	-13.2	0	0	0	111.9	S341 T342 P347 P348 R350	D339-S341 VanDerWaalsContact C-N 3.27Å; D339-S341 VanDerWaalsContact CG-OG 3.24Å; D339-S341 PolarHBondContact O-N 2.78Å; D339-S341 VanDerWaalsContact OD1-CB 3.26Å; D339-S341 WeakPolarHBondContact OD1-CB 3.23Å; D339-S341 PolarHBondContact OD1-N 3.02Å; D339-S341 PolarHBondContact OD1-OG 3.45Å; D339-S341 PolarHBondContact OD2-OG 3.07Å; D339-T342 PolarHBondContact O-OG1 2.78Å; D339-P347 WeakPolarHBondContact O-CB 3.34Å; D339-P348 HydrophobicContact CB-CG 4.26Å; D339-P348 PolarHBondContact N-O 2.71Å; D339-R350 IonicContact OD2-CZ 3.34Å; D339-R350 IonicContact OD2-NH1 3.64Å; D339-R350 PolarHBondContact OD2-NH1 3.01Å; D339-R350 IonicContact OD2-NH2 3.81Å
340	I	74.6	Confident	81.3	Confident	89 Å²	89	48.3 Å²	48.3	46%	0.456	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.5	-179.9	60.2	153.3	0	0	0	114.4	F288 L289 Q338 T342	F288-I340 HydrophobicContact CB-CG2 3.56Å; L289-I340 HydrophobicContact CD2-CD1 3.4Å; L289-I340 HydrophobicContact CD2-CG1 4.36Å; L289-I340 HydrophobicContact CG-CD1 4.29Å; Q338-I340 PolarHBondContact O-N 2.98Å; Q338-I340 VanDerWaalsContact O-N 3.16Å; I340-T342 PolarHBondContact O-N 3.12Å
341	S	69.2	Low	81.1	Confident	94 Å²	94	51.1 Å²	51.1	66%	0.657	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	178.5	64.3	0	0	0	0	112.2	D339	D339-S341 VanDerWaalsContact C-N 3.27Å; D339-S341 VanDerWaalsContact CG-OG 3.24Å; D339-S341 PolarHBondContact O-N 2.78Å; D339-S341 VanDerWaalsContact OD1-CB 3.26Å; D339-S341 WeakPolarHBondContact OD1-CB 3.23Å; D339-S341 PolarHBondContact OD1-N 3.02Å; D339-S341 PolarHBondContact OD1-OG 3.45Å; D339-S341 PolarHBondContact OD2-OG 3.07Å
342	T	62.2	Low	80.5	Confident	45 Å²	45	54 Å²	54	28%	0.276	29%	0.286	S	S	.	.	S	Bend	trans	-88	120.9	174.4	68	0	0	0	0	108.7	D339 I340 M344	D339-T342 PolarHBondContact O-OG1 2.78Å; I340-T342 PolarHBondContact O-N 3.12Å; T342-M344 HydrophobicContact CG2-CE 4.47Å; T342-M344 PolarHBondContact O-N 3Å
343	M	66.4	Low	80	Confident	125 Å²	125	58.1 Å²	58.1	62%	0.616	31%	0.305	S	S	*	.			trans	-69.7	32.8	174.2	-161.4	179.1	177.8	0	0	112.1	Y581 F586	M343-Y581 HydrophobicContact CE-CE1 4.47Å; M343-Y581 WeakPolarHBondContact CE-OH 3.28Å; M343-F586 HydrophobicContact CE-CE2 4.4Å; M343-F586 HydrophobicContact CE-CZ 3.97Å
344	M	68.8	Low	79.3	Confident	114 Å²	114	62.4 Å²	62.4	56%	0.562	34%	0.341	S	S	*	.			trans	-78	141	179.7	-70.7	-174	-172.9	0	0	109.8	T342 K346	T342-M344 HydrophobicContact CG2-CE 4.47Å; T342-M344 PolarHBondContact O-N 3Å; M344-K346 PolarHBondContact O-N 2.92Å
345	P	65.6	Low	78.9	Confident	100 Å²	100	63.8 Å²	63.8	65%	0.649	35%	0.348	S	S	*	.	S	Bend	trans	-57.8	-22.9	176.2	-26.5	34.5	0	0	0	114.5
346	K	73.2	Confident	78.7	Confident	121 Å²	121	67.5 Å²	67.5	53%	0.526	38%	0.375	S	S	.	.	S	Bend	trans	-138	93.8	176.9	-69.4	-172.3	179.6	-177.9	0	109.9	M344	M344-K346 PolarHBondContact O-N 2.92Å
347	P	79.8	Confident	78.4	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.026	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-68.4	140.4	-178.4	3.1	4.7	0	0	0	111.2	F288 Q338 D339 H390	F288-P347 HydrophobicContact CD1-CG 4.21Å; F288-P347 HydrophobicContact CD2-CG 4.5Å; F288-P347 HydrophobicContact CE1-CG 4.32Å; F288-P347 HydrophobicContact CG-CG 4.32Å; F288-P347 HydrophobicContact CZ-CG 4.49Å; Q338-P347 HydrophobicContact CB-CB 4.27Å; Q338-P347 HydrophobicContact CB-CG 4.48Å; Q338-P347 PolarHBondContact NE2-O 2.91Å; D339-P347 WeakPolarHBondContact O-CB 3.34Å; P347-H390 PolarHBondContact O-CE1 2.86Å; P347-H390 VanDerWaalsContact O-CE1 3.25Å
348	P	84.2	Confident	78.5	Confident	56 Å²	56	72.3 Å²	72.3	36%	0.364	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.7	-175.2	26.5	-34.3	0	0	0	111.6	Q338 D339	Q338-P348 WeakPolarHBondContact CA-O 3.29Å; D339-P348 HydrophobicContact CB-CG 4.26Å; D339-P348 PolarHBondContact N-O 2.71Å
349	I	88.1	Confident	78.6	Confident	18 Å²	18	74.8 Å²	74.8	9%	0.092	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.7	176.7	-63.2	177	0	0	0	108.4	W336 Q338 L394 V491	W336-I349 HydrophobicContact CD2-CG2 4.44Å; W336-I349 HydrophobicContact CE3-CG1 4.47Å; W336-I349 HydrophobicContact CE3-CG2 3.75Å; W336-I349 HydrophobicContact CZ3-CD1 4.32Å; W336-I349 HydrophobicContact CZ3-CG1 4.23Å; W336-I349 HydrophobicContact CZ3-CG2 4.33Å; Q338-I349 HydrophobicContact CG-CG1 4.13Å; I349-L394 HydrophobicContact CD1-CD1 3.84Å; I349-L394 HydrophobicContact CD1-CG 4.47Å; I349-L394 HydrophobicContact CG2-CD1 4.21Å; I349-L394 HydrophobicContact CG2-CD2 4.06Å; I349-L394 HydrophobicContact CG2-CG 4.1Å; I349-V491 HydrophobicContact CD1-CG1 3.85Å
350	R	86.8	Confident	79.2	Confident	115 Å²	115	73.7 Å²	73.7	43%	0.434	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	174.1	-62.4	-169.1	-61.1	-146.9	-7.2	109.9	W336 S337 D339	W336-R350 CarbonylContact C-O 3.47Å; W336-R350 WeakPolarHBondContact CA-O 3.42Å; W336-R350 VanDerWaalsContact CB-O 3.32Å; W336-R350 WeakPolarHBondContact CB-O 3.48Å; S337-R350 PolarHBondContact N-O 2.82Å; S337-R350 PolarHBondContact O-N 3.27Å; D339-R350 IonicContact OD2-CZ 3.34Å; D339-R350 IonicContact OD2-NH1 3.64Å; D339-R350 PolarHBondContact OD2-NH1 3.01Å; D339-R350 IonicContact OD2-NH2 3.81Å
351	L	86.6	Confident	80	Confident	69 Å²	69	69.5 Å²	69.5	36%	0.361	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.5	166.9	-60.4	173.5	0	0	0	106.3	W336 Q353 I393 L394 E397	W336-L351 HydrophobicContact CB-CD2 4.07Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-I393 HydrophobicContact CD1-CG2 3.91Å; L351-I393 HydrophobicContact CG-CG2 4.22Å; L351-L394 HydrophobicContact CD2-CD2 4.04Å; L351-E397 HydrophobicContact CD1-CG 3.57Å; L351-E397 HydrophobicContact CD2-CG 4.24Å
352	D	80.4	Confident	81.2	Confident	66 Å²	66	65.1 Å²	65.1	35%	0.353	35%	0.346	S	S	.	.			trans	-80.2	-21.1	-169.6	-52.6	-50.7	0	0	0	111.7	Y335 S337	Y335-D352 HydrophobicContact CD1-CB 3.51Å; Y335-D352 HydrophobicContact CE1-CB 3.52Å; Y335-D352 PolarHBondContact O-N 2.97Å; Y335-D352 VanDerWaalsContact O-N 3.15Å; S337-D352 WeakPolarHBondContact CB-OD2 3.47Å; S337-D352 PolarHBondContact N-OD2 3.19Å; S337-D352 VanDerWaalsContact N-OD2 3.09Å; S337-D352 VanDerWaalsContact OG-CG 3.25Å; S337-D352 PolarHBondContact OG-OD1 3.04Å; S337-D352 PolarHBondContact OG-OD2 3.18Å; S337-D352 VanDerWaalsContact OG-OD2 3.05Å
353	Q	81.2	Confident	82.6	Confident	89 Å²	89	64.5 Å²	64.5	42%	0.416	34%	0.341	S	S	.	.	S	Bend	trans	-149.8	136.3	-178.9	-173	179.7	-29.9	0	0	110	Y335 L351	Y335-Q353 HydrophobicContact CD1-CB 3.3Å; Y335-Q353 HydrophobicContact CE1-CB 3.83Å; Y335-Q353 HydrophobicContact CG-CB 3.99Å; L351-Q353 VanDerWaalsContact C-N 3.33Å
354	A	78.7	Confident	83.9	Confident	90 Å²	90	58.5 Å²	58.5	74%	0.744	31%	0.312	S	S	*	.			trans	-77.7	126.8	170.1	0	0	0	0	0	110.1	P356	A354-P356 WeakPolarHBondContact O-CD 3.35Å
355	D	82.9	Confident	85.2	Confident	46 Å²	46	53.1 Å²	53.1	25%	0.246	29%	0.285	C	S	.	.			trans	-119.4	80	176.5	-174.7	8	0	0	0	109.7	Y357 A358 N359 I360	D355-Y357 PolarHBondContact O-N 2.91Å; D355-A358 PolarHBondContact O-N 3.5Å; D355-A358 PolarHBondContact OD1-N 2.9Å; D355-A358 VanDerWaalsContact OD1-N 3.15Å; D355-A358 VanDerWaalsContact OD2-C 3.26Å; D355-A358 WeakPolarHBondContact OD2-CA 3.2Å; D355-N359 VanDerWaalsContact CG-N 3.33Å; D355-N359 PolarHBondContact OD1-N 2.94Å; D355-N359 PolarHBondContact OD2-N 2.9Å; D355-I360 PolarHBondContact OD2-N 2.82Å
356	P	83.6	Confident	86.6	Confident	100 Å²	100	48.6 Å²	48.6	65%	0.649	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.2	-174.2	26.3	-34.5	0	0	0	113.4	A354	A354-P356 WeakPolarHBondContact O-CD 3.35Å
357	Y	84.4	Confident	87.6	Confident	131 Å²	131	44.9 Å²	44.9	51%	0.514	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.8	-179.3	-58.9	-69.1	0	0	0	113	D355 N359 Y635	D355-Y357 PolarHBondContact O-N 2.91Å; Y357-N359 PolarHBondContact O-N 3.05Å; Y357-N359 VanDerWaalsContact O-N 3.08Å; Y357-Y635 HydrophobicContact CD2-CE1 4.1Å; Y357-Y635 HydrophobicContact CG-CD1 4.05Å; Y357-Y635 HydrophobicContact CG-CE1 4.04Å
358	A	89.4	Confident	88.3	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.033	24%	0.239	C	C	.	.			trans	51.6	33.5	179.6	0	0	0	0	0	113.9	D355 I360 A361 A362 A401 L405	D355-A358 PolarHBondContact O-N 3.5Å; D355-A358 PolarHBondContact OD1-N 2.9Å; D355-A358 VanDerWaalsContact OD1-N 3.15Å; D355-A358 VanDerWaalsContact OD2-C 3.26Å; D355-A358 WeakPolarHBondContact OD2-CA 3.2Å; A358-I360 VanDerWaalsContact C-N 3.32Å; A358-I360 PolarHBondContact O-N 3.11Å; A358-A361 HydrophobicContact CB-CB 4.3Å; A358-A361 PolarHBondContact O-N 3.03Å; A358-A362 WeakPolarHBondContact O-CB 3.48Å; A358-A362 PolarHBondContact O-N 3.45Å; A358-A401 HydrophobicContact CB-CB 3.64Å; A358-L405 HydrophobicContact CB-CD2 4.29Å; A358-L405 HydrophobicContact CB-CG 4.34Å
359	N	88.1	Confident	88.8	Confident	61 Å²	61	42.2 Å²	42.2	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-41.2	-174.4	-177.8	38.6	0	0	0	112.3	D355 Y357 A361 A362 L363	D355-N359 VanDerWaalsContact CG-N 3.33Å; D355-N359 PolarHBondContact OD1-N 2.94Å; D355-N359 PolarHBondContact OD2-N 2.9Å; Y357-N359 PolarHBondContact O-N 3.05Å; Y357-N359 VanDerWaalsContact O-N 3.08Å; N359-A361 VanDerWaalsContact C-N 3.35Å; N359-A362 WeakPolarHBondContact O-CB 3.48Å; N359-A362 PolarHBondContact O-N 3.31Å; N359-L363 WeakPolarHBondContact O-CG 3.38Å; N359-L363 PolarHBondContact O-N 3.07Å
360	I	88.8	Confident	89.1	Confident	10 Å²	10	44 Å²	44	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-39.8	-179.6	-63	164.6	0	0	0	110.4	A293 Y335 D355 A358 A362 H364	A293-I360 HydrophobicContact CB-CG2 3.54Å; Y335-I360 HydrophobicContact CD2-CD1 4.01Å; Y335-I360 HydrophobicContact CG-CD1 4.34Å; D355-I360 PolarHBondContact OD2-N 2.82Å; A358-I360 VanDerWaalsContact C-N 3.32Å; A358-I360 PolarHBondContact O-N 3.11Å; I360-A362 VanDerWaalsContact C-N 3.34Å; I360-H364 WeakPolarHBondContact O-CB 3.35Å; I360-H364 PolarHBondContact O-N 3.1Å; I360-H364 VanDerWaalsContact O-N 3.08Å
361	A	92.6	Very high	89.4	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-40	175	0	0	0	0	0	111	A358 N359 H364 F365 L405	A358-A361 HydrophobicContact CB-CB 4.3Å; A358-A361 PolarHBondContact O-N 3.03Å; N359-A361 VanDerWaalsContact C-N 3.35Å; A361-H364 PolarHBondContact O-N 3.03Å; A361-F365 HydrophobicContact CB-CD2 4.27Å; A361-F365 HydrophobicContact CB-CE2 4.15Å; A361-F365 WeakPolarHBondContact O-CB 3.45Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 WeakPolarHBondContact O-CG 3.44Å; A361-F365 PolarHBondContact O-N 3.46Å; A361-L405 HydrophobicContact CB-CD1 4.1Å
362	A	93.1	Very high	89.8	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-55.8	173.2	0	0	0	0	0	111.6	A358 N359 I360 H364 F365 D366 L405 W638	A358-A362 WeakPolarHBondContact O-CB 3.48Å; A358-A362 PolarHBondContact O-N 3.45Å; N359-A362 WeakPolarHBondContact O-CB 3.48Å; N359-A362 PolarHBondContact O-N 3.31Å; I360-A362 VanDerWaalsContact C-N 3.34Å; A362-H364 VanDerWaalsContact C-N 3.25Å; A362-H364 PolarHBondContact O-N 3.18Å; A362-F365 PolarHBondContact O-N 3.29Å; A362-D366 WeakPolarHBondContact O-CB 3.32Å; A362-D366 PolarHBondContact O-N 3.41Å; A362-L405 HydrophobicContact CB-CD2 3.63Å; A362-W638 HydrophobicContact CB-CB 3.79Å; A362-W638 HydrophobicContact CB-CD2 3.87Å; A362-W638 HydrophobicContact CB-CE3 3.71Å; A362-W638 HydrophobicContact CB-CG 3.94Å; A362-W638 VanDerWaalsContact O-CZ3 3.31Å; A362-W638 WeakPolarHBondContact O-CZ3 3.47Å
363	L	92.1	Very high	90.5	Very high	31 Å²	31	33.8 Å²	33.8	16%	0.162	18%	0.182	C	C	.	.	H	α-helix	trans	-55.8	-42.4	178.5	-71.7	171.6	0	0	0	111.9	N359 D366 Q367	N359-L363 WeakPolarHBondContact O-CG 3.38Å; N359-L363 PolarHBondContact O-N 3.07Å; L363-D366 PolarHBondContact O-N 3.07Å; L363-Q367 WeakPolarHBondContact O-CG 3.39Å; L363-Q367 PolarHBondContact O-N 3.15Å
364	H	94.4	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-47.6	178.2	-178.4	70.1	0	0	0	112.6	G297 V299 E302 P333 I360 A361 A362 D366 Q367 M368 R487	G297-H364 VanDerWaalsContact O-CB 3.28Å; G297-H364 WeakPolarHBondContact O-CB 3.13Å; G297-H364 PolarHBondContact O-ND1 3.21Å; V299-H364 VanDerWaalsContact CG1-CE1 3.48Å; V299-H364 WeakPolarHBondContact CG1-CE1 3.38Å; V299-H364 WeakPolarHBondContact CG1-ND1 3.46Å; E302-H364 IonicContact OE2-CE1 3.73Å; P333-H364 HydrophobicContact CB-CB 4.24Å; I360-H364 WeakPolarHBondContact O-CB 3.35Å; I360-H364 PolarHBondContact O-N 3.1Å; I360-H364 VanDerWaalsContact O-N 3.08Å; A361-H364 PolarHBondContact O-N 3.03Å; A362-H364 VanDerWaalsContact C-N 3.25Å; A362-H364 PolarHBondContact O-N 3.18Å; H364-D366 VanDerWaalsContact C-N 3.28Å; H364-D366 PolarHBondContact O-N 3.48Å; H364-Q367 PolarHBondContact O-N 3.37Å; H364-M368 PolarHBondContact NE2-SD 2.89Å; H364-M368 VanDerWaalsContact NE2-SD 3.43Å; H364-M368 WeakPolarHBondContact O-CG 3.5Å; H364-M368 PolarHBondContact O-N 3.24Å; H364-M368 VanDerWaalsContact O-N 3.13Å; H364-R487 PolarHBondContact CD2-NH1 2.8Å; H364-R487 PolarHBondContact NE2-NH1 3.29Å; H364-R487 PolarHBondContact NE2-NH2 3.48Å
365	F	95.3	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-24.3	-179.7	-70.4	-58.4	0	0	0	112.6	P333 A361 A362 M368 L369 I376 I378 V402 L405 I415 R487 W638	P333-F365 HydrophobicContact CG-CE2 4.15Å; P333-F365 HydrophobicContact CG-CZ 4Å; A361-F365 HydrophobicContact CB-CD2 4.27Å; A361-F365 HydrophobicContact CB-CE2 4.15Å; A361-F365 WeakPolarHBondContact O-CB 3.45Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 WeakPolarHBondContact O-CG 3.44Å; A361-F365 PolarHBondContact O-N 3.46Å; A362-F365 PolarHBondContact O-N 3.29Å; F365-M368 HydrophobicContact CD1-SD 3.83Å; F365-M368 HydrophobicContact CE1-SD 4.05Å; F365-M368 PolarHBondContact O-N 3.28Å; F365-L369 WeakPolarHBondContact O-CG 3.05Å; F365-L369 PolarHBondContact O-N 3.44Å; F365-I376 HydrophobicContact CD1-CD1 4.27Å; F365-I376 HydrophobicContact CD1-CG2 4.26Å; F365-I376 HydrophobicContact CE1-CG2 4.29Å; F365-I378 HydrophobicContact CE1-CD1 3.72Å; F365-I378 HydrophobicContact CE1-CG1 4.15Å; F365-I378 HydrophobicContact CE2-CD1 4.34Å; F365-I378 HydrophobicContact CZ-CD1 3.39Å; F365-I378 HydrophobicContact CZ-CG1 4.26Å; F365-V402 HydrophobicContact CE2-CG2 4.32Å; F365-L405 HydrophobicContact CD2-CD1 3.67Å; F365-L405 HydrophobicContact CE2-CD1 4.29Å; F365-I415 HydrophobicContact CB-CD1 3.86Å; F365-I415 HydrophobicContact CD1-CD1 4.1Å; F365-I415 HydrophobicContact CD2-CD1 3.9Å; F365-I415 HydrophobicContact CG-CD1 3.69Å; F365-R487 VanDerWaalsContact CZ-NH1 3.33Å; F365-W638 HydrophobicContact CB-CH2 4Å; F365-W638 HydrophobicContact CB-CZ3 4.02Å
366	D	94.6	Very high	92.5	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-51.9	171.6	-178.3	40.5	0	0	0	110.4	A362 L363 H364 M368 L369 Q370 W638 W639 S640	A362-D366 WeakPolarHBondContact O-CB 3.32Å; A362-D366 PolarHBondContact O-N 3.41Å; L363-D366 PolarHBondContact O-N 3.07Å; H364-D366 VanDerWaalsContact C-N 3.28Å; H364-D366 PolarHBondContact O-N 3.48Å; D366-M368 PolarHBondContact O-N 3.37Å; D366-L369 PolarHBondContact O-N 3.4Å; D366-L369 VanDerWaalsContact O-N 3.09Å; D366-Q370 WeakPolarHBondContact O-CB 3.48Å; D366-Q370 PolarHBondContact O-N 3.37Å; D366-W638 HydrophobicContact CB-CE3 4.26Å; D366-W638 HydrophobicContact CB-CZ3 4.1Å; D366-W639 WeakPolarHBondContact OD1-CA 3.46Å; D366-W639 VanDerWaalsContact OD1-CB 3.29Å; D366-W639 WeakPolarHBondContact OD1-CB 3.01Å; D366-S640 PolarHBondContact OD1-N 3.28Å; D366-S640 WeakPolarHBondContact OD2-CB 3.21Å; D366-S640 PolarHBondContact OD2-N 2.99Å; D366-S640 VanDerWaalsContact OD2-N 3.09Å; D366-S640 PolarHBondContact OD2-OG 3.09Å
367	Q	93.8	Very high	93.2	Very high	43 Å²	43	19.1 Å²	19.1	20%	0.201	9%	0.09	C	C	.	.	H	α-helix	trans	-55.9	-37.6	173.8	-67.1	178.1	13.1	0	0	112.2	E296 L363 H364 R371	E296-Q367 PolarHBondContact O-NE2 2.96Å; L363-Q367 WeakPolarHBondContact O-CG 3.39Å; L363-Q367 PolarHBondContact O-N 3.15Å; H364-Q367 PolarHBondContact O-N 3.37Å; Q367-R371 WeakPolarHBondContact O-CB 2.96Å; Q367-R371 PolarHBondContact O-N 2.77Å
368	M	95.1	Very high	93.8	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-68.9	-43.4	176.7	-71.9	-166.8	76.8	0	0	112.7	H364 F365 D366 Q370 R371 F372 I376 V485 R487	H364-M368 PolarHBondContact NE2-SD 2.89Å; H364-M368 VanDerWaalsContact NE2-SD 3.43Å; H364-M368 WeakPolarHBondContact O-CG 3.5Å; H364-M368 PolarHBondContact O-N 3.24Å; H364-M368 VanDerWaalsContact O-N 3.13Å; F365-M368 HydrophobicContact CD1-SD 3.83Å; F365-M368 HydrophobicContact CE1-SD 4.05Å; F365-M368 PolarHBondContact O-N 3.28Å; D366-M368 PolarHBondContact O-N 3.37Å; M368-Q370 VanDerWaalsContact C-N 3.29Å; M368-R371 PolarHBondContact O-N 3.41Å; M368-F372 HydrophobicContact CB-CD2 4.4Å; M368-F372 HydrophobicContact CE-CD2 4.36Å; M368-F372 WeakPolarHBondContact O-CB 3.3Å; M368-F372 WeakPolarHBondContact O-CD2 3.37Å; M368-F372 PolarHBondContact O-N 3.18Å; M368-I376 HydrophobicContact CB-CD1 3.54Å; M368-I376 HydrophobicContact CB-CG1 4.49Å; M368-I376 HydrophobicContact CE-CG2 4.14Å; M368-I376 HydrophobicContact SD-CG2 4.39Å; M368-V485 HydrophobicContact CE-CG1 3.69Å; M368-R487 HydrophobicContact CE-CB 3.92Å; M368-R487 HydrophobicContact CE-CG 4.33Å
369	L	95	Very high	94	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-63.7	-39.9	176.6	-74.5	172.2	0	0	0	110.3	F365 D366 G373 I376 L409 W638 V643 L647	F365-L369 WeakPolarHBondContact O-CG 3.05Å; F365-L369 PolarHBondContact O-N 3.44Å; D366-L369 PolarHBondContact O-N 3.4Å; D366-L369 VanDerWaalsContact O-N 3.09Å; L369-G373 VanDerWaalsContact O-CA 3.3Å; L369-G373 WeakPolarHBondContact O-CA 3.3Å; L369-G373 PolarHBondContact O-N 3.02Å; L369-I376 HydrophobicContact CB-CD1 4.47Å; L369-I376 HydrophobicContact CD2-CD1 3.59Å; L369-I376 HydrophobicContact CD2-CG1 3.97Å; L369-I376 HydrophobicContact CG-CD1 3.62Å; L369-L409 HydrophobicContact CD1-CD2 4.38Å; L369-W638 HydrophobicContact CD1-CH2 3.91Å; L369-W638 HydrophobicContact CD1-CZ3 4.35Å; L369-V643 HydrophobicContact CB-CG1 3.84Å; L369-L647 HydrophobicContact CD2-CD1 4.41Å; L369-L647 HydrophobicContact CD2-CD2 4.37Å
370	Q	93.4	Very high	94.2	Very high	56 Å²	56	9.8 Å²	9.8	26%	0.262	5%	0.048	S	C	.	.	H	α-helix	trans	-60.8	-47.1	176.6	-169.4	-174	-16.5	0	0	111.9	D366 M368 V643 Y651 D652	D366-Q370 WeakPolarHBondContact O-CB 3.48Å; D366-Q370 PolarHBondContact O-N 3.37Å; M368-Q370 VanDerWaalsContact C-N 3.29Å; Q370-V643 HydrophobicContact CB-CG2 4.33Å; Q370-V643 HydrophobicContact CG-CG2 4.47Å; Q370-Y651 HydrophobicContact CG-CD1 3.91Å; Q370-Y651 HydrophobicContact CG-CG 4.31Å; Q370-Y651 PolarHBondContact O-N 3.47Å; Q370-D652 VanDerWaalsContact CG-OD1 3.31Å; Q370-D652 WeakPolarHBondContact CG-OD1 3.49Å; Q370-D652 PolarHBondContact NE2-OD1 3.5Å; Q370-D652 PolarHBondContact O-N 3.28Å
371	R	93.3	Very high	94.2	Very high	16 Å²	16	9.3 Å²	9.3	6%	0.06	5%	0.046	C	C	.	.	H	α-helix	trans	-82.6	-33.1	-176.1	-175.7	173.9	178.5	87.4	-4.1	114.6	S171 Y229 E304 Q367 M368 P650	S171-R371 PolarHBondContact O-NH2 3.43Å; S171-R371 VanDerWaalsContact O-NH2 3.13Å; Y229-R371 VanDerWaalsContact CE2-NH1 3.29Å; E304-R371 IonicContact OE1-NH2 3.62Å; E304-R371 IonicContact OE2-CZ 2.76Å; E304-R371 VanDerWaalsContact OE2-CZ 3.23Å; E304-R371 IonicContact OE2-NE 3.41Å; E304-R371 PolarHBondContact OE2-NE 2.89Å; E304-R371 IonicContact OE2-NH2 3.29Å; E304-R371 PolarHBondContact OE2-NH2 3.18Å; Q367-R371 WeakPolarHBondContact O-CB 2.96Å; Q367-R371 PolarHBondContact O-N 2.77Å; M368-R371 PolarHBondContact O-N 3.41Å; R371-P650 WeakPolarHBondContact O-CB 3.48Å
372	F	95.3	Very high	93.7	Very high	18 Å²	18	9.4 Å²	9.4	8%	0.079	5%	0.046	C	C	.	.	H	α-helix	trans	-121.4	-10.6	-169.4	-57.2	-68.2	0	0	0	114.9	E304 V326 V328 M368 T483 G484 V485	E304-F372 HydrophobicContact CG-CE1 4.39Å; E304-F372 HydrophobicContact CG-CZ 4.34Å; V326-F372 HydrophobicContact CG1-CD1 4.4Å; V326-F372 HydrophobicContact CG1-CE1 3.81Å; V328-F372 HydrophobicContact CG2-CD2 4.43Å; V328-F372 HydrophobicContact CG2-CE1 4.07Å; V328-F372 HydrophobicContact CG2-CE2 3.61Å; V328-F372 HydrophobicContact CG2-CZ 3.39Å; M368-F372 HydrophobicContact CB-CD2 4.4Å; M368-F372 HydrophobicContact CE-CD2 4.36Å; M368-F372 WeakPolarHBondContact O-CB 3.3Å; M368-F372 WeakPolarHBondContact O-CD2 3.37Å; M368-F372 PolarHBondContact O-N 3.18Å; F372-T483 CarbonylContact O-C 3.05Å; F372-T483 VanDerWaalsContact O-O 3.06Å; F372-G484 WeakPolarHBondContact O-CA 3.17Å; F372-G484 PolarHBondContact O-N 2.73Å; F372-V485 HydrophobicContact CB-CB 3.79Å; F372-V485 HydrophobicContact CB-CG1 3.54Å; F372-V485 HydrophobicContact CD1-CB 4.25Å; F372-V485 HydrophobicContact CD1-CG1 4.47Å; F372-V485 HydrophobicContact CD1-CG2 4.27Å; F372-V485 HydrophobicContact CD2-CB 4.43Å; F372-V485 HydrophobicContact CD2-CG1 3.8Å; F372-V485 HydrophobicContact CG-CB 3.91Å; F372-V485 HydrophobicContact CG-CG1 3.69Å; F372-V485 HydrophobicContact CG-CG2 4.28Å
373	G	94.5	Very high	93.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.			trans	75.7	-159	-177.7	0	0	0	0	0	113.9	L369 T483 P648	L369-G373 VanDerWaalsContact O-CA 3.3Å; L369-G373 WeakPolarHBondContact O-CA 3.3Å; L369-G373 PolarHBondContact O-N 3.02Å; G373-T483 CarbonylContact C-O 3.58Å; G373-T483 WeakPolarHBondContact CA-O 3.45Å; G373-P648 WeakPolarHBondContact CA-O 3.46Å
374	S	94.3	Very high	92.4	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.021	7%	0.067	C	C	.	.	S	Bend	trans	-121.7	137.8	-179.7	-175.7	0	0	0	0	113.3	H413 T483 P648	S374-H413 VanDerWaalsContact OG-CA 3.25Å; S374-H413 WeakPolarHBondContact OG-CA 3.47Å; S374-H413 WeakPolarHBondContact OG-CB 3.24Å; S374-H413 PolarHBondContact OG-ND1 2.92Å; S374-H413 VanDerWaalsContact OG-ND1 3.17Å; S374-T483 CarbonylContact C-O 2.97Å; S374-T483 WeakPolarHBondContact CA-O 3.24Å; S374-T483 PolarHBondContact N-O 2.8Å; S374-T483 CarbonylContact O-C 3.07Å; S374-P648 PolarHBondContact N-O 2.76Å; S374-P648 VanDerWaalsContact N-O 3.11Å; S374-P648 WeakPolarHBondContact O-CB 3.25Å
375	P	95.3	Very high	91.3	Very high	13 Å²	13	24.8 Å²	24.8	8%	0.084	11%	0.105	C	C	.	.			cis	-92.9	149.6	12.9	34.1	-35.2	0	0	0	114.8	I377 R447 G484 V485	P375-I377 HydrophobicContact CB-CG1 4.49Å; P375-I377 HydrophobicContact CG-CD1 4.49Å; P375-I377 HydrophobicContact CG-CG1 4.44Å; P375-R447 HydrophobicContact CG-CB 4.33Å; P375-G484 CarbonylContact O-C 3.2Å; P375-G484 VanDerWaalsContact O-CA 3.22Å; P375-G484 WeakPolarHBondContact O-CA 3.37Å; P375-V485 PolarHBondContact O-N 3.1Å; P375-V485 VanDerWaalsContact O-N 3.09Å
376	I	96.9	Very high	90.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.8	164.8	-62	174.6	0	0	0	108.3	F365 M368 L369 I378 I415 D416	F365-I376 HydrophobicContact CD1-CD1 4.27Å; F365-I376 HydrophobicContact CD1-CG2 4.26Å; F365-I376 HydrophobicContact CE1-CG2 4.29Å; M368-I376 HydrophobicContact CB-CD1 3.54Å; M368-I376 HydrophobicContact CB-CG1 4.49Å; M368-I376 HydrophobicContact CE-CG2 4.14Å; M368-I376 HydrophobicContact SD-CG2 4.39Å; L369-I376 HydrophobicContact CB-CD1 4.47Å; L369-I376 HydrophobicContact CD2-CD1 3.59Å; L369-I376 HydrophobicContact CD2-CG1 3.97Å; L369-I376 HydrophobicContact CG-CD1 3.62Å; I376-I378 HydrophobicContact CG2-CG1 4.46Å; I376-I415 HydrophobicContact CB-CG1 4.47Å; I376-I415 HydrophobicContact CB-CG2 4.38Å; I376-I415 HydrophobicContact CG2-CG2 4.23Å; I376-D416 PolarHBondContact O-N 3.03Å
377	I	96.9	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.6	178.3	-53.5	175.1	0	0	0	109	P375 D416 I418 V444 R447 T448 V485 L486 R487	P375-I377 HydrophobicContact CB-CG1 4.49Å; P375-I377 HydrophobicContact CG-CD1 4.49Å; P375-I377 HydrophobicContact CG-CG1 4.44Å; I377-D416 HydrophobicContact CG1-CB 4.37Å; I377-D416 HydrophobicContact CG2-CB 4.28Å; I377-I418 HydrophobicContact CG2-CD1 3.79Å; I377-I418 HydrophobicContact CG2-CG1 4.38Å; I377-V444 HydrophobicContact CD1-CB 4.46Å; I377-V444 HydrophobicContact CD1-CG1 4.44Å; I377-V444 HydrophobicContact CD1-CG2 4.16Å; I377-V444 HydrophobicContact CG2-CG2 4.2Å; I377-R447 HydrophobicContact CD1-CB 4.22Å; I377-T448 HydrophobicContact CD1-CG2 4.08Å; I377-V485 PolarHBondContact N-O 3.47Å; I377-L486 HydrophobicContact CB-CD1 4.2Å; I377-L486 HydrophobicContact CG2-CD1 4.01Å; I377-L486 WeakPolarHBondContact O-CD1 3.26Å; I377-R487 PolarHBondContact O-N 2.94Å
378	I	96.6	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.2	176.1	-55.2	169.1	0	0	0	109	F365 I376 N380 V402 I415 D416 Y417 I418 R487 N489	F365-I378 HydrophobicContact CE1-CD1 3.72Å; F365-I378 HydrophobicContact CE1-CG1 4.15Å; F365-I378 HydrophobicContact CE2-CD1 4.34Å; F365-I378 HydrophobicContact CZ-CD1 3.39Å; F365-I378 HydrophobicContact CZ-CG1 4.26Å; I376-I378 HydrophobicContact CG2-CG1 4.46Å; I378-N380 HydrophobicContact CG2-CB 4.45Å; I378-V402 HydrophobicContact CD1-CG2 3.81Å; I378-I415 HydrophobicContact CD1-CG2 3.56Å; I378-I415 HydrophobicContact CG1-CG2 3.95Å; I378-D416 PolarHBondContact N-O 3.17Å; I378-Y417 HydrophobicContact CB-CD2 4.2Å; I378-Y417 HydrophobicContact CD1-CD2 4.41Å; I378-Y417 HydrophobicContact CG2-CD2 4.05Å; I378-Y417 HydrophobicContact CG2-CE2 4.35Å; I378-I418 PolarHBondContact O-N 3.1Å; I378-R487 CarbonylContact C-O 3.58Å; I378-R487 WeakPolarHBondContact CA-O 3.35Å; I378-N489 WeakPolarHBondContact CG2-ND2 3.45Å
379	L	95.2	Very high	88.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	99.9	166	178.5	62.4	0	0	0	109.3	L381 I418 W420 I440 L486 R487 T488 N489 A500	L379-L381 HydrophobicContact CD1-CD2 4.01Å; L379-L381 HydrophobicContact CD2-CD2 4.1Å; L379-L381 HydrophobicContact CG-CD2 3.77Å; L379-L381 HydrophobicContact CG-CG 4.28Å; L379-I418 WeakPolarHBondContact CA-O 3.48Å; L379-I418 HydrophobicContact CD1-CB 4.26Å; L379-I418 HydrophobicContact CD1-CG2 3.93Å; L379-W420 HydrophobicContact CD1-CB 4.22Å; L379-I440 HydrophobicContact CD1-CD1 4.45Å; L379-I440 HydrophobicContact CD1-CG2 4.44Å; L379-L486 HydrophobicContact CB-CD1 3.84Å; L379-R487 PolarHBondContact N-O 3.05Å; L379-T488 HydrophobicContact CB-CG2 4.3Å; L379-T488 HydrophobicContact CD2-CG2 4.26Å; L379-T488 WeakPolarHBondContact O-CA 3.42Å; L379-N489 PolarHBondContact O-N 2.65Å; L379-A500 HydrophobicContact CD2-CB 4.17Å
380	N	92.6	Very high	87.6	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111	178.9	-170.5	12.3	0	0	0	110.8	I378 V382 S395 Y417 I418 A419 W420	I378-N380 HydrophobicContact CG2-CB 4.45Å; N380-V382 VanDerWaalsContact OD1-CB 3.29Å; N380-V382 WeakPolarHBondContact OD1-CB 3.32Å; N380-V382 WeakPolarHBondContact OD1-CG2 3.34Å; N380-V382 PolarHBondContact OD1-N 3.26Å; N380-S395 PolarHBondContact ND2-OG 3.35Å; N380-S395 VanDerWaalsContact ND2-OG 3.09Å; N380-Y417 HydrophobicContact CB-CE2 3.8Å; N380-Y417 PolarHBondContact ND2-OH 3.32Å; N380-I418 PolarHBondContact N-O 3.47Å; N380-A419 HydrophobicContact CB-CB 4.41Å; N380-W420 PolarHBondContact O-N 3.38Å
381	L	87.4	Confident	87.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	22%	0.217	C	C	.	.			trans	-94.5	7.6	-177.7	-58.3	-177.3	0	0	0	113.9	L379 W420 N489 R496 T497 A500	L379-L381 HydrophobicContact CD1-CD2 4.01Å; L379-L381 HydrophobicContact CD2-CD2 4.1Å; L379-L381 HydrophobicContact CG-CD2 3.77Å; L379-L381 HydrophobicContact CG-CG 4.28Å; L381-W420 WeakPolarHBondContact CA-O 3.39Å; L381-W420 HydrophobicContact CD2-CD2 4.5Å; L381-W420 HydrophobicContact CD2-CE3 3.48Å; L381-W420 VanDerWaalsContact CD2-CE3 3.48Å; L381-W420 HydrophobicContact CD2-CZ3 4.03Å; L381-N489 PolarHBondContact N-O 3.41Å; L381-R496 HydrophobicContact CD1-CB 4.09Å; L381-R496 PolarHBondContact O-NH1 3.38Å; L381-T497 HydrophobicContact CD1-CG2 4.33Å; L381-A500 HydrophobicContact CD1-CB 3.86Å
382	V	83.2	Confident	86.8	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	23%	0.229	C	C	.	.			trans	-62.2	139	179.1	174.1	0	0	0	0	110.5	N380 K384 E391 S395 V491	N380-V382 VanDerWaalsContact OD1-CB 3.29Å; N380-V382 WeakPolarHBondContact OD1-CB 3.32Å; N380-V382 WeakPolarHBondContact OD1-CG2 3.34Å; N380-V382 PolarHBondContact OD1-N 3.26Å; V382-K384 PolarHBondContact O-N 2.89Å; V382-E391 HydrophobicContact CG1-CB 3.72Å; V382-E391 WeakPolarHBondContact CG1-O 3.17Å; V382-S395 WeakPolarHBondContact CB-OG 3.48Å; V382-S395 WeakPolarHBondContact CG1-OG 3.5Å; V382-V491 HydrophobicContact CG2-CG2 3.8Å
383	K	80.6	Confident	86.5	Confident	42 Å²	42	56 Å²	56	18%	0.183	24%	0.237	C	C	.	.			trans	-65.2	135.7	-176.4	-66.5	-177.7	-169.7	120.7	0	111	E386 E391 A423	K383-E386 HydrophobicContact CB-CG 3.71Å; K383-E386 HydrophobicContact CD-CG 4.3Å; K383-E386 WeakPolarHBondContact CD-OE1 3.41Å; K383-E391 HydrophobicContact CB-CB 4.27Å; K383-E391 WeakPolarHBondContact CE-OE1 3.32Å; K383-E391 PolarHBondContact N-OE2 3.45Å; K383-E391 IonicContact NZ-OE1 2.88Å; K383-E391 PolarHBondContact NZ-OE1 3.37Å; K383-A423 HydrophobicContact CG-CB 4.45Å
384	K	75.9	Confident	86.4	Confident	101 Å²	101	56 Å²	56	44%	0.439	24%	0.237	S	C	.	.	S	Bend	trans	-96.8	-38.8	180	-75.1	-175.1	170.9	177.8	0	112.8	V382 K392 A419 D421	V382-K384 PolarHBondContact O-N 2.89Å; K384-K392 WeakPolarHBondContact O-CD 3.5Å; K384-A419 VanDerWaalsContact NZ-CB 3.29Å; K384-A419 PolarHBondContact NZ-O 3.4Å; K384-D421 HydrophobicContact CB-CB 4.44Å; K384-D421 PolarHBondContact N-OD2 2.86Å
385	R	72.9	Confident	86.1	Confident	215 Å²	215	56.5 Å²	56.5	81%	0.811	24%	0.24	S	C	*	.	S	Bend	trans	-113.9	100.1	-177.4	-166.4	175.2	-177.9	176	0.2	109.8
386	E	77.1	Confident	85.9	Confident	50 Å²	50	59.6 Å²	59.6	23%	0.234	25%	0.253	C	S	.	.			trans	-120.5	148.4	179	-58.3	-173.7	117	0	0	109.9	K383 R388 H390 E391 K392	K383-E386 HydrophobicContact CB-CG 3.71Å; K383-E386 HydrophobicContact CD-CG 4.3Å; K383-E386 WeakPolarHBondContact CD-OE1 3.41Å; E386-R388 VanDerWaalsContact C-N 3.29Å; E386-R388 WeakPolarHBondContact CB-O 3.42Å; E386-H390 PolarHBondContact OE2-N 3.13Å; E386-H390 VanDerWaalsContact OE2-N 3.08Å; E386-E391 PolarHBondContact OE2-N 2.88Å; E386-K392 PolarHBondContact OE2-N 3.3Å
387	K	75.6	Confident	85.6	Confident	226 Å²	226	63.9 Å²	63.9	98%	0.983	27%	0.273	S	S	*	.	S	Bend	trans	-64.6	-36.4	175.7	-69.2	-173.2	177	-173.6	0	111.5
388	R	78.1	Confident	85.4	Confident	224 Å²	224	63.9 Å²	63.9	85%	0.845	27%	0.273	S	S	*	.	S	Bend	trans	-120.6	135.9	171.2	-66.5	-176	178.8	178.6	-0.7	107.8	E386 H390	E386-R388 VanDerWaalsContact C-N 3.29Å; E386-R388 WeakPolarHBondContact CB-O 3.42Å; R388-H390 PolarHBondContact O-N 3.02Å; R388-H390 VanDerWaalsContact O-N 3.14Å
389	K	81	Confident	85.2	Confident	149 Å²	149	69.8 Å²	69.8	65%	0.648	30%	0.296	S	S	*	.	S	Bend	trans	-64.5	112.6	177.3	-65.3	-174.9	-178.6	-174.1	0	108.6
390	H	83.1	Confident	85.1	Confident	34 Å²	34	73 Å²	73	16%	0.157	32%	0.317	C	S	.	.	S	Bend	trans	-133.8	-75	179.1	-174.4	71.1	0	0	0	110.5	P347 E386 R388 K392	P347-H390 PolarHBondContact O-CE1 2.86Å; P347-H390 VanDerWaalsContact O-CE1 3.25Å; E386-H390 PolarHBondContact OE2-N 3.13Å; E386-H390 VanDerWaalsContact OE2-N 3.08Å; R388-H390 PolarHBondContact O-N 3.02Å; R388-H390 VanDerWaalsContact O-N 3.14Å; H390-K392 VanDerWaalsContact C-N 3.33Å
391	E	83.4	Confident	85.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.7	177.1	-79.7	-174.5	-129	0	0	111.1	V382 K383 E386 I393 L394 V491 R496	V382-E391 HydrophobicContact CG1-CB 3.72Å; V382-E391 WeakPolarHBondContact CG1-O 3.17Å; K383-E391 HydrophobicContact CB-CB 4.27Å; K383-E391 WeakPolarHBondContact CE-OE1 3.32Å; K383-E391 PolarHBondContact N-OE2 3.45Å; K383-E391 IonicContact NZ-OE1 2.88Å; K383-E391 PolarHBondContact NZ-OE1 3.37Å; E386-E391 PolarHBondContact OE2-N 2.88Å; E391-I393 PolarHBondContact O-N 3.31Å; E391-I393 VanDerWaalsContact O-N 3.15Å; E391-L394 PolarHBondContact O-N 2.92Å; E391-V491 HydrophobicContact CG-CB 4.16Å; E391-V491 HydrophobicContact CG-CG1 4.29Å; E391-V491 HydrophobicContact CG-CG2 4.41Å; E391-R496 IonicContact OE1-NH2 3.78Å; E391-R496 PolarHBondContact OE1-NH2 3.09Å; E391-R496 IonicContact OE2-CZ 3.42Å; E391-R496 IonicContact OE2-NH1 2.72Å; E391-R496 PolarHBondContact OE2-NH1 2.71Å; E391-R496 IonicContact OE2-NH2 3.12Å; E391-R496 PolarHBondContact OE2-NH2 2.78Å
392	K	86.6	Confident	85.5	Confident	69 Å²	69	73.6 Å²	73.6	30%	0.3	32%	0.322	S	S	.	.	H	α-helix	trans	-55.9	-34.4	-173.9	-163.4	-168.9	-175.2	-145.3	0	114.1	K384 E386 H390 L394 S395 E396	K384-K392 WeakPolarHBondContact O-CD 3.5Å; E386-K392 PolarHBondContact OE2-N 3.3Å; H390-K392 VanDerWaalsContact C-N 3.33Å; K392-L394 PolarHBondContact O-N 3.39Å; K392-S395 WeakPolarHBondContact O-CB 3.44Å; K392-S395 PolarHBondContact O-N 3.15Å; K392-E396 WeakPolarHBondContact CD-OE1 3.39Å; K392-E396 WeakPolarHBondContact CE-OE1 3.36Å; K392-E396 HydrophobicContact CG-CG 4.35Å; K392-E396 IonicContact NZ-OE1 3.95Å; K392-E396 PolarHBondContact NZ-OE1 3.47Å; K392-E396 PolarHBondContact O-N 3.09Å
393	I	89.9	Confident	86	Confident	47 Å²	47	77 Å²	77	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-55.1	-42.7	-176.5	-60.5	167.7	0	0	0	110.5	L351 E391 S395 E396 E397	L351-I393 HydrophobicContact CD1-CG2 3.91Å; L351-I393 HydrophobicContact CG-CG2 4.22Å; E391-I393 PolarHBondContact O-N 3.31Å; E391-I393 VanDerWaalsContact O-N 3.15Å; I393-S395 VanDerWaalsContact C-N 3.28Å; I393-S395 PolarHBondContact O-N 3.47Å; I393-E396 PolarHBondContact O-N 2.82Å; I393-E396 VanDerWaalsContact O-N 3.14Å; I393-E397 PolarHBondContact O-N 2.98Å; I393-E397 VanDerWaalsContact O-N 3.11Å
394	L	90.6	Very high	86.6	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.7	-28.7	-179.8	-64.5	172.7	0	0	0	113.3	V332 L334 W336 I349 L351 E391 K392 L398 V491	V332-L394 HydrophobicContact CG1-CB 4.44Å; L334-L394 HydrophobicContact CD1-CD2 4.35Å; W336-L394 HydrophobicContact CB-CD2 3.93Å; W336-L394 HydrophobicContact CD2-CD1 3.93Å; W336-L394 HydrophobicContact CD2-CD2 3.72Å; W336-L394 HydrophobicContact CD2-CG 4.49Å; W336-L394 HydrophobicContact CE3-CD1 4.08Å; W336-L394 HydrophobicContact CE3-CD2 4.34Å; W336-L394 HydrophobicContact CG-CD2 3.51Å; W336-L394 HydrophobicContact CH2-CD1 3.98Å; W336-L394 HydrophobicContact CZ2-CD1 3.86Å; W336-L394 HydrophobicContact CZ3-CD1 4.08Å; I349-L394 HydrophobicContact CD1-CD1 3.84Å; I349-L394 HydrophobicContact CD1-CG 4.47Å; I349-L394 HydrophobicContact CG2-CD1 4.21Å; I349-L394 HydrophobicContact CG2-CD2 4.06Å; I349-L394 HydrophobicContact CG2-CG 4.1Å; L351-L394 HydrophobicContact CD2-CD2 4.04Å; E391-L394 PolarHBondContact O-N 2.92Å; K392-L394 PolarHBondContact O-N 3.39Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.5Å; L394-L398 PolarHBondContact O-N 2.9Å; L394-V491 HydrophobicContact CD1-CG2 3.31Å
395	S	89.4	Confident	87.5	Confident	13 Å²	13	72.2 Å²	72.2	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-77.4	-31.9	174.4	-60.5	0	0	0	0	112.2	N380 V382 K392 I393 E397 Y399	N380-S395 PolarHBondContact ND2-OG 3.35Å; N380-S395 VanDerWaalsContact ND2-OG 3.09Å; V382-S395 WeakPolarHBondContact CB-OG 3.48Å; V382-S395 WeakPolarHBondContact CG1-OG 3.5Å; K392-S395 WeakPolarHBondContact O-CB 3.44Å; K392-S395 PolarHBondContact O-N 3.15Å; I393-S395 VanDerWaalsContact C-N 3.28Å; I393-S395 PolarHBondContact O-N 3.47Å; S395-E397 VanDerWaalsContact C-N 3.3Å; S395-Y399 WeakPolarHBondContact O-CB 3.48Å; S395-Y399 PolarHBondContact O-N 3.16Å
396	E	89.8	Confident	88.5	Confident	77 Å²	77	63.1 Å²	63.1	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-68.4	-30.2	175.8	-71.4	177.4	165.8	0	0	111.3	K392 I393 P400	K392-E396 WeakPolarHBondContact CD-OE1 3.39Å; K392-E396 WeakPolarHBondContact CE-OE1 3.36Å; K392-E396 HydrophobicContact CG-CG 4.35Å; K392-E396 IonicContact NZ-OE1 3.95Å; K392-E396 PolarHBondContact NZ-OE1 3.47Å; K392-E396 PolarHBondContact O-N 3.09Å; I393-E396 PolarHBondContact O-N 2.82Å; I393-E396 VanDerWaalsContact O-N 3.14Å; E396-P400 WeakPolarHBondContact O-CD 3.42Å; E396-P400 WeakPolarHBondContact O-CG 3.46Å
397	E	91	Very high	89.2	Confident	92 Å²	92	66.5 Å²	66.5	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-87.2	-42.2	175.7	-65.4	-55	135.5	0	0	114	L334 L351 I393 S395 Y399 P400 A401	L334-E397 HydrophobicContact CD1-CB 3.57Å; L351-E397 HydrophobicContact CD1-CG 3.57Å; L351-E397 HydrophobicContact CD2-CG 4.24Å; I393-E397 PolarHBondContact O-N 2.98Å; I393-E397 VanDerWaalsContact O-N 3.11Å; S395-E397 VanDerWaalsContact C-N 3.3Å; E397-Y399 VanDerWaalsContact C-N 3.32Å; E397-Y399 PolarHBondContact O-N 3.04Å; E397-P400 WeakPolarHBondContact O-CD 3.39Å; E397-A401 PolarHBondContact O-N 2.94Å
398	L	92.7	Very high	89.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-35.4	-176	178.9	62.1	0	0	0	112.1	V332 P333 L334 L394 A401 V402 Y417	V332-L398 HydrophobicContact CG1-CB 4.31Å; V332-L398 HydrophobicContact CG1-CD2 4.12Å; P333-L398 HydrophobicContact CG-CD1 3.72Å; L334-L398 HydrophobicContact CD1-CB 4.1Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.5Å; L394-L398 PolarHBondContact O-N 2.9Å; L398-A401 WeakPolarHBondContact O-CB 3.45Å; L398-A401 PolarHBondContact O-N 3.19Å; L398-V402 HydrophobicContact CD1-CG2 4.1Å; L398-V402 HydrophobicContact CG-CG2 4.32Å; L398-V402 WeakPolarHBondContact O-CG2 3.13Å; L398-V402 PolarHBondContact O-N 2.9Å; L398-Y417 HydrophobicContact CD2-CE2 3.85Å; L398-Y417 HydrophobicContact CG-CE2 4.18Å
399	Y	93	Very high	90.5	Very high	123 Å²	123	48.8 Å²	48.8	48%	0.482	23%	0.233	S	C	.	.	H	α-helix	trans	-66.8	-49.6	-175.7	178.6	-110.1	0	0	0	112.9	S395 E397 A401 V402 I403 Y417	S395-Y399 WeakPolarHBondContact O-CB 3.48Å; S395-Y399 PolarHBondContact O-N 3.16Å; E397-Y399 VanDerWaalsContact C-N 3.32Å; E397-Y399 PolarHBondContact O-N 3.04Å; Y399-A401 VanDerWaalsContact C-N 3.3Å; Y399-A401 PolarHBondContact O-N 2.91Å; Y399-V402 PolarHBondContact O-N 3.28Å; Y399-I403 HydrophobicContact CD1-CD1 3.78Å; Y399-I403 HydrophobicContact CD2-CD1 4.43Å; Y399-I403 HydrophobicContact CE1-CD1 3.36Å; Y399-I403 HydrophobicContact CE1-CG1 4.49Å; Y399-I403 HydrophobicContact CE2-CD1 4.1Å; Y399-I403 HydrophobicContact CE2-CG1 4.45Å; Y399-I403 HydrophobicContact CG-CD1 4.31Å; Y399-I403 WeakPolarHBondContact O-CG1 3.37Å; Y399-I403 PolarHBondContact O-N 3.4Å; Y399-Y417 AromaticContact CD2-CD1 3.3Å; Y399-Y417 HydrophobicContact CD2-CD1 3.3Å; Y399-Y417 AromaticContact CD2-CE1 3.47Å; Y399-Y417 HydrophobicContact CD2-CE1 3.47Å; Y399-Y417 VanDerWaalsContact CD2-CE1 3.47Å; Y399-Y417 AromaticContact CD2-CG 4Å; Y399-Y417 HydrophobicContact CD2-CG 4Å; Y399-Y417 AromaticContact CE2-CD1 3.81Å; Y399-Y417 HydrophobicContact CE2-CD1 3.81Å; Y399-Y417 HydrophobicContact CE2-CE1 4.27Å; Y399-Y417 HydrophobicContact CG-CD1 4.34Å; Y399-Y417 HydrophobicContact CG-CE1 4.09Å
400	P	93.5	Very high	91	Very high	68 Å²	68	43.9 Å²	43.9	44%	0.442	22%	0.217	S	C	.	.	H	α-helix	trans	-56.9	-40	170.1	-26.2	34.9	0	0	0	113.6	E396 E397 V402 I403 N404	E396-P400 WeakPolarHBondContact O-CD 3.42Å; E396-P400 WeakPolarHBondContact O-CG 3.46Å; E397-P400 WeakPolarHBondContact O-CD 3.39Å; P400-V402 PolarHBondContact O-N 2.93Å; P400-I403 PolarHBondContact O-N 3.48Å; P400-N404 WeakPolarHBondContact O-CB 3.39Å; P400-N404 PolarHBondContact O-N 3.45Å
401	A	93.2	Very high	91.4	Very high	11 Å²	11	46.6 Å²	46.6	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-48.1	176.7	0	0	0	0	0	111.7	A358 E397 L398 Y399 I403 N404 L405	A358-A401 HydrophobicContact CB-CB 3.64Å; E397-A401 PolarHBondContact O-N 2.94Å; L398-A401 WeakPolarHBondContact O-CB 3.45Å; L398-A401 PolarHBondContact O-N 3.19Å; Y399-A401 VanDerWaalsContact C-N 3.3Å; Y399-A401 PolarHBondContact O-N 2.91Å; A401-I403 VanDerWaalsContact C-N 3.33Å; A401-I403 PolarHBondContact O-N 2.95Å; A401-N404 WeakPolarHBondContact O-CB 3.46Å; A401-N404 PolarHBondContact O-N 3.02Å; A401-L405 WeakPolarHBondContact O-CG 3.35Å; A401-L405 PolarHBondContact O-N 3.44Å
402	V	94.6	Very high	91.6	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-38.1	176.7	173.7	0	0	0	0	111.8	F365 I378 L398 Y399 P400 N404 L405 N406 I415	F365-V402 HydrophobicContact CE2-CG2 4.32Å; I378-V402 HydrophobicContact CD1-CG2 3.81Å; L398-V402 HydrophobicContact CD1-CG2 4.1Å; L398-V402 HydrophobicContact CG-CG2 4.32Å; L398-V402 WeakPolarHBondContact O-CG2 3.13Å; L398-V402 PolarHBondContact O-N 2.9Å; Y399-V402 PolarHBondContact O-N 3.28Å; P400-V402 PolarHBondContact O-N 2.93Å; V402-N404 VanDerWaalsContact C-N 3.34Å; V402-L405 PolarHBondContact O-N 3.03Å; V402-N406 WeakPolarHBondContact O-CB 3.49Å; V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 2.96Å; V402-N406 PolarHBondContact O-ND2 3.25Å; V402-I415 HydrophobicContact CG1-CB 4.13Å; V402-I415 HydrophobicContact CG1-CG2 4.05Å
403	I	94.4	Very high	91.8	Very high	73 Å²	73	51.6 Å²	51.6	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174.8	-71.2	166.9	0	0	0	110.7	Y399 P400 A401 N406 Q407	Y399-I403 HydrophobicContact CD1-CD1 3.78Å; Y399-I403 HydrophobicContact CD2-CD1 4.43Å; Y399-I403 HydrophobicContact CE1-CD1 3.36Å; Y399-I403 HydrophobicContact CE1-CG1 4.49Å; Y399-I403 HydrophobicContact CE2-CD1 4.1Å; Y399-I403 HydrophobicContact CE2-CG1 4.45Å; Y399-I403 HydrophobicContact CG-CD1 4.31Å; Y399-I403 WeakPolarHBondContact O-CG1 3.37Å; Y399-I403 PolarHBondContact O-N 3.4Å; P400-I403 PolarHBondContact O-N 3.48Å; A401-I403 VanDerWaalsContact C-N 3.33Å; A401-I403 PolarHBondContact O-N 2.95Å; I403-N406 PolarHBondContact O-N 3.32Å; I403-Q407 WeakPolarHBondContact O-CG 3.42Å; I403-Q407 PolarHBondContact O-N 3.23Å
404	N	93.7	Very high	92	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.214	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-47.7	179.3	-175.7	-91	0	0	0	111.3	P400 A401 V402 N406 Q407	P400-N404 WeakPolarHBondContact O-CB 3.39Å; P400-N404 PolarHBondContact O-N 3.45Å; A401-N404 WeakPolarHBondContact O-CB 3.46Å; A401-N404 PolarHBondContact O-N 3.02Å; V402-N404 VanDerWaalsContact C-N 3.34Å; N404-N406 VanDerWaalsContact C-N 3.32Å; N404-N406 PolarHBondContact O-N 2.88Å; N404-Q407 WeakPolarHBondContact O-CB 3.26Å; N404-Q407 WeakPolarHBondContact O-CG 3.44Å; N404-Q407 PolarHBondContact O-N 3.31Å
405	L	93.2	Very high	92.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-38.6	177.6	-62.2	179.4	0	0	0	112.8	A358 A361 A362 F365 A401 V402 Q407 F408 W638	A358-L405 HydrophobicContact CB-CD2 4.29Å; A358-L405 HydrophobicContact CB-CG 4.34Å; A361-L405 HydrophobicContact CB-CD1 4.1Å; A362-L405 HydrophobicContact CB-CD2 3.63Å; F365-L405 HydrophobicContact CD2-CD1 3.67Å; F365-L405 HydrophobicContact CE2-CD1 4.29Å; A401-L405 WeakPolarHBondContact O-CG 3.35Å; A401-L405 PolarHBondContact O-N 3.44Å; V402-L405 PolarHBondContact O-N 3.03Å; L405-Q407 PolarHBondContact O-N 3.08Å; L405-F408 PolarHBondContact O-N 3.03Å; L405-W638 HydrophobicContact CB-CZ2 3.93Å; L405-W638 HydrophobicContact CD2-CD2 4.08Å; L405-W638 HydrophobicContact CD2-CG 4.18Å; L405-W638 HydrophobicContact CD2-CZ2 4.39Å; L405-W638 PolarHBondContact O-NE1 3.43Å
406	N	94.6	Very high	92.6	Very high	24 Å²	24	56.5 Å²	56.5	13%	0.128	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.4	179.1	-80.2	-20.4	0	0	0	114.3	V402 I403 N404 F408 R414 I415	V402-N406 WeakPolarHBondContact O-CB 3.49Å; V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 2.96Å; V402-N406 PolarHBondContact O-ND2 3.25Å; I403-N406 PolarHBondContact O-N 3.32Å; N404-N406 VanDerWaalsContact C-N 3.32Å; N404-N406 PolarHBondContact O-N 2.88Å; N406-F408 PolarHBondContact O-N 3.46Å; N406-R414 HydrophobicContact CB-CG 4.25Å; N406-R414 PolarHBondContact O-NE 3.36Å; N406-I415 PolarHBondContact ND2-O 2.93Å; N406-I415 PolarHBondContact OD1-N 2.95Å
407	Q	92.5	Very high	92.9	Very high	122 Å²	122	55 Å²	55	57%	0.57	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.5	172	-65	177.3	8.5	0	0	111.4	I403 N404 L405	I403-Q407 WeakPolarHBondContact O-CG 3.42Å; I403-Q407 PolarHBondContact O-N 3.23Å; N404-Q407 WeakPolarHBondContact O-CB 3.26Å; N404-Q407 WeakPolarHBondContact O-CG 3.44Å; N404-Q407 PolarHBondContact O-N 3.31Å; L405-Q407 PolarHBondContact O-N 3.08Å
408	F	90.6	Very high	93	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-18	-174.2	-53.3	-67.1	0	0	0	114	L405 N406 Y635 T636 W639	L405-F408 PolarHBondContact O-N 3.03Å; N406-F408 PolarHBondContact O-N 3.46Å; F408-Y635 WeakPolarHBondContact CE2-O 3.44Å; F408-T636 WeakPolarHBondContact CB-O 3.29Å; F408-T636 HydrophobicContact CD1-CG2 4.1Å; F408-T636 HydrophobicContact CE1-CG2 3.51Å; F408-T636 WeakPolarHBondContact CG-O 3.25Å; F408-T636 HydrophobicContact CZ-CG2 3.84Å; F408-W639 HydrophobicContact CB-CH2 4.3Å; F408-W639 HydrophobicContact CB-CZ3 4.01Å; F408-W639 WeakPolarHBondContact O-CH2 3.32Å
409	L	90.5	Very high	92.8	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	27%	0.274	C	S	.	.	S	Bend	trans	-80	141	175.3	-74.5	174	0	0	0	111.8	L369 R414 I415 W638 W639	L369-L409 HydrophobicContact CD1-CD2 4.38Å; L409-R414 HydrophobicContact CB-CG 4.48Å; L409-I415 HydrophobicContact CD1-CD1 4.22Å; L409-I415 HydrophobicContact CD1-CG1 3.98Å; L409-W638 HydrophobicContact CD1-CH2 4.18Å; L409-W638 HydrophobicContact CD1-CZ2 3.67Å; L409-W638 HydrophobicContact CD2-CZ2 4.12Å; L409-W638 HydrophobicContact CG-CZ2 3.8Å; L409-W639 HydrophobicContact CD2-CE3 4.11Å; L409-W639 HydrophobicContact CD2-CZ3 4.14Å
410	P	91.4	Very high	92.5	Very high	45 Å²	45	48.7 Å²	48.7	29%	0.292	25%	0.254	S	S	.	.			trans	-55.2	146.7	171	-25.6	34.9	0	0	0	111.9	D412 H413 R414 L644	P410-D412 PolarHBondContact O-N 3.11Å; P410-D412 VanDerWaalsContact O-N 3.12Å; P410-H413 PolarHBondContact O-N 3.45Å; P410-R414 PolarHBondContact O-N 3.46Å; P410-L644 HydrophobicContact CG-CD1 3.85Å
411	P	90.3	Very high	92	Very high	92 Å²	92	46.1 Å²	46.1	60%	0.597	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-51.5	-38.6	-176.8	-28.6	35.7	0	0	0	114.4	H413	P411-H413 PolarHBondContact O-N 2.64Å
412	D	87.9	Confident	91.4	Very high	138 Å²	138	45.6 Å²	45.6	74%	0.738	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-70	-21.5	-178.7	-60.7	-30.4	0	0	0	113.4	P410	P410-D412 PolarHBondContact O-N 3.11Å; P410-D412 VanDerWaalsContact O-N 3.12Å
413	H	91.9	Very high	90.4	Very high	35 Å²	35	46.8 Å²	46.8	16%	0.162	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-112.1	8.5	-174.9	-60.2	-45	0	0	0	114.1	S374 P410 P411 L647	S374-H413 VanDerWaalsContact OG-CA 3.25Å; S374-H413 WeakPolarHBondContact OG-CA 3.47Å; S374-H413 WeakPolarHBondContact OG-CB 3.24Å; S374-H413 PolarHBondContact OG-ND1 2.92Å; S374-H413 VanDerWaalsContact OG-ND1 3.17Å; P410-H413 PolarHBondContact O-N 3.45Å; P411-H413 PolarHBondContact O-N 2.64Å; H413-L647 HydrophobicContact CB-CD1 3.97Å
414	R	94.4	Very high	89.4	Confident	116 Å²	116	51.1 Å²	51.1	44%	0.438	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-59	145.2	179.2	-73.7	179.7	177.9	171.7	2.2	111.8	N406 L409 P410 D416	N406-R414 HydrophobicContact CB-CG 4.25Å; N406-R414 PolarHBondContact O-NE 3.36Å; L409-R414 HydrophobicContact CB-CG 4.48Å; P410-R414 PolarHBondContact O-N 3.46Å; R414-D416 PolarHBondContact O-N 3.32Å
415	I	96.1	Very high	88.4	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-74.5	123.3	174.3	-58.5	170	0	0	0	108.2	F365 I376 I378 V402 N406 L409 W638	F365-I415 HydrophobicContact CB-CD1 3.86Å; F365-I415 HydrophobicContact CD1-CD1 4.1Å; F365-I415 HydrophobicContact CD2-CD1 3.9Å; F365-I415 HydrophobicContact CG-CD1 3.69Å; I376-I415 HydrophobicContact CB-CG1 4.47Å; I376-I415 HydrophobicContact CB-CG2 4.38Å; I376-I415 HydrophobicContact CG2-CG2 4.23Å; I378-I415 HydrophobicContact CD1-CG2 3.56Å; I378-I415 HydrophobicContact CG1-CG2 3.95Å; V402-I415 HydrophobicContact CG1-CB 4.13Å; V402-I415 HydrophobicContact CG1-CG2 4.05Å; N406-I415 PolarHBondContact ND2-O 2.93Å; N406-I415 PolarHBondContact OD1-N 2.95Å; L409-I415 HydrophobicContact CD1-CD1 4.22Å; L409-I415 HydrophobicContact CD1-CG1 3.98Å; I415-W638 HydrophobicContact CD1-CH2 4.32Å
416	D	95.3	Very high	87.3	Confident	44 Å²	44	54.7 Å²	54.7	24%	0.235	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.2	178.9	-61.6	-66.5	0	0	0	111.7	I376 I377 I378 R414 R447	I376-D416 PolarHBondContact O-N 3.03Å; I377-D416 HydrophobicContact CG1-CB 4.37Å; I377-D416 HydrophobicContact CG2-CB 4.28Å; I378-D416 PolarHBondContact N-O 3.17Å; R414-D416 PolarHBondContact O-N 3.32Å; D416-R447 VanDerWaalsContact CG-NH1 3.32Å; D416-R447 IonicContact OD1-NH1 3.47Å; D416-R447 IonicContact OD1-NH2 2.91Å; D416-R447 IonicContact OD2-CZ 2.71Å; D416-R447 IonicContact OD2-NH1 3.96Å; D416-R447 PolarHBondContact OD2-NH1 3.26Å; D416-R447 IonicContact OD2-NH2 3.61Å; D416-R447 PolarHBondContact OD2-NH2 3.36Å
417	Y	95.3	Very high	86.1	Confident	46 Å²	46	62.4 Å²	62.4	18%	0.18	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.5	179	-177.8	-97.4	0	0	0	111.5	I378 N380 L398 Y399 A419	I378-Y417 HydrophobicContact CB-CD2 4.2Å; I378-Y417 HydrophobicContact CD1-CD2 4.41Å; I378-Y417 HydrophobicContact CG2-CD2 4.05Å; I378-Y417 HydrophobicContact CG2-CE2 4.35Å; N380-Y417 HydrophobicContact CB-CE2 3.8Å; N380-Y417 PolarHBondContact ND2-OH 3.32Å; L398-Y417 HydrophobicContact CD2-CE2 3.85Å; L398-Y417 HydrophobicContact CG-CE2 4.18Å; Y399-Y417 AromaticContact CD2-CD1 3.3Å; Y399-Y417 HydrophobicContact CD2-CD1 3.3Å; Y399-Y417 AromaticContact CD2-CE1 3.47Å; Y399-Y417 HydrophobicContact CD2-CE1 3.47Å; Y399-Y417 VanDerWaalsContact CD2-CE1 3.47Å; Y399-Y417 AromaticContact CD2-CG 4Å; Y399-Y417 HydrophobicContact CD2-CG 4Å; Y399-Y417 AromaticContact CE2-CD1 3.81Å; Y399-Y417 HydrophobicContact CE2-CD1 3.81Å; Y399-Y417 HydrophobicContact CE2-CE1 4.27Å; Y399-Y417 HydrophobicContact CG-CD1 4.34Å; Y399-Y417 HydrophobicContact CG-CE1 4.09Å; Y417-A419 HydrophobicContact CD1-CB 4.22Å; Y417-A419 HydrophobicContact CE1-CB 3.46Å; Y417-A419 VanDerWaalsContact CE1-CB 3.46Å
418	I	93.1	Very high	85	Confident	43 Å²	43	58.3 Å²	58.3	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	102.5	177.3	-54.9	176	0	0	0	108.4	I377 I378 L379 N380 I440	I377-I418 HydrophobicContact CG2-CD1 3.79Å; I377-I418 HydrophobicContact CG2-CG1 4.38Å; I378-I418 PolarHBondContact O-N 3.1Å; L379-I418 WeakPolarHBondContact CA-O 3.48Å; L379-I418 HydrophobicContact CD1-CB 4.26Å; L379-I418 HydrophobicContact CD1-CG2 3.93Å; N380-I418 PolarHBondContact N-O 3.47Å; I418-I440 HydrophobicContact CD1-CG2 4.46Å
419	A	89.6	Confident	83.6	Confident	24 Å²	24	65 Å²	65	20%	0.198	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.4	176.3	0	0	0	0	0	112	N380 K384 Y417	N380-A419 HydrophobicContact CB-CB 4.41Å; K384-A419 VanDerWaalsContact NZ-CB 3.29Å; K384-A419 PolarHBondContact NZ-O 3.4Å; Y417-A419 HydrophobicContact CD1-CB 4.22Å; Y417-A419 HydrophobicContact CE1-CB 3.46Å; Y417-A419 VanDerWaalsContact CE1-CB 3.46Å
420	W	86.9	Confident	82.1	Confident	15 Å²	15	72.7 Å²	72.7	6%	0.057	36%	0.358	C	S	.	.			trans	-134.4	118.1	-172.6	-179.2	55.7	0	0	0	112.8	L379 N380 L381 M422 Y425 V433 R436 L437 I440	L379-W420 HydrophobicContact CD1-CB 4.22Å; N380-W420 PolarHBondContact O-N 3.38Å; L381-W420 WeakPolarHBondContact CA-O 3.39Å; L381-W420 HydrophobicContact CD2-CD2 4.5Å; L381-W420 HydrophobicContact CD2-CE3 3.48Å; L381-W420 VanDerWaalsContact CD2-CE3 3.48Å; L381-W420 HydrophobicContact CD2-CZ3 4.03Å; W420-M422 HydrophobicContact CE3-CB 4.31Å; W420-M422 HydrophobicContact CH2-CB 4.12Å; W420-M422 HydrophobicContact CH2-CG 3.79Å; W420-M422 HydrophobicContact CZ3-CB 3.93Å; W420-M422 HydrophobicContact CZ3-CG 3.87Å; W420-M422 HydrophobicContact CZ3-SD 4.43Å; W420-M422 PolarHBondContact O-N 2.98Å; W420-M422 VanDerWaalsContact O-N 3.15Å; W420-Y425 AromaticContact CD1-CE2 3.94Å; W420-Y425 HydrophobicContact CZ2-CD2 4.49Å; W420-Y425 HydrophobicContact CZ2-CG 4.35Å; W420-Y425 AromaticContact NE1-CD2 3.44Å; W420-Y425 AromaticContact NE1-CE2 3.39Å; W420-Y425 AromaticContact NE1-CG 4Å; W420-Y425 AromaticContact NE1-CZ 3.93Å; W420-V433 HydrophobicContact CH2-CG1 3.58Å; W420-V433 HydrophobicContact CZ2-CG1 4.13Å; W420-R436 HydrophobicContact CZ2-CB 4.29Å; W420-R436 HydrophobicContact CZ2-CG 4.38Å; W420-L437 HydrophobicContact CE3-CD2 3.99Å; W420-L437 HydrophobicContact CE3-CG 4.43Å; W420-L437 HydrophobicContact CH2-CD1 3.73Å; W420-L437 HydrophobicContact CH2-CD2 3.82Å; W420-L437 HydrophobicContact CH2-CG 3.35Å; W420-L437 HydrophobicContact CZ2-CG 4.37Å; W420-L437 HydrophobicContact CZ3-CD1 3.83Å; W420-L437 HydrophobicContact CZ3-CD2 3.29Å; W420-L437 HydrophobicContact CZ3-CG 3.41Å; W420-L437 VanDerWaalsContact CZ3-CG 3.41Å; W420-I440 HydrophobicContact CD2-CD1 4.27Å; W420-I440 HydrophobicContact CE3-CD1 4.42Å; W420-I440 HydrophobicContact CG-CD1 4.38Å
421	D	82.3	Confident	80.6	Confident	15 Å²	15	73.3 Å²	73.3	8%	0.08	36%	0.362	C	S	.	.			trans	-84.7	88.8	-179.3	-170.1	-26.3	0	0	0	111.1	K384 A423 R424 Y425	K384-D421 HydrophobicContact CB-CB 4.44Å; K384-D421 PolarHBondContact N-OD2 2.86Å; D421-A423 VanDerWaalsContact C-N 3.28Å; D421-A423 PolarHBondContact O-N 2.77Å; D421-A423 PolarHBondContact OD1-N 3.42Å; D421-R424 HydrophobicContact CB-CB 4.34Å; D421-R424 PolarHBondContact O-N 2.9Å; D421-R424 PolarHBondContact OD1-N 3.38Å; D421-Y425 WeakPolarHBondContact O-CD2 3.45Å
422	M	80.1	Confident	80	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-37.8	-179.4	-170.2	-177	-177.7	0	0	112.6	W420 R424 Y425 T426 V433 L437 R496 T499 Y561	W420-M422 HydrophobicContact CE3-CB 4.31Å; W420-M422 HydrophobicContact CH2-CB 4.12Å; W420-M422 HydrophobicContact CH2-CG 3.79Å; W420-M422 HydrophobicContact CZ3-CB 3.93Å; W420-M422 HydrophobicContact CZ3-CG 3.87Å; W420-M422 HydrophobicContact CZ3-SD 4.43Å; W420-M422 PolarHBondContact O-N 2.98Å; W420-M422 VanDerWaalsContact O-N 3.15Å; M422-R424 VanDerWaalsContact C-N 3.3Å; M422-R424 PolarHBondContact O-N 3.49Å; M422-Y425 PolarHBondContact O-N 3.26Å; M422-Y425 VanDerWaalsContact O-N 3.13Å; M422-T426 PolarHBondContact O-N 3.48Å; M422-T426 VanDerWaalsContact O-N 3.1Å; M422-T426 PolarHBondContact O-OG1 3.19Å; M422-V433 HydrophobicContact CE-CG1 3.6Å; M422-V433 HydrophobicContact CG-CG1 3.8Å; M422-L437 HydrophobicContact CE-CD1 4.39Å; M422-R496 HydrophobicContact SD-CB 3.75Å; M422-R496 HydrophobicContact SD-CG 3.72Å; M422-T499 HydrophobicContact CE-CG2 3.68Å; M422-Y561 HydrophobicContact CE-CD1 3.62Å; M422-Y561 HydrophobicContact CE-CD2 4.22Å; M422-Y561 HydrophobicContact CE-CE1 3.49Å; M422-Y561 VanDerWaalsContact CE-CE1 3.49Å; M422-Y561 HydrophobicContact CE-CE2 4.12Å; M422-Y561 HydrophobicContact CE-CG 3.98Å; M422-Y561 HydrophobicContact SD-CE1 4.35Å
423	A	74	Confident	79.5	Confident	28 Å²	28	66.1 Å²	66.1	23%	0.231	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-33.8	-175.1	0	0	0	0	0	112.6	K383 D421	K383-A423 HydrophobicContact CG-CB 4.45Å; D421-A423 VanDerWaalsContact C-N 3.28Å; D421-A423 PolarHBondContact O-N 2.77Å; D421-A423 PolarHBondContact OD1-N 3.42Å
424	R	74.8	Confident	79	Confident	163 Å²	163	65 Å²	65	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-64.1	-43.6	173.5	-178.5	-177.7	174	-165.1	-2.6	111.8	D421 M422 K427 S428	D421-R424 HydrophobicContact CB-CB 4.34Å; D421-R424 PolarHBondContact O-N 2.9Å; D421-R424 PolarHBondContact OD1-N 3.38Å; M422-R424 VanDerWaalsContact C-N 3.3Å; M422-R424 PolarHBondContact O-N 3.49Å; R424-K427 PolarHBondContact O-N 2.83Å; R424-S428 PolarHBondContact O-N 3.07Å
425	Y	71.5	Confident	78.4	Confident	63 Å²	63	64.3 Å²	64.3	25%	0.247	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-34.7	-177.9	-81.1	-100.8	0	0	0	111.6	W420 D421 M422 K427 S428 C431 V433	W420-Y425 AromaticContact CD1-CE2 3.94Å; W420-Y425 HydrophobicContact CZ2-CD2 4.49Å; W420-Y425 HydrophobicContact CZ2-CG 4.35Å; W420-Y425 AromaticContact NE1-CD2 3.44Å; W420-Y425 AromaticContact NE1-CE2 3.39Å; W420-Y425 AromaticContact NE1-CG 4Å; W420-Y425 AromaticContact NE1-CZ 3.93Å; D421-Y425 WeakPolarHBondContact O-CD2 3.45Å; M422-Y425 PolarHBondContact O-N 3.26Å; M422-Y425 VanDerWaalsContact O-N 3.13Å; Y425-K427 PolarHBondContact O-N 2.96Å; Y425-S428 WeakPolarHBondContact O-CB 3.09Å; Y425-S428 PolarHBondContact O-N 2.6Å; Y425-S428 VanDerWaalsContact O-N 3.12Å; Y425-C431 HydrophobicContact CD1-CB 3.45Å; Y425-C431 VanDerWaalsContact CD1-CB 3.45Å; Y425-C431 HydrophobicContact CE1-CB 3.65Å; Y425-V433 VanDerWaalsContact C-CG2 3.45Å
426	T	70.4	Confident	78	Confident	55 Å²	55	69.7 Å²	69.7	34%	0.337	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-36.1	174.6	-51.5	0	0	0	0	112.5	M422 V433 Y561	M422-T426 PolarHBondContact O-N 3.48Å; M422-T426 VanDerWaalsContact O-N 3.1Å; M422-T426 PolarHBondContact O-OG1 3.19Å; T426-V433 VanDerWaalsContact N-CG2 3.31Å; T426-Y561 HydrophobicContact CG2-CD1 4.32Å; T426-Y561 HydrophobicContact CG2-CE1 4.44Å
427	K	68.6	Low	77.7	Confident	185 Å²	185	67.6 Å²	67.6	80%	0.804	33%	0.328	S	S	*	.	H	α-helix	trans	-82.9	-13.2	179.2	-65.3	-178.2	-179.7	-173.6	0	113.6	R424 Y425	R424-K427 PolarHBondContact O-N 2.83Å; Y425-K427 PolarHBondContact O-N 2.96Å
428	S	70.6	Confident	77.4	Confident	37 Å²	37	67.7 Å²	67.7	26%	0.259	34%	0.335	S	S	.	.			trans	-76.7	136.7	-179.7	-173.7	0	0	0	0	111	R424 Y425 L430 C431	R424-S428 PolarHBondContact O-N 3.07Å; Y425-S428 WeakPolarHBondContact O-CB 3.09Å; Y425-S428 PolarHBondContact O-N 2.6Å; Y425-S428 VanDerWaalsContact O-N 3.12Å; S428-L430 PolarHBondContact OG-N 2.89Å; S428-C431 PolarHBondContact OG-N 2.87Å
429	K	61	Low	77.3	Confident	212 Å²	212	71 Å²	71	92%	0.922	35%	0.351	S	S	*	.	S	Bend	trans	-80.6	-20.5	169.5	-68.6	-175.1	-179.4	-180	0	112.6
430	L	57.8	Low	77.4	Confident	168 Å²	168	70.6 Å²	70.6	88%	0.88	35%	0.345	S	S	*	.	S	Bend	trans	-96.9	-19.5	-170.8	-66.4	171.6	0	0	0	114.2	S428	S428-L430 PolarHBondContact OG-N 2.89Å
431	C	61	Low	77.7	Confident	57 Å²	57	69.9 Å²	69.9	39%	0.385	34%	0.343	S	S	.	.			trans	-127.9	129.2	-173.2	-52.9	0	0	0	0	110.8	Y425 S428	Y425-C431 HydrophobicContact CD1-CB 3.45Å; Y425-C431 VanDerWaalsContact CD1-CB 3.45Å; Y425-C431 HydrophobicContact CE1-CB 3.65Å; S428-C431 PolarHBondContact OG-N 2.87Å
432	N	77.3	Confident	78.2	Confident	74 Å²	74	72.3 Å²	72.3	40%	0.396	35%	0.354	S	S	.	.			trans	-87.7	125.3	173.5	-170.6	-14.7	0	0	0	110.2	L434 D435 R436	N432-L434 PolarHBondContact O-N 3.39Å; N432-L434 WeakPolarHBondContact OD1-CB 3.33Å; N432-L434 PolarHBondContact OD1-N 2.93Å; N432-D435 HydrophobicContact CB-CB 4.14Å; N432-D435 WeakPolarHBondContact CB-OD2 3.28Å; N432-D435 PolarHBondContact ND2-OD2 3.38Å; N432-D435 PolarHBondContact O-N 3.43Å; N432-R436 PolarHBondContact O-N 3Å
433	V	78.1	Confident	78.9	Confident	6 Å²	6	76 Å²	76	4%	0.036	37%	0.374	C	S	.	.	H	α-helix	trans	-53.6	-41.5	175.2	177.2	0	0	0	0	110.9	W420 M422 Y425 T426 L437	W420-V433 HydrophobicContact CH2-CG1 3.58Å; W420-V433 HydrophobicContact CZ2-CG1 4.13Å; M422-V433 HydrophobicContact CE-CG1 3.6Å; M422-V433 HydrophobicContact CG-CG1 3.8Å; Y425-V433 VanDerWaalsContact C-CG2 3.45Å; T426-V433 VanDerWaalsContact N-CG2 3.31Å; V433-L437 HydrophobicContact CG1-CD1 4.11Å; V433-L437 WeakPolarHBondContact O-CB 3.47Å; V433-L437 PolarHBondContact O-N 3.22Å
434	L	80.3	Confident	79.9	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-72.9	-35.2	-174	-58.2	175.1	0	0	0	112.4	N432 L437 S438 M503 R562	N432-L434 PolarHBondContact O-N 3.39Å; N432-L434 WeakPolarHBondContact OD1-CB 3.33Å; N432-L434 PolarHBondContact OD1-N 2.93Å; L434-L437 PolarHBondContact O-N 3.26Å; L434-S438 WeakPolarHBondContact O-CB 3.33Å; L434-S438 PolarHBondContact O-N 3.13Å; L434-M503 HydrophobicContact CD2-CG 4.06Å; L434-M503 HydrophobicContact CD2-SD 3.83Å; L434-R562 HydrophobicContact CD1-CB 4.38Å; L434-R562 HydrophobicContact CD1-CG 3.54Å
435	D	83.6	Confident	80.8	Confident	102 Å²	102	67 Å²	67	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-68.5	-42.2	179.6	-64.1	-24	0	0	0	110.7	N432 S438 M439	N432-D435 HydrophobicContact CB-CB 4.14Å; N432-D435 WeakPolarHBondContact CB-OD2 3.28Å; N432-D435 PolarHBondContact ND2-OD2 3.38Å; N432-D435 PolarHBondContact O-N 3.43Å; D435-S438 WeakPolarHBondContact O-CB 3.33Å; D435-S438 PolarHBondContact O-N 3.36Å; D435-M439 PolarHBondContact O-N 2.93Å; D435-M439 VanDerWaalsContact O-N 3.15Å
436	R	87.4	Confident	81.9	Confident	116 Å²	116	65.9 Å²	65.9	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-66.6	-40.7	174.5	-171.9	62.5	178.8	-169.9	2.7	111.7	W420 N432 S438 M439 I440	W420-R436 HydrophobicContact CZ2-CB 4.29Å; W420-R436 HydrophobicContact CZ2-CG 4.38Å; N432-R436 PolarHBondContact O-N 3Å; R436-S438 VanDerWaalsContact C-N 3.31Å; R436-S438 PolarHBondContact O-N 3.36Å; R436-M439 PolarHBondContact O-N 2.9Å; R436-I440 HydrophobicContact CG-CD1 4.27Å; R436-I440 WeakPolarHBondContact O-CG1 3.37Å; R436-I440 PolarHBondContact O-N 2.88Å
437	L	87.6	Confident	83	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-39	173.3	-86	172.2	0	0	0	112.3	W420 M422 V433 L434 M439 I440 A441 A500 M503	W420-L437 HydrophobicContact CE3-CD2 3.99Å; W420-L437 HydrophobicContact CE3-CG 4.43Å; W420-L437 HydrophobicContact CH2-CD1 3.73Å; W420-L437 HydrophobicContact CH2-CD2 3.82Å; W420-L437 HydrophobicContact CH2-CG 3.35Å; W420-L437 HydrophobicContact CZ2-CG 4.37Å; W420-L437 HydrophobicContact CZ3-CD1 3.83Å; W420-L437 HydrophobicContact CZ3-CD2 3.29Å; W420-L437 HydrophobicContact CZ3-CG 3.41Å; W420-L437 VanDerWaalsContact CZ3-CG 3.41Å; M422-L437 HydrophobicContact CE-CD1 4.39Å; V433-L437 HydrophobicContact CG1-CD1 4.11Å; V433-L437 WeakPolarHBondContact O-CB 3.47Å; V433-L437 PolarHBondContact O-N 3.22Å; L434-L437 PolarHBondContact O-N 3.26Å; L437-M439 VanDerWaalsContact C-N 3.3Å; L437-M439 PolarHBondContact O-N 2.99Å; L437-I440 PolarHBondContact O-N 3.33Å; L437-A441 WeakPolarHBondContact O-CB 3.48Å; L437-A441 PolarHBondContact O-N 2.87Å; L437-A500 HydrophobicContact CD2-CB 4.15Å; L437-M503 HydrophobicContact CB-CB 4Å; L437-M503 HydrophobicContact CB-CG 4.02Å; L437-M503 HydrophobicContact CD1-CB 4.29Å; L437-M503 HydrophobicContact CD1-CG 3.89Å
438	S	89.1	Confident	84.2	Confident	48 Å²	48	58.5 Å²	58.5	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-40.3	177.3	-167.1	0	0	0	0	111.4	L434 D435 R436 A441 E442	L434-S438 WeakPolarHBondContact O-CB 3.33Å; L434-S438 PolarHBondContact O-N 3.13Å; D435-S438 WeakPolarHBondContact O-CB 3.33Å; D435-S438 PolarHBondContact O-N 3.36Å; R436-S438 VanDerWaalsContact C-N 3.31Å; R436-S438 PolarHBondContact O-N 3.36Å; S438-A441 PolarHBondContact O-N 2.91Å; S438-E442 WeakPolarHBondContact O-CB 3.2Å; S438-E442 PolarHBondContact O-N 3.41Å
439	M	90.6	Very high	85.3	Confident	113 Å²	113	56.8 Å²	56.8	56%	0.557	28%	0.279	S	S	*	.	H	α-helix	trans	-65.8	-44.7	175.6	-179.4	-173.9	-73.5	0	0	112	D435 R436 L437 A441 E442 N443	D435-M439 PolarHBondContact O-N 2.93Å; D435-M439 VanDerWaalsContact O-N 3.15Å; R436-M439 PolarHBondContact O-N 2.9Å; L437-M439 VanDerWaalsContact C-N 3.3Å; L437-M439 PolarHBondContact O-N 2.99Å; M439-A441 VanDerWaalsContact C-N 3.33Å; M439-E442 PolarHBondContact O-N 3.41Å; M439-N443 PolarHBondContact O-N 2.93Å; M439-N443 VanDerWaalsContact O-N 3.15Å
440	I	92.9	Very high	87	Confident	15 Å²	15	46.7 Å²	46.7	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176	-64.8	166.9	0	0	0	109.8	L379 I418 W420 R436 L437 E442 N443 V444	L379-I440 HydrophobicContact CD1-CD1 4.45Å; L379-I440 HydrophobicContact CD1-CG2 4.44Å; I418-I440 HydrophobicContact CD1-CG2 4.46Å; W420-I440 HydrophobicContact CD2-CD1 4.27Å; W420-I440 HydrophobicContact CE3-CD1 4.42Å; W420-I440 HydrophobicContact CG-CD1 4.38Å; R436-I440 HydrophobicContact CG-CD1 4.27Å; R436-I440 WeakPolarHBondContact O-CG1 3.37Å; R436-I440 PolarHBondContact O-N 2.88Å; L437-I440 PolarHBondContact O-N 3.33Å; I440-E442 PolarHBondContact O-N 3.4Å; I440-N443 PolarHBondContact O-N 2.98Å; I440-V444 HydrophobicContact CG2-CG2 4.12Å; I440-V444 WeakPolarHBondContact O-CB 3.27Å; I440-V444 WeakPolarHBondContact O-CG2 3.1Å; I440-V444 PolarHBondContact O-N 3.08Å
441	A	93.4	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-45.1	178.9	0	0	0	0	0	112.6	L437 S438 M439 V444 V445 V504 C507	L437-A441 WeakPolarHBondContact O-CB 3.48Å; L437-A441 PolarHBondContact O-N 2.87Å; S438-A441 PolarHBondContact O-N 2.91Å; M439-A441 VanDerWaalsContact C-N 3.33Å; A441-V444 PolarHBondContact O-N 3.23Å; A441-V445 WeakPolarHBondContact O-CB 3.34Å; A441-V445 WeakPolarHBondContact O-CG2 3.26Å; A441-V445 PolarHBondContact O-N 2.77Å; A441-V504 HydrophobicContact CB-CB 4.13Å; A441-V504 HydrophobicContact CB-CG1 4.34Å; A441-V504 HydrophobicContact CB-CG2 3.76Å; A441-C507 HydrophobicContact CB-CB 3.8Å
442	E	92.7	Very high	90.3	Very high	66 Å²	66	36.5 Å²	36.5	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-62.2	-45.7	177.2	-171.2	170.7	-174.9	0	0	111.4	S438 M439 I440 V444 K446	S438-E442 WeakPolarHBondContact O-CB 3.2Å; S438-E442 PolarHBondContact O-N 3.41Å; M439-E442 PolarHBondContact O-N 3.41Å; I440-E442 PolarHBondContact O-N 3.4Å; E442-V444 VanDerWaalsContact C-N 3.35Å; E442-V444 PolarHBondContact O-N 2.88Å; E442-K446 HydrophobicContact CG-CD 4.35Å; E442-K446 VanDerWaalsContact O-CB 3.31Å; E442-K446 WeakPolarHBondContact O-CB 3.2Å; E442-K446 VanDerWaalsContact O-CG 3.29Å; E442-K446 WeakPolarHBondContact O-CG 3.44Å; E442-K446 PolarHBondContact O-N 3.38Å; E442-K446 IonicContact OE1-NZ 2.98Å
443	N	94.1	Very high	91	Very high	79 Å²	79	33.4 Å²	33.4	42%	0.422	16%	0.161	S	C	.	.	H	α-helix	trans	-61.7	-42.5	176.3	-173	33.5	0	0	0	112.2	M439 I440 R447	M439-N443 PolarHBondContact O-N 2.93Å; M439-N443 VanDerWaalsContact O-N 3.15Å; I440-N443 PolarHBondContact O-N 2.98Å; N443-R447 VanDerWaalsContact O-CG 3.27Å; N443-R447 WeakPolarHBondContact O-CG 3.32Å; N443-R447 PolarHBondContact O-N 3.41Å; N443-R447 VanDerWaalsContact O-N 3.12Å; N443-R447 WeakPolarHBondContact OD1-CD 3.33Å
444	V	94.9	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-50.5	179.6	166.8	0	0	0	0	111.4	I377 I440 A441 E442 K446 R447 T448 L486 V504	I377-V444 HydrophobicContact CD1-CB 4.46Å; I377-V444 HydrophobicContact CD1-CG1 4.44Å; I377-V444 HydrophobicContact CD1-CG2 4.16Å; I377-V444 HydrophobicContact CG2-CG2 4.2Å; I440-V444 HydrophobicContact CG2-CG2 4.12Å; I440-V444 WeakPolarHBondContact O-CB 3.27Å; I440-V444 WeakPolarHBondContact O-CG2 3.1Å; I440-V444 PolarHBondContact O-N 3.08Å; A441-V444 PolarHBondContact O-N 3.23Å; E442-V444 VanDerWaalsContact C-N 3.35Å; E442-V444 PolarHBondContact O-N 2.88Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 2.99Å; V444-R447 PolarHBondContact O-N 3.09Å; V444-R447 VanDerWaalsContact O-N 3.14Å; V444-T448 HydrophobicContact CG1-CG2 4.4Å; V444-T448 WeakPolarHBondContact O-CB 3.36Å; V444-T448 WeakPolarHBondContact O-CG2 3.28Å; V444-T448 PolarHBondContact O-N 3.21Å; V444-T448 PolarHBondContact O-OG1 3.08Å; V444-L486 HydrophobicContact CG1-CB 3.72Å; V444-L486 HydrophobicContact CG1-CD1 4.12Å; V444-L486 HydrophobicContact CG1-CD2 4.21Å; V444-L486 HydrophobicContact CG1-CG 4.22Å; V444-L486 HydrophobicContact CG2-CD1 3.93Å; V444-V504 HydrophobicContact CG1-CG1 4.18Å
445	V	94.3	Very high	91.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-179.3	173.5	0	0	0	0	110.6	Y325 A441 R447 G449 I471 V504 C507 A508 Y511	Y325-V445 HydrophobicContact CE2-CG2 4.46Å; A441-V445 WeakPolarHBondContact O-CB 3.34Å; A441-V445 WeakPolarHBondContact O-CG2 3.26Å; A441-V445 PolarHBondContact O-N 2.77Å; V445-R447 PolarHBondContact O-N 3.12Å; V445-G449 WeakPolarHBondContact O-CA 3.32Å; V445-G449 PolarHBondContact O-N 3.48Å; V445-I471 HydrophobicContact CG1-CD1 4.44Å; V445-V504 HydrophobicContact CG2-CG1 4.01Å; V445-C507 HydrophobicContact CG2-CB 4.34Å; V445-A508 HydrophobicContact CG2-CB 4.04Å; V445-Y511 HydrophobicContact CG1-CD2 3.83Å; V445-Y511 HydrophobicContact CG1-CE2 4.26Å; V445-Y511 HydrophobicContact CG1-CG 4.34Å
446	K	93.6	Very high	91.2	Very high	41 Å²	41	40 Å²	40	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-28.9	174.4	-76.9	-173	175.7	-163.4	0	113.3	E442 V444 D470 G472	E442-K446 HydrophobicContact CG-CD 4.35Å; E442-K446 VanDerWaalsContact O-CB 3.31Å; E442-K446 WeakPolarHBondContact O-CB 3.2Å; E442-K446 VanDerWaalsContact O-CG 3.29Å; E442-K446 WeakPolarHBondContact O-CG 3.44Å; E442-K446 PolarHBondContact O-N 3.38Å; E442-K446 IonicContact OE1-NZ 2.98Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 2.99Å; K446-D470 HydrophobicContact CD-CB 3.93Å; K446-D470 IonicContact NZ-OD2 3.84Å; K446-D470 PolarHBondContact NZ-OD2 3.49Å; K446-G472 VanDerWaalsContact O-CA 3.27Å; K446-G472 WeakPolarHBondContact O-CA 3.07Å; K446-G472 PolarHBondContact O-N 3.48Å
447	R	93.8	Very high	90.9	Very high	85 Å²	85	37.7 Å²	37.7	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-91.5	-36.7	-179.5	-68.5	178.4	68.6	-143.5	-1.6	113.7	P375 I377 D416 N443 V444 V445	P375-R447 HydrophobicContact CG-CB 4.33Å; I377-R447 HydrophobicContact CD1-CB 4.22Å; D416-R447 VanDerWaalsContact CG-NH1 3.32Å; D416-R447 IonicContact OD1-NH1 3.47Å; D416-R447 IonicContact OD1-NH2 2.91Å; D416-R447 IonicContact OD2-CZ 2.71Å; D416-R447 IonicContact OD2-NH1 3.96Å; D416-R447 PolarHBondContact OD2-NH1 3.26Å; D416-R447 IonicContact OD2-NH2 3.61Å; D416-R447 PolarHBondContact OD2-NH2 3.36Å; N443-R447 VanDerWaalsContact O-CG 3.27Å; N443-R447 WeakPolarHBondContact O-CG 3.32Å; N443-R447 PolarHBondContact O-N 3.41Å; N443-R447 VanDerWaalsContact O-N 3.12Å; N443-R447 WeakPolarHBondContact OD1-CD 3.33Å; V444-R447 PolarHBondContact O-N 3.09Å; V444-R447 VanDerWaalsContact O-N 3.14Å; V445-R447 PolarHBondContact O-N 3.12Å
448	T	94.4	Very high	90.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-83	-30.1	-177.8	51.8	0	0	0	0	112.9	I377 V444 T483 G484	I377-T448 HydrophobicContact CD1-CG2 4.08Å; V444-T448 HydrophobicContact CG1-CG2 4.4Å; V444-T448 WeakPolarHBondContact O-CB 3.36Å; V444-T448 WeakPolarHBondContact O-CG2 3.28Å; V444-T448 PolarHBondContact O-N 3.21Å; V444-T448 PolarHBondContact O-OG1 3.08Å; T448-T483 PolarHBondContact O-N 3.31Å; T448-T483 VanDerWaalsContact O-N 3.16Å; T448-G484 WeakPolarHBondContact CB-O 3.48Å
449	G	94.4	Very high	90.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.			trans	67.2	-170.3	-169.1	0	0	0	0	0	112	V445 G472	V445-G449 WeakPolarHBondContact O-CA 3.32Å; V445-G449 PolarHBondContact O-N 3.48Å; G449-G472 WeakPolarHBondContact CA-O 3.45Å
450	F	95.6	Very high	89.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.			trans	-150.3	160.2	172.6	64.2	-87.1	0	0	0	109.1	S324 Y325 I452 W468 I471 Q512 A515	S324-F450 WeakPolarHBondContact O-CB 3.28Å; Y325-F450 HydrophobicContact CD2-CB 3.87Å; Y325-F450 HydrophobicContact CG-CB 4.44Å; F450-I452 HydrophobicContact CD2-CD1 4.12Å; F450-I452 HydrophobicContact CD2-CG1 3.65Å; F450-I452 HydrophobicContact CE2-CD1 3.33Å; F450-I452 HydrophobicContact CE2-CG1 3.27Å; F450-I452 HydrophobicContact CZ-CD1 3.67Å; F450-I452 HydrophobicContact CZ-CG1 4.13Å; F450-W468 HydrophobicContact CE1-CH2 4.34Å; F450-W468 AromaticContact CE1-CZ3 4Å; F450-W468 HydrophobicContact CE1-CZ3 4Å; F450-W468 AromaticContact CZ-CH2 3.93Å; F450-W468 HydrophobicContact CZ-CH2 3.93Å; F450-W468 AromaticContact CZ-CZ3 3.84Å; F450-W468 HydrophobicContact CZ-CZ3 3.84Å; F450-I471 HydrophobicContact CD1-CD1 3.71Å; F450-I471 HydrophobicContact CE1-CD1 3.34Å; F450-Q512 HydrophobicContact CD2-CG 3.6Å; F450-Q512 HydrophobicContact CE2-CB 4.19Å; F450-Q512 HydrophobicContact CE2-CG 3.52Å; F450-Q512 HydrophobicContact CG-CG 4.23Å; F450-Q512 HydrophobicContact CZ-CG 4.13Å; F450-A515 HydrophobicContact CE2-CB 4.22Å; F450-A515 HydrophobicContact CZ-CB 3.88Å
451	F	95.5	Very high	89.1	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.7	-179	177.8	-100.5	0	0	0	111.8	Q175 L178 S323 S324 N453 R480 L481	Q175-F451 HydrophobicContact CB-CB 3.97Å; Q175-F451 HydrophobicContact CB-CD1 4.44Å; Q175-F451 HydrophobicContact CB-CD2 3.63Å; Q175-F451 HydrophobicContact CB-CE2 4.24Å; Q175-F451 HydrophobicContact CB-CG 3.73Å; Q175-F451 HydrophobicContact CG-CB 4.36Å; Q175-F451 HydrophobicContact CG-CD2 3.45Å; Q175-F451 VanDerWaalsContact CG-CD2 3.45Å; Q175-F451 HydrophobicContact CG-CE2 4Å; Q175-F451 HydrophobicContact CG-CG 4.06Å; L178-F451 HydrophobicContact CB-CE1 4.32Å; L178-F451 HydrophobicContact CB-CZ 3.77Å; L178-F451 HydrophobicContact CD1-CE1 3.5Å; L178-F451 HydrophobicContact CD1-CZ 3.75Å; L178-F451 HydrophobicContact CG-CZ 4.41Å; S323-F451 CarbonylContact C-O 3.56Å; S323-F451 WeakPolarHBondContact CA-O 3.42Å; S323-F451 WeakPolarHBondContact CB-O 3.26Å; S324-F451 PolarHBondContact N-O 3.3Å; S324-F451 WeakPolarHBondContact O-CB 3Å; S324-F451 PolarHBondContact O-N 2.9Å; F451-N453 HydrophobicContact CE1-CB 3.93Å; F451-N453 HydrophobicContact CZ-CB 3.87Å; F451-R480 CarbonylContact C-O 3.59Å; F451-R480 VanDerWaalsContact CA-O 3.31Å; F451-R480 WeakPolarHBondContact CA-O 3.02Å; F451-R480 WeakPolarHBondContact CD2-O 3.38Å; F451-L481 HydrophobicContact CD2-CD2 3.72Å; F451-L481 HydrophobicContact CE2-CD2 3.71Å
452	I	93.4	Very high	88.5	Confident	9 Å²	9	50.8 Å²	50.8	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.5	168.8	-49.5	169.7	0	0	0	108.5	Y322 F450 R454 W468 G479 R480 A515	Y322-I452 WeakPolarHBondContact O-CA 3.46Å; F450-I452 HydrophobicContact CD2-CD1 4.12Å; F450-I452 HydrophobicContact CD2-CG1 3.65Å; F450-I452 HydrophobicContact CE2-CD1 3.33Å; F450-I452 HydrophobicContact CE2-CG1 3.27Å; F450-I452 HydrophobicContact CZ-CD1 3.67Å; F450-I452 HydrophobicContact CZ-CG1 4.13Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 WeakPolarHBondContact CG2-O 3.5Å; I452-R454 PolarHBondContact O-N 3.28Å; I452-W468 HydrophobicContact CD1-CH2 4Å; I452-G479 WeakPolarHBondContact O-CA 3.29Å; I452-R480 PolarHBondContact N-O 2.74Å; I452-R480 PolarHBondContact O-N 3.34Å; I452-A515 HydrophobicContact CD1-CB 3.6Å
453	N	90.7	Very high	87.9	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.048	27%	0.266	C	S	.	.	S	Bend	trans	-86.1	1.9	-178.7	77.7	-29.6	0	0	0	114.9	L178 F317 G320 Y322 F451 T478	L178-N453 HydrophobicContact CD1-CB 4.09Å; F317-N453 PolarHBondContact O-ND2 3.31Å; F317-N453 VanDerWaalsContact O-ND2 3.07Å; G320-N453 PolarHBondContact O-ND2 2.79Å; G320-N453 PolarHBondContact O-OD1 3.45Å; Y322-N453 PolarHBondContact N-OD1 3.26Å; Y322-N453 PolarHBondContact O-N 2.78Å; Y322-N453 VanDerWaalsContact O-N 3.13Å; Y322-N453 PolarHBondContact O-OD1 3.31Å; F451-N453 HydrophobicContact CE1-CB 3.93Å; F451-N453 HydrophobicContact CZ-CB 3.87Å; N453-T478 CarbonylContact C-O 3.58Å; N453-T478 VanDerWaalsContact O-O 3.08Å
454	R	85	Confident	87.4	Confident	96 Å²	96	55.3 Å²	55.3	36%	0.362	27%	0.271	S	S	.	.	S	Bend	trans	-132.6	151.2	-178.2	-75.3	-165.4	173.3	-119.1	-20	111.2	T318 A319 G320 S321 I452 T478 G479	T318-R454 PolarHBondContact O-NH2 2.88Å; A319-R454 PolarHBondContact O-NE 3.35Å; A319-R454 PolarHBondContact O-NH2 2.87Å; G320-R454 PolarHBondContact O-NE 2.64Å; S321-R454 WeakPolarHBondContact OG-CD 3.3Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 WeakPolarHBondContact CG2-O 3.5Å; I452-R454 PolarHBondContact O-N 3.28Å; R454-T478 CarbonylContact C-O 3.57Å; R454-T478 WeakPolarHBondContact CA-O 3.42Å; R454-T478 PolarHBondContact N-O 3.24Å; R454-T478 VanDerWaalsContact N-O 3.1Å; R454-G479 WeakPolarHBondContact O-CA 3.43Å
455	S	82.1	Confident	87	Confident	81 Å²	81	56.4 Å²	56.4	57%	0.566	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-67.3	161.3	173	55.5	0	0	0	0	111.9	F457 T478	S455-F457 PolarHBondContact O-N 2.9Å; S455-T478 PolarHBondContact N-O 3.28Å; S455-T478 VanDerWaalsContact N-O 3.1Å
456	D	80.8	Confident	86.6	Confident	80 Å²	80	61.2 Å²	61.2	43%	0.428	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-55.3	137	179.4	-73.8	5	0	0	0	111.4	W468	D456-W468 PolarHBondContact OD2-NE1 2.96Å
457	F	80.8	Confident	86.1	Confident	67 Å²	67	62.3 Å²	62.3	29%	0.294	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-70.5	145.7	176.9	-74.8	-95.4	0	0	0	110.1	S455 C459 H460 A515	S455-F457 PolarHBondContact O-N 2.9Å; F457-C459 WeakPolarHBondContact CB-SG 3.31Å; F457-C459 PolarHBondContact O-N 3.42Å; F457-H460 PolarHBondContact N-ND1 3.43Å; F457-H460 WeakPolarHBondContact O-CB 3.28Å; F457-H460 PolarHBondContact O-N 2.59Å; F457-H460 PolarHBondContact O-ND1 2.88Å; F457-A515 WeakPolarHBondContact CD2-O 3.28Å; F457-A515 WeakPolarHBondContact CE2-O 3.29Å
458	Y	79.1	Confident	85.7	Confident	165 Å²	165	59 Å²	59	65%	0.647	29%	0.293	S	S	*	.	H	α-helix	trans	-55	-27.2	178.3	-175	-109	0	0	0	113.3	H460 T461 L462	Y458-H460 PolarHBondContact O-N 2.82Å; Y458-T461 WeakPolarHBondContact O-CB 3.31Å; Y458-T461 PolarHBondContact O-N 2.77Å; Y458-L462 HydrophobicContact CD1-CD1 3.92Å; Y458-L462 HydrophobicContact CD1-CG 4.11Å; Y458-L462 HydrophobicContact CE1-CD1 3.74Å; Y458-L462 HydrophobicContact CE1-CD2 3.83Å; Y458-L462 HydrophobicContact CE1-CG 3.78Å; Y458-L462 PolarHBondContact O-N 2.76Å
459	C	80.4	Confident	85.1	Confident	52 Å²	52	66.9 Å²	66.9	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-57.9	-30.3	175.4	60.7	0	0	0	0	113.6	F457 T461 L462 R463	F457-C459 WeakPolarHBondContact CB-SG 3.31Å; F457-C459 PolarHBondContact O-N 3.42Å; C459-T461 VanDerWaalsContact C-N 3.3Å; C459-T461 PolarHBondContact O-N 2.85Å; C459-L462 PolarHBondContact O-N 3.3Å; C459-R463 PolarHBondContact O-N 3.22Å
460	H	81.4	Confident	84.6	Confident	16 Å²	16	71.5 Å²	71.5	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-72	-26.6	177.1	-58.9	131	0	0	0	112.8	F457 Y458 R463 P464 Y514 A515	F457-H460 PolarHBondContact N-ND1 3.43Å; F457-H460 WeakPolarHBondContact O-CB 3.28Å; F457-H460 PolarHBondContact O-N 2.59Å; F457-H460 PolarHBondContact O-ND1 2.88Å; Y458-H460 PolarHBondContact O-N 2.82Å; H460-R463 CarbonylContact O-C 3.6Å; H460-P464 WeakPolarHBondContact O-CA 3.44Å; H460-Y514 AromaticContact CD2-CD1 3.99Å; H460-Y514 AromaticContact CD2-CE1 3.31Å; H460-Y514 WeakPolarHBondContact CD2-CE1 3.33Å; H460-Y514 AromaticContact CD2-CZ 3.36Å; H460-Y514 PolarHBondContact CD2-OH 2.78Å; H460-Y514 PolarHBondContact CE1-O 3.37Å; H460-Y514 VanDerWaalsContact CE1-O 3.23Å; H460-Y514 AromaticContact NE2-CD1 3.71Å; H460-Y514 AromaticContact NE2-CE1 3.54Å; H460-Y514 AromaticContact NE2-CZ 3.89Å; H460-Y514 PolarHBondContact NE2-O 3.44Å; H460-A515 PolarHBondContact CE1-O 2.8Å
461	T	80.8	Confident	84.3	Confident	104 Å²	104	72.1 Å²	72.1	64%	0.638	35%	0.35	S	S	*	.	H	α-helix	trans	-70.6	-36.5	171.2	-54.5	0	0	0	0	110.8	Y458 C459	Y458-T461 WeakPolarHBondContact O-CB 3.31Å; Y458-T461 PolarHBondContact O-N 2.77Å; C459-T461 VanDerWaalsContact C-N 3.3Å; C459-T461 PolarHBondContact O-N 2.85Å
462	L	81.1	Confident	83.9	Confident	114 Å²	114	73 Å²	73	60%	0.597	36%	0.36	S	S	*	.	H	α-helix	trans	-75.3	-33.2	178.3	-62.6	176.8	0	0	0	113	Y458 C459	Y458-L462 HydrophobicContact CD1-CD1 3.92Å; Y458-L462 HydrophobicContact CD1-CG 4.11Å; Y458-L462 HydrophobicContact CE1-CD1 3.74Å; Y458-L462 HydrophobicContact CE1-CD2 3.83Å; Y458-L462 HydrophobicContact CE1-CG 3.78Å; Y458-L462 PolarHBondContact O-N 2.76Å; C459-L462 PolarHBondContact O-N 3.3Å
463	R	80.9	Confident	83.6	Confident	162 Å²	162	73.7 Å²	73.7	61%	0.611	37%	0.369	S	S	*	.	S	Bend	trans	-132.4	74.9	-177.1	-62.7	-179	-174.7	173.9	1.8	110.3	C459 H460 Y514 D520	C459-R463 PolarHBondContact O-N 3.22Å; H460-R463 CarbonylContact O-C 3.6Å; R463-Y514 PolarHBondContact O-OH 2.92Å; R463-D520 IonicContact CZ-OD1 3.04Å; R463-D520 IonicContact NH1-OD1 2.86Å; R463-D520 PolarHBondContact NH1-OD1 3.21Å; R463-D520 IonicContact NH1-OD2 3.68Å
464	P	82.3	Confident	83.5	Confident	79 Å²	79	75.1 Å²	75.1	51%	0.513	38%	0.38	S	S	.	.			trans	-70.5	136.3	178.1	28.6	-33.7	0	0	0	110.7	H460	H460-P464 WeakPolarHBondContact O-CA 3.44Å
465	D	86.6	Confident	83.5	Confident	22 Å²	22	75.7 Å²	75.7	12%	0.118	39%	0.394	C	S	.	.			trans	-111.1	132.6	166	-170.6	-70.3	0	0	0	108.2	R467 W468 Y514	D465-R467 PolarHBondContact O-N 2.78Å; D465-R467 WeakPolarHBondContact OD1-CB 3.15Å; D465-R467 IonicContact OD1-CZ 2.8Å; D465-R467 PolarHBondContact OD1-N 2.8Å; D465-R467 IonicContact OD1-NE 2.79Å; D465-R467 PolarHBondContact OD1-NE 2.84Å; D465-R467 IonicContact OD1-NH2 3.98Å; D465-R467 IonicContact OD2-CZ 2.69Å; D465-R467 IonicContact OD2-NE 3.5Å; D465-R467 IonicContact OD2-NH2 3.47Å; D465-R467 PolarHBondContact OD2-NH2 2.66Å; D465-W468 WeakPolarHBondContact O-CB 2.91Å; D465-W468 PolarHBondContact O-N 3.13Å; D465-Y514 HydrophobicContact CB-CE2 4.4Å; D465-Y514 PolarHBondContact N-OH 3.08Å
466	D	85	Confident	83.6	Confident	102 Å²	102	74 Å²	74	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-32	-177.5	-63.7	-34.4	0	0	0	112.2	W468 R469	D466-W468 PolarHBondContact O-N 2.95Å; D466-R469 PolarHBondContact O-N 3.5Å; D466-R469 VanDerWaalsContact O-N 3.11Å; D466-R469 IonicContact OD1-CZ 2.78Å; D466-R469 IonicContact OD1-NE 2.67Å; D466-R469 IonicContact OD1-NH2 3.13Å; D466-R469 PolarHBondContact OD1-NH2 2.84Å
467	R	84.1	Confident	83.5	Confident	63 Å²	63	76 Å²	76	24%	0.238	40%	0.4	C	S	.	.	H	α-helix	trans	-66.6	-27	178.3	-65.1	170.5	-75.8	-166.4	-3.6	113	D465 R469 Y511 P522	D465-R467 PolarHBondContact O-N 2.78Å; D465-R467 WeakPolarHBondContact OD1-CB 3.15Å; D465-R467 IonicContact OD1-CZ 2.8Å; D465-R467 PolarHBondContact OD1-N 2.8Å; D465-R467 IonicContact OD1-NE 2.79Å; D465-R467 PolarHBondContact OD1-NE 2.84Å; D465-R467 IonicContact OD1-NH2 3.98Å; D465-R467 IonicContact OD2-CZ 2.69Å; D465-R467 IonicContact OD2-NE 3.5Å; D465-R467 IonicContact OD2-NH2 3.47Å; D465-R467 PolarHBondContact OD2-NH2 2.66Å; R467-R469 VanDerWaalsContact C-N 3.34Å; R467-Y511 HydrophobicContact CB-CE1 4.26Å; R467-P522 HydrophobicContact CB-CG 4.03Å
468	W	85.6	Confident	83.4	Confident	15 Å²	15	75.7 Å²	75.7	6%	0.057	40%	0.404	C	S	.	.	H	α-helix	trans	-71.3	-31.6	175.2	-177.8	-112	0	0	0	112	F450 I452 D456 D465 D466 D470 I471 R480 Y511 Y514 A515	F450-W468 HydrophobicContact CE1-CH2 4.34Å; F450-W468 AromaticContact CE1-CZ3 4Å; F450-W468 HydrophobicContact CE1-CZ3 4Å; F450-W468 AromaticContact CZ-CH2 3.93Å; F450-W468 HydrophobicContact CZ-CH2 3.93Å; F450-W468 AromaticContact CZ-CZ3 3.84Å; F450-W468 HydrophobicContact CZ-CZ3 3.84Å; I452-W468 HydrophobicContact CD1-CH2 4Å; D456-W468 PolarHBondContact OD2-NE1 2.96Å; D465-W468 WeakPolarHBondContact O-CB 2.91Å; D465-W468 PolarHBondContact O-N 3.13Å; D466-W468 PolarHBondContact O-N 2.95Å; W468-D470 VanDerWaalsContact C-N 3.33Å; W468-I471 HydrophobicContact CE3-CD1 4.5Å; W468-I471 HydrophobicContact CE3-CG2 4.46Å; W468-I471 HydrophobicContact CZ3-CD1 4.13Å; W468-I471 WeakPolarHBondContact O-CG2 3.1Å; W468-R480 VanDerWaalsContact CZ2-NH1 3.32Å; W468-Y511 HydrophobicContact CE3-CD1 4.08Å; W468-Y511 HydrophobicContact CZ3-CD1 4.36Å; W468-Y514 HydrophobicContact CB-CD1 4.34Å; W468-Y514 HydrophobicContact CB-CE1 3.63Å; W468-Y514 AromaticContact CD2-CD1 3.78Å; W468-Y514 HydrophobicContact CD2-CD1 3.78Å; W468-Y514 AromaticContact CD2-CE1 3.6Å; W468-Y514 HydrophobicContact CD2-CE1 3.6Å; W468-Y514 AromaticContact CE3-CD1 3.59Å; W468-Y514 HydrophobicContact CE3-CD1 3.59Å; W468-Y514 AromaticContact CE3-CE1 3.91Å; W468-Y514 HydrophobicContact CE3-CE1 3.91Å; W468-Y514 HydrophobicContact CG-CD1 4.11Å; W468-Y514 AromaticContact CG-CE1 3.45Å; W468-Y514 HydrophobicContact CG-CE1 3.45Å; W468-Y514 VanDerWaalsContact CG-CE1 3.45Å; W468-Y514 HydrophobicContact CZ3-CD1 4.21Å; W468-A515 HydrophobicContact CH2-CB 3.35Å; W468-A515 HydrophobicContact CZ2-CB 4.12Å; W468-A515 HydrophobicContact CZ3-CB 3.83Å
469	R	81.6	Confident	83.7	Confident	167 Å²	167	68.1 Å²	68.1	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-71.5	-29.5	-178.8	-67.3	-167.1	-100	-156.2	-3.3	113	D466 R467 I471	D466-R469 PolarHBondContact O-N 3.5Å; D466-R469 VanDerWaalsContact O-N 3.11Å; D466-R469 IonicContact OD1-CZ 2.78Å; D466-R469 IonicContact OD1-NE 2.67Å; D466-R469 IonicContact OD1-NH2 3.13Å; D466-R469 PolarHBondContact OD1-NH2 2.84Å; R467-R469 VanDerWaalsContact C-N 3.34Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 2.88Å
470	D	84.4	Confident	84.3	Confident	96 Å²	96	66.7 Å²	66.7	51%	0.513	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.3	-177.9	-60.1	-21.9	0	0	0	114.1	K446 W468	K446-D470 HydrophobicContact CD-CB 3.93Å; K446-D470 IonicContact NZ-OD2 3.84Å; K446-D470 PolarHBondContact NZ-OD2 3.49Å; W468-D470 VanDerWaalsContact C-N 3.33Å
471	I	89	Confident	84.8	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.072	37%	0.365	C	S	.	.			trans	-80.7	130.2	-173.4	-159.6	169.5	0	0	0	111.3	V445 F450 W468 R469 Y511	V445-I471 HydrophobicContact CG1-CD1 4.44Å; F450-I471 HydrophobicContact CD1-CD1 3.71Å; F450-I471 HydrophobicContact CE1-CD1 3.34Å; W468-I471 HydrophobicContact CE3-CD1 4.5Å; W468-I471 HydrophobicContact CE3-CG2 4.46Å; W468-I471 HydrophobicContact CZ3-CD1 4.13Å; W468-I471 WeakPolarHBondContact O-CG2 3.1Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 2.88Å; I471-Y511 HydrophobicContact CD1-CD1 3.82Å; I471-Y511 HydrophobicContact CD1-CE1 4.39Å; I471-Y511 HydrophobicContact CD1-CG 4.14Å
472	G	86.1	Confident	85.5	Confident	21 Å²	21	62.4 Å²	62.4	22%	0.216	34%	0.337	C	S	.	.			trans	-79.2	-161.4	178.5	0	0	0	0	0	112.6	K446 G449 R480	K446-G472 VanDerWaalsContact O-CA 3.27Å; K446-G472 WeakPolarHBondContact O-CA 3.07Å; K446-G472 PolarHBondContact O-N 3.48Å; G449-G472 WeakPolarHBondContact CA-O 3.45Å; G472-R480 WeakPolarHBondContact O-CD 3.15Å
473	G	87.3	Confident	86.1	Confident	23 Å²	23	57.3 Å²	57.3	24%	0.237	31%	0.31	C	S	.	.	S	Bend	trans	89	166.1	-165.5	0	0	0	0	0	112	L481 T483	G473-L481 CarbonylContact C-O 3.59Å; G473-L481 WeakPolarHBondContact CA-O 3.22Å; G473-T483 WeakPolarHBondContact CA-OG1 3.25Å
474	S	88.3	Confident	86.8	Confident	39 Å²	39	49.6 Å²	49.6	27%	0.273	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.5	179	-176.2	0	0	0	0	109.5	R480 L481 T483	S474-R480 CarbonylContact O-C 3.3Å; S474-R480 WeakPolarHBondContact O-CA 3.42Å; S474-L481 PolarHBondContact N-O 3.47Å; S474-L481 PolarHBondContact O-N 3.12Å; S474-T483 VanDerWaalsContact N-CG2 3.35Å
475	V	86.9	Confident	87.5	Confident	107 Å²	107	45.8 Å²	45.8	65%	0.648	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.7	176.7	-178.9	0	0	0	0	108.6
476	T	83.9	Confident	88	Confident	47 Å²	47	44.8 Å²	44.8	29%	0.288	25%	0.251	S	S	.	.			trans	-105.4	170.1	175.7	63.2	0	0	0	0	110.1	T478 G479 L481	T476-T478 PolarHBondContact O-N 3.48Å; T476-T478 PolarHBondContact OG1-OG1 2.98Å; T476-G479 PolarHBondContact N-O 3.49Å; T476-G479 PolarHBondContact O-N 2.86Å; T476-G479 PolarHBondContact OG1-N 2.89Å; T476-G479 VanDerWaalsContact OG1-N 3.09Å; T476-G479 PolarHBondContact OG1-O 3.13Å; T476-L481 HydrophobicContact CG2-CD1 3.91Å; T476-L481 HydrophobicContact CG2-CG 3.89Å
477	S	78.4	Confident	88.6	Confident	121 Å²	121	40 Å²	40	85%	0.846	23%	0.225	S	C	*	.	S	Bend	trans	-60.9	-28.3	174.3	53.4	0	0	0	0	112.9
478	T	77.3	Confident	89	Confident	60 Å²	60	37 Å²	37	37%	0.368	21%	0.214	S	C	.	.	S	Bend	trans	-99.4	-10.4	-177.2	54.1	0	0	0	0	113.5	Q182 N453 R454 S455 T476	Q182-T478 PolarHBondContact OE1-OG1 2.86Å; Q182-T478 VanDerWaalsContact OE1-OG1 3.05Å; N453-T478 CarbonylContact C-O 3.58Å; N453-T478 VanDerWaalsContact O-O 3.08Å; R454-T478 CarbonylContact C-O 3.57Å; R454-T478 WeakPolarHBondContact CA-O 3.42Å; R454-T478 PolarHBondContact N-O 3.24Å; R454-T478 VanDerWaalsContact N-O 3.1Å; S455-T478 PolarHBondContact N-O 3.28Å; S455-T478 VanDerWaalsContact N-O 3.1Å; T476-T478 PolarHBondContact O-N 3.48Å; T476-T478 PolarHBondContact OG1-OG1 2.98Å
479	G	87.1	Confident	89.2	Confident	6 Å²	6	36.3 Å²	36.3	6%	0.062	21%	0.212	C	C	.	.	S	Bend	trans	162.8	-131.2	-178.6	0	0	0	0	0	113.6	I452 R454 T476	I452-G479 WeakPolarHBondContact O-CA 3.29Å; R454-G479 WeakPolarHBondContact O-CA 3.43Å; T476-G479 PolarHBondContact N-O 3.49Å; T476-G479 PolarHBondContact O-N 2.86Å; T476-G479 PolarHBondContact OG1-N 2.89Å; T476-G479 VanDerWaalsContact OG1-N 3.09Å; T476-G479 PolarHBondContact OG1-O 3.13Å
480	R	91.4	Very high	88.8	Confident	22 Å²	22	29 Å²	29	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.4	-178.2	-176.8	179	-78.3	142	-2.5	111.2	F451 I452 W468 G472 S474	F451-R480 CarbonylContact C-O 3.59Å; F451-R480 VanDerWaalsContact CA-O 3.31Å; F451-R480 WeakPolarHBondContact CA-O 3.02Å; F451-R480 WeakPolarHBondContact CD2-O 3.38Å; I452-R480 PolarHBondContact N-O 2.74Å; I452-R480 PolarHBondContact O-N 3.34Å; W468-R480 VanDerWaalsContact CZ2-NH1 3.32Å; G472-R480 WeakPolarHBondContact O-CD 3.15Å; S474-R480 CarbonylContact O-C 3.3Å; S474-R480 WeakPolarHBondContact O-CA 3.42Å
481	L	93.5	Very high	88	Confident	20 Å²	20	24.5 Å²	24.5	11%	0.105	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.1	171.9	-55	178.8	0	0	0	110.4	Q175 F451 G473 S474 T476 V649	Q175-L481 HydrophobicContact CG-CD2 4.13Å; F451-L481 HydrophobicContact CD2-CD2 3.72Å; F451-L481 HydrophobicContact CE2-CD2 3.71Å; G473-L481 CarbonylContact C-O 3.59Å; G473-L481 WeakPolarHBondContact CA-O 3.22Å; S474-L481 PolarHBondContact N-O 3.47Å; S474-L481 PolarHBondContact O-N 3.12Å; T476-L481 HydrophobicContact CG2-CD1 3.91Å; T476-L481 HydrophobicContact CG2-CG 3.89Å; L481-V649 HydrophobicContact CD1-CG1 4.5Å
482	Q	95.4	Very high	86.7	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.047	16%	0.162	C	C	.	.			trans	-71.2	123.9	163.7	-174.1	172.7	-17.3	0	0	108.5	Q175 V326 G484	Q175-Q482 PolarHBondContact NE2-O 3.44Å; V326-Q482 PolarHBondContact O-NE2 3.34Å; Q482-G484 VanDerWaalsContact CG-O 3.28Å; Q482-G484 WeakPolarHBondContact CG-O 3.15Å; Q482-G484 PolarHBondContact NE2-O 3.44Å
483	T	93.8	Very high	85.5	Confident	7 Å²	7	24.9 Å²	24.9	4%	0.043	16%	0.161	C	C	.	.			trans	-109.4	-2.1	-177.4	56.2	0	0	0	0	113	F372 G373 S374 T448 G473 S474 P648 V649	F372-T483 CarbonylContact O-C 3.05Å; F372-T483 VanDerWaalsContact O-O 3.06Å; G373-T483 CarbonylContact C-O 3.58Å; G373-T483 WeakPolarHBondContact CA-O 3.45Å; S374-T483 CarbonylContact C-O 2.97Å; S374-T483 WeakPolarHBondContact CA-O 3.24Å; S374-T483 PolarHBondContact N-O 2.8Å; S374-T483 CarbonylContact O-C 3.07Å; T448-T483 PolarHBondContact O-N 3.31Å; T448-T483 VanDerWaalsContact O-N 3.16Å; G473-T483 WeakPolarHBondContact CA-OG1 3.25Å; S474-T483 VanDerWaalsContact N-CG2 3.35Å; T483-P648 WeakPolarHBondContact CB-O 3.35Å; T483-P648 HydrophobicContact CG2-CB 4.47Å; T483-P648 HydrophobicContact CG2-CG 4.44Å; T483-V649 HydrophobicContact CG2-CG2 4.37Å
484	G	94.8	Very high	84.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.158	C	C	.	.			trans	-150.6	175.2	178.2	0	0	0	0	0	112.2	F372 P375 T448 Q482	F372-G484 WeakPolarHBondContact O-CA 3.17Å; F372-G484 PolarHBondContact O-N 2.73Å; P375-G484 CarbonylContact O-C 3.2Å; P375-G484 VanDerWaalsContact O-CA 3.22Å; P375-G484 WeakPolarHBondContact O-CA 3.37Å; T448-G484 WeakPolarHBondContact CB-O 3.48Å; Q482-G484 VanDerWaalsContact CG-O 3.28Å; Q482-G484 WeakPolarHBondContact CG-O 3.15Å; Q482-G484 PolarHBondContact NE2-O 3.44Å
485	V	97.1	Very high	84.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.9	-175.2	69.1	0	0	0	0	112.6	V328 M368 F372 P375 I377	V328-V485 HydrophobicContact CB-CG2 4.32Å; V328-V485 HydrophobicContact CG2-CG2 3.85Å; M368-V485 HydrophobicContact CE-CG1 3.69Å; F372-V485 HydrophobicContact CB-CB 3.79Å; F372-V485 HydrophobicContact CB-CG1 3.54Å; F372-V485 HydrophobicContact CD1-CB 4.25Å; F372-V485 HydrophobicContact CD1-CG1 4.47Å; F372-V485 HydrophobicContact CD1-CG2 4.27Å; F372-V485 HydrophobicContact CD2-CB 4.43Å; F372-V485 HydrophobicContact CD2-CG1 3.8Å; F372-V485 HydrophobicContact CG-CB 3.91Å; F372-V485 HydrophobicContact CG-CG1 3.69Å; F372-V485 HydrophobicContact CG-CG2 4.28Å; P375-V485 PolarHBondContact O-N 3.1Å; P375-V485 VanDerWaalsContact O-N 3.09Å; I377-V485 PolarHBondContact N-O 3.47Å
486	L	97.6	Very high	84	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.9	165.5	-179.6	70.7	0	0	0	109.7	V328 I377 L379 V444 T488 V504	V328-L486 PolarHBondContact N-O 3.16Å; I377-L486 HydrophobicContact CB-CD1 4.2Å; I377-L486 HydrophobicContact CG2-CD1 4.01Å; I377-L486 WeakPolarHBondContact O-CD1 3.26Å; L379-L486 HydrophobicContact CB-CD1 3.84Å; V444-L486 HydrophobicContact CG1-CB 3.72Å; V444-L486 HydrophobicContact CG1-CD1 4.12Å; V444-L486 HydrophobicContact CG1-CD2 4.21Å; V444-L486 HydrophobicContact CG1-CG 4.22Å; V444-L486 HydrophobicContact CG2-CD1 3.93Å; L486-T488 HydrophobicContact CD2-CG2 3.94Å; L486-T488 HydrophobicContact CG-CG2 4.15Å; L486-V504 HydrophobicContact CD2-CB 4.29Å; L486-V504 HydrophobicContact CD2-CG1 4.17Å; L486-V504 HydrophobicContact CD2-CG2 3.73Å
487	R	96.4	Very high	84.2	Confident	1 Å²	1	17 Å²	17	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	167.3	-178.6	177.6	170.5	-168.5	10	110.8	V328 S331 H364 F365 M368 I377 I378 L379 N489	V328-R487 CarbonylContact O-C 3.54Å; V328-R487 VanDerWaalsContact O-CA 3.3Å; V328-R487 WeakPolarHBondContact O-CA 3.4Å; S331-R487 PolarHBondContact O-NH2 3.22Å; H364-R487 PolarHBondContact CD2-NH1 2.8Å; H364-R487 PolarHBondContact NE2-NH1 3.29Å; H364-R487 PolarHBondContact NE2-NH2 3.48Å; F365-R487 VanDerWaalsContact CZ-NH1 3.33Å; M368-R487 HydrophobicContact CE-CB 3.92Å; M368-R487 HydrophobicContact CE-CG 4.33Å; I377-R487 PolarHBondContact O-N 2.94Å; I378-R487 CarbonylContact C-O 3.58Å; I378-R487 WeakPolarHBondContact CA-O 3.35Å; L379-R487 PolarHBondContact N-O 3.05Å; R487-N489 PolarHBondContact NE-OD1 2.82Å
488	T	94.2	Very high	84.7	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.1	174	60.1	0	0	0	0	111.3	V328 R329 G330 L379 L486 Q501	V328-T488 PolarHBondContact O-N 2.96Å; R329-T488 WeakPolarHBondContact CA-O 3.11Å; R329-T488 VanDerWaalsContact CB-OG1 3.22Å; R329-T488 WeakPolarHBondContact CB-OG1 3.46Å; G330-T488 PolarHBondContact N-O 2.82Å; L379-T488 HydrophobicContact CB-CG2 4.3Å; L379-T488 HydrophobicContact CD2-CG2 4.26Å; L379-T488 WeakPolarHBondContact O-CA 3.42Å; L486-T488 HydrophobicContact CD2-CG2 3.94Å; L486-T488 HydrophobicContact CG-CG2 4.15Å; T488-Q501 HydrophobicContact CG2-CG 4.42Å
489	N	88.5	Confident	85.3	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.3	177.4	-68.6	-12.4	0	0	0	110.2	V332 I378 L379 L381 R487	V332-N489 HydrophobicContact CG2-CB 4.2Å; I378-N489 WeakPolarHBondContact CG2-ND2 3.45Å; L379-N489 PolarHBondContact O-N 2.65Å; L381-N489 PolarHBondContact N-O 3.41Å; R487-N489 PolarHBondContact NE-OD1 2.82Å
490	C	73.4	Confident	85.5	Confident	15 Å²	15	8.3 Å²	8.3	10%	0.101	5%	0.045	C	C	.	.			trans	-152.5	139.5	168.8	-176.9	0	0	0	0	111.1	D492 C493 T497	C490-D492 PolarHBondContact SG-N 3.11Å; C490-C493 PolarHBondContact SG-N 3.12Å; C490-T497 HydrophobicContact CB-CG2 3.27Å
491	V	68	Low	85.6	Confident	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.041	C	C	.	.	S	Bend	trans	-72.8	-51.4	175.3	176	0	0	0	0	110.2	R291 W336 I349 V382 E391 L394	R291-V491 PolarHBondContact NH1-O 3.43Å; R291-V491 PolarHBondContact NH2-O 3.41Å; W336-V491 HydrophobicContact CH2-CG1 3.94Å; W336-V491 HydrophobicContact CH2-CG2 4.35Å; W336-V491 HydrophobicContact CZ3-CG1 4.36Å; I349-V491 HydrophobicContact CD1-CG1 3.85Å; V382-V491 HydrophobicContact CG2-CG2 3.8Å; E391-V491 HydrophobicContact CG-CB 4.16Å; E391-V491 HydrophobicContact CG-CG1 4.29Å; E391-V491 HydrophobicContact CG-CG2 4.41Å; L394-V491 HydrophobicContact CD1-CG2 3.31Å
492	D	60.8	Low	85.7	Confident	11 Å²	11	6.3 Å²	6.3	6%	0.059	4%	0.036	C	C	.	.	S	Bend	trans	-121	-21.2	-163.9	-88.3	-32.3	0	0	0	117.8	R287 R291 C490	R287-D492 IonicContact CZ-OD1 3.12Å; R287-D492 IonicContact NE-OD1 3.34Å; R287-D492 PolarHBondContact NH1-O 3.25Å; R287-D492 VanDerWaalsContact NH1-O 3.09Å; R287-D492 VanDerWaalsContact NH2-CB 3.25Å; R287-D492 VanDerWaalsContact NH2-CG 3.25Å; R287-D492 PolarHBondContact NH2-O 2.79Å; R287-D492 IonicContact NH2-OD1 3.86Å; R287-D492 PolarHBondContact NH2-OD1 3.15Å; R291-D492 IonicContact NH2-OD1 2.75Å; R291-D492 PolarHBondContact NH2-OD1 3Å; R291-D492 VanDerWaalsContact NH2-OD1 3.16Å; C490-D492 PolarHBondContact SG-N 3.11Å
493	C	61.7	Low	85.6	Confident	31 Å²	31	6 Å²	6	21%	0.209	4%	0.035	C	C	.	.			trans	-122.6	97.3	-164.9	-46.1	0	0	0	0	110.1	C490 D495 R496 T497	C490-C493 PolarHBondContact SG-N 3.12Å; C493-D495 HydrophobicContact CB-CB 4.38Å; C493-D495 PolarHBondContact O-N 2.88Å; C493-D495 VanDerWaalsContact O-N 3.12Å; C493-R496 HydrophobicContact CB-CB 4.05Å; C493-R496 HydrophobicContact CB-CG 3.79Å; C493-R496 PolarHBondContact O-N 2.89Å; C493-R496 PolarHBondContact SG-NE 3.25Å; C493-R496 VanDerWaalsContact SG-NE 3.38Å; C493-R496 PolarHBondContact SG-NH2 3.26Å; C493-R496 VanDerWaalsContact SG-NH2 3.42Å; C493-T497 PolarHBondContact O-N 3.03Å
494	L	70.5	Confident	85.7	Confident	32 Å²	32	5.6 Å²	5.6	17%	0.168	3%	0.033	C	C	.	.	H	α-helix	trans	-51.3	-29.6	161.1	-165.1	68.3	0	0	0	110.9	R496 T497 N498 G542 L545 L554	L494-R496 PolarHBondContact O-N 2.96Å; L494-T497 WeakPolarHBondContact CA-OG1 3.31Å; L494-T497 PolarHBondContact O-N 2.93Å; L494-T497 PolarHBondContact O-OG1 2.98Å; L494-T497 VanDerWaalsContact O-OG1 3.11Å; L494-N498 WeakPolarHBondContact O-CB 2.92Å; L494-N498 PolarHBondContact O-N 3.4Å; L494-G542 WeakPolarHBondContact CD2-O 3.26Å; L494-L545 HydrophobicContact CD2-CB 3.9Å; L494-L554 HydrophobicContact CB-CD2 3.83Å; L494-L554 HydrophobicContact CD2-CD2 3.83Å; L494-L554 HydrophobicContact CG-CD2 3.87Å
495	D	76.3	Confident	85.8	Confident	5 Å²	5	5.6 Å²	5.6	3%	0.027	3%	0.033	C	C	.	.	H	α-helix	trans	-58.1	-42.7	175	-43.6	-65.4	0	0	0	113	C493 T499 L554 V555 H556 R580	C493-D495 HydrophobicContact CB-CB 4.38Å; C493-D495 PolarHBondContact O-N 2.88Å; C493-D495 VanDerWaalsContact O-N 3.12Å; D495-T499 WeakPolarHBondContact O-CB 3.34Å; D495-T499 PolarHBondContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.93Å; D495-L554 WeakPolarHBondContact OD1-CB 3.46Å; D495-L554 VanDerWaalsContact OD1-CD2 3.32Å; D495-L554 WeakPolarHBondContact OD1-CD2 3.5Å; D495-V555 PolarHBondContact OD1-N 3.4Å; D495-H556 HydrophobicContact CB-CB 3.9Å; D495-H556 WeakPolarHBondContact CB-O 3.46Å; D495-H556 PolarHBondContact OD1-N 3.29Å; D495-R580 IonicContact OD2-NH1 2.66Å
496	R	83.6	Confident	85.7	Confident	7 Å²	7	6.4 Å²	6.4	3%	0.026	4%	0.036	C	C	.	.	H	α-helix	trans	-71.5	-45.5	-179.7	-72.7	-173.4	-80.3	176.9	-7.7	110.7	L381 E391 M422 C493 L494 T499 A500	L381-R496 HydrophobicContact CD1-CB 4.09Å; L381-R496 PolarHBondContact O-NH1 3.38Å; E391-R496 IonicContact OE1-NH2 3.78Å; E391-R496 PolarHBondContact OE1-NH2 3.09Å; E391-R496 IonicContact OE2-CZ 3.42Å; E391-R496 IonicContact OE2-NH1 2.72Å; E391-R496 PolarHBondContact OE2-NH1 2.71Å; E391-R496 IonicContact OE2-NH2 3.12Å; E391-R496 PolarHBondContact OE2-NH2 2.78Å; M422-R496 HydrophobicContact SD-CB 3.75Å; M422-R496 HydrophobicContact SD-CG 3.72Å; C493-R496 HydrophobicContact CB-CB 4.05Å; C493-R496 HydrophobicContact CB-CG 3.79Å; C493-R496 PolarHBondContact O-N 2.89Å; C493-R496 PolarHBondContact SG-NE 3.25Å; C493-R496 VanDerWaalsContact SG-NE 3.38Å; C493-R496 PolarHBondContact SG-NH2 3.26Å; C493-R496 VanDerWaalsContact SG-NH2 3.42Å; L494-R496 PolarHBondContact O-N 2.96Å; R496-T499 PolarHBondContact O-N 2.96Å; R496-A500 PolarHBondContact O-N 3.05Å
497	T	87.5	Confident	85.6	Confident	7 Å²	7	7.3 Å²	7.3	4%	0.043	4%	0.042	C	C	.	.	H	α-helix	trans	-69.3	-41.9	-179	51.9	0	0	0	0	111.6	L381 C490 C493 L494 T499 A500 Q501	L381-T497 HydrophobicContact CD1-CG2 4.33Å; C490-T497 HydrophobicContact CB-CG2 3.27Å; C493-T497 PolarHBondContact O-N 3.03Å; L494-T497 WeakPolarHBondContact CA-OG1 3.31Å; L494-T497 PolarHBondContact O-N 2.93Å; L494-T497 PolarHBondContact O-OG1 2.98Å; L494-T497 VanDerWaalsContact O-OG1 3.11Å; T497-T499 VanDerWaalsContact C-N 3.32Å; T497-T499 PolarHBondContact O-N 2.71Å; T497-A500 PolarHBondContact O-N 2.74Å; T497-Q501 WeakPolarHBondContact O-CB 3.36Å; T497-Q501 WeakPolarHBondContact O-CG 3.4Å; T497-Q501 PolarHBondContact O-N 3.24Å
498	N	90.8	Very high	85.6	Confident	3 Å²	3	7.3 Å²	7.3	2%	0.016	4%	0.042	C	C	.	.	H	α-helix	trans	-61.8	-40.9	176.7	-165.2	61.4	0	0	0	111.4	L494 Q501 F502 Y538 H541 L554	L494-N498 WeakPolarHBondContact O-CB 2.92Å; L494-N498 PolarHBondContact O-N 3.4Å; N498-Q501 PolarHBondContact O-N 3.37Å; N498-F502 VanDerWaalsContact O-CB 3.31Å; N498-F502 WeakPolarHBondContact O-CB 3.31Å; N498-F502 PolarHBondContact O-N 3.2Å; N498-Y538 PolarHBondContact ND2-O 3.32Å; N498-Y538 PolarHBondContact OD1-O 3.43Å; N498-H541 PolarHBondContact OD1-CE1 3.02Å; N498-H541 PolarHBondContact OD1-ND1 3.16Å; N498-L554 HydrophobicContact CB-CD1 4.4Å
499	T	89.1	Confident	85.7	Confident	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-41.2	175.8	-56.8	0	0	0	0	112	M422 D495 R496 T497 F502 M503 Y561	M422-T499 HydrophobicContact CE-CG2 3.68Å; D495-T499 WeakPolarHBondContact O-CB 3.34Å; D495-T499 PolarHBondContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.93Å; R496-T499 PolarHBondContact O-N 2.96Å; T497-T499 VanDerWaalsContact C-N 3.32Å; T497-T499 PolarHBondContact O-N 2.71Å; T499-F502 PolarHBondContact O-N 2.94Å; T499-M503 WeakPolarHBondContact O-CG 3.33Å; T499-M503 PolarHBondContact O-N 3.3Å; T499-Y561 HydrophobicContact CG2-CD2 3.92Å; T499-Y561 HydrophobicContact CG2-CE2 4.48Å; T499-Y561 HydrophobicContact CG2-CG 4.25Å; T499-Y561 VanDerWaalsContact OG1-CD2 3.31Å; T499-Y561 WeakPolarHBondContact OG1-CD2 3.38Å; T499-Y561 WeakPolarHBondContact OG1-CE2 3.36Å
500	A	91.6	Very high	86	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.9	-46.2	175.8	0	0	0	0	0	111.7	L379 L381 L437 R496 T497 F502 M503 V504	L379-A500 HydrophobicContact CD2-CB 4.17Å; L381-A500 HydrophobicContact CD1-CB 3.86Å; L437-A500 HydrophobicContact CD2-CB 4.15Å; R496-A500 PolarHBondContact O-N 3.05Å; T497-A500 PolarHBondContact O-N 2.74Å; A500-F502 PolarHBondContact O-N 2.92Å; A500-M503 PolarHBondContact O-N 3.02Å; A500-V504 VanDerWaalsContact O-CG2 3.3Å; A500-V504 WeakPolarHBondContact O-CG2 3.48Å; A500-V504 PolarHBondContact O-N 2.99Å; A500-V504 VanDerWaalsContact O-N 3.07Å
501	Q	93.9	Very high	87	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.7	-44.7	174.9	-72.4	-177.4	-56.7	0	0	111.2	T305 Q327 T488 T497 N498 M503 V504 G505 Y538	T305-Q501 PolarHBondContact OG1-NE2 3.36Å; Q327-Q501 PolarHBondContact OE1-O 3.4Å; T488-Q501 HydrophobicContact CG2-CG 4.42Å; T497-Q501 WeakPolarHBondContact O-CB 3.36Å; T497-Q501 WeakPolarHBondContact O-CG 3.4Å; T497-Q501 PolarHBondContact O-N 3.24Å; N498-Q501 PolarHBondContact O-N 3.37Å; Q501-M503 PolarHBondContact O-N 3.41Å; Q501-V504 PolarHBondContact O-N 3.43Å; Q501-G505 PolarHBondContact O-N 3.43Å; Q501-Y538 HydrophobicContact CB-CE1 4.27Å
502	F	94.8	Very high	88.3	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.9	-45.8	175	167.9	-100.4	0	0	0	112.2	N498 T499 A500 V504 G505 K506 F526 V531 F534 E535 Y538 V558	N498-F502 VanDerWaalsContact O-CB 3.31Å; N498-F502 WeakPolarHBondContact O-CB 3.31Å; N498-F502 PolarHBondContact O-N 3.2Å; T499-F502 PolarHBondContact O-N 2.94Å; A500-F502 PolarHBondContact O-N 2.92Å; F502-V504 VanDerWaalsContact C-N 3.33Å; F502-V504 PolarHBondContact O-N 3.23Å; F502-G505 PolarHBondContact O-N 3.5Å; F502-K506 HydrophobicContact CZ-CD 4.48Å; F502-K506 VanDerWaalsContact O-CB 3.32Å; F502-K506 WeakPolarHBondContact O-CB 3.27Å; F502-K506 PolarHBondContact O-N 3.48Å; F502-F526 HydrophobicContact CE1-CE1 4.49Å; F502-V531 HydrophobicContact CZ-CG1 4.3Å; F502-F534 AromaticContact CD2-CD1 3.91Å; F502-F534 HydrophobicContact CD2-CD1 3.91Å; F502-F534 AromaticContact CD2-CE1 3.84Å; F502-F534 HydrophobicContact CD2-CE1 3.84Å; F502-F534 AromaticContact CE2-CD1 3.49Å; F502-F534 HydrophobicContact CE2-CD1 3.49Å; F502-F534 VanDerWaalsContact CE2-CD1 3.49Å; F502-F534 AromaticContact CE2-CE1 3.88Å; F502-F534 HydrophobicContact CE2-CE1 3.88Å; F502-F534 HydrophobicContact CZ-CD1 4.45Å; F502-E535 HydrophobicContact CE2-CB 3.85Å; F502-E535 HydrophobicContact CE2-CG 4.35Å; F502-E535 HydrophobicContact CZ-CB 3.98Å; F502-E535 HydrophobicContact CZ-CG 4.25Å; F502-Y538 HydrophobicContact CB-CD1 3.68Å; F502-Y538 HydrophobicContact CB-CE1 4.22Å; F502-Y538 HydrophobicContact CB-CG 4.04Å; F502-Y538 HydrophobicContact CD2-CD1 4.27Å; F502-Y538 HydrophobicContact CD2-CD2 4.08Å; F502-Y538 AromaticContact CD2-CG 3.77Å; F502-Y538 HydrophobicContact CD2-CG 3.77Å; F502-Y538 HydrophobicContact CG-CD1 4.5Å; F502-Y538 HydrophobicContact CG-CG 4.4Å; F502-V558 HydrophobicContact CB-CG2 4.3Å; F502-V558 HydrophobicContact CD1-CG1 3.79Å; F502-V558 HydrophobicContact CD1-CG2 3.92Å; F502-V558 HydrophobicContact CE1-CG1 3.61Å; F502-V558 HydrophobicContact CE1-CG2 4.45Å; F502-V558 HydrophobicContact CG-CG2 4.04Å; F502-V558 HydrophobicContact CZ-CG1 4.32Å
503	M	93.9	Very high	89.9	Confident	3 Å²	3	6.2 Å²	6.2	2%	0.015	4%	0.036	C	C	.	.	H	α-helix	trans	-64.4	-38.9	-179.1	-78.8	-57.3	-52.7	0	0	112.5	L434 L437 T499 A500 Q501 C507 F526	L434-M503 HydrophobicContact CD2-CG 4.06Å; L434-M503 HydrophobicContact CD2-SD 3.83Å; L437-M503 HydrophobicContact CB-CB 4Å; L437-M503 HydrophobicContact CB-CG 4.02Å; L437-M503 HydrophobicContact CD1-CB 4.29Å; L437-M503 HydrophobicContact CD1-CG 3.89Å; T499-M503 WeakPolarHBondContact O-CG 3.33Å; T499-M503 PolarHBondContact O-N 3.3Å; A500-M503 PolarHBondContact O-N 3.02Å; Q501-M503 PolarHBondContact O-N 3.41Å; M503-C507 PolarHBondContact O-N 3.1Å; M503-F526 HydrophobicContact CE-CZ 3.85Å; M503-F526 HydrophobicContact SD-CE1 4.15Å; M503-F526 HydrophobicContact SD-CZ 3.76Å
504	V	95.7	Very high	91.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-73.7	-41.5	176.6	-175.1	0	0	0	0	111	Y325 Q327 A441 V444 V445 L486 A500 Q501 F502 K506 C507 A508	Y325-V504 HydrophobicContact CE1-CG1 3.99Å; Y325-V504 VanDerWaalsContact OH-CG1 3.3Å; Y325-V504 WeakPolarHBondContact OH-CG1 3.29Å; Q327-V504 VanDerWaalsContact NE2-CB 3.25Å; A441-V504 HydrophobicContact CB-CB 4.13Å; A441-V504 HydrophobicContact CB-CG1 4.34Å; A441-V504 HydrophobicContact CB-CG2 3.76Å; V444-V504 HydrophobicContact CG1-CG1 4.18Å; V445-V504 HydrophobicContact CG2-CG1 4.01Å; L486-V504 HydrophobicContact CD2-CB 4.29Å; L486-V504 HydrophobicContact CD2-CG1 4.17Å; L486-V504 HydrophobicContact CD2-CG2 3.73Å; A500-V504 VanDerWaalsContact O-CG2 3.3Å; A500-V504 WeakPolarHBondContact O-CG2 3.48Å; A500-V504 PolarHBondContact O-N 2.99Å; A500-V504 VanDerWaalsContact O-N 3.07Å; Q501-V504 PolarHBondContact O-N 3.43Å; F502-V504 VanDerWaalsContact C-N 3.33Å; F502-V504 PolarHBondContact O-N 3.23Å; V504-K506 VanDerWaalsContact C-N 3.34Å; V504-K506 PolarHBondContact O-N 3.1Å; V504-C507 VanDerWaalsContact O-CB 3.31Å; V504-C507 WeakPolarHBondContact O-CB 3.4Å; V504-C507 PolarHBondContact O-N 3.48Å; V504-C507 VanDerWaalsContact O-N 3.11Å; V504-A508 PolarHBondContact O-N 3.05Å
505	G	96.4	Very high	92.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.8	0	0	0	0	0	112.9	Q307 Q501 F502 C507 A508 L509	Q307-G505 PolarHBondContact NE2-O 2.71Å; Q307-G505 PolarHBondContact OE1-O 3.23Å; Q501-G505 PolarHBondContact O-N 3.43Å; F502-G505 PolarHBondContact O-N 3.5Å; G505-C507 VanDerWaalsContact C-N 3.33Å; G505-C507 PolarHBondContact O-N 3.43Å; G505-A508 PolarHBondContact O-N 3.5Å; G505-L509 VanDerWaalsContact O-CB 3.26Å; G505-L509 WeakPolarHBondContact O-CB 3.33Å; G505-L509 PolarHBondContact O-N 3.39Å
506	K	95.4	Very high	93	Very high	16 Å²	16	3.5 Å²	3.5	7%	0.07	2%	0.02	C	C	.	.	H	α-helix	trans	-62.6	-40	173.2	176.2	179.9	174.4	-105.4	0	111.7	F502 V504 A510 L524 F526 V531 F534	F502-K506 HydrophobicContact CZ-CD 4.48Å; F502-K506 VanDerWaalsContact O-CB 3.32Å; F502-K506 WeakPolarHBondContact O-CB 3.27Å; F502-K506 PolarHBondContact O-N 3.48Å; V504-K506 VanDerWaalsContact C-N 3.34Å; V504-K506 PolarHBondContact O-N 3.1Å; K506-A510 PolarHBondContact O-N 2.94Å; K506-L524 WeakPolarHBondContact CE-O 3.22Å; K506-L524 PolarHBondContact NZ-O 3.01Å; K506-F526 HydrophobicContact CD-CD1 4.35Å; K506-F526 HydrophobicContact CD-CE1 3.8Å; K506-F526 HydrophobicContact CD-CZ 4.08Å; K506-V531 HydrophobicContact CD-CG1 4.13Å; K506-V531 HydrophobicContact CD-CG2 4.39Å; K506-F534 HydrophobicContact CB-CD1 4.46Å; K506-F534 HydrophobicContact CB-CE1 4.08Å
507	C	95.6	Very high	93.2	Very high	20 Å²	20	4.8 Å²	4.8	14%	0.135	4%	0.036	C	C	.	.	H	α-helix	trans	-64	-51.9	174.7	-169.3	0	0	0	0	110	A441 V445 M503 V504 G505 L509 A510 Y511	A441-C507 HydrophobicContact CB-CB 3.8Å; V445-C507 HydrophobicContact CG2-CB 4.34Å; M503-C507 PolarHBondContact O-N 3.1Å; V504-C507 VanDerWaalsContact O-CB 3.31Å; V504-C507 WeakPolarHBondContact O-CB 3.4Å; V504-C507 PolarHBondContact O-N 3.48Å; V504-C507 VanDerWaalsContact O-N 3.11Å; G505-C507 VanDerWaalsContact C-N 3.33Å; G505-C507 PolarHBondContact O-N 3.43Å; C507-L509 VanDerWaalsContact C-N 3.3Å; C507-L509 PolarHBondContact O-N 3.38Å; C507-A510 WeakPolarHBondContact O-CB 3.49Å; C507-A510 PolarHBondContact O-N 3.38Å; C507-A510 VanDerWaalsContact O-N 3.08Å; C507-Y511 VanDerWaalsContact O-CD2 3.29Å; C507-Y511 WeakPolarHBondContact O-CD2 3.46Å; C507-Y511 PolarHBondContact O-N 2.84Å
508	A	96.3	Very high	93.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58	-40.4	177	0	0	0	0	0	112.3	Y325 V445 V504 G505 A510 Y511 Q512	Y325-A508 HydrophobicContact CD1-CB 3.4Å; Y325-A508 HydrophobicContact CD2-CB 4.22Å; Y325-A508 HydrophobicContact CE1-CB 3.76Å; Y325-A508 HydrophobicContact CG-CB 3.65Å; V445-A508 HydrophobicContact CG2-CB 4.04Å; V504-A508 PolarHBondContact O-N 3.05Å; G505-A508 PolarHBondContact O-N 3.5Å; A508-A510 VanDerWaalsContact C-N 3.28Å; A508-A510 PolarHBondContact O-N 2.8Å; A508-Y511 CarbonylContact O-C 3.59Å; A508-Y511 PolarHBondContact O-N 2.97Å; A508-Y511 VanDerWaalsContact O-N 3.11Å; A508-Q512 WeakPolarHBondContact O-CB 3.31Å; A508-Q512 WeakPolarHBondContact O-CG 3.33Å; A508-Q512 PolarHBondContact O-N 2.82Å
509	L	96.7	Very high	93.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.2	-40.5	176.2	-177.6	59.6	0	0	0	111.5	I273 V309 G505 C507 Q512 L513 L524 F534	I273-L509 HydrophobicContact CD1-CD1 4.12Å; I273-L509 HydrophobicContact CD1-CD2 4.35Å; I273-L509 HydrophobicContact CG1-CD1 4.47Å; V309-L509 HydrophobicContact CG2-CD1 3.6Å; G505-L509 VanDerWaalsContact O-CB 3.26Å; G505-L509 WeakPolarHBondContact O-CB 3.33Å; G505-L509 PolarHBondContact O-N 3.39Å; C507-L509 VanDerWaalsContact C-N 3.3Å; C507-L509 PolarHBondContact O-N 3.38Å; L509-Q512 PolarHBondContact O-N 3.49Å; L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CG 4.06Å; L509-L513 HydrophobicContact CG-CD1 4.04Å; L509-L513 HydrophobicContact CG-CG 4.37Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 VanDerWaalsContact O-CG 3.28Å; L509-L513 WeakPolarHBondContact O-CG 3.31Å; L509-L513 PolarHBondContact O-N 3.18Å; L509-L524 HydrophobicContact CB-CD1 4.1Å; L509-L524 HydrophobicContact CD2-CD1 3.93Å; L509-L524 HydrophobicContact CG-CD1 3.81Å; L509-F534 HydrophobicContact CD2-CB 4.17Å; L509-F534 HydrophobicContact CD2-CD1 4.11Å; L509-F534 HydrophobicContact CD2-CD2 3.78Å; L509-F534 HydrophobicContact CD2-CE1 4.49Å; L509-F534 HydrophobicContact CD2-CE2 4.13Å; L509-F534 HydrophobicContact CD2-CG 3.76Å; L509-F534 HydrophobicContact CD2-CZ 4.47Å
510	A	95	Very high	93.2	Very high	3 Å²	3	11.4 Å²	11.4	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-44.4	177	0	0	0	0	0	111.2	K506 C507 A508 Y514 I519 L524	K506-A510 PolarHBondContact O-N 2.94Å; C507-A510 WeakPolarHBondContact O-CB 3.49Å; C507-A510 PolarHBondContact O-N 3.38Å; C507-A510 VanDerWaalsContact O-N 3.08Å; A508-A510 VanDerWaalsContact C-N 3.28Å; A508-A510 PolarHBondContact O-N 2.8Å; A510-Y514 WeakPolarHBondContact O-CB 3.48Å; A510-Y514 PolarHBondContact O-N 2.91Å; A510-I519 WeakPolarHBondContact O-CD1 3.47Å; A510-L524 HydrophobicContact CB-CB 4.3Å; A510-L524 HydrophobicContact CB-CD1 3.88Å; A510-L524 HydrophobicContact CB-CG 3.68Å
511	Y	94.5	Very high	93	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-68.6	-38.9	176.4	-74.2	-84.8	0	0	0	112.6	V445 R467 W468 I471 C507 A508 Y514 A515 P522	V445-Y511 HydrophobicContact CG1-CD2 3.83Å; V445-Y511 HydrophobicContact CG1-CE2 4.26Å; V445-Y511 HydrophobicContact CG1-CG 4.34Å; R467-Y511 HydrophobicContact CB-CE1 4.26Å; W468-Y511 HydrophobicContact CE3-CD1 4.08Å; W468-Y511 HydrophobicContact CZ3-CD1 4.36Å; I471-Y511 HydrophobicContact CD1-CD1 3.82Å; I471-Y511 HydrophobicContact CD1-CE1 4.39Å; I471-Y511 HydrophobicContact CD1-CG 4.14Å; C507-Y511 VanDerWaalsContact O-CD2 3.29Å; C507-Y511 WeakPolarHBondContact O-CD2 3.46Å; C507-Y511 PolarHBondContact O-N 2.84Å; A508-Y511 CarbonylContact O-C 3.59Å; A508-Y511 PolarHBondContact O-N 2.97Å; A508-Y511 VanDerWaalsContact O-N 3.11Å; Y511-Y514 PolarHBondContact O-N 3.42Å; Y511-A515 VanDerWaalsContact O-CB 3.29Å; Y511-A515 WeakPolarHBondContact O-CB 3.3Å; Y511-A515 PolarHBondContact O-N 2.76Å; Y511-P522 HydrophobicContact CD1-CB 3.65Å; Y511-P522 HydrophobicContact CD1-CG 4.29Å; Y511-P522 HydrophobicContact CE1-CB 3.78Å; Y511-P522 HydrophobicContact CE1-CG 4Å; Y511-P522 HydrophobicContact CG-CB 4.05Å
512	Q	95.1	Very high	92.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-48.8	175.4	-74.7	173.9	-35.2	0	0	111.5	Q307 V309 F450 A508 L509 Y514 A515 L516	Q307-Q512 PolarHBondContact O-NE2 3.31Å; V309-Q512 HydrophobicContact CB-CB 4.45Å; V309-Q512 HydrophobicContact CG2-CB 4.42Å; V309-Q512 VanDerWaalsContact CG2-OE1 3.23Å; F450-Q512 HydrophobicContact CD2-CG 3.6Å; F450-Q512 HydrophobicContact CE2-CB 4.19Å; F450-Q512 HydrophobicContact CE2-CG 3.52Å; F450-Q512 HydrophobicContact CG-CG 4.23Å; F450-Q512 HydrophobicContact CZ-CG 4.13Å; A508-Q512 WeakPolarHBondContact O-CB 3.31Å; A508-Q512 WeakPolarHBondContact O-CG 3.33Å; A508-Q512 PolarHBondContact O-N 2.82Å; L509-Q512 PolarHBondContact O-N 3.49Å; Q512-Y514 VanDerWaalsContact C-N 3.31Å; Q512-Y514 PolarHBondContact O-N 2.85Å; Q512-A515 WeakPolarHBondContact O-CB 3.49Å; Q512-A515 PolarHBondContact O-N 3.13Å; Q512-L516 VanDerWaalsContact O-CG 3.26Å; Q512-L516 WeakPolarHBondContact O-CG 3.25Å; Q512-L516 PolarHBondContact O-N 3.11Å
513	L	93.8	Very high	92.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-38.7	177.1	-72	174.8	0	0	0	111.8	L264 V271 V309 L509 L516 G517 M518 I519 L524 F717	L264-L513 HydrophobicContact CD2-CD2 4.46Å; V271-L513 HydrophobicContact CG1-CD2 4.34Å; V309-L513 HydrophobicContact CG1-CD2 4.18Å; L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CG 4.06Å; L509-L513 HydrophobicContact CG-CD1 4.04Å; L509-L513 HydrophobicContact CG-CG 4.37Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 VanDerWaalsContact O-CG 3.28Å; L509-L513 WeakPolarHBondContact O-CG 3.31Å; L509-L513 PolarHBondContact O-N 3.18Å; L513-L516 PolarHBondContact O-N 3.29Å; L513-G517 PolarHBondContact O-N 3.21Å; L513-M518 HydrophobicContact CB-CB 4.24Å; L513-M518 HydrophobicContact CD2-CB 4.11Å; L513-M518 HydrophobicContact CD2-CG 4.19Å; L513-M518 VanDerWaalsContact O-CB 3.3Å; L513-M518 WeakPolarHBondContact O-CB 3.17Å; L513-M518 PolarHBondContact O-N 3.11Å; L513-I519 HydrophobicContact CB-CD1 3.94Å; L513-I519 HydrophobicContact CB-CG1 4.03Å; L513-I519 HydrophobicContact CB-CG2 4.35Å; L513-L524 HydrophobicContact CD1-CD1 4.2Å; L513-L524 HydrophobicContact CD1-CD2 4.27Å; L513-F717 HydrophobicContact CD1-CE1 3.76Å; L513-F717 HydrophobicContact CD1-CZ 4.09Å
514	Y	92.5	Very high	92.4	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-48.9	173.9	178.2	-93.4	0	0	0	110.1	H460 R463 D465 W468 A510 Y511 Q512 L516 G517 I519 D520 P522	H460-Y514 AromaticContact CD2-CD1 3.99Å; H460-Y514 AromaticContact CD2-CE1 3.31Å; H460-Y514 WeakPolarHBondContact CD2-CE1 3.33Å; H460-Y514 AromaticContact CD2-CZ 3.36Å; H460-Y514 PolarHBondContact CD2-OH 2.78Å; H460-Y514 PolarHBondContact CE1-O 3.37Å; H460-Y514 VanDerWaalsContact CE1-O 3.23Å; H460-Y514 AromaticContact NE2-CD1 3.71Å; H460-Y514 AromaticContact NE2-CE1 3.54Å; H460-Y514 AromaticContact NE2-CZ 3.89Å; H460-Y514 PolarHBondContact NE2-O 3.44Å; R463-Y514 PolarHBondContact O-OH 2.92Å; D465-Y514 HydrophobicContact CB-CE2 4.4Å; D465-Y514 PolarHBondContact N-OH 3.08Å; W468-Y514 HydrophobicContact CB-CD1 4.34Å; W468-Y514 HydrophobicContact CB-CE1 3.63Å; W468-Y514 AromaticContact CD2-CD1 3.78Å; W468-Y514 HydrophobicContact CD2-CD1 3.78Å; W468-Y514 AromaticContact CD2-CE1 3.6Å; W468-Y514 HydrophobicContact CD2-CE1 3.6Å; W468-Y514 AromaticContact CE3-CD1 3.59Å; W468-Y514 HydrophobicContact CE3-CD1 3.59Å; W468-Y514 AromaticContact CE3-CE1 3.91Å; W468-Y514 HydrophobicContact CE3-CE1 3.91Å; W468-Y514 HydrophobicContact CG-CD1 4.11Å; W468-Y514 AromaticContact CG-CE1 3.45Å; W468-Y514 HydrophobicContact CG-CE1 3.45Å; W468-Y514 VanDerWaalsContact CG-CE1 3.45Å; W468-Y514 HydrophobicContact CZ3-CD1 4.21Å; A510-Y514 WeakPolarHBondContact O-CB 3.48Å; A510-Y514 PolarHBondContact O-N 2.91Å; Y511-Y514 PolarHBondContact O-N 3.42Å; Q512-Y514 VanDerWaalsContact C-N 3.31Å; Q512-Y514 PolarHBondContact O-N 2.85Å; Y514-L516 PolarHBondContact O-N 2.85Å; Y514-G517 WeakPolarHBondContact O-CA 3.29Å; Y514-G517 PolarHBondContact O-N 3.33Å; Y514-I519 WeakPolarHBondContact CD2-O 3.48Å; Y514-D520 VanDerWaalsContact CE2-O 3.31Å; Y514-D520 WeakPolarHBondContact CE2-O 3.43Å; Y514-P522 HydrophobicContact CG-CB 4.15Å
515	A	90.7	Very high	92	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-30.8	178.9	0	0	0	0	0	113.6	F450 I452 F457 H460 W468 Y511 Q512 G517	F450-A515 HydrophobicContact CE2-CB 4.22Å; F450-A515 HydrophobicContact CZ-CB 3.88Å; I452-A515 HydrophobicContact CD1-CB 3.6Å; F457-A515 WeakPolarHBondContact CD2-O 3.28Å; F457-A515 WeakPolarHBondContact CE2-O 3.29Å; H460-A515 PolarHBondContact CE1-O 2.8Å; W468-A515 HydrophobicContact CH2-CB 3.35Å; W468-A515 HydrophobicContact CZ2-CB 4.12Å; W468-A515 HydrophobicContact CZ3-CB 3.83Å; Y511-A515 VanDerWaalsContact O-CB 3.29Å; Y511-A515 WeakPolarHBondContact O-CB 3.3Å; Y511-A515 PolarHBondContact O-N 2.76Å; Q512-A515 WeakPolarHBondContact O-CB 3.49Å; Q512-A515 PolarHBondContact O-N 3.13Å; A515-G517 PolarHBondContact O-N 2.87Å
516	L	90.3	Very high	91.3	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2	174.7	-65	173.4	0	0	0	113.6	V309 Q512 L513 Y514 M518	V309-L516 HydrophobicContact CB-CD1 4.33Å; V309-L516 HydrophobicContact CG1-CD1 3.73Å; Q512-L516 VanDerWaalsContact O-CG 3.26Å; Q512-L516 WeakPolarHBondContact O-CG 3.25Å; Q512-L516 PolarHBondContact O-N 3.11Å; L513-L516 PolarHBondContact O-N 3.29Å; Y514-L516 PolarHBondContact O-N 2.85Å; L516-M518 VanDerWaalsContact C-N 3.31Å; L516-M518 HydrophobicContact CB-CE 4.17Å; L516-M518 HydrophobicContact CB-CG 3.81Å; L516-M518 PolarHBondContact O-N 3.44Å
517	G	88.6	Confident	90.7	Very high	35 Å²	35	35.3 Å²	35.3	36%	0.361	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	22.8	-178.3	0	0	0	0	0	113.9	L513 Y514 A515	L513-G517 PolarHBondContact O-N 3.21Å; Y514-G517 WeakPolarHBondContact O-CA 3.29Å; Y514-G517 PolarHBondContact O-N 3.33Å; A515-G517 PolarHBondContact O-N 2.87Å
518	M	89.4	Confident	90.4	Very high	20 Å²	20	34.5 Å²	34.5	10%	0.099	17%	0.173	C	C	.	.	S	Bend	trans	-91.1	-23.9	-174.2	-57	-66.8	-174.3	0	0	113.5	I266 R269 V271 D311 L513 L516	I266-M518 HydrophobicContact CD1-CB 3.81Å; I266-M518 HydrophobicContact CD1-CG 4.07Å; I266-M518 HydrophobicContact CD1-SD 3.99Å; R269-M518 HydrophobicContact CG-CE 4.45Å; R269-M518 VanDerWaalsContact NH1-CE 3.26Å; R269-M518 PolarHBondContact NH1-SD 3.13Å; V271-M518 HydrophobicContact CG2-CE 3.42Å; V271-M518 VanDerWaalsContact CG2-CE 3.42Å; V271-M518 HydrophobicContact CG2-CG 4.48Å; V271-M518 HydrophobicContact CG2-SD 3.89Å; D311-M518 HydrophobicContact CB-CE 4.25Å; L513-M518 HydrophobicContact CB-CB 4.24Å; L513-M518 HydrophobicContact CD2-CB 4.11Å; L513-M518 HydrophobicContact CD2-CG 4.19Å; L513-M518 VanDerWaalsContact O-CB 3.3Å; L513-M518 WeakPolarHBondContact O-CB 3.17Å; L513-M518 PolarHBondContact O-N 3.11Å; L516-M518 VanDerWaalsContact C-N 3.31Å; L516-M518 HydrophobicContact CB-CE 4.17Å; L516-M518 HydrophobicContact CB-CG 3.81Å; L516-M518 PolarHBondContact O-N 3.44Å
519	I	90.1	Very high	90	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.118	17%	0.174	C	C	.	.			trans	-135.5	150.2	178.1	64.3	177.7	0	0	0	110.4	A510 L513 Y514 K521 L524 F717	A510-I519 WeakPolarHBondContact O-CD1 3.47Å; L513-I519 HydrophobicContact CB-CD1 3.94Å; L513-I519 HydrophobicContact CB-CG1 4.03Å; L513-I519 HydrophobicContact CB-CG2 4.35Å; Y514-I519 WeakPolarHBondContact CD2-O 3.48Å; I519-K521 WeakPolarHBondContact CD1-O 3.34Å; I519-K521 WeakPolarHBondContact CG1-O 3.39Å; I519-L524 HydrophobicContact CD1-CD2 4.27Å; I519-F717 HydrophobicContact CG2-CD1 4.1Å; I519-F717 HydrophobicContact CG2-CD2 3.94Å; I519-F717 HydrophobicContact CG2-CE1 3.77Å; I519-F717 HydrophobicContact CG2-CE2 3.58Å; I519-F717 HydrophobicContact CG2-CG 4.18Å; I519-F717 HydrophobicContact CG2-CZ 3.48Å; I519-F717 VanDerWaalsContact CG2-CZ 3.48Å
520	D	86.3	Confident	89.7	Confident	107 Å²	107	34.6 Å²	34.6	57%	0.572	17%	0.174	S	C	*	.	S	Bend	trans	-77.4	-21.8	-177.3	-72	-50.6	0	0	0	114.4	R463 Y514	R463-D520 IonicContact CZ-OD1 3.04Å; R463-D520 IonicContact NH1-OD1 2.86Å; R463-D520 PolarHBondContact NH1-OD1 3.21Å; R463-D520 IonicContact NH1-OD2 3.68Å; Y514-D520 VanDerWaalsContact CE2-O 3.31Å; Y514-D520 WeakPolarHBondContact CE2-O 3.43Å
521	K	89.1	Confident	89.5	Confident	135 Å²	135	34.4 Å²	34.4	59%	0.587	17%	0.173	S	C	*	.	S	Bend	trans	-140.3	140.8	-178.8	-65.4	-176.2	-179.3	-179.7	0	109.8	I519 K523	I519-K521 WeakPolarHBondContact CD1-O 3.34Å; I519-K521 WeakPolarHBondContact CG1-O 3.39Å; K521-K523 PolarHBondContact O-N 3.29Å
522	P	89.4	Confident	89.3	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.039	18%	0.176	C	C	.	.	S	Bend	trans	-76	59.5	179.8	33.2	-36.3	0	0	0	111.4	R467 Y511 Y514	R467-P522 HydrophobicContact CB-CG 4.03Å; Y511-P522 HydrophobicContact CD1-CB 3.65Å; Y511-P522 HydrophobicContact CD1-CG 4.29Å; Y511-P522 HydrophobicContact CE1-CB 3.78Å; Y511-P522 HydrophobicContact CE1-CG 4Å; Y511-P522 HydrophobicContact CG-CB 4.05Å; Y514-P522 HydrophobicContact CG-CB 4.15Å
523	K	89.4	Confident	89.1	Confident	146 Å²	146	35.5 Å²	35.5	64%	0.635	18%	0.176	S	C	*	.			trans	-146.8	118.5	177.3	-174.4	173.9	-178.3	174.8	0	110.9	K521	K521-K523 PolarHBondContact O-N 3.29Å
524	L	90.5	Very high	89	Confident	14 Å²	14	35.5 Å²	35.5	7%	0.073	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-100.7	122.8	174.4	-67.7	171	0	0	0	111.1	K506 L509 A510 L513 I519 V531 F717	K506-L524 WeakPolarHBondContact CE-O 3.22Å; K506-L524 PolarHBondContact NZ-O 3.01Å; L509-L524 HydrophobicContact CB-CD1 4.1Å; L509-L524 HydrophobicContact CD2-CD1 3.93Å; L509-L524 HydrophobicContact CG-CD1 3.81Å; A510-L524 HydrophobicContact CB-CB 4.3Å; A510-L524 HydrophobicContact CB-CD1 3.88Å; A510-L524 HydrophobicContact CB-CG 3.68Å; L513-L524 HydrophobicContact CD1-CD1 4.2Å; L513-L524 HydrophobicContact CD1-CD2 4.27Å; I519-L524 HydrophobicContact CD1-CD2 4.27Å; L524-V531 HydrophobicContact CB-CG2 4.02Å; L524-V531 HydrophobicContact CD1-CG2 4.48Å; L524-F717 HydrophobicContact CD2-CD1 3.83Å; L524-F717 HydrophobicContact CD2-CE1 4.02Å
525	Q	86.7	Confident	89	Confident	124 Å²	124	35.5 Å²	35.5	58%	0.579	18%	0.177	S	C	*	.	P	Polyproline II helix	trans	-74	149	172	-60.5	-170.9	12.3	0	0	110.3	T528 V531 V719	Q525-T528 HydrophobicContact CB-CG2 4.2Å; Q525-T528 WeakPolarHBondContact O-CG2 3.3Å; Q525-T528 PolarHBondContact O-OG1 3.42Å; Q525-T528 VanDerWaalsContact O-OG1 3.13Å; Q525-V531 WeakPolarHBondContact O-CG2 3.34Å; Q525-V719 HydrophobicContact CB-CG2 3.91Å
526	F	81.6	Confident	89	Confident	53 Å²	53	38.3 Å²	38.3	23%	0.232	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	160.5	169.5	-71.6	-79.5	0	0	0	110.3	F502 M503 K506 T528 V531	F502-F526 HydrophobicContact CE1-CE1 4.49Å; M503-F526 HydrophobicContact CE-CZ 3.85Å; M503-F526 HydrophobicContact SD-CE1 4.15Å; M503-F526 HydrophobicContact SD-CZ 3.76Å; K506-F526 HydrophobicContact CD-CD1 4.35Å; K506-F526 HydrophobicContact CD-CE1 3.8Å; K506-F526 HydrophobicContact CD-CZ 4.08Å; F526-T528 PolarHBondContact O-N 3.31Å; F526-V531 HydrophobicContact CD1-CG1 4.28Å
527	D	83.1	Confident	89.1	Confident	43 Å²	43	38.6 Å²	38.6	23%	0.23	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	18.2	177.8	-57.5	-51.1	0	0	0	116.2	R532 R562 V719 R720	D527-R532 IonicContact OD1-NH2 2.71Å; D527-R562 IonicContact OD1-CZ 2.91Å; D527-R562 IonicContact OD1-NH1 3.16Å; D527-R562 IonicContact OD1-NH2 3.33Å; D527-R562 PolarHBondContact OD1-NH2 2.77Å; D527-R562 IonicContact OD2-NH2 2.71Å; D527-R562 PolarHBondContact OD2-NH2 3.07Å; D527-V719 HydrophobicContact CB-CG1 4.05Å; D527-R720 PolarHBondContact O-N 3Å; D527-R720 VanDerWaalsContact O-N 3.08Å
528	T	88.7	Confident	89.3	Confident	2 Å²	2	37 Å²	37	1%	0.012	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-85.5	152.3	164.6	60.1	0	0	0	0	110	Q525 F526 C530 V531 R532 P716 F717 V719	Q525-T528 HydrophobicContact CB-CG2 4.2Å; Q525-T528 WeakPolarHBondContact O-CG2 3.3Å; Q525-T528 PolarHBondContact O-OG1 3.42Å; Q525-T528 VanDerWaalsContact O-OG1 3.13Å; F526-T528 PolarHBondContact O-N 3.31Å; T528-C530 PolarHBondContact O-N 2.86Å; T528-V531 PolarHBondContact O-N 3.39Å; T528-V531 VanDerWaalsContact O-N 3.15Å; T528-V531 WeakPolarHBondContact OG1-CB 3.45Å; T528-V531 VanDerWaalsContact OG1-CG2 3.3Å; T528-V531 WeakPolarHBondContact OG1-CG2 3.09Å; T528-V531 PolarHBondContact OG1-N 3.36Å; T528-R532 WeakPolarHBondContact O-CG 3.36Å; T528-R532 PolarHBondContact O-N 3.24Å; T528-P716 WeakPolarHBondContact CB-O 3.38Å; T528-F717 VanDerWaalsContact CG2-C 3.5Å; T528-F717 WeakPolarHBondContact CG2-O 3.21Å; T528-V719 HydrophobicContact CG2-CG2 3.98Å
529	D	87.8	Confident	89.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-39.6	177.7	-65.1	-3.4	0	0	0	111.8	V531 R532 L533 F705 P716 R720	D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 2.84Å; D529-R532 PolarHBondContact O-N 3.38Å; D529-L533 WeakPolarHBondContact O-CB 3.43Å; D529-L533 PolarHBondContact O-N 2.79Å; D529-F705 HydrophobicContact CB-CB 3.85Å; D529-F705 HydrophobicContact CB-CD2 4.32Å; D529-F705 HydrophobicContact CB-CG 4.33Å; D529-F705 WeakPolarHBondContact OD1-CB 3.47Å; D529-F705 WeakPolarHBondContact OD2-CB 3.49Å; D529-P716 HydrophobicContact CB-CB 4.14Å; D529-P716 PolarHBondContact N-O 2.89Å; D529-P716 VanDerWaalsContact N-O 3.09Å; D529-R720 IonicContact OD1-NH1 3.79Å; D529-R720 PolarHBondContact OD1-NH1 3.23Å; D529-R720 IonicContact OD2-CZ 2.92Å; D529-R720 IonicContact OD2-NH1 2.71Å; D529-R720 PolarHBondContact OD2-NH1 3.25Å
530	C	91.3	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-47.2	176.2	179.8	0	0	0	0	111.4	L264 T528 F534 P716 F717	L264-C530 HydrophobicContact CD1-CB 3.97Å; L264-C530 HydrophobicContact CD2-CB 4.3Å; T528-C530 PolarHBondContact O-N 2.86Å; C530-F534 VanDerWaalsContact O-CB 3.26Å; C530-F534 WeakPolarHBondContact O-CB 3.44Å; C530-F534 PolarHBondContact O-N 3.05Å; C530-F534 VanDerWaalsContact O-N 3.1Å; C530-P716 PolarHBondContact N-O 3.49Å; C530-P716 VanDerWaalsContact N-O 3.08Å; C530-F717 HydrophobicContact CB-CD1 3.98Å; C530-F717 HydrophobicContact CB-CE1 3.85Å
531	V	91.4	Very high	89.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-73.3	-31.6	-179.2	173.2	0	0	0	0	111.5	F502 K506 L524 Q525 F526 T528 D529 F534 E535	F502-V531 HydrophobicContact CZ-CG1 4.3Å; K506-V531 HydrophobicContact CD-CG1 4.13Å; K506-V531 HydrophobicContact CD-CG2 4.39Å; L524-V531 HydrophobicContact CB-CG2 4.02Å; L524-V531 HydrophobicContact CD1-CG2 4.48Å; Q525-V531 WeakPolarHBondContact O-CG2 3.34Å; F526-V531 HydrophobicContact CD1-CG1 4.28Å; T528-V531 PolarHBondContact O-N 3.39Å; T528-V531 VanDerWaalsContact O-N 3.15Å; T528-V531 WeakPolarHBondContact OG1-CB 3.45Å; T528-V531 VanDerWaalsContact OG1-CG2 3.3Å; T528-V531 WeakPolarHBondContact OG1-CG2 3.09Å; T528-V531 PolarHBondContact OG1-N 3.36Å; D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 2.84Å; V531-F534 PolarHBondContact O-N 3.35Å; V531-E535 VanDerWaalsContact O-CB 3.23Å; V531-E535 WeakPolarHBondContact O-CB 3.28Å; V531-E535 PolarHBondContact O-N 3.3Å
532	R	88.8	Confident	89.8	Confident	25 Å²	25	28.3 Å²	28.3	9%	0.094	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-49.7	175.2	-74.3	175.5	173.5	154.1	4	112.5	D527 T528 D529 F534 E535 E536 F705 R720	D527-R532 IonicContact OD1-NH2 2.71Å; T528-R532 WeakPolarHBondContact O-CG 3.36Å; T528-R532 PolarHBondContact O-N 3.24Å; D529-R532 PolarHBondContact O-N 3.38Å; R532-F534 PolarHBondContact O-N 2.98Å; R532-E535 WeakPolarHBondContact O-CB 3.4Å; R532-E535 PolarHBondContact O-N 3.38Å; R532-E535 VanDerWaalsContact O-N 3.1Å; R532-E536 PolarHBondContact O-N 3.26Å; R532-F705 HydrophobicContact CB-CZ 4.43Å; R532-R720 PolarHBondContact NH2-O 3.15Å
533	L	90.9	Very high	89.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-38.3	175.5	176.2	152.8	0	0	0	111.2	I273 D529 L537 T699 F705	I273-L533 HydrophobicContact CD1-CD2 4.18Å; D529-L533 WeakPolarHBondContact O-CB 3.43Å; D529-L533 PolarHBondContact O-N 2.79Å; L533-L537 PolarHBondContact O-N 2.89Å; L533-T699 HydrophobicContact CD1-CG2 4.42Å; L533-T699 HydrophobicContact CG-CG2 4.35Å; L533-F705 HydrophobicContact CB-CE2 3.93Å
534	F	93.5	Very high	89.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.4	-37.1	175	-172.6	-109.1	0	0	0	113.1	I273 Q307 F502 K506 L509 C530 V531 R532 L537 Y538	I273-F534 HydrophobicContact CG2-CD2 4.01Å; I273-F534 HydrophobicContact CG2-CE2 4.27Å; Q307-F534 HydrophobicContact CG-CE2 4.22Å; Q307-F534 VanDerWaalsContact OE1-CE2 3.32Å; F502-F534 AromaticContact CD2-CD1 3.91Å; F502-F534 HydrophobicContact CD2-CD1 3.91Å; F502-F534 AromaticContact CD2-CE1 3.84Å; F502-F534 HydrophobicContact CD2-CE1 3.84Å; F502-F534 AromaticContact CE2-CD1 3.49Å; F502-F534 HydrophobicContact CE2-CD1 3.49Å; F502-F534 VanDerWaalsContact CE2-CD1 3.49Å; F502-F534 AromaticContact CE2-CE1 3.88Å; F502-F534 HydrophobicContact CE2-CE1 3.88Å; F502-F534 HydrophobicContact CZ-CD1 4.45Å; K506-F534 HydrophobicContact CB-CD1 4.46Å; K506-F534 HydrophobicContact CB-CE1 4.08Å; L509-F534 HydrophobicContact CD2-CB 4.17Å; L509-F534 HydrophobicContact CD2-CD1 4.11Å; L509-F534 HydrophobicContact CD2-CD2 3.78Å; L509-F534 HydrophobicContact CD2-CE1 4.49Å; L509-F534 HydrophobicContact CD2-CE2 4.13Å; L509-F534 HydrophobicContact CD2-CG 3.76Å; L509-F534 HydrophobicContact CD2-CZ 4.47Å; C530-F534 VanDerWaalsContact O-CB 3.26Å; C530-F534 WeakPolarHBondContact O-CB 3.44Å; C530-F534 PolarHBondContact O-N 3.05Å; C530-F534 VanDerWaalsContact O-N 3.1Å; V531-F534 PolarHBondContact O-N 3.35Å; R532-F534 PolarHBondContact O-N 2.98Å; F534-L537 PolarHBondContact O-N 2.93Å; F534-Y538 HydrophobicContact CD1-CD2 4.31Å; F534-Y538 HydrophobicContact CD1-CE2 4.42Å; F534-Y538 HydrophobicContact CD2-CD2 4.29Å; F534-Y538 HydrophobicContact CD2-CE2 4.13Å; F534-Y538 AromaticContact CE1-CD2 3.88Å; F534-Y538 HydrophobicContact CE1-CD2 3.88Å; F534-Y538 AromaticContact CE1-CE2 3.64Å; F534-Y538 HydrophobicContact CE1-CE2 3.64Å; F534-Y538 AromaticContact CE2-CD2 3.92Å; F534-Y538 HydrophobicContact CE2-CD2 3.92Å; F534-Y538 AromaticContact CE2-CE2 3.33Å; F534-Y538 HydrophobicContact CE2-CE2 3.33Å; F534-Y538 HydrophobicContact CG-CD2 4.48Å; F534-Y538 AromaticContact CZ-CD2 3.69Å; F534-Y538 HydrophobicContact CZ-CD2 3.69Å; F534-Y538 AromaticContact CZ-CE2 3.02Å; F534-Y538 HydrophobicContact CZ-CE2 3.02Å; F534-Y538 AromaticContact CZ-CZ 3.69Å; F534-Y538 WeakPolarHBondContact O-CD2 3.49Å; F534-Y538 PolarHBondContact O-N 3.01Å; F534-Y538 VanDerWaalsContact O-N 3.12Å
535	E	91.3	Very high	89.8	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-43.7	174.8	-175.9	173.3	177.3	0	0	111.1	F502 V531 R532 L537 Y538 E539 V558 K559 R562	F502-E535 HydrophobicContact CE2-CB 3.85Å; F502-E535 HydrophobicContact CE2-CG 4.35Å; F502-E535 HydrophobicContact CZ-CB 3.98Å; F502-E535 HydrophobicContact CZ-CG 4.25Å; V531-E535 VanDerWaalsContact O-CB 3.23Å; V531-E535 WeakPolarHBondContact O-CB 3.28Å; V531-E535 PolarHBondContact O-N 3.3Å; R532-E535 WeakPolarHBondContact O-CB 3.4Å; R532-E535 PolarHBondContact O-N 3.38Å; R532-E535 VanDerWaalsContact O-N 3.1Å; E535-L537 PolarHBondContact O-N 2.81Å; E535-Y538 PolarHBondContact O-N 3.03Å; E535-E539 WeakPolarHBondContact O-CG 3.48Å; E535-E539 PolarHBondContact O-N 3.22Å; E535-V558 HydrophobicContact CG-CB 4.18Å; E535-V558 HydrophobicContact CG-CG1 4.26Å; E535-K559 WeakPolarHBondContact OE1-CG 3.38Å; E535-R562 IonicContact OE1-NH1 3.01Å; E535-R562 IonicContact OE2-NH1 2.88Å; E535-R562 PolarHBondContact OE2-NH1 2.86Å
536	E	90.3	Very high	89.9	Confident	64 Å²	64	16.9 Å²	16.9	30%	0.299	9%	0.085	S	C	.	.	H	α-helix	trans	-60.6	-44.2	174.6	-72.9	173.6	-177.1	0	0	112	R532 Y538 E539 D540	R532-E536 PolarHBondContact O-N 3.26Å; E536-Y538 VanDerWaalsContact C-N 3.3Å; E536-Y538 PolarHBondContact O-N 3.22Å; E536-E539 WeakPolarHBondContact O-CB 3.22Å; E536-E539 PolarHBondContact O-N 2.82Å; E536-E539 VanDerWaalsContact O-N 3.13Å; E536-D540 PolarHBondContact O-N 2.93Å
537	L	92.2	Very high	90	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-38.8	177.2	-170.7	63.6	0	0	0	112.3	F258 I273 L275 L533 F534 E535 H541	F258-L537 HydrophobicContact CE1-CD1 4.02Å; F258-L537 HydrophobicContact CZ-CD1 4.08Å; I273-L537 HydrophobicContact CG2-CD2 4.23Å; L275-L537 HydrophobicContact CB-CD1 4.33Å; L275-L537 HydrophobicContact CB-CD2 3.56Å; L275-L537 HydrophobicContact CB-CG 3.77Å; L275-L537 HydrophobicContact CD2-CD2 4.49Å; L275-L537 HydrophobicContact CD2-CG 4.03Å; L533-L537 PolarHBondContact O-N 2.89Å; F534-L537 PolarHBondContact O-N 2.93Å; E535-L537 PolarHBondContact O-N 2.81Å; L537-H541 VanDerWaalsContact O-CB 3.29Å; L537-H541 WeakPolarHBondContact O-CB 3.48Å; L537-H541 PolarHBondContact O-N 3.32Å
538	Y	93.9	Very high	90	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-76.5	-27.3	175.5	-91.2	-102.4	0	0	0	113.6	L275 Q307 N498 Q501 F502 F534 E535 E536 G542	L275-Y538 HydrophobicContact CD1-CE2 3.86Å; L275-Y538 HydrophobicContact CD2-CD1 4.43Å; L275-Y538 HydrophobicContact CD2-CD2 3.72Å; L275-Y538 HydrophobicContact CD2-CE1 4.45Å; L275-Y538 HydrophobicContact CD2-CE2 3.67Å; L275-Y538 HydrophobicContact CD2-CG 4.11Å; L275-Y538 HydrophobicContact CG-CE2 4.4Å; Q307-Y538 PolarHBondContact OE1-OH 3.47Å; N498-Y538 PolarHBondContact ND2-O 3.32Å; N498-Y538 PolarHBondContact OD1-O 3.43Å; Q501-Y538 HydrophobicContact CB-CE1 4.27Å; F502-Y538 HydrophobicContact CB-CD1 3.68Å; F502-Y538 HydrophobicContact CB-CE1 4.22Å; F502-Y538 HydrophobicContact CB-CG 4.04Å; F502-Y538 HydrophobicContact CD2-CD1 4.27Å; F502-Y538 HydrophobicContact CD2-CD2 4.08Å; F502-Y538 AromaticContact CD2-CG 3.77Å; F502-Y538 HydrophobicContact CD2-CG 3.77Å; F502-Y538 HydrophobicContact CG-CD1 4.5Å; F502-Y538 HydrophobicContact CG-CG 4.4Å; F534-Y538 HydrophobicContact CD1-CD2 4.31Å; F534-Y538 HydrophobicContact CD1-CE2 4.42Å; F534-Y538 HydrophobicContact CD2-CD2 4.29Å; F534-Y538 HydrophobicContact CD2-CE2 4.13Å; F534-Y538 AromaticContact CE1-CD2 3.88Å; F534-Y538 HydrophobicContact CE1-CD2 3.88Å; F534-Y538 AromaticContact CE1-CE2 3.64Å; F534-Y538 HydrophobicContact CE1-CE2 3.64Å; F534-Y538 AromaticContact CE2-CD2 3.92Å; F534-Y538 HydrophobicContact CE2-CD2 3.92Å; F534-Y538 AromaticContact CE2-CE2 3.33Å; F534-Y538 HydrophobicContact CE2-CE2 3.33Å; F534-Y538 HydrophobicContact CG-CD2 4.48Å; F534-Y538 AromaticContact CZ-CD2 3.69Å; F534-Y538 HydrophobicContact CZ-CD2 3.69Å; F534-Y538 AromaticContact CZ-CE2 3.02Å; F534-Y538 HydrophobicContact CZ-CE2 3.02Å; F534-Y538 AromaticContact CZ-CZ 3.69Å; F534-Y538 WeakPolarHBondContact O-CD2 3.49Å; F534-Y538 PolarHBondContact O-N 3.01Å; F534-Y538 VanDerWaalsContact O-N 3.12Å; E535-Y538 PolarHBondContact O-N 3.03Å; E536-Y538 VanDerWaalsContact C-N 3.3Å; E536-Y538 PolarHBondContact O-N 3.22Å; Y538-G542 PolarHBondContact O-N 3.24Å
539	E	90.2	Very high	89.4	Confident	18 Å²	18	17.7 Å²	17.7	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-49.6	170.6	-78.2	-171.5	-163.3	0	0	110.2	E535 E536 G542 D543 R557 K559	E535-E539 WeakPolarHBondContact O-CG 3.48Å; E535-E539 PolarHBondContact O-N 3.22Å; E536-E539 WeakPolarHBondContact O-CB 3.22Å; E536-E539 PolarHBondContact O-N 2.82Å; E536-E539 VanDerWaalsContact O-N 3.13Å; E539-G542 PolarHBondContact O-N 3.49Å; E539-D543 WeakPolarHBondContact O-CB 3.47Å; E539-D543 PolarHBondContact O-N 3.34Å; E539-R557 IonicContact OE2-CZ 2.71Å; E539-R557 IonicContact OE2-NH1 2.74Å; E539-R557 PolarHBondContact OE2-NH1 3.11Å; E539-K559 WeakPolarHBondContact OE1-CE 3.31Å; E539-K559 IonicContact OE1-NZ 3.63Å; E539-K559 PolarHBondContact OE1-NZ 3.04Å; E539-K559 VanDerWaalsContact OE1-NZ 3.12Å; E539-K559 IonicContact OE2-NZ 3.46Å
540	D	91.3	Very high	88.6	Confident	86 Å²	86	17.8 Å²	17.8	46%	0.46	9%	0.091	S	C	.	.	H	α-helix	trans	-62	-45.7	177.6	-73.4	-13.7	0	0	0	111.8	F258 E536 G542 D543 T544	F258-D540 HydrophobicContact CE2-CB 3.87Å; F258-D540 HydrophobicContact CZ-CB 3.87Å; E536-D540 PolarHBondContact O-N 2.93Å; D540-G542 VanDerWaalsContact C-N 3.3Å; D540-G542 PolarHBondContact O-N 3.09Å; D540-D543 PolarHBondContact O-N 3.08Å; D540-T544 WeakPolarHBondContact O-CB 3.25Å; D540-T544 PolarHBondContact O-N 3.03Å; D540-T544 PolarHBondContact O-OG1 3.29Å
541	H	93.3	Very high	87.9	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-52.9	-47.9	172.1	162.8	-99.4	0	0	0	112.1	F258 L275 A277 T305 N498 L537 L545	F258-H541 HydrophobicContact CD1-CB 3.79Å; F258-H541 HydrophobicContact CE1-CB 3.86Å; F258-H541 HydrophobicContact CG-CB 4.23Å; F258-H541 HydrophobicContact CZ-CB 4.37Å; L275-H541 HydrophobicContact CD2-CB 3.62Å; A277-H541 WeakPolarHBondContact CB-NE2 3.12Å; T305-H541 PolarHBondContact OG1-NE2 3.38Å; N498-H541 PolarHBondContact OD1-CE1 3.02Å; N498-H541 PolarHBondContact OD1-ND1 3.16Å; L537-H541 VanDerWaalsContact O-CB 3.29Å; L537-H541 WeakPolarHBondContact O-CB 3.48Å; L537-H541 PolarHBondContact O-N 3.32Å; H541-L545 WeakPolarHBondContact CD2-CD1 3.22Å; H541-L545 WeakPolarHBondContact NE2-CD1 3.13Å; H541-L545 WeakPolarHBondContact O-CB 3.41Å; H541-L545 WeakPolarHBondContact O-CD1 3.38Å; H541-L545 VanDerWaalsContact O-CG 3.26Å; H541-L545 WeakPolarHBondContact O-CG 3.08Å; H541-L545 PolarHBondContact O-N 3.1Å; H541-L545 VanDerWaalsContact O-N 3.11Å
542	G	91	Very high	87.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.8	-44.8	179.8	0	0	0	0	0	112.7	L494 Y538 E539 D540 L545 S546 L554	L494-G542 WeakPolarHBondContact CD2-O 3.26Å; Y538-G542 PolarHBondContact O-N 3.24Å; E539-G542 PolarHBondContact O-N 3.49Å; D540-G542 VanDerWaalsContact C-N 3.3Å; D540-G542 PolarHBondContact O-N 3.09Å; G542-L545 PolarHBondContact O-N 3.13Å; G542-S546 WeakPolarHBondContact O-CB 3.42Å; G542-S546 PolarHBondContact O-N 2.86Å; G542-L554 VanDerWaalsContact C-CG 3.49Å; G542-L554 WeakPolarHBondContact O-CG 3.34Å
543	D	89	Confident	86.7	Confident	16 Å²	16	21.7 Å²	21.7	9%	0.086	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-47.5	179.1	-80.9	-22.7	0	0	0	111.7	E539 D540 L545 S546 L547 Q553 L554 R557	E539-D543 WeakPolarHBondContact O-CB 3.47Å; E539-D543 PolarHBondContact O-N 3.34Å; D540-D543 PolarHBondContact O-N 3.08Å; D543-L545 VanDerWaalsContact C-N 3.33Å; D543-L545 PolarHBondContact O-N 2.71Å; D543-S546 PolarHBondContact O-N 3.42Å; D543-L547 PolarHBondContact O-N 2.91Å; D543-L547 VanDerWaalsContact O-N 3.09Å; D543-Q553 HydrophobicContact CB-CB 4.49Å; D543-Q553 HydrophobicContact CB-CG 4.22Å; D543-L554 WeakPolarHBondContact OD1-CB 3.46Å; D543-L554 PolarHBondContact OD1-N 3.33Å; D543-R557 IonicContact OD1-NH2 3.9Å; D543-R557 PolarHBondContact OD1-NH2 3.22Å; D543-R557 IonicContact OD2-CZ 3.18Å; D543-R557 IonicContact OD2-NH1 3.82Å; D543-R557 PolarHBondContact OD2-NH1 3.34Å; D543-R557 VanDerWaalsContact OD2-NH1 3.12Å; D543-R557 IonicContact OD2-NH2 2.74Å; D543-R557 PolarHBondContact OD2-NH2 2.9Å
544	T	90.8	Very high	85.6	Confident	27 Å²	27	21.8 Å²	21.8	17%	0.166	11%	0.113	C	C	.	.	H	α-helix	trans	-57	-47.5	176.4	-72.5	0	0	0	0	111.1	N161 G257 F258 D540 L547 Q548	N161-T544 HydrophobicContact CB-CG2 4.42Å; N161-T544 WeakPolarHBondContact OD1-CG2 3.37Å; G257-T544 VanDerWaalsContact O-CG2 3.23Å; G257-T544 WeakPolarHBondContact O-CG2 3.19Å; F258-T544 HydrophobicContact CB-CG2 4.14Å; F258-T544 HydrophobicContact CD2-CG2 4.11Å; D540-T544 WeakPolarHBondContact O-CB 3.25Å; D540-T544 PolarHBondContact O-N 3.03Å; D540-T544 PolarHBondContact O-OG1 3.29Å; T544-L547 PolarHBondContact O-N 3.16Å; T544-Q548 WeakPolarHBondContact O-CG 3.43Å; T544-Q548 PolarHBondContact O-N 2.78Å
545	L	90	Very high	84.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.8	-36.5	-178.3	-68.6	157.2	0	0	0	111	A277 V303 R329 L494 H541 G542 D543 L547 Q548 Y549	A277-L545 HydrophobicContact CB-CD1 3.79Å; A277-L545 HydrophobicContact CB-CD2 4.4Å; V303-L545 HydrophobicContact CG1-CD2 4.37Å; V303-L545 HydrophobicContact CG2-CD2 4.34Å; R329-L545 VanDerWaalsContact NH2-CG 3.28Å; L494-L545 HydrophobicContact CD2-CB 3.9Å; H541-L545 WeakPolarHBondContact CD2-CD1 3.22Å; H541-L545 WeakPolarHBondContact NE2-CD1 3.13Å; H541-L545 WeakPolarHBondContact O-CB 3.41Å; H541-L545 WeakPolarHBondContact O-CD1 3.38Å; H541-L545 VanDerWaalsContact O-CG 3.26Å; H541-L545 WeakPolarHBondContact O-CG 3.08Å; H541-L545 PolarHBondContact O-N 3.1Å; H541-L545 VanDerWaalsContact O-N 3.11Å; G542-L545 PolarHBondContact O-N 3.13Å; D543-L545 VanDerWaalsContact C-N 3.33Å; D543-L545 PolarHBondContact O-N 2.71Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 3.11Å; L545-Q548 WeakPolarHBondContact O-CB 3.39Å; L545-Q548 PolarHBondContact O-N 2.61Å; L545-Q548 VanDerWaalsContact O-N 3.13Å; L545-Y549 HydrophobicContact CB-CE2 4.29Å; L545-Y549 HydrophobicContact CD2-CE2 4.23Å; L545-Y549 WeakPolarHBondContact O-CD2 3.42Å; L545-Y549 WeakPolarHBondContact O-CE2 3.14Å
546	S	87.1	Confident	83.2	Confident	6 Å²	6	25.8 Å²	25.8	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-41.6	176.6	-168.8	0	0	0	0	111.5	G542 D543 Q548 Y549 G550 S552 Q553 R580	G542-S546 WeakPolarHBondContact O-CB 3.42Å; G542-S546 PolarHBondContact O-N 2.86Å; D543-S546 PolarHBondContact O-N 3.42Å; S546-Q548 VanDerWaalsContact C-N 3.27Å; S546-Q548 PolarHBondContact O-N 2.86Å; S546-Y549 PolarHBondContact O-N 2.91Å; S546-G550 WeakPolarHBondContact O-CA 3.4Å; S546-G550 PolarHBondContact O-N 3.31Å; S546-S552 CarbonylContact C-O 3.43Å; S546-S552 WeakPolarHBondContact CB-O 3.46Å; S546-S552 PolarHBondContact OG-O 3.25Å; S546-Q553 PolarHBondContact OG-O 3.41Å; S546-R580 PolarHBondContact OG-NH2 2.73Å
547	L	85.1	Confident	82.5	Confident	81 Å²	81	24.4 Å²	24.4	42%	0.424	12%	0.124	S	C	.	.	H	α-helix	trans	-62.4	-36.6	179.1	-170.6	68.2	0	0	0	111.8	D543 T544 L545 Y549 G551 S552	D543-L547 PolarHBondContact O-N 2.91Å; D543-L547 VanDerWaalsContact O-N 3.09Å; T544-L547 PolarHBondContact O-N 3.16Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 3.11Å; L547-Y549 PolarHBondContact O-N 3.21Å; L547-G551 WeakPolarHBondContact O-CA 3.38Å; L547-G551 PolarHBondContact O-N 2.94Å; L547-S552 WeakPolarHBondContact CA-O 3.31Å; L547-S552 PolarHBondContact N-O 3.16Å; L547-S552 VanDerWaalsContact N-O 3.1Å
548	Q	83.1	Confident	81.4	Confident	12 Å²	12	24.2 Å²	24.2	6%	0.056	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-27	-176.1	-70.6	173.4	17.6	0	0	114.8	G257 R279 T544 L545 S546	G257-Q548 PolarHBondContact O-NE2 3.1Å; R279-Q548 PolarHBondContact NH1-O 3.04Å; T544-Q548 WeakPolarHBondContact O-CG 3.43Å; T544-Q548 PolarHBondContact O-N 2.78Å; L545-Q548 WeakPolarHBondContact O-CB 3.39Å; L545-Q548 PolarHBondContact O-N 2.61Å; L545-Q548 VanDerWaalsContact O-N 3.13Å; S546-Q548 VanDerWaalsContact C-N 3.27Å; S546-Q548 PolarHBondContact O-N 2.86Å
549	Y	74.8	Confident	80.3	Confident	22 Å²	22	27.6 Å²	27.6	9%	0.086	14%	0.138	C	C	.	.	H	α-helix	trans	-114.6	-33.2	-177.8	-49.7	-84.4	0	0	0	113.5	R279 R287 N301 V303 L545 S546 L547	R279-Y549 VanDerWaalsContact CD-CZ 3.45Å; R279-Y549 WeakPolarHBondContact CD-OH 3.47Å; R279-Y549 HydrophobicContact CG-CE1 4.14Å; R279-Y549 WeakPolarHBondContact CG-OH 3.15Å; R279-Y549 VanDerWaalsContact NH2-CD1 3.26Å; R279-Y549 VanDerWaalsContact NH2-CE1 3.29Å; R287-Y549 WeakPolarHBondContact CB-O 3.29Å; R287-Y549 PolarHBondContact N-O 3.25Å; N301-Y549 HydrophobicContact CB-CD1 3.58Å; N301-Y549 HydrophobicContact CB-CE1 3.27Å; N301-Y549 VanDerWaalsContact OD1-CD1 3.22Å; N301-Y549 WeakPolarHBondContact OD1-CD1 3.38Å; N301-Y549 WeakPolarHBondContact OD1-CE1 3.46Å; V303-Y549 HydrophobicContact CG2-CE2 4.47Å; V303-Y549 WeakPolarHBondContact CG2-OH 3.39Å; L545-Y549 HydrophobicContact CB-CE2 4.29Å; L545-Y549 HydrophobicContact CD2-CE2 4.23Å; L545-Y549 WeakPolarHBondContact O-CD2 3.42Å; L545-Y549 WeakPolarHBondContact O-CE2 3.14Å; S546-Y549 PolarHBondContact O-N 2.91Å; L547-Y549 PolarHBondContact O-N 3.21Å
550	G	70.8	Confident	79.3	Confident	5 Å²	5	28.7 Å²	28.7	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-119.2	12.6	-174.3	0	0	0	0	0	114.1	S546 S552	S546-G550 WeakPolarHBondContact O-CA 3.4Å; S546-G550 PolarHBondContact O-N 3.31Å; G550-S552 PolarHBondContact O-N 2.96Å; G550-S552 PolarHBondContact O-OG 3.01Å
551	G	76.8	Confident	78.2	Confident	7 Å²	7	25.8 Å²	25.8	7%	0.072	13%	0.129	C	C	.	.	S	Bend	trans	57.1	21.2	173.1	0	0	0	0	0	115.3	L547 S583	L547-G551 WeakPolarHBondContact O-CA 3.38Å; L547-G551 PolarHBondContact O-N 2.94Å; G551-S583 PolarHBondContact O-OG 3.3Å; G551-S583 VanDerWaalsContact O-OG 3.05Å
552	S	77.9	Confident	77.1	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	14%	0.136	C	C	.	.	S	Bend	trans	-156	156.4	-174.9	53.7	0	0	0	0	110.2	S546 L547 G550 R580	S546-S552 CarbonylContact C-O 3.43Å; S546-S552 WeakPolarHBondContact CB-O 3.46Å; S546-S552 PolarHBondContact OG-O 3.25Å; L547-S552 WeakPolarHBondContact CA-O 3.31Å; L547-S552 PolarHBondContact N-O 3.16Å; L547-S552 VanDerWaalsContact N-O 3.1Å; G550-S552 PolarHBondContact O-N 2.96Å; G550-S552 PolarHBondContact O-OG 3.01Å; S552-R580 VanDerWaalsContact OG-CB 3.24Å; S552-R580 WeakPolarHBondContact OG-CB 3.47Å; S552-R580 WeakPolarHBondContact OG-CG 3.37Å; S552-R580 PolarHBondContact OG-NE 2.81Å
553	Q	76.9	Confident	76.1	Confident	96 Å²	96	35.3 Å²	35.3	45%	0.449	17%	0.169	S	C	.	.			trans	-67.6	174.7	173.3	-73.2	178.5	-12.1	0	0	112.8	D543 S546 Q576 R580	D543-Q553 HydrophobicContact CB-CB 4.49Å; D543-Q553 HydrophobicContact CB-CG 4.22Å; S546-Q553 PolarHBondContact OG-O 3.41Å; Q553-Q576 HydrophobicContact CB-CG 4.43Å; Q553-R580 PolarHBondContact O-NH2 2.62Å
554	L	68.8	Low	75.1	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.187	C	C	.	.			trans	-64.3	138.8	174.1	-71	179.7	0	0	0	110.7	L494 D495 N498 G542 D543 Q576	L494-L554 HydrophobicContact CB-CD2 3.83Å; L494-L554 HydrophobicContact CD2-CD2 3.83Å; L494-L554 HydrophobicContact CG-CD2 3.87Å; D495-L554 WeakPolarHBondContact OD1-CB 3.46Å; D495-L554 VanDerWaalsContact OD1-CD2 3.32Å; D495-L554 WeakPolarHBondContact OD1-CD2 3.5Å; N498-L554 HydrophobicContact CB-CD1 4.4Å; G542-L554 VanDerWaalsContact C-CG 3.49Å; G542-L554 WeakPolarHBondContact O-CG 3.34Å; D543-L554 WeakPolarHBondContact OD1-CB 3.46Å; D543-L554 PolarHBondContact OD1-N 3.33Å; L554-Q576 PolarHBondContact O-NE2 2.93Å; L554-Q576 VanDerWaalsContact O-NE2 3.15Å; L554-Q576 PolarHBondContact O-OE1 2.84Å
555	V	65	Low	73.7	Confident	11 Å²	11	39 Å²	39	7%	0.067	19%	0.191	C	C	.	.	S	Bend	trans	-90.3	-32.5	178.7	175.2	0	0	0	0	110.5	D495 D573 Q576	D495-V555 PolarHBondContact OD1-N 3.4Å; V555-D573 HydrophobicContact CG1-CB 4.19Å; V555-Q576 HydrophobicContact CG2-CB 3.99Å
556	H	68.6	Low	72.8	Confident	76 Å²	76	42.5 Å²	42.5	35%	0.352	21%	0.214	S	C	.	.	S	Bend	trans	-122.9	121.6	176	-62.5	-39.1	0	0	0	110.7	D495 T560 Y561	D495-H556 HydrophobicContact CB-CB 3.9Å; D495-H556 WeakPolarHBondContact CB-O 3.46Å; D495-H556 PolarHBondContact OD1-N 3.29Å; H556-T560 HydrophobicContact CB-CG2 4.36Å; H556-Y561 HydrophobicContact CB-CE2 4Å
557	R	75.1	Confident	71.2	Confident	36 Å²	36	53 Å²	53	14%	0.136	25%	0.253	C	S	.	.			trans	-92.9	168.5	179.3	-63.2	-179.8	-178.8	-93.7	-16.3	110.8	E539 D543 K559 T560 Y561	E539-R557 IonicContact OE2-CZ 2.71Å; E539-R557 IonicContact OE2-NH1 2.74Å; E539-R557 PolarHBondContact OE2-NH1 3.11Å; D543-R557 IonicContact OD1-NH2 3.9Å; D543-R557 PolarHBondContact OD1-NH2 3.22Å; D543-R557 IonicContact OD2-CZ 3.18Å; D543-R557 IonicContact OD2-NH1 3.82Å; D543-R557 PolarHBondContact OD2-NH1 3.34Å; D543-R557 VanDerWaalsContact OD2-NH1 3.12Å; D543-R557 IonicContact OD2-NH2 2.74Å; D543-R557 PolarHBondContact OD2-NH2 2.9Å; R557-K559 PolarHBondContact O-N 3.02Å; R557-T560 PolarHBondContact N-OG1 3.39Å; R557-T560 WeakPolarHBondContact O-CA 3.46Å; R557-T560 WeakPolarHBondContact O-CB 3.28Å; R557-T560 PolarHBondContact O-N 2.86Å; R557-T560 PolarHBondContact O-OG1 3.41Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 3.16Å
558	V	69.7	Low	70.4	Confident	2 Å²	2	54 Å²	54	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-54.8	-42.1	172.7	177.8	0	0	0	0	110.6	F502 E535 T560 Y561 R562	F502-V558 HydrophobicContact CB-CG2 4.3Å; F502-V558 HydrophobicContact CD1-CG1 3.79Å; F502-V558 HydrophobicContact CD1-CG2 3.92Å; F502-V558 HydrophobicContact CE1-CG1 3.61Å; F502-V558 HydrophobicContact CE1-CG2 4.45Å; F502-V558 HydrophobicContact CG-CG2 4.04Å; F502-V558 HydrophobicContact CZ-CG1 4.32Å; E535-V558 HydrophobicContact CG-CB 4.18Å; E535-V558 HydrophobicContact CG-CG1 4.26Å; V558-T560 PolarHBondContact O-N 3.32Å; V558-Y561 PolarHBondContact O-N 3.09Å; V558-R562 HydrophobicContact CG1-CG 4.35Å; V558-R562 WeakPolarHBondContact O-CG 3.48Å; V558-R562 PolarHBondContact O-N 3.26Å
559	K	72.2	Confident	69.7	Low	72 Å²	72	54.4 Å²	54.4	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-56.4	-34.1	174.3	-62.9	177.5	-176.7	142.1	0	113.9	E535 E539 R557 R562 K563 I564 A565	E535-K559 WeakPolarHBondContact OE1-CG 3.38Å; E539-K559 WeakPolarHBondContact OE1-CE 3.31Å; E539-K559 IonicContact OE1-NZ 3.63Å; E539-K559 PolarHBondContact OE1-NZ 3.04Å; E539-K559 VanDerWaalsContact OE1-NZ 3.12Å; E539-K559 IonicContact OE2-NZ 3.46Å; R557-K559 PolarHBondContact O-N 3.02Å; K559-R562 PolarHBondContact O-N 3.48Å; K559-K563 PolarHBondContact O-N 3.15Å; K559-K563 VanDerWaalsContact O-N 3.15Å; K559-I564 PolarHBondContact O-N 2.96Å; K559-I564 VanDerWaalsContact O-N 3.07Å; K559-A565 PolarHBondContact O-N 3.22Å
560	T	69	Low	69.3	Low	41 Å²	41	58.5 Å²	58.5	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-46	175.2	-48.4	0	0	0	0	110.4	H556 R557 V558 R562 K563	H556-T560 HydrophobicContact CB-CG2 4.36Å; R557-T560 PolarHBondContact N-OG1 3.39Å; R557-T560 WeakPolarHBondContact O-CA 3.46Å; R557-T560 WeakPolarHBondContact O-CB 3.28Å; R557-T560 PolarHBondContact O-N 2.86Å; R557-T560 PolarHBondContact O-OG1 3.41Å; V558-T560 PolarHBondContact O-N 3.32Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.44Å; T560-K563 PolarHBondContact O-N 3.04Å; T560-K563 VanDerWaalsContact O-N 3.1Å
561	Y	67	Low	69.4	Low	26 Å²	26	62 Å²	62	10%	0.102	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-27.8	177	-67.8	-76.3	0	0	0	113.2	M422 T426 T499 H556 R557 V558 K563	M422-Y561 HydrophobicContact CE-CD1 3.62Å; M422-Y561 HydrophobicContact CE-CD2 4.22Å; M422-Y561 HydrophobicContact CE-CE1 3.49Å; M422-Y561 VanDerWaalsContact CE-CE1 3.49Å; M422-Y561 HydrophobicContact CE-CE2 4.12Å; M422-Y561 HydrophobicContact CE-CG 3.98Å; M422-Y561 HydrophobicContact SD-CE1 4.35Å; T426-Y561 HydrophobicContact CG2-CD1 4.32Å; T426-Y561 HydrophobicContact CG2-CE1 4.44Å; T499-Y561 HydrophobicContact CG2-CD2 3.92Å; T499-Y561 HydrophobicContact CG2-CE2 4.48Å; T499-Y561 HydrophobicContact CG2-CG 4.25Å; T499-Y561 VanDerWaalsContact OG1-CD2 3.31Å; T499-Y561 WeakPolarHBondContact OG1-CD2 3.38Å; T499-Y561 WeakPolarHBondContact OG1-CE2 3.36Å; H556-Y561 HydrophobicContact CB-CE2 4Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 3.16Å; V558-Y561 PolarHBondContact O-N 3.09Å; Y561-K563 PolarHBondContact O-N 3.29Å
562	R	71.2	Confident	69.4	Low	38 Å²	38	67 Å²	67	14%	0.143	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.2	170.6	-67.2	178.4	70.5	-169.4	-6	113.5	L434 D527 E535 V558 K559 T560 I564	L434-R562 HydrophobicContact CD1-CB 4.38Å; L434-R562 HydrophobicContact CD1-CG 3.54Å; D527-R562 IonicContact OD1-CZ 2.91Å; D527-R562 IonicContact OD1-NH1 3.16Å; D527-R562 IonicContact OD1-NH2 3.33Å; D527-R562 PolarHBondContact OD1-NH2 2.77Å; D527-R562 IonicContact OD2-NH2 2.71Å; D527-R562 PolarHBondContact OD2-NH2 3.07Å; E535-R562 IonicContact OE1-NH1 3.01Å; E535-R562 IonicContact OE2-NH1 2.88Å; E535-R562 PolarHBondContact OE2-NH1 2.86Å; V558-R562 HydrophobicContact CG1-CG 4.35Å; V558-R562 WeakPolarHBondContact O-CG 3.48Å; V558-R562 PolarHBondContact O-N 3.26Å; K559-R562 PolarHBondContact O-N 3.48Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.44Å; R562-I564 VanDerWaalsContact C-N 3.28Å; R562-I564 HydrophobicContact CB-CD1 3.88Å; R562-I564 HydrophobicContact CB-CG1 4.07Å; R562-I564 PolarHBondContact O-N 2.94Å
563	K	69.6	Low	69.4	Low	161 Å²	161	67.5 Å²	67.5	70%	0.7	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	31.2	-173.2	-53.7	178.6	-179.7	175.6	0	113.7	K559 T560 Y561	K559-K563 PolarHBondContact O-N 3.15Å; K559-K563 VanDerWaalsContact O-N 3.15Å; T560-K563 PolarHBondContact O-N 3.04Å; T560-K563 VanDerWaalsContact O-N 3.1Å; Y561-K563 PolarHBondContact O-N 3.29Å
564	I	68.1	Low	69.5	Low	91 Å²	91	68 Å²	68	47%	0.467	33%	0.334	S	S	.	.			trans	-111.8	0.4	179.9	-54.2	168.5	0	0	0	110.9	K559 R562	K559-I564 PolarHBondContact O-N 2.96Å; K559-I564 VanDerWaalsContact O-N 3.07Å; R562-I564 VanDerWaalsContact C-N 3.28Å; R562-I564 HydrophobicContact CB-CD1 3.88Å; R562-I564 HydrophobicContact CB-CG1 4.07Å; R562-I564 PolarHBondContact O-N 2.94Å
565	A	61.3	Low	69.9	Low	31 Å²	31	74 Å²	74	26%	0.256	36%	0.363	S	S	.	.			trans	-60.6	129.2	-178.6	0	0	0	0	0	111.8	K559	K559-A565 PolarHBondContact O-N 3.22Å
566	P	70.5	Confident	70.8	Confident	73 Å²	73	74 Å²	74	47%	0.474	36%	0.363	S	S	.	.			trans	-66.9	149.9	176.3	26.5	-32.5	0	0	0	111	T568 Q569	P566-T568 PolarHBondContact O-N 3.06Å; P566-T568 VanDerWaalsContact O-N 3.11Å; P566-Q569 WeakPolarHBondContact O-CB 3.15Å; P566-Q569 PolarHBondContact O-N 2.64Å
567	W	54	Low	71.4	Confident	227 Å²	227	73.9 Å²	73.9	86%	0.86	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.9	-178.2	-93.3	58.9	0	0	0	113.9	Q569 H570	W567-Q569 PolarHBondContact O-N 3.28Å; W567-Q569 VanDerWaalsContact O-N 3.09Å; W567-H570 PolarHBondContact O-N 2.81Å; W567-H570 VanDerWaalsContact O-N 3.14Å
568	T	66.9	Low	71.6	Confident	100 Å²	100	77.6 Å²	77.6	61%	0.613	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.6	175	55.4	0	0	0	0	113.7	P566 S571	P566-T568 PolarHBondContact O-N 3.06Å; P566-T568 VanDerWaalsContact O-N 3.11Å; T568-S571 PolarHBondContact O-OG 3.07Å
569	Q	69.3	Low	72.2	Confident	21 Å²	21	79.9 Å²	79.9	10%	0.098	41%	0.406	C	S	.	.	H	α-helix	trans	-74.3	-29.8	176.9	-170.7	60.2	24.3	0	0	111.9	P566 W567 S571 K572 D573	P566-Q569 WeakPolarHBondContact O-CB 3.15Å; P566-Q569 PolarHBondContact O-N 2.64Å; W567-Q569 PolarHBondContact O-N 3.28Å; W567-Q569 VanDerWaalsContact O-N 3.09Å; Q569-S571 VanDerWaalsContact C-N 3.32Å; Q569-S571 PolarHBondContact O-N 2.76Å; Q569-K572 WeakPolarHBondContact O-CB 3.42Å; Q569-K572 PolarHBondContact O-N 2.86Å; Q569-K572 VanDerWaalsContact O-N 3.09Å; Q569-D573 WeakPolarHBondContact CG-OD1 3.3Å; Q569-D573 PolarHBondContact NE2-OD1 3.05Å; Q569-D573 VanDerWaalsContact O-CG 3.28Å; Q569-D573 PolarHBondContact O-N 3.33Å
570	H	66.8	Low	72.6	Confident	108 Å²	108	77.9 Å²	77.9	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-38	-176.9	-74.4	-57.9	0	0	0	113.4	W567 D573 I574	W567-H570 PolarHBondContact O-N 2.81Å; W567-H570 VanDerWaalsContact O-N 3.14Å; H570-D573 PolarHBondContact O-N 2.94Å; H570-I574 WeakPolarHBondContact O-CG1 3.18Å; H570-I574 PolarHBondContact O-N 2.98Å
571	S	72	Confident	73.2	Confident	78 Å²	78	80.6 Å²	80.6	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-36.6	176.2	55.7	0	0	0	0	112.4	T568 Q569 I574 M575	T568-S571 PolarHBondContact O-OG 3.07Å; Q569-S571 VanDerWaalsContact C-N 3.32Å; Q569-S571 PolarHBondContact O-N 2.76Å; S571-I574 PolarHBondContact O-N 3.11Å; S571-M575 PolarHBondContact O-N 3.06Å; S571-M575 VanDerWaalsContact O-N 3.12Å
572	K	76.4	Confident	74	Confident	114 Å²	114	86.2 Å²	86.2	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-43.8	174.3	-67.3	-175.1	177.6	-177.9	0	111.4	Q569 I574 M575 Q576	Q569-K572 WeakPolarHBondContact O-CB 3.42Å; Q569-K572 PolarHBondContact O-N 2.86Å; Q569-K572 VanDerWaalsContact O-N 3.09Å; K572-I574 VanDerWaalsContact C-N 3.3Å; K572-I574 PolarHBondContact O-N 3.34Å; K572-M575 PolarHBondContact O-N 3.46Å; K572-Q576 VanDerWaalsContact O-CG 3.32Å; K572-Q576 WeakPolarHBondContact O-CG 3.46Å; K572-Q576 PolarHBondContact O-N 2.99Å
573	D	78.1	Confident	74.6	Confident	14 Å²	14	84.9 Å²	84.9	8%	0.075	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-38.2	179.8	-64.2	-0.8	0	0	0	111.4	V555 Q569 H570 T577	V555-D573 HydrophobicContact CG1-CB 4.19Å; Q569-D573 WeakPolarHBondContact CG-OD1 3.3Å; Q569-D573 PolarHBondContact NE2-OD1 3.05Å; Q569-D573 VanDerWaalsContact O-CG 3.28Å; Q569-D573 PolarHBondContact O-N 3.33Å; H570-D573 PolarHBondContact O-N 2.94Å; D573-T577 WeakPolarHBondContact O-CB 3.38Å; D573-T577 PolarHBondContact O-N 3.46Å; D573-T577 PolarHBondContact O-OG1 3.34Å
574	I	79.3	Confident	75.1	Confident	107 Å²	107	79 Å²	79	55%	0.549	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-49.4	173.6	-67.3	165.7	0	0	0	110.5	H570 S571 K572 Q576 T577 L578	H570-I574 WeakPolarHBondContact O-CG1 3.18Å; H570-I574 PolarHBondContact O-N 2.98Å; S571-I574 PolarHBondContact O-N 3.11Å; K572-I574 VanDerWaalsContact C-N 3.3Å; K572-I574 PolarHBondContact O-N 3.34Å; I574-Q576 VanDerWaalsContact C-N 3.32Å; I574-Q576 PolarHBondContact O-N 2.71Å; I574-T577 WeakPolarHBondContact O-CB 3.43Å; I574-T577 PolarHBondContact O-N 2.8Å; I574-T577 VanDerWaalsContact O-N 3.16Å; I574-L578 HydrophobicContact CG2-CD1 4.24Å; I574-L578 WeakPolarHBondContact O-CG 3.39Å; I574-L578 PolarHBondContact O-N 2.93Å
575	M	78.8	Confident	75.6	Confident	126 Å²	126	76.7 Å²	76.7	62%	0.621	39%	0.392	S	S	*	.	H	α-helix	trans	-60.5	-41.6	179.9	-174.4	-178.4	69.5	0	0	112.1	S571 K572 T577 L578 S579	S571-M575 PolarHBondContact O-N 3.06Å; S571-M575 VanDerWaalsContact O-N 3.12Å; K572-M575 PolarHBondContact O-N 3.46Å; M575-T577 VanDerWaalsContact C-N 3.35Å; M575-L578 PolarHBondContact O-N 3.06Å; M575-S579 WeakPolarHBondContact O-CB 3.43Å; M575-S579 PolarHBondContact O-N 2.94Å
576	Q	82.3	Confident	76.6	Confident	12 Å²	12	80.8 Å²	80.8	6%	0.056	40%	0.404	C	S	.	.	H	α-helix	trans	-65.8	-38.1	176.5	-71.3	167.3	-25.1	0	0	111.9	Q553 L554 V555 K572 I574 L578 S579 R580	Q553-Q576 HydrophobicContact CB-CG 4.43Å; L554-Q576 PolarHBondContact O-NE2 2.93Å; L554-Q576 VanDerWaalsContact O-NE2 3.15Å; L554-Q576 PolarHBondContact O-OE1 2.84Å; V555-Q576 HydrophobicContact CG2-CB 3.99Å; K572-Q576 VanDerWaalsContact O-CG 3.32Å; K572-Q576 WeakPolarHBondContact O-CG 3.46Å; K572-Q576 PolarHBondContact O-N 2.99Å; I574-Q576 VanDerWaalsContact C-N 3.32Å; I574-Q576 PolarHBondContact O-N 2.71Å; Q576-L578 VanDerWaalsContact C-N 3.34Å; Q576-S579 PolarHBondContact O-N 3.31Å; Q576-R580 WeakPolarHBondContact O-CB 3.48Å; Q576-R580 PolarHBondContact O-N 2.81Å
577	T	81.3	Confident	77.3	Confident	74 Å²	74	78.8 Å²	78.8	45%	0.454	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-42.2	175.3	-58.8	0	0	0	0	111.3	D573 I574 M575 R580 Y581	D573-T577 WeakPolarHBondContact O-CB 3.38Å; D573-T577 PolarHBondContact O-N 3.46Å; D573-T577 PolarHBondContact O-OG1 3.34Å; I574-T577 WeakPolarHBondContact O-CB 3.43Å; I574-T577 PolarHBondContact O-N 2.8Å; I574-T577 VanDerWaalsContact O-N 3.16Å; M575-T577 VanDerWaalsContact C-N 3.35Å; T577-R580 WeakPolarHBondContact O-CB 3.48Å; T577-R580 PolarHBondContact O-N 3.46Å; T577-Y581 PolarHBondContact O-N 3.29Å
578	L	80.4	Confident	78.8	Confident	113 Å²	113	68.2 Å²	68.2	59%	0.592	35%	0.352	S	S	*	.	H	α-helix	trans	-65.6	-45.7	175	-68.9	172.5	0	0	0	112	I574 M575 Q576 R580 Y581 Y582	I574-L578 HydrophobicContact CG2-CD1 4.24Å; I574-L578 WeakPolarHBondContact O-CG 3.39Å; I574-L578 PolarHBondContact O-N 2.93Å; M575-L578 PolarHBondContact O-N 3.06Å; Q576-L578 VanDerWaalsContact C-N 3.34Å; L578-R580 VanDerWaalsContact C-N 3.27Å; L578-R580 PolarHBondContact O-N 3.43Å; L578-Y581 PolarHBondContact O-N 3.3Å; L578-Y582 PolarHBondContact O-N 3.15Å
579	S	82.1	Confident	79.8	Confident	51 Å²	51	66.1 Å²	66.1	36%	0.357	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-40.8	174.9	169.4	0	0	0	0	111.5	M575 Q576 Y582 S583	M575-S579 WeakPolarHBondContact O-CB 3.43Å; M575-S579 PolarHBondContact O-N 2.94Å; Q576-S579 PolarHBondContact O-N 3.31Å; S579-Y582 PolarHBondContact O-N 3.48Å; S579-S583 WeakPolarHBondContact O-CB 3.35Å; S579-S583 PolarHBondContact O-N 3.39Å; S579-S583 PolarHBondContact O-OG 2.66Å
580	R	80.6	Confident	80.7	Confident	30 Å²	30	69.6 Å²	69.6	11%	0.113	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-46.3	175.2	-167.8	173.7	-72.6	176.3	-5.4	111.9	D495 S546 S552 Q553 Q576 T577 L578 Y582 S583 N584	D495-R580 IonicContact OD2-NH1 2.66Å; S546-R580 PolarHBondContact OG-NH2 2.73Å; S552-R580 VanDerWaalsContact OG-CB 3.24Å; S552-R580 WeakPolarHBondContact OG-CB 3.47Å; S552-R580 WeakPolarHBondContact OG-CG 3.37Å; S552-R580 PolarHBondContact OG-NE 2.81Å; Q553-R580 PolarHBondContact O-NH2 2.62Å; Q576-R580 WeakPolarHBondContact O-CB 3.48Å; Q576-R580 PolarHBondContact O-N 2.81Å; T577-R580 WeakPolarHBondContact O-CB 3.48Å; T577-R580 PolarHBondContact O-N 3.46Å; L578-R580 VanDerWaalsContact C-N 3.27Å; L578-R580 PolarHBondContact O-N 3.43Å; R580-Y582 VanDerWaalsContact C-N 3.34Å; R580-S583 PolarHBondContact O-N 3.04Å; R580-N584 WeakPolarHBondContact O-CB 3.42Å; R580-N584 PolarHBondContact O-N 3.48Å; R580-N584 PolarHBondContact O-ND2 3.22Å; R580-N584 VanDerWaalsContact O-ND2 3.08Å; R580-N584 PolarHBondContact O-OD1 3.46Å
581	Y	81.1	Confident	81.8	Confident	97 Å²	97	68 Å²	68	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177	179.5	-99.8	0	0	0	111.5	M343 T577 L578 N584 A585	M343-Y581 HydrophobicContact CE-CE1 4.47Å; M343-Y581 WeakPolarHBondContact CE-OH 3.28Å; T577-Y581 PolarHBondContact O-N 3.29Å; L578-Y581 PolarHBondContact O-N 3.3Å; Y581-N584 PolarHBondContact O-N 3.3Å; Y581-A585 WeakPolarHBondContact O-CB 3.47Å; Y581-A585 PolarHBondContact O-N 2.77Å
582	Y	83.9	Confident	82.8	Confident	145 Å²	145	64.4 Å²	64.4	57%	0.569	33%	0.329	S	S	*	.	H	α-helix	trans	-60.4	-48	176.5	-179.2	-93.3	0	0	0	112	L578 S579 R580 N584 A585 F586	L578-Y582 PolarHBondContact O-N 3.15Å; S579-Y582 PolarHBondContact O-N 3.48Å; R580-Y582 VanDerWaalsContact C-N 3.34Å; Y582-N584 PolarHBondContact O-N 3.47Å; Y582-A585 PolarHBondContact O-N 3.36Å; Y582-F586 AromaticContact CD2-CD2 3.62Å; Y582-F586 HydrophobicContact CD2-CD2 3.62Å; Y582-F586 HydrophobicContact CD2-CE2 4.18Å; Y582-F586 HydrophobicContact CE2-CB 4.39Å; Y582-F586 AromaticContact CE2-CD2 3.76Å; Y582-F586 HydrophobicContact CE2-CD2 3.76Å; Y582-F586 HydrophobicContact CE2-CE2 4.42Å; Y582-F586 HydrophobicContact CE2-CG 4.29Å; Y582-F586 HydrophobicContact CG-CD2 4.27Å; Y582-F586 PolarHBondContact O-N 2.9Å
583	S	82.9	Confident	83.5	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.063	31%	0.312	C	S	.	.	I	π-helix	trans	-59.1	-48.4	178	-70.1	0	0	0	0	111.8	G551 S579 R580 A585 S587 D588	G551-S583 PolarHBondContact O-OG 3.3Å; G551-S583 VanDerWaalsContact O-OG 3.05Å; S579-S583 WeakPolarHBondContact O-CB 3.35Å; S579-S583 PolarHBondContact O-N 3.39Å; S579-S583 PolarHBondContact O-OG 2.66Å; R580-S583 PolarHBondContact O-N 3.04Å; S583-A585 VanDerWaalsContact C-N 3.29Å; S583-A585 PolarHBondContact O-N 2.82Å; S583-S587 CarbonylContact O-C 3.53Å; S583-S587 WeakPolarHBondContact O-CA 3.4Å; S583-S587 PolarHBondContact O-N 3.04Å; S583-D588 WeakPolarHBondContact O-CB 3.4Å; S583-D588 PolarHBondContact O-N 2.81Å
584	N	81.1	Confident	84.3	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	31%	0.309	C	S	.	.	I	π-helix	trans	-61	-36.2	179.2	-65.1	-22.9	0	0	0	112.9	F288 R580 Y581 Y582 D588	F288-N584 HydrophobicContact CD2-CB 3.91Å; F288-N584 HydrophobicContact CE2-CB 3.76Å; F288-N584 VanDerWaalsContact CE2-CG 3.42Å; F288-N584 WeakPolarHBondContact CE2-ND2 3.48Å; R580-N584 WeakPolarHBondContact O-CB 3.42Å; R580-N584 PolarHBondContact O-N 3.48Å; R580-N584 PolarHBondContact O-ND2 3.22Å; R580-N584 VanDerWaalsContact O-ND2 3.08Å; R580-N584 PolarHBondContact O-OD1 3.46Å; Y581-N584 PolarHBondContact O-N 3.3Å; Y582-N584 PolarHBondContact O-N 3.47Å; N584-D588 PolarHBondContact OD1-OD2 3.38Å
585	A	79.4	Confident	85	Confident	44 Å²	44	55 Å²	55	36%	0.364	29%	0.285	S	S	.	.	I	π-helix	trans	-84.3	-34	-176.1	0	0	0	0	0	113.4	Y581 Y582 S583	Y581-A585 WeakPolarHBondContact O-CB 3.47Å; Y581-A585 PolarHBondContact O-N 2.77Å; Y582-A585 PolarHBondContact O-N 3.36Å; S583-A585 VanDerWaalsContact C-N 3.29Å; S583-A585 PolarHBondContact O-N 2.82Å
586	F	81.4	Confident	85.7	Confident	116 Å²	116	49 Å²	49	51%	0.509	26%	0.255	S	S	.	.	I	π-helix	trans	-126.8	-21.9	-166.7	-59.9	-72.9	0	0	0	115.4	M343 Y582	M343-F586 HydrophobicContact CE-CE2 4.4Å; M343-F586 HydrophobicContact CE-CZ 3.97Å; Y582-F586 AromaticContact CD2-CD2 3.62Å; Y582-F586 HydrophobicContact CD2-CD2 3.62Å; Y582-F586 HydrophobicContact CD2-CE2 4.18Å; Y582-F586 HydrophobicContact CE2-CB 4.39Å; Y582-F586 AromaticContact CE2-CD2 3.76Å; Y582-F586 HydrophobicContact CE2-CD2 3.76Å; Y582-F586 HydrophobicContact CE2-CE2 4.42Å; Y582-F586 HydrophobicContact CE2-CG 4.29Å; Y582-F586 HydrophobicContact CG-CD2 4.27Å; Y582-F586 PolarHBondContact O-N 2.9Å
587	S	84.8	Confident	86.3	Confident	32 Å²	32	48.5 Å²	48.5	22%	0.224	25%	0.253	C	S	.	.	I	π-helix	trans	-111.6	-25	-174.5	178.4	0	0	0	0	113.4	S583 A589 D590 R591	S583-S587 CarbonylContact O-C 3.53Å; S583-S587 WeakPolarHBondContact O-CA 3.4Å; S583-S587 PolarHBondContact O-N 3.04Å; S587-A589 VanDerWaalsContact C-N 3.34Å; S587-A589 PolarHBondContact O-N 2.98Å; S587-D590 PolarHBondContact O-N 3.01Å; S587-R591 WeakPolarHBondContact O-CB 3Å; S587-R591 PolarHBondContact O-N 2.93Å; S587-R591 PolarHBondContact OG-NH1 3.49Å; S587-R591 VanDerWaalsContact OG-NH1 3.14Å
588	D	86.3	Confident	87	Confident	4 Å²	4	45 Å²	45	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-30.7	-170.3	-89.4	12.5	0	0	0	113.5	T286 S583 N584 R591 Q592	T286-D588 HydrophobicContact CG2-CB 4.08Å; T286-D588 WeakPolarHBondContact CG2-O 3.45Å; T286-D588 PolarHBondContact OG1-O 2.83Å; S583-D588 WeakPolarHBondContact O-CB 3.4Å; S583-D588 PolarHBondContact O-N 2.81Å; N584-D588 PolarHBondContact OD1-OD2 3.38Å; D588-R591 IonicContact OD1-NH1 3.39Å; D588-Q592 WeakPolarHBondContact O-CB 3.43Å; D588-Q592 PolarHBondContact O-N 3.42Å
589	A	87.5	Confident	87.6	Confident	56 Å²	56	40.4 Å²	40.4	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-54.1	174.4	0	0	0	0	0	111.2	S587 R591 Q592 D593	S587-A589 VanDerWaalsContact C-N 3.34Å; S587-A589 PolarHBondContact O-N 2.98Å; A589-R591 PolarHBondContact O-N 2.97Å; A589-Q592 WeakPolarHBondContact O-CB 3.48Å; A589-Q592 PolarHBondContact O-N 2.82Å; A589-D593 PolarHBondContact O-N 2.95Å
590	D	89.3	Confident	88.1	Confident	94 Å²	94	39.2 Å²	39.2	50%	0.503	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-36.6	177.7	-66.1	-22	0	0	0	112.3	S587 A594	S587-D590 PolarHBondContact O-N 3.01Å; D590-A594 WeakPolarHBondContact O-CB 3.02Å; D590-A594 PolarHBondContact O-N 2.79Å; D590-A594 VanDerWaalsContact O-N 3.07Å
591	R	89.3	Confident	88.6	Confident	76 Å²	76	40.3 Å²	40.3	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-72.1	-34.7	177.4	-164.9	-175.8	-90.8	115.2	-2.6	111.5	T286 S587 D588 A589 A594 I595	T286-R591 HydrophobicContact CG2-CB 4.07Å; T286-R591 HydrophobicContact CG2-CG 4.31Å; S587-R591 WeakPolarHBondContact O-CB 3Å; S587-R591 PolarHBondContact O-N 2.93Å; S587-R591 PolarHBondContact OG-NH1 3.49Å; S587-R591 VanDerWaalsContact OG-NH1 3.14Å; D588-R591 IonicContact OD1-NH1 3.39Å; A589-R591 PolarHBondContact O-N 2.97Å; R591-A594 WeakPolarHBondContact O-CB 3.25Å; R591-A594 PolarHBondContact O-N 2.76Å; R591-I595 VanDerWaalsContact O-CG1 3.3Å; R591-I595 WeakPolarHBondContact O-CG1 3.5Å; R591-I595 PolarHBondContact O-N 3.13Å; R591-I595 VanDerWaalsContact O-N 3.09Å
592	Q	91.8	Very high	89.2	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-43.6	173.1	-175.2	62.5	49.3	0	0	111.1	A284 T286 L289 D588 A589 A594 I595 N596 D617	A284-Q592 PolarHBondContact O-NE2 3.26Å; T286-Q592 HydrophobicContact CG2-CB 4.48Å; L289-Q592 HydrophobicContact CB-CG 4.42Å; L289-Q592 HydrophobicContact CD1-CB 3.64Å; L289-Q592 HydrophobicContact CD1-CG 4.02Å; D588-Q592 WeakPolarHBondContact O-CB 3.43Å; D588-Q592 PolarHBondContact O-N 3.42Å; A589-Q592 WeakPolarHBondContact O-CB 3.48Å; A589-Q592 PolarHBondContact O-N 2.82Å; Q592-A594 VanDerWaalsContact C-N 3.29Å; Q592-A594 PolarHBondContact O-N 3.24Å; Q592-I595 PolarHBondContact O-N 3.34Å; Q592-I595 VanDerWaalsContact O-N 3.15Å; Q592-N596 PolarHBondContact NE2-OD1 2.83Å; Q592-N596 VanDerWaalsContact O-CG 3.25Å; Q592-N596 PolarHBondContact O-N 2.74Å; Q592-D617 VanDerWaalsContact CG-OD2 3.25Å; Q592-D617 WeakPolarHBondContact CG-OD2 3.48Å
593	D	92.7	Very high	89.5	Confident	28 Å²	28	33.7 Å²	33.7	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-43.3	176.1	-79.2	-4	0	0	0	111.7	I152 A589 I595 N596 L597 L611	I152-D593 HydrophobicContact CG2-CB 4.09Å; A589-D593 PolarHBondContact O-N 2.95Å; D593-I595 PolarHBondContact O-N 3.2Å; D593-N596 PolarHBondContact O-N 3.29Å; D593-L597 WeakPolarHBondContact O-CB 3.49Å; D593-L597 PolarHBondContact O-N 3.23Å; D593-L611 HydrophobicContact CB-CD2 3.51Å; D593-L611 HydrophobicContact CB-CG 4.11Å; D593-L611 WeakPolarHBondContact O-CD2 3.27Å
594	A	93.9	Very high	89.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-44.6	174.5	0	0	0	0	0	112.4	I152 N155 V156 D590 R591 Q592 L597 F598	I152-A594 HydrophobicContact CG2-CB 4.3Å; I152-A594 WeakPolarHBondContact O-CB 3.45Å; N155-A594 HydrophobicContact CB-CB 3.79Å; V156-A594 HydrophobicContact CG2-CB 3.69Å; V156-A594 WeakPolarHBondContact CG2-O 3.49Å; D590-A594 WeakPolarHBondContact O-CB 3.02Å; D590-A594 PolarHBondContact O-N 2.79Å; D590-A594 VanDerWaalsContact O-N 3.07Å; R591-A594 WeakPolarHBondContact O-CB 3.25Å; R591-A594 PolarHBondContact O-N 2.76Å; Q592-A594 VanDerWaalsContact C-N 3.29Å; Q592-A594 PolarHBondContact O-N 3.24Å; A594-L597 PolarHBondContact O-N 3.12Å; A594-F598 VanDerWaalsContact O-CB 3.3Å; A594-F598 WeakPolarHBondContact O-CB 3.46Å; A594-F598 PolarHBondContact O-N 3.24Å
595	I	93.4	Very high	90.3	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-44.9	176.7	-68.8	165.6	0	0	0	110.9	A284 R591 Q592 D593 L597 F598 L599	A284-I595 HydrophobicContact CB-CG2 4.33Å; R591-I595 VanDerWaalsContact O-CG1 3.3Å; R591-I595 WeakPolarHBondContact O-CG1 3.5Å; R591-I595 PolarHBondContact O-N 3.13Å; R591-I595 VanDerWaalsContact O-N 3.09Å; Q592-I595 PolarHBondContact O-N 3.34Å; Q592-I595 VanDerWaalsContact O-N 3.15Å; D593-I595 PolarHBondContact O-N 3.2Å; I595-L597 VanDerWaalsContact C-N 3.29Å; I595-L597 PolarHBondContact O-N 3.39Å; I595-F598 PolarHBondContact O-N 3.27Å; I595-L599 HydrophobicContact CG2-CD1 3.64Å; I595-L599 HydrophobicContact CG2-CG 4.26Å; I595-L599 WeakPolarHBondContact O-CB 3.24Å; I595-L599 WeakPolarHBondContact O-CG 3.27Å; I595-L599 PolarHBondContact O-N 3.34Å
596	N	94.1	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-39.1	-179.5	-70.7	-13.7	0	0	0	111.7	Q592 D593 Q600 V601 Y602 D617 H621	Q592-N596 PolarHBondContact NE2-OD1 2.83Å; Q592-N596 VanDerWaalsContact O-CG 3.25Å; Q592-N596 PolarHBondContact O-N 2.74Å; D593-N596 PolarHBondContact O-N 3.29Å; N596-Q600 PolarHBondContact O-N 2.97Å; N596-V601 PolarHBondContact O-N 3.15Å; N596-Y602 PolarHBondContact O-N 3.32Å; N596-D617 PolarHBondContact ND2-OD2 2.67Å; N596-H621 PolarHBondContact OD1-CE1 3.05Å; N596-H621 VanDerWaalsContact OD1-CE1 3.25Å; N596-H621 PolarHBondContact OD1-NE2 3.2Å
597	L	94.9	Very high	90.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.5	-44.3	175.9	-171	64.1	0	0	0	111.9	F100 Y149 I152 F153 D593 A594 I595 Q600 P604	F100-L597 HydrophobicContact CD1-CD1 4.26Å; F100-L597 HydrophobicContact CD1-CD2 4.37Å; F100-L597 HydrophobicContact CE1-CD1 4.15Å; F100-L597 HydrophobicContact CE1-CD2 3.79Å; F100-L597 HydrophobicContact CE1-CG 4.05Å; Y149-L597 HydrophobicContact CD1-CD1 4.04Å; Y149-L597 HydrophobicContact CD1-CD2 3.92Å; Y149-L597 HydrophobicContact CE1-CD1 4.47Å; Y149-L597 WeakPolarHBondContact O-CD2 3.1Å; I152-L597 HydrophobicContact CB-CD2 4.24Å; I152-L597 HydrophobicContact CG2-CD2 3.96Å; F153-L597 HydrophobicContact CB-CD2 3.85Å; F153-L597 HydrophobicContact CD2-CD2 4.4Å; F153-L597 HydrophobicContact CD2-CG 4.27Å; D593-L597 WeakPolarHBondContact O-CB 3.49Å; D593-L597 PolarHBondContact O-N 3.23Å; A594-L597 PolarHBondContact O-N 3.12Å; I595-L597 VanDerWaalsContact C-N 3.29Å; I595-L597 PolarHBondContact O-N 3.39Å; L597-Q600 PolarHBondContact O-N 2.94Å; L597-Q600 VanDerWaalsContact O-N 3.16Å; L597-Q600 PolarHBondContact O-NE2 2.86Å; L597-P604 HydrophobicContact CD1-CG 3.68Å
598	F	95.4	Very high	90.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-44.8	180	-177.2	-90.5	0	0	0	112.5	V95 F153 V156 L158 W234 L238 I254 A594 I595 Q600	V95-F598 HydrophobicContact CG1-CE2 4.39Å; V95-F598 HydrophobicContact CG1-CZ 4.28Å; F153-F598 HydrophobicContact CD2-CD2 4.45Å; F153-F598 HydrophobicContact CE1-CD2 4.41Å; F153-F598 HydrophobicContact CE2-CB 4.31Å; F153-F598 AromaticContact CE2-CD2 3.65Å; F153-F598 HydrophobicContact CE2-CD2 3.65Å; F153-F598 HydrophobicContact CE2-CE2 4.41Å; F153-F598 HydrophobicContact CE2-CG 4.38Å; F153-F598 AromaticContact CZ-CD2 3.62Å; F153-F598 HydrophobicContact CZ-CD2 3.62Å; F153-F598 AromaticContact CZ-CE2 3.98Å; F153-F598 HydrophobicContact CZ-CE2 3.98Å; V156-F598 HydrophobicContact CB-CD2 4.43Å; V156-F598 HydrophobicContact CG1-CD2 4.26Å; V156-F598 HydrophobicContact CG1-CG 4.34Å; V156-F598 HydrophobicContact CG2-CB 3.87Å; V156-F598 HydrophobicContact CG2-CG 4.32Å; L158-F598 HydrophobicContact CD1-CE2 4.43Å; L158-F598 HydrophobicContact CD2-CE2 3.69Å; L158-F598 HydrophobicContact CD2-CZ 3.86Å; W234-F598 HydrophobicContact CB-CE1 4.22Å; W234-F598 HydrophobicContact CE3-CD1 4.04Å; W234-F598 HydrophobicContact CE3-CE1 4.02Å; W234-F598 WeakPolarHBondContact O-CE1 3.29Å; L238-F598 HydrophobicContact CD1-CD2 4.22Å; L238-F598 HydrophobicContact CD1-CE1 4.36Å; L238-F598 HydrophobicContact CD1-CE2 3.71Å; L238-F598 HydrophobicContact CD1-CZ 3.8Å; I254-F598 HydrophobicContact CD1-CZ 4.41Å; A594-F598 VanDerWaalsContact O-CB 3.3Å; A594-F598 WeakPolarHBondContact O-CB 3.46Å; A594-F598 PolarHBondContact O-N 3.24Å; I595-F598 PolarHBondContact O-N 3.27Å; F598-Q600 PolarHBondContact O-N 3.39Å
599	L	94.3	Very high	90.9	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.094	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1	177.9	-64.9	178.4	0	0	0	113.3	W234 S281 A284 I595 V601	W234-L599 HydrophobicContact CD2-CD2 4.23Å; W234-L599 HydrophobicContact CE3-CD2 3.88Å; W234-L599 HydrophobicContact CZ3-CD2 4.29Å; W234-L599 HydrophobicContact CZ3-CG 4.5Å; W234-L599 WeakPolarHBondContact O-CD2 3.33Å; S281-L599 VanDerWaalsContact O-CD1 3.29Å; S281-L599 WeakPolarHBondContact O-CD1 3.49Å; A284-L599 HydrophobicContact CB-CD1 4.05Å; I595-L599 HydrophobicContact CG2-CD1 3.64Å; I595-L599 HydrophobicContact CG2-CG 4.26Å; I595-L599 WeakPolarHBondContact O-CB 3.24Å; I595-L599 WeakPolarHBondContact O-CG 3.27Å; I595-L599 PolarHBondContact O-N 3.34Å; L599-V601 HydrophobicContact CB-CG2 3.97Å; L599-V601 PolarHBondContact O-N 3.32Å
600	Q	93	Very high	91	Very high	25 Å²	25	41.6 Å²	41.6	12%	0.117	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	29	-178	-58.7	-72.1	-64.9	0	0	113.4	K237 L238 N596 L597 F598 Y602 Q603	K237-Q600 HydrophobicContact CB-CB 3.84Å; K237-Q600 HydrophobicContact CB-CG 3.97Å; K237-Q600 HydrophobicContact CG-CB 4.46Å; L238-Q600 HydrophobicContact CD2-CG 3.8Å; N596-Q600 PolarHBondContact O-N 2.97Å; L597-Q600 PolarHBondContact O-N 2.94Å; L597-Q600 VanDerWaalsContact O-N 3.16Å; L597-Q600 PolarHBondContact O-NE2 2.86Å; F598-Q600 PolarHBondContact O-N 3.39Å; Q600-Y602 VanDerWaalsContact C-N 3.3Å; Q600-Q603 HydrophobicContact CB-CG 4.34Å
601	V	91.1	Very high	91	Very high	53 Å²	53	37.3 Å²	37.3	32%	0.321	21%	0.212	S	C	.	.	S	Bend	trans	-67.6	-39.1	169.7	-175.6	0	0	0	0	109.1	N596 L599 L620	N596-V601 PolarHBondContact O-N 3.15Å; L599-V601 HydrophobicContact CB-CG2 3.97Å; L599-V601 PolarHBondContact O-N 3.32Å; V601-L620 HydrophobicContact CG1-CB 3.9Å; V601-L620 WeakPolarHBondContact CG1-O 3.39Å
602	Y	92.1	Very high	91	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	21%	0.208	C	C	.	.	S	Bend	trans	-108.4	127.8	166.5	-176.4	-93	0	0	0	110	Y149 N596 Q600 P604 A609 H610 L611 L614 L620	Y149-Y602 HydrophobicContact CE1-CD1 4.43Å; Y149-Y602 AromaticContact CE1-CE1 3.92Å; Y149-Y602 HydrophobicContact CE1-CE1 3.92Å; Y149-Y602 PolarHBondContact OH-OH 3.03Å; N596-Y602 PolarHBondContact O-N 3.32Å; Q600-Y602 VanDerWaalsContact C-N 3.3Å; Y602-P604 HydrophobicContact CD1-CG 4.3Å; Y602-P604 HydrophobicContact CE1-CB 4.33Å; Y602-P604 HydrophobicContact CE1-CG 4.07Å; Y602-A609 PolarHBondContact OH-O 3.29Å; Y602-H610 WeakPolarHBondContact OH-CA 3.31Å; Y602-L611 HydrophobicContact CD1-CB 4.26Å; Y602-L611 HydrophobicContact CD1-CD1 4.38Å; Y602-L611 HydrophobicContact CD2-CD1 4.25Å; Y602-L611 HydrophobicContact CE1-CB 4.17Å; Y602-L611 HydrophobicContact CG-CD1 4.01Å; Y602-L614 HydrophobicContact CD2-CD1 4.49Å; Y602-L614 HydrophobicContact CE2-CD1 4.39Å; Y602-L620 HydrophobicContact CD2-CD1 4.14Å; Y602-L620 HydrophobicContact CD2-CD2 4.05Å
603	Q	91.2	Very high	90.8	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	23%	0.232	S	C	.	.			trans	-113.7	116.8	173.9	-66.4	-175.3	12.5	0	0	109.1	Q600 S605	Q600-Q603 HydrophobicContact CB-CG 4.34Å; Q603-S605 PolarHBondContact O-N 3.47Å
604	P	91.8	Very high	90.5	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.071	24%	0.239	C	C	.	.			trans	-60.9	134	178.4	-22.7	34.2	0	0	0	111.3	F100 L101 Y149 L597 Y602	F100-P604 HydrophobicContact CD1-CG 4.3Å; L101-P604 HydrophobicContact CD2-CB 3.82Å; L101-P604 HydrophobicContact CG-CB 4.25Å; Y149-P604 HydrophobicContact CD1-CB 4.4Å; Y149-P604 HydrophobicContact CD1-CG 3.66Å; Y149-P604 HydrophobicContact CD2-CB 4.32Å; Y149-P604 HydrophobicContact CD2-CG 4.37Å; Y149-P604 HydrophobicContact CE1-CB 4.11Å; Y149-P604 HydrophobicContact CE1-CG 3.59Å; Y149-P604 HydrophobicContact CE2-CB 4.04Å; Y149-P604 HydrophobicContact CE2-CG 4.32Å; Y149-P604 HydrophobicContact CG-CG 4.07Å; L597-P604 HydrophobicContact CD1-CG 3.68Å; Y602-P604 HydrophobicContact CD1-CG 4.3Å; Y602-P604 HydrophobicContact CE1-CB 4.33Å; Y602-P604 HydrophobicContact CE1-CG 4.07Å
605	S	89.5	Confident	89.9	Confident	35 Å²	35	48.7 Å²	48.7	25%	0.245	28%	0.277	C	S	.	.			trans	-149.5	146.8	175	63.3	0	0	0	0	110.8	Q603 G607 K608	Q603-S605 PolarHBondContact O-N 3.47Å; S605-G607 PolarHBondContact O-N 3.48Å; S605-K608 PolarHBondContact O-N 2.82Å; S605-K608 WeakPolarHBondContact OG-CD 3.46Å; S605-K608 WeakPolarHBondContact OG-CE 3.39Å; S605-K608 VanDerWaalsContact OG-CG 3.26Å; S605-K608 WeakPolarHBondContact OG-CG 3.46Å
606	E	85.1	Confident	89.4	Confident	114 Å²	114	51.7 Å²	51.7	53%	0.533	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	127.7	173.9	-67.7	169.4	-174	0	0	109.9	K46	K46-E606 VanDerWaalsContact NZ-CD 3.3Å; K46-E606 IonicContact NZ-OE1 3.09Å; K46-E606 PolarHBondContact NZ-OE1 3.2Å; K46-E606 IonicContact NZ-OE2 2.73Å; K46-E606 PolarHBondContact NZ-OE2 2.97Å
607	G	83.1	Confident	88.9	Confident	90 Å²	90	52.7 Å²	52.7	93%	0.928	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-3	178.7	0	0	0	0	0	116.6	S605	S605-G607 PolarHBondContact O-N 3.48Å
608	K	86.9	Confident	88.3	Confident	131 Å²	131	56.5 Å²	56.5	57%	0.57	32%	0.318	S	S	*	.	S	Bend	trans	-98.1	145.8	167.6	-68	-173	-166.8	170.1	0	110.4	S605 H610	S605-K608 PolarHBondContact O-N 2.82Å; S605-K608 WeakPolarHBondContact OG-CD 3.46Å; S605-K608 WeakPolarHBondContact OG-CE 3.39Å; S605-K608 VanDerWaalsContact OG-CG 3.26Å; S605-K608 WeakPolarHBondContact OG-CG 3.46Å; K608-H610 PolarHBondContact O-N 2.96Å
609	A	88.6	Confident	87.7	Confident	54 Å²	54	65 Å²	65	45%	0.446	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-54.6	137.2	171.9	0	0	0	0	0	110.2	Y602 L614	Y602-A609 PolarHBondContact OH-O 3.29Å; A609-L614 HydrophobicContact CB-CD2 4.14Å
610	H	90.1	Very high	87.2	Confident	28 Å²	28	66.8 Å²	66.8	13%	0.13	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-72.9	157.5	-178	-65.9	-49.5	0	0	0	111.7	D145 Y149 Y602 K608 W612 E613 L614	D145-H610 IonicContact OD2-NE2 3.65Å; Y149-H610 AromaticContact CE2-ND1 3.93Å; Y149-H610 AromaticContact CZ-ND1 3.98Å; Y149-H610 WeakPolarHBondContact OH-CB 2.88Å; Y149-H610 PolarHBondContact OH-ND1 3.09Å; Y149-H610 VanDerWaalsContact OH-ND1 3.11Å; Y602-H610 WeakPolarHBondContact OH-CA 3.31Å; K608-H610 PolarHBondContact O-N 2.96Å; H610-W612 VanDerWaalsContact C-N 3.29Å; H610-W612 HydrophobicContact CB-CD2 3.9Å; H610-W612 HydrophobicContact CB-CE3 4.36Å; H610-W612 HydrophobicContact CB-CG 4.47Å; H610-W612 HydrophobicContact CB-CH2 3.99Å; H610-W612 HydrophobicContact CB-CZ2 3.48Å; H610-W612 VanDerWaalsContact CB-CZ2 3.48Å; H610-W612 HydrophobicContact CB-CZ3 4.4Å; H610-W612 AromaticContact CD2-CZ2 3.67Å; H610-W612 AromaticContact CG-CE2 3.93Å; H610-W612 AromaticContact CG-CZ2 3.51Å; H610-W612 PolarHBondContact O-N 3.41Å; H610-E613 HydrophobicContact CB-CG 4.11Å; H610-E613 IonicContact CD2-OE1 2.73Å; H610-E613 PolarHBondContact CD2-OE1 3.11Å; H610-E613 PolarHBondContact N-OE2 3.39Å; H610-E613 WeakPolarHBondContact O-CB 3.48Å; H610-E613 PolarHBondContact O-N 2.69Å; H610-L614 PolarHBondContact O-N 2.98Å
611	L	89.1	Confident	86.7	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-55.7	-43.3	-175.2	-172.8	61.1	0	0	0	112.8	Y149 D593 Y602 E613 L614 L620	Y149-L611 HydrophobicContact CE1-CB 4.39Å; Y149-L611 PolarHBondContact OH-N 3.05Å; D593-L611 HydrophobicContact CB-CD2 3.51Å; D593-L611 HydrophobicContact CB-CG 4.11Å; D593-L611 WeakPolarHBondContact O-CD2 3.27Å; Y602-L611 HydrophobicContact CD1-CB 4.26Å; Y602-L611 HydrophobicContact CD1-CD1 4.38Å; Y602-L611 HydrophobicContact CD2-CD1 4.25Å; Y602-L611 HydrophobicContact CE1-CB 4.17Å; Y602-L611 HydrophobicContact CG-CD1 4.01Å; L611-E613 PolarHBondContact O-N 2.7Å; L611-L614 HydrophobicContact CD1-CD1 4.3Å; L611-L614 WeakPolarHBondContact O-CB 3.48Å; L611-L614 PolarHBondContact O-N 2.75Å; L611-L620 HydrophobicContact CD1-CD1 4.04Å
612	W	87.9	Confident	86	Confident	55 Å²	55	65 Å²	65	21%	0.208	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-75.1	-6.4	178.3	55.2	79	0	0	0	114.9	D145 R148 Y149 I152 H610	D145-W612 HydrophobicContact CB-CH2 3.97Å; D145-W612 HydrophobicContact CB-CZ2 4.07Å; R148-W612 HydrophobicContact CB-CH2 4.15Å; R148-W612 HydrophobicContact CB-CZ3 4.26Å; R148-W612 HydrophobicContact CG-CE3 4.14Å; R148-W612 HydrophobicContact CG-CH2 4.01Å; R148-W612 HydrophobicContact CG-CZ3 3.76Å; R148-W612 VanDerWaalsContact NH1-NE1 3.1Å; Y149-W612 HydrophobicContact CD1-CZ3 4.21Å; Y149-W612 AromaticContact CD2-CH2 4Å; Y149-W612 HydrophobicContact CD2-CH2 4Å; Y149-W612 HydrophobicContact CD2-CZ3 4.18Å; Y149-W612 HydrophobicContact CE1-CH2 4.37Å; Y149-W612 AromaticContact CE1-CZ3 3.81Å; Y149-W612 HydrophobicContact CE1-CZ3 3.81Å; Y149-W612 AromaticContact CE2-CH2 3.46Å; Y149-W612 HydrophobicContact CE2-CH2 3.46Å; Y149-W612 VanDerWaalsContact CE2-CH2 3.46Å; Y149-W612 AromaticContact CE2-CZ3 3.76Å; Y149-W612 HydrophobicContact CE2-CZ3 3.76Å; Y149-W612 HydrophobicContact CG-CZ3 4.38Å; Y149-W612 AromaticContact CZ-CH2 3.67Å; Y149-W612 AromaticContact CZ-CZ3 3.56Å; I152-W612 HydrophobicContact CD1-CE3 3.73Å; I152-W612 HydrophobicContact CD1-CZ3 3.83Å; H610-W612 VanDerWaalsContact C-N 3.29Å; H610-W612 HydrophobicContact CB-CD2 3.9Å; H610-W612 HydrophobicContact CB-CE3 4.36Å; H610-W612 HydrophobicContact CB-CG 4.47Å; H610-W612 HydrophobicContact CB-CH2 3.99Å; H610-W612 HydrophobicContact CB-CZ2 3.48Å; H610-W612 VanDerWaalsContact CB-CZ2 3.48Å; H610-W612 HydrophobicContact CB-CZ3 4.4Å; H610-W612 AromaticContact CD2-CZ2 3.67Å; H610-W612 AromaticContact CG-CE2 3.93Å; H610-W612 AromaticContact CG-CZ2 3.51Å; H610-W612 PolarHBondContact O-N 3.41Å
613	E	88.7	Confident	84.8	Confident	109 Å²	109	72.7 Å²	72.7	51%	0.509	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-93.3	-15.8	173.9	-61.6	169.6	173.9	0	0	111.1	H610 L611	H610-E613 HydrophobicContact CB-CG 4.11Å; H610-E613 IonicContact CD2-OE1 2.73Å; H610-E613 PolarHBondContact CD2-OE1 3.11Å; H610-E613 PolarHBondContact N-OE2 3.39Å; H610-E613 WeakPolarHBondContact O-CB 3.48Å; H610-E613 PolarHBondContact O-N 2.69Å; L611-E613 PolarHBondContact O-N 2.7Å
614	L	86.5	Confident	83	Confident	57 Å²	57	72 Å²	72	30%	0.298	38%	0.383	S	S	.	.			trans	-72.2	126.3	178.7	-60.2	179.9	0	0	0	109.3	Y602 A609 H610 L611 T616 L620	Y602-L614 HydrophobicContact CD2-CD1 4.49Å; Y602-L614 HydrophobicContact CE2-CD1 4.39Å; A609-L614 HydrophobicContact CB-CD2 4.14Å; H610-L614 PolarHBondContact O-N 2.98Å; L611-L614 HydrophobicContact CD1-CD1 4.3Å; L611-L614 WeakPolarHBondContact O-CB 3.48Å; L611-L614 PolarHBondContact O-N 2.75Å; L614-T616 PolarHBondContact O-N 2.99Å; L614-L620 HydrophobicContact CD1-CD1 3.99Å; L614-L620 HydrophobicContact CD1-CD2 4.43Å; L614-L620 HydrophobicContact CD1-CG 4.4Å
615	P	81.3	Confident	81.1	Confident	124 Å²	124	75.2 Å²	75.2	81%	0.805	40%	0.403	S	S	*	.	S	Bend	trans	-69.5	-27.4	176.9	27.7	-34.3	0	0	0	111.8
616	T	82	Confident	79.1	Confident	74 Å²	74	81.8 Å²	81.8	45%	0.454	43%	0.432	S	S	.	.			trans	-147.1	146.6	176.6	68.9	0	0	0	0	109.9	L614 F618	L614-T616 PolarHBondContact O-N 2.99Å; T616-F618 VanDerWaalsContact C-N 3.31Å
617	D	83.2	Confident	77.5	Confident	20 Å²	20	80.4 Å²	80.4	11%	0.107	44%	0.44	C	S	.	.	S	Bend	trans	-90.4	2.8	173.6	73	-13.8	0	0	0	112.5	K290 Q592 N596 Y619 L620 H621	K290-D617 WeakPolarHBondContact CE-OD2 3.22Å; K290-D617 IonicContact NZ-OD1 3.18Å; K290-D617 PolarHBondContact NZ-OD1 3.21Å; K290-D617 IonicContact NZ-OD2 2.95Å; K290-D617 PolarHBondContact NZ-OD2 2.8Å; Q592-D617 VanDerWaalsContact CG-OD2 3.25Å; Q592-D617 WeakPolarHBondContact CG-OD2 3.48Å; N596-D617 PolarHBondContact ND2-OD2 2.67Å; D617-Y619 VanDerWaalsContact C-N 3.33Å; D617-Y619 PolarHBondContact O-N 3.12Å; D617-L620 HydrophobicContact CB-CD1 4.08Å; D617-L620 VanDerWaalsContact O-CB 3.25Å; D617-L620 WeakPolarHBondContact O-CB 3.37Å; D617-L620 PolarHBondContact O-N 3Å; D617-H621 PolarHBondContact O-CD2 3.2Å; D617-H621 VanDerWaalsContact O-CD2 3.31Å; D617-H621 IonicContact OD2-CD2 3.72Å; D617-H621 IonicContact OD2-NE2 2.72Å
618	F	83.3	Confident	76	Confident	80 Å²	80	79.2 Å²	79.2	35%	0.351	41%	0.412	S	S	.	.	H	α-helix	trans	-50.3	-48.3	-176.5	175.3	-95.5	0	0	0	113.2	Y335 T616 L620 H621 Q622	Y335-F618 HydrophobicContact CE1-CE2 4.38Å; Y335-F618 HydrophobicContact CE1-CZ 4.28Å; Y335-F618 AromaticContact CZ-CE2 3.99Å; Y335-F618 AromaticContact CZ-CZ 3.92Å; Y335-F618 VanDerWaalsContact OH-CE2 3.27Å; Y335-F618 WeakPolarHBondContact OH-CE2 3.11Å; Y335-F618 WeakPolarHBondContact OH-CZ 3.26Å; T616-F618 VanDerWaalsContact C-N 3.31Å; F618-L620 PolarHBondContact O-N 3.11Å; F618-H621 PolarHBondContact O-N 3.34Å; F618-H621 VanDerWaalsContact O-N 3.11Å; F618-Q622 HydrophobicContact CE1-CB 4.43Å; F618-Q622 WeakPolarHBondContact O-CB 3.35Å; F618-Q622 PolarHBondContact O-N 3.16Å
619	Y	82.4	Confident	74	Confident	180 Å²	180	82.6 Å²	82.6	71%	0.706	43%	0.43	S	S	*	.	H	α-helix	trans	-68.7	-14.7	-179.5	-58.4	-72.8	0	0	0	114.1	D617 Q622	D617-Y619 VanDerWaalsContact C-N 3.33Å; D617-Y619 PolarHBondContact O-N 3.12Å; Y619-Q622 VanDerWaalsContact O-O 3.12Å
620	L	84.5	Confident	72.4	Confident	54 Å²	54	84.5 Å²	84.5	28%	0.283	43%	0.429	S	S	.	.	H	α-helix	trans	-76.6	-29.5	173.9	-58.8	179.4	0	0	0	111.6	V601 Y602 L611 L614 D617 F618	V601-L620 HydrophobicContact CG1-CB 3.9Å; V601-L620 WeakPolarHBondContact CG1-O 3.39Å; Y602-L620 HydrophobicContact CD2-CD1 4.14Å; Y602-L620 HydrophobicContact CD2-CD2 4.05Å; L611-L620 HydrophobicContact CD1-CD1 4.04Å; L614-L620 HydrophobicContact CD1-CD1 3.99Å; L614-L620 HydrophobicContact CD1-CD2 4.43Å; L614-L620 HydrophobicContact CD1-CG 4.4Å; D617-L620 HydrophobicContact CB-CD1 4.08Å; D617-L620 VanDerWaalsContact O-CB 3.25Å; D617-L620 WeakPolarHBondContact O-CB 3.37Å; D617-L620 PolarHBondContact O-N 3Å; F618-L620 PolarHBondContact O-N 3.11Å
621	H	82.1	Confident	70.7	Confident	27 Å²	27	90.9 Å²	90.9	13%	0.125	46%	0.464	C	S	.	.	H	α-helix	trans	-100.1	-16.3	-178.5	-63.2	-88.9	0	0	0	113.6	F283 K290 N596 D617 F618	F283-H621 HydrophobicContact CD2-CB 3.83Å; F283-H621 AromaticContact CD2-ND1 3.97Å; F283-H621 HydrophobicContact CE2-CB 3.67Å; K290-H621 VanDerWaalsContact CE-CD2 3.48Å; K290-H621 WeakPolarHBondContact CE-CD2 3.3Å; K290-H621 WeakPolarHBondContact CE-NE2 3.4Å; K290-H621 PolarHBondContact NZ-CD2 3.33Å; K290-H621 PolarHBondContact NZ-NE2 3.2Å; K290-H621 VanDerWaalsContact NZ-NE2 3.15Å; N596-H621 PolarHBondContact OD1-CE1 3.05Å; N596-H621 VanDerWaalsContact OD1-CE1 3.25Å; N596-H621 PolarHBondContact OD1-NE2 3.2Å; D617-H621 PolarHBondContact O-CD2 3.2Å; D617-H621 VanDerWaalsContact O-CD2 3.31Å; D617-H621 IonicContact OD2-CD2 3.72Å; D617-H621 IonicContact OD2-NE2 2.72Å; F618-H621 PolarHBondContact O-N 3.34Å; F618-H621 VanDerWaalsContact O-N 3.11Å
622	Q	76.4	Confident	69.4	Low	13 Å²	13	100.4 Å²	100.4	6%	0.061	50%	0.5	C	S	.	.	S	Bend	trans	-112.2	113.7	178.7	-169	70.2	-18.1	0	0	109.5	C295 Y335 F618 Y619 S624	C295-Q622 PolarHBondContact SG-NE2 3.29Å; Y335-Q622 VanDerWaalsContact CE2-NE2 3.32Å; Y335-Q622 PolarHBondContact OH-NE2 2.97Å; Y335-Q622 VanDerWaalsContact OH-NE2 3.1Å; F618-Q622 HydrophobicContact CE1-CB 4.43Å; F618-Q622 WeakPolarHBondContact O-CB 3.35Å; F618-Q622 PolarHBondContact O-N 3.16Å; Y619-Q622 VanDerWaalsContact O-O 3.12Å; Q622-S624 PolarHBondContact O-N 2.79Å
623	R	67.3	Low	68.4	Low	175 Å²	175	101.3 Å²	101.3	66%	0.66	51%	0.506	S	S	*	.			trans	-63.6	137.1	173.6	-62.2	-170.7	-167	-161	4.6	109	E296 T625	E296-R623 IonicContact OE1-CZ 3.85Å; E296-R623 IonicContact OE1-NE 2.65Å; E296-R623 PolarHBondContact OE1-NE 3.47Å; E296-R623 IonicContact OE1-NH2 2.67Å; E296-R623 PolarHBondContact OE1-NH2 2.95Å; R623-T625 PolarHBondContact O-N 3.47Å; R623-T625 VanDerWaalsContact O-N 3.13Å
624	S	53.1	Low	67.9	Low	77 Å²	77	98.9 Å²	98.9	54%	0.538	50%	0.501	S	S	.	.			trans	-52.5	119.6	-177.6	180	0	0	0	0	111.4	Q622 M626 A627	Q622-S624 PolarHBondContact O-N 2.79Å; S624-M626 PolarHBondContact O-N 3.12Å; S624-A627 PolarHBondContact O-N 3.31Å; S624-A627 VanDerWaalsContact O-N 3.14Å
625	T	51.8	Low	67.6	Low	79 Å²	79	101.2 Å²	101.2	49%	0.485	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.6	-179.1	-16	0	0	0	0	113	R623 L628	R623-T625 PolarHBondContact O-N 3.47Å; R623-T625 VanDerWaalsContact O-N 3.13Å; T625-L628 HydrophobicContact CG2-CD1 3.91Å; T625-L628 WeakPolarHBondContact O-CD1 3.42Å
626	M	48	Very low	67.7	Low	173 Å²	173	98 Å²	98	85%	0.852	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.6	-179.3	-64.9	-77	97.2	0	0	113.8	S624	S624-M626 PolarHBondContact O-N 3.12Å
627	A	52	Low	67.8	Low	85 Å²	85	101 Å²	101	70%	0.702	49%	0.492	S	S	*	.	S	Bend	trans	-108.6	22.8	-173.4	0	0	0	0	0	113.7	S624 Q629	S624-A627 PolarHBondContact O-N 3.31Å; S624-A627 VanDerWaalsContact O-N 3.14Å; A627-Q629 PolarHBondContact O-N 3.15Å
628	L	51.2	Low	68	Low	65 Å²	65	100.2 Å²	100.2	34%	0.34	49%	0.488	S	S	.	.			trans	-89.5	101.4	-169.4	-66.9	170.6	0	0	0	112.8	T625 H630	T625-L628 HydrophobicContact CG2-CD1 3.91Å; T625-L628 WeakPolarHBondContact O-CD1 3.42Å; L628-H630 VanDerWaalsContact C-N 3.31Å; L628-H630 WeakPolarHBondContact CB-ND1 3.45Å; L628-H630 WeakPolarHBondContact CD1-CE1 3.44Å; L628-H630 VanDerWaalsContact CD1-ND1 3.32Å; L628-H630 WeakPolarHBondContact CD1-ND1 3.46Å; L628-H630 WeakPolarHBondContact CD2-CE1 3.47Å; L628-H630 WeakPolarHBondContact CD2-ND1 3.44Å; L628-H630 WeakPolarHBondContact CD2-NE2 3.22Å; L628-H630 WeakPolarHBondContact CG-CE1 3.48Å; L628-H630 PolarHBondContact O-N 3.45Å
629	Q	44.9	Very low	68.2	Low	202 Å²	202	97.8 Å²	97.8	94%	0.944	48%	0.476	S	S	*	.			trans	-84.1	80.2	145.2	-70.9	-171.2	-10.6	0	0	107.6	A627	A627-Q629 PolarHBondContact O-N 3.15Å
630	H	54.1	Low	68.4	Low	94 Å²	94	90.8 Å²	90.8	44%	0.435	45%	0.453	S	S	.	.			trans	-80.3	131.9	170.9	-80.6	123.1	0	0	0	109.7	L628 R632	L628-H630 VanDerWaalsContact C-N 3.31Å; L628-H630 WeakPolarHBondContact CB-ND1 3.45Å; L628-H630 WeakPolarHBondContact CD1-CE1 3.44Å; L628-H630 VanDerWaalsContact CD1-ND1 3.32Å; L628-H630 WeakPolarHBondContact CD1-ND1 3.46Å; L628-H630 WeakPolarHBondContact CD2-CE1 3.47Å; L628-H630 WeakPolarHBondContact CD2-ND1 3.44Å; L628-H630 WeakPolarHBondContact CD2-NE2 3.22Å; L628-H630 WeakPolarHBondContact CG-CE1 3.48Å; L628-H630 PolarHBondContact O-N 3.45Å; H630-R632 HydrophobicContact CB-CG 3.92Å; H630-R632 PolarHBondContact O-N 2.91Å
631	N	55.2	Low	68.3	Low	162 Å²	162	97.1 Å²	97.1	87%	0.866	48%	0.482	S	S	*	.			trans	-62.8	91.5	145.7	-99.6	-5.9	0	0	0	106.1	H633	N631-H633 PolarHBondContact O-N 3.14Å
632	R	60.8	Low	68.4	Low	203 Å²	203	96.9 Å²	96.9	77%	0.766	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-71	119.9	176.1	-71.7	-176.3	175.1	175	-2.3	107.5	H630	H630-R632 HydrophobicContact CB-CG 3.92Å; H630-R632 PolarHBondContact O-N 2.91Å
633	H	68.6	Low	68.9	Low	75 Å²	75	96.3 Å²	96.3	35%	0.347	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-59.7	149.6	166.4	-71.7	-91.7	0	0	0	109.2	N631	N631-H633 PolarHBondContact O-N 3.14Å
634	S	77.4	Confident	69.9	Low	57 Å²	57	90.9 Å²	90.9	40%	0.399	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-64.8	141.5	174	178.3	0	0	0	0	109.4	T636 F637 W638	S634-T636 PolarHBondContact O-N 3.4Å; S634-T636 PolarHBondContact OG-N 2.69Å; S634-T636 PolarHBondContact OG-OG1 2.94Å; S634-F637 CarbonylContact O-C 3.24Å; S634-F637 VanDerWaalsContact O-C 3.24Å; S634-F637 PolarHBondContact OG-N 2.96Å; S634-W638 WeakPolarHBondContact O-CA 3.45Å; S634-W638 WeakPolarHBondContact O-CB 3.01Å; S634-W638 PolarHBondContact O-N 3.18Å
635	Y	80	Confident	71.6	Confident	106 Å²	106	91.3 Å²	91.3	42%	0.416	47%	0.471	S	S	.	.	S	Bend	trans	-66.3	-23.1	174.5	-60.2	-66.8	0	0	0	112.6	Y357 F408	Y357-Y635 HydrophobicContact CD2-CE1 4.1Å; Y357-Y635 HydrophobicContact CG-CD1 4.05Å; Y357-Y635 HydrophobicContact CG-CE1 4.04Å; F408-Y635 WeakPolarHBondContact CE2-O 3.44Å
636	T	83.3	Confident	73.3	Confident	56 Å²	56	92.1 Å²	92.1	34%	0.344	47%	0.466	S	S	.	.	S	Bend	trans	-93.3	-37.7	178.6	59.4	0	0	0	0	112.3	F408 S634	F408-T636 WeakPolarHBondContact CB-O 3.29Å; F408-T636 HydrophobicContact CD1-CG2 4.1Å; F408-T636 HydrophobicContact CE1-CG2 3.51Å; F408-T636 WeakPolarHBondContact CG-O 3.25Å; F408-T636 HydrophobicContact CZ-CG2 3.84Å; S634-T636 PolarHBondContact O-N 3.4Å; S634-T636 PolarHBondContact OG-N 2.69Å; S634-T636 PolarHBondContact OG-OG1 2.94Å
637	F	84.3	Confident	75.3	Confident	138 Å²	138	84.8 Å²	84.8	61%	0.605	43%	0.43	S	S	*	.	S	Bend	trans	-110.6	70.1	174.9	-62.1	-81.5	0	0	0	108.5	S634 W639	S634-F637 CarbonylContact O-C 3.24Å; S634-F637 VanDerWaalsContact O-C 3.24Å; S634-F637 PolarHBondContact OG-N 2.96Å; F637-W639 VanDerWaalsContact C-N 3.31Å; F637-W639 HydrophobicContact CD1-CH2 4.05Å; F637-W639 AromaticContact CD1-CZ2 3.62Å; F637-W639 HydrophobicContact CD1-CZ2 3.62Å; F637-W639 HydrophobicContact CE1-CZ2 4.27Å
638	W	88.1	Confident	77.1	Confident	4 Å²	4	83.4 Å²	83.4	2%	0.015	41%	0.413	C	S	.	.			trans	-83.6	-7.1	-170.5	59	-101	0	0	0	113.8	A362 F365 D366 L369 L405 L409 I415 S634	A362-W638 HydrophobicContact CB-CB 3.79Å; A362-W638 HydrophobicContact CB-CD2 3.87Å; A362-W638 HydrophobicContact CB-CE3 3.71Å; A362-W638 HydrophobicContact CB-CG 3.94Å; A362-W638 VanDerWaalsContact O-CZ3 3.31Å; A362-W638 WeakPolarHBondContact O-CZ3 3.47Å; F365-W638 HydrophobicContact CB-CH2 4Å; F365-W638 HydrophobicContact CB-CZ3 4.02Å; D366-W638 HydrophobicContact CB-CE3 4.26Å; D366-W638 HydrophobicContact CB-CZ3 4.1Å; L369-W638 HydrophobicContact CD1-CH2 3.91Å; L369-W638 HydrophobicContact CD1-CZ3 4.35Å; L405-W638 HydrophobicContact CB-CZ2 3.93Å; L405-W638 HydrophobicContact CD2-CD2 4.08Å; L405-W638 HydrophobicContact CD2-CG 4.18Å; L405-W638 HydrophobicContact CD2-CZ2 4.39Å; L405-W638 PolarHBondContact O-NE1 3.43Å; L409-W638 HydrophobicContact CD1-CH2 4.18Å; L409-W638 HydrophobicContact CD1-CZ2 3.67Å; L409-W638 HydrophobicContact CD2-CZ2 4.12Å; L409-W638 HydrophobicContact CG-CZ2 3.8Å; I415-W638 HydrophobicContact CD1-CH2 4.32Å; S634-W638 WeakPolarHBondContact O-CA 3.45Å; S634-W638 WeakPolarHBondContact O-CB 3.01Å; S634-W638 PolarHBondContact O-N 3.18Å
639	W	87.4	Confident	79	Confident	28 Å²	28	81.7 Å²	81.7	11%	0.106	41%	0.406	C	S	.	.	S	Bend	trans	-93.5	162.1	177	56.7	84.2	0	0	0	112.6	D366 F408 L409 F637 L644	D366-W639 WeakPolarHBondContact OD1-CA 3.46Å; D366-W639 VanDerWaalsContact OD1-CB 3.29Å; D366-W639 WeakPolarHBondContact OD1-CB 3.01Å; F408-W639 HydrophobicContact CB-CH2 4.3Å; F408-W639 HydrophobicContact CB-CZ3 4.01Å; F408-W639 WeakPolarHBondContact O-CH2 3.32Å; L409-W639 HydrophobicContact CD2-CE3 4.11Å; L409-W639 HydrophobicContact CD2-CZ3 4.14Å; F637-W639 VanDerWaalsContact C-N 3.31Å; F637-W639 HydrophobicContact CD1-CH2 4.05Å; F637-W639 AromaticContact CD1-CZ2 3.62Å; F637-W639 HydrophobicContact CD1-CZ2 3.62Å; F637-W639 HydrophobicContact CE1-CZ2 4.27Å; W639-L644 HydrophobicContact CH2-CD2 4.46Å; W639-L644 HydrophobicContact CZ2-CD2 3.62Å
640	S	86.4	Confident	81.2	Confident	33 Å²	33	72.1 Å²	72.1	23%	0.231	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.1	177	-71.9	0	0	0	0	112.2	D366 G642 V643	D366-S640 PolarHBondContact OD1-N 3.28Å; D366-S640 WeakPolarHBondContact OD2-CB 3.21Å; D366-S640 PolarHBondContact OD2-N 2.99Å; D366-S640 VanDerWaalsContact OD2-N 3.09Å; D366-S640 PolarHBondContact OD2-OG 3.09Å; S640-G642 PolarHBondContact O-N 3.41Å; S640-V643 WeakPolarHBondContact O-CB 2.91Å; S640-V643 WeakPolarHBondContact O-CG2 3.27Å; S640-V643 PolarHBondContact O-N 2.86Å
641	E	83.1	Confident	82.8	Confident	187 Å²	187	68.7 Å²	68.7	87%	0.874	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	129.7	-176.6	-167.9	179.1	175.9	0	0	111.5
642	G	82.3	Confident	84.2	Confident	22 Å²	22	62 Å²	62	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-12.4	-179.3	0	0	0	0	0	115.5	S640 L644 S645 Y646	S640-G642 PolarHBondContact O-N 3.41Å; G642-L644 PolarHBondContact O-N 2.85Å; G642-S645 WeakPolarHBondContact CA-OG 3.14Å; G642-S645 PolarHBondContact O-N 3.06Å; G642-S645 PolarHBondContact O-OG 3.19Å; G642-Y646 WeakPolarHBondContact O-CD2 3.37Å
643	V	86.9	Confident	85.3	Confident	2 Å²	2	53 Å²	53	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-50.7	176.8	173.3	0	0	0	0	110.3	L369 Q370 S640 S645 Y646 L647 Y651	L369-V643 HydrophobicContact CB-CG1 3.84Å; Q370-V643 HydrophobicContact CB-CG2 4.33Å; Q370-V643 HydrophobicContact CG-CG2 4.47Å; S640-V643 WeakPolarHBondContact O-CB 2.91Å; S640-V643 WeakPolarHBondContact O-CG2 3.27Å; S640-V643 PolarHBondContact O-N 2.86Å; V643-S645 VanDerWaalsContact C-N 3.28Å; V643-S645 PolarHBondContact O-N 3.09Å; V643-Y646 PolarHBondContact O-N 3.32Å; V643-L647 HydrophobicContact CG1-CD2 4.43Å; V643-L647 WeakPolarHBondContact O-CG 3.13Å; V643-L647 PolarHBondContact O-N 2.8Å; V643-Y651 HydrophobicContact CG2-CD2 4.42Å; V643-Y651 HydrophobicContact CG2-CG 4.29Å
644	L	88.4	Confident	85.9	Confident	60 Å²	60	50.5 Å²	50.5	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-33.5	-177.4	-170.8	64.1	0	0	0	113.5	P410 W639 G642 Y646 L647	P410-L644 HydrophobicContact CG-CD1 3.85Å; W639-L644 HydrophobicContact CH2-CD2 4.46Å; W639-L644 HydrophobicContact CZ2-CD2 3.62Å; G642-L644 PolarHBondContact O-N 2.85Å; L644-Y646 VanDerWaalsContact C-N 3.28Å; L644-Y646 PolarHBondContact O-N 3.13Å; L644-L647 HydrophobicContact CD1-CD1 4.08Å
645	S	88.8	Confident	85.6	Confident	86 Å²	86	50 Å²	50	60%	0.601	26%	0.264	S	S	*	.	H	α-helix	trans	-71.5	-21.1	-177.9	49.6	0	0	0	0	113.9	G642 V643	G642-S645 WeakPolarHBondContact CA-OG 3.14Å; G642-S645 PolarHBondContact O-N 3.06Å; G642-S645 PolarHBondContact O-OG 3.19Å; V643-S645 VanDerWaalsContact C-N 3.28Å; V643-S645 PolarHBondContact O-N 3.09Å
646	Y	88.3	Confident	85.2	Confident	97 Å²	97	45.6 Å²	45.6	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-109.9	-2.4	-178.1	-62	-68.7	0	0	0	114	G642 V643 L644 V649 Y651 V654 C656	G642-Y646 WeakPolarHBondContact O-CD2 3.37Å; V643-Y646 PolarHBondContact O-N 3.32Å; L644-Y646 VanDerWaalsContact C-N 3.28Å; L644-Y646 PolarHBondContact O-N 3.13Å; Y646-V649 PolarHBondContact O-N 3.43Å; Y646-Y651 AromaticContact CD2-CD2 3.67Å; Y646-Y651 HydrophobicContact CD2-CD2 3.67Å; Y646-Y651 AromaticContact CD2-CE2 3.71Å; Y646-Y651 HydrophobicContact CD2-CE2 3.71Å; Y646-Y651 HydrophobicContact CE2-CD2 4.33Å; Y646-Y651 AromaticContact CE2-CE2 3.91Å; Y646-Y651 HydrophobicContact CE2-CE2 3.91Å; Y646-V654 HydrophobicContact CD1-CB 4.47Å; Y646-V654 HydrophobicContact CD1-CG1 3.56Å; Y646-V654 HydrophobicContact CD1-CG2 4.19Å; Y646-V654 HydrophobicContact CD2-CG1 4.24Å; Y646-V654 HydrophobicContact CE1-CG1 3.6Å; Y646-V654 HydrophobicContact CE2-CG1 4.31Å; Y646-V654 HydrophobicContact CG-CB 4.39Å; Y646-V654 HydrophobicContact CG-CG1 3.88Å; Y646-V654 HydrophobicContact CG-CG2 3.95Å; Y646-C656 HydrophobicContact CE2-CB 4.49Å
647	L	89.7	Confident	84.5	Confident	19 Å²	19	49.1 Å²	49.1	10%	0.099	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.7	169.3	-69.3	-174.4	0	0	0	109.8	L369 H413 V643 L644	L369-L647 HydrophobicContact CD2-CD1 4.41Å; L369-L647 HydrophobicContact CD2-CD2 4.37Å; H413-L647 HydrophobicContact CB-CD1 3.97Å; V643-L647 HydrophobicContact CG1-CD2 4.43Å; V643-L647 WeakPolarHBondContact O-CG 3.13Å; V643-L647 PolarHBondContact O-N 2.8Å; L644-L647 HydrophobicContact CD1-CD1 4.08Å
648	P	90.7	Very high	83.8	Confident	55 Å²	55	47 Å²	47	36%	0.357	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.2	-2.9	13.3	35.1	-37.3	0	0	0	115.7	G373 S374 T483	G373-P648 WeakPolarHBondContact CA-O 3.46Å; S374-P648 PolarHBondContact N-O 2.76Å; S374-P648 VanDerWaalsContact N-O 3.11Å; S374-P648 WeakPolarHBondContact O-CB 3.25Å; T483-P648 WeakPolarHBondContact CB-O 3.35Å; T483-P648 HydrophobicContact CG2-CB 4.47Å; T483-P648 HydrophobicContact CG2-CG 4.44Å
649	V	91	Very high	83	Confident	30 Å²	30	47.3 Å²	47.3	18%	0.182	26%	0.259	C	S	.	.	S	Bend	trans	-75.5	144.8	-175.5	-177.9	0	0	0	0	110.5	L481 T483 Y646 Y651 V654	L481-V649 HydrophobicContact CD1-CG1 4.5Å; T483-V649 HydrophobicContact CG2-CG2 4.37Å; Y646-V649 PolarHBondContact O-N 3.43Å; V649-Y651 PolarHBondContact O-N 3.44Å; V649-V654 HydrophobicContact CG1-CG2 4.31Å
650	P	90.6	Very high	82	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	26%	0.262	C	S	.	.			trans	-57.4	127.5	173.9	-22.1	31.3	0	0	0	112.1	R371 D652 E653 V654	R371-P650 WeakPolarHBondContact O-CB 3.48Å; P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 3.22Å; P650-E653 HydrophobicContact CB-CB 4.31Å; P650-E653 HydrophobicContact CB-CG 4.1Å; P650-E653 PolarHBondContact O-N 2.81Å; P650-V654 WeakPolarHBondContact O-CG2 3.33Å
651	Y	88.4	Confident	81	Confident	22 Å²	22	52.4 Å²	52.4	9%	0.086	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.1	-40.5	-178.5	-178.4	-93.4	0	0	0	112.5	Q370 V643 Y646 V649 E653 V654 N658	Q370-Y651 HydrophobicContact CG-CD1 3.91Å; Q370-Y651 HydrophobicContact CG-CG 4.31Å; Q370-Y651 PolarHBondContact O-N 3.47Å; V643-Y651 HydrophobicContact CG2-CD2 4.42Å; V643-Y651 HydrophobicContact CG2-CG 4.29Å; Y646-Y651 AromaticContact CD2-CD2 3.67Å; Y646-Y651 HydrophobicContact CD2-CD2 3.67Å; Y646-Y651 AromaticContact CD2-CE2 3.71Å; Y646-Y651 HydrophobicContact CD2-CE2 3.71Å; Y646-Y651 HydrophobicContact CE2-CD2 4.33Å; Y646-Y651 AromaticContact CE2-CE2 3.91Å; Y646-Y651 HydrophobicContact CE2-CE2 3.91Å; V649-Y651 PolarHBondContact O-N 3.44Å; Y651-E653 PolarHBondContact O-N 3.17Å; Y651-V654 WeakPolarHBondContact O-CB 3.43Å; Y651-V654 PolarHBondContact O-N 2.87Å; Y651-N658 PolarHBondContact OH-ND2 2.98Å
652	D	84.4	Confident	80.2	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.118	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20	179.2	-72.8	-14.2	0	0	0	112.5	Y176 Q370 P650 T659	Y176-D652 HydrophobicContact CE2-CB 4Å; Y176-D652 VanDerWaalsContact CE2-O 3.25Å; Y176-D652 WeakPolarHBondContact CE2-O 3.19Å; Q370-D652 VanDerWaalsContact CG-OD1 3.31Å; Q370-D652 WeakPolarHBondContact CG-OD1 3.49Å; Q370-D652 PolarHBondContact NE2-OD1 3.5Å; Q370-D652 PolarHBondContact O-N 3.28Å; P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 3.22Å; D652-T659 WeakPolarHBondContact O-CG2 3.41Å
653	E	83.1	Confident	79.8	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.065	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-101.3	1.8	-179.1	-62.8	-179.6	-167	0	0	113.5	Q175 Y176 T179 R183 P650 Y651	Q175-E653 WeakPolarHBondContact CG-OE1 3.4Å; Q175-E653 VanDerWaalsContact CG-OE2 3.31Å; Q175-E653 WeakPolarHBondContact CG-OE2 3.48Å; Q175-E653 VanDerWaalsContact NE2-CD 3.31Å; Q175-E653 PolarHBondContact NE2-OE1 3.26Å; Q175-E653 VanDerWaalsContact NE2-OE1 3.11Å; Q175-E653 PolarHBondContact NE2-OE2 3.13Å; Y176-E653 HydrophobicContact CD2-CG 3.69Å; Y176-E653 HydrophobicContact CE2-CG 4.39Å; Y176-E653 HydrophobicContact CG-CG 4.49Å; T179-E653 HydrophobicContact CG2-CB 4.48Å; R183-E653 PolarHBondContact NH2-O 3Å; P650-E653 HydrophobicContact CB-CB 4.31Å; P650-E653 HydrophobicContact CB-CG 4.1Å; P650-E653 PolarHBondContact O-N 2.81Å; Y651-E653 PolarHBondContact O-N 3.17Å
654	V	80.8	Confident	79.2	Confident	21 Å²	21	51 Å²	51	13%	0.127	27%	0.267	C	S	.	.	S	Bend	trans	-84.2	148.1	178.8	177.4	0	0	0	0	110.4	R183 Y646 V649 P650 Y651 C656 T659	R183-V654 PolarHBondContact NH2-O 3.18Å; Y646-V654 HydrophobicContact CD1-CB 4.47Å; Y646-V654 HydrophobicContact CD1-CG1 3.56Å; Y646-V654 HydrophobicContact CD1-CG2 4.19Å; Y646-V654 HydrophobicContact CD2-CG1 4.24Å; Y646-V654 HydrophobicContact CE1-CG1 3.6Å; Y646-V654 HydrophobicContact CE2-CG1 4.31Å; Y646-V654 HydrophobicContact CG-CB 4.39Å; Y646-V654 HydrophobicContact CG-CG1 3.88Å; Y646-V654 HydrophobicContact CG-CG2 3.95Å; V649-V654 HydrophobicContact CG1-CG2 4.31Å; P650-V654 WeakPolarHBondContact O-CG2 3.33Å; Y651-V654 WeakPolarHBondContact O-CB 3.43Å; Y651-V654 PolarHBondContact O-N 2.87Å; V654-C656 VanDerWaalsContact C-N 3.33Å; V654-C656 HydrophobicContact CG1-CB 4.44Å; V654-C656 PolarHBondContact O-N 2.89Å; V654-C656 VanDerWaalsContact O-N 3.12Å; V654-T659 WeakPolarHBondContact O-CB 3.29Å; V654-T659 WeakPolarHBondContact O-CG2 3.19Å
655	A	70.9	Confident	78.6	Confident	46 Å²	46	50.9 Å²	50.9	38%	0.38	27%	0.269	S	S	.	.			trans	-81.8	78.5	171.4	0	0	0	0	0	110.2	L187 M660	L187-A655 HydrophobicContact CD2-CB 3.5Å; L187-A655 VanDerWaalsContact CD2-CB 3.5Å; A655-M660 HydrophobicContact CB-CE 3.64Å
656	C	72.1	Confident	77.9	Confident	15 Å²	15	51.4 Å²	51.4	10%	0.101	26%	0.258	C	S	.	.			trans	-116.4	164.2	172.3	70.8	0	0	0	0	110.9	Y646 V654 N658 T659 M660	Y646-C656 HydrophobicContact CE2-CB 4.49Å; V654-C656 VanDerWaalsContact C-N 3.33Å; V654-C656 HydrophobicContact CG1-CB 4.44Å; V654-C656 PolarHBondContact O-N 2.89Å; V654-C656 VanDerWaalsContact O-N 3.12Å; C656-N658 PolarHBondContact O-N 2.86Å; C656-T659 PolarHBondContact O-N 3.08Å; C656-T659 PolarHBondContact SG-OG1 3.34Å; C656-M660 WeakPolarHBondContact O-CG 3.5Å; C656-M660 PolarHBondContact O-N 3.19Å
657	E	68.1	Low	77.2	Confident	129 Å²	129	55.8 Å²	55.8	60%	0.603	27%	0.274	S	S	*	.	H	α-helix	trans	-55.7	-37.5	-177	-163.5	-166.3	139.4	0	0	112.5	M660 K661	E657-M660 PolarHBondContact O-N 3.13Å; E657-K661 WeakPolarHBondContact O-CG 3.49Å; E657-K661 PolarHBondContact O-N 3.03Å; E657-K661 WeakPolarHBondContact OE1-CE 3.31Å; E657-K661 IonicContact OE1-NZ 3.6Å; E657-K661 PolarHBondContact OE1-NZ 3.25Å
658	N	70.2	Confident	76.5	Confident	95 Å²	95	56.2 Å²	56.2	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-66.3	-46.7	179.7	-67.8	-17.9	0	0	0	112	Y651 C656 M660 K661	Y651-N658 PolarHBondContact OH-ND2 2.98Å; C656-N658 PolarHBondContact O-N 2.86Å; N658-M660 VanDerWaalsContact C-N 3.31Å; N658-M660 PolarHBondContact O-N 3.49Å; N658-K661 PolarHBondContact O-N 2.85Å
659	T	70.6	Confident	75.8	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-24.6	179.3	-51.2	0	0	0	0	112.4	D652 V654 C656 T662	D652-T659 WeakPolarHBondContact O-CG2 3.41Å; V654-T659 WeakPolarHBondContact O-CB 3.29Å; V654-T659 WeakPolarHBondContact O-CG2 3.19Å; C656-T659 PolarHBondContact O-N 3.08Å; C656-T659 PolarHBondContact SG-OG1 3.34Å; T659-T662 PolarHBondContact O-OG1 2.96Å
660	M	67.3	Low	74.8	Confident	36 Å²	36	59.1 Å²	59.1	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-74	-27.7	175.2	-70.2	-63.2	-175.3	0	0	112.6	L187 A655 C656 E657 N658 T662 I663	L187-M660 HydrophobicContact CD2-CE 4.13Å; A655-M660 HydrophobicContact CB-CE 3.64Å; C656-M660 WeakPolarHBondContact O-CG 3.5Å; C656-M660 PolarHBondContact O-N 3.19Å; E657-M660 PolarHBondContact O-N 3.13Å; N658-M660 VanDerWaalsContact C-N 3.31Å; N658-M660 PolarHBondContact O-N 3.49Å; M660-T662 PolarHBondContact O-N 3.09Å; M660-I663 PolarHBondContact O-N 2.83Å; M660-I663 HydrophobicContact SD-CD1 4.34Å
661	K	65.8	Low	73.9	Confident	132 Å²	132	67 Å²	67	57%	0.574	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.9	176.3	-73.4	168.3	-175.5	162.1	0	113.2	E657 N658 I663	E657-K661 WeakPolarHBondContact O-CG 3.49Å; E657-K661 PolarHBondContact O-N 3.03Å; E657-K661 WeakPolarHBondContact OE1-CE 3.31Å; E657-K661 IonicContact OE1-NZ 3.6Å; E657-K661 PolarHBondContact OE1-NZ 3.25Å; N658-K661 PolarHBondContact O-N 2.85Å; K661-I663 VanDerWaalsContact C-N 3.34Å
662	T	66.8	Low	73.3	Confident	41 Å²	41	68 Å²	68	25%	0.252	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.5	-177.8	62.5	0	0	0	0	113.4	E227 T659 M660	E227-T662 WeakPolarHBondContact CG-O 3.37Å; E227-T662 PolarHBondContact N-O 3.19Å; T659-T662 PolarHBondContact O-OG1 2.96Å; M660-T662 PolarHBondContact O-N 3.09Å
663	I	73.4	Confident	73	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.108	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.5	-176.1	-57.6	163.5	0	0	0	109.7	L180 L224 M660 K661 V665	L180-I663 HydrophobicContact CD1-CD1 4.4Å; L180-I663 HydrophobicContact CD2-CD1 3.51Å; L180-I663 HydrophobicContact CD2-CG1 4.44Å; L224-I663 HydrophobicContact CD2-CG2 3.94Å; M660-I663 PolarHBondContact O-N 2.83Å; M660-I663 HydrophobicContact SD-CD1 4.34Å; K661-I663 VanDerWaalsContact C-N 3.34Å; I663-V665 HydrophobicContact CG2-CG2 4.26Å
664	K	74.3	Confident	72.8	Confident	119 Å²	119	70.3 Å²	70.3	52%	0.517	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.5	172.2	-64.3	-178.5	-178.5	-177.5	0	109.7	Q225	Q225-K664 HydrophobicContact CB-CB 4.33Å; Q225-K664 PolarHBondContact N-O 2.93Å; Q225-K664 PolarHBondContact O-N 3.36Å
665	V	75.9	Confident	72.7	Confident	59 Å²	59	69.8 Å²	69.8	36%	0.358	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.7	179.4	-171	0	0	0	0	109.5	W188 Y222 L224 I663	W188-V665 HydrophobicContact CE3-CG1 4.22Å; W188-V665 HydrophobicContact CE3-CG2 4.38Å; W188-V665 HydrophobicContact CZ3-CG1 4.44Å; Y222-V665 HydrophobicContact CD1-CG1 4.03Å; Y222-V665 HydrophobicContact CG-CG1 4.46Å; L224-V665 HydrophobicContact CD2-CB 4.36Å; L224-V665 HydrophobicContact CD2-CG1 4.23Å; L224-V665 HydrophobicContact CD2-CG2 3.71Å; I663-V665 HydrophobicContact CG2-CG2 4.26Å
666	R	74.2	Confident	73.2	Confident	97 Å²	97	69.3 Å²	69.3	37%	0.366	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.8	176.7	-68.6	-177.4	174.8	-177.2	-3.9	110.7	Y222 G223 M668	Y222-R666 CarbonylContact C-O 3.42Å; Y222-R666 WeakPolarHBondContact CA-O 3.45Å; G223-R666 PolarHBondContact N-O 2.87Å; G223-R666 PolarHBondContact O-N 3.06Å; R666-M668 HydrophobicContact CB-CE 3.87Å; R666-M668 HydrophobicContact CB-CG 4.49Å
667	R	73.8	Confident	73.6	Confident	189 Å²	189	70.7 Å²	70.7	71%	0.713	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	124	174	-172.3	-179.2	172.6	-178.4	-3.3	109.1	V220 Y222	V220-R667 HydrophobicContact CG1-CG 3.33Å; V220-R667 VanDerWaalsContact CG1-NE 3.31Å; Y222-R667 HydrophobicContact CD1-CB 4.43Å; Y222-R667 HydrophobicContact CE1-CB 4.25Å; Y222-R667 HydrophobicContact CE1-CG 4.22Å
668	M	74.2	Confident	74.3	Confident	28 Å²	28	71.5 Å²	71.5	14%	0.138	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.6	-174.8	-66.9	176	170.8	0	0	111.2	V7 V221 R666 S674 V675	V7-M668 HydrophobicContact CG2-CE 4.3Å; V7-M668 HydrophobicContact CG2-SD 4.5Å; V221-M668 PolarHBondContact N-O 2.97Å; V221-M668 PolarHBondContact O-N 2.87Å; R666-M668 HydrophobicContact CB-CE 3.87Å; R666-M668 HydrophobicContact CB-CG 4.49Å; M668-S674 PolarHBondContact SD-OG 3.14Å; M668-V675 HydrophobicContact CB-CG2 4.35Å; M668-V675 HydrophobicContact SD-CG1 3.92Å; M668-V675 HydrophobicContact SD-CG2 4.36Å
669	N	76.5	Confident	74.9	Confident	90 Å²	90	68.6 Å²	68.6	48%	0.481	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	144.8	169.4	-71.8	-23.8	0	0	0	109.6	F671 D672	N669-F671 PolarHBondContact O-N 3.24Å; N669-D672 WeakPolarHBondContact O-CB 3.37Å; N669-D672 PolarHBondContact O-N 3.15Å
670	Q	70	Confident	75.5	Confident	55 Å²	55	69.2 Å²	69.2	26%	0.257	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.1	-179.6	-176	177.1	15.5	0	0	113.8	Q219 V221 D672	Q219-Q670 WeakPolarHBondContact O-CB 3.43Å; Q219-Q670 PolarHBondContact O-N 3.26Å; V221-Q670 HydrophobicContact CG2-CB 3.69Å; V221-Q670 HydrophobicContact CG2-CG 3.9Å; Q670-D672 VanDerWaalsContact C-N 3.33Å
671	F	70.6	Confident	76.2	Confident	166 Å²	166	68.6 Å²	68.6	73%	0.728	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11.2	179.8	-52.8	-70.6	0	0	0	113.2	N669 E673	N669-F671 PolarHBondContact O-N 3.24Å; F671-E673 PolarHBondContact O-N 3.29Å
672	D	77.4	Confident	77	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.23	30%	0.303	C	S	.	.			trans	-66.6	127.7	172.5	-163.5	-51.5	0	0	0	108.9	K34 N669 Q670 S674 V675 D676	K34-D672 IonicContact NZ-OD1 3.58Å; K34-D672 PolarHBondContact NZ-OD1 3.11Å; K34-D672 IonicContact NZ-OD2 3.56Å; N669-D672 WeakPolarHBondContact O-CB 3.37Å; N669-D672 PolarHBondContact O-N 3.15Å; Q670-D672 VanDerWaalsContact C-N 3.33Å; D672-S674 PolarHBondContact O-N 3.15Å; D672-S674 WeakPolarHBondContact OD1-CB 3.01Å; D672-S674 PolarHBondContact OD1-N 3.1Å; D672-S674 PolarHBondContact OD1-OG 3.03Å; D672-V675 HydrophobicContact CB-CG2 3.99Å; D672-V675 WeakPolarHBondContact O-CG2 3.49Å; D672-V675 PolarHBondContact O-N 3.08Å; D672-D676 PolarHBondContact O-N 3.28Å
673	E	76.6	Confident	77.8	Confident	63 Å²	63	65.4 Å²	65.4	29%	0.294	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.7	177	-62.5	170.8	160.9	0	0	112.9	N29 T33 F671 V675	N29-E673 PolarHBondContact ND2-OE2 3.32Å; T33-E673 VanDerWaalsContact OG1-CD 3.26Å; T33-E673 PolarHBondContact OG1-OE1 3.26Å; T33-E673 PolarHBondContact OG1-OE2 3.36Å; F671-E673 PolarHBondContact O-N 3.29Å; E673-V675 PolarHBondContact O-N 3.14Å
674	S	78.6	Confident	78.2	Confident	23 Å²	23	68.7 Å²	68.7	16%	0.161	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.1	176.5	59.2	0	0	0	0	114.6	I8 M668 D672	I8-S674 WeakPolarHBondContact CB-O 3.31Å; I8-S674 PolarHBondContact N-O 3.13Å; M668-S674 PolarHBondContact SD-OG 3.14Å; D672-S674 PolarHBondContact O-N 3.15Å; D672-S674 WeakPolarHBondContact OD1-CB 3.01Å; D672-S674 PolarHBondContact OD1-N 3.1Å; D672-S674 PolarHBondContact OD1-OG 3.03Å
675	V	79.9	Confident	78.6	Confident	9 Å²	9	67.8 Å²	67.8	6%	0.055	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-10.5	176.4	-82.7	0	0	0	0	113.1	A5 M668 D672 E673 I677	A5-V675 HydrophobicContact CB-CB 3.93Å; A5-V675 HydrophobicContact CB-CG1 3.72Å; M668-V675 HydrophobicContact CB-CG2 4.35Å; M668-V675 HydrophobicContact SD-CG1 3.92Å; M668-V675 HydrophobicContact SD-CG2 4.36Å; D672-V675 HydrophobicContact CB-CG2 3.99Å; D672-V675 WeakPolarHBondContact O-CG2 3.49Å; D672-V675 PolarHBondContact O-N 3.08Å; E673-V675 PolarHBondContact O-N 3.14Å; V675-I677 PolarHBondContact O-N 3.21Å
676	D	81.4	Confident	78.9	Confident	36 Å²	36	68.7 Å²	68.7	19%	0.193	32%	0.316	C	S	.	.			trans	-76	85.6	177.3	-173.3	-1.1	0	0	0	112.7	D672 Y678 T679 E680	D672-D676 PolarHBondContact O-N 3.28Å; D676-Y678 PolarHBondContact O-N 3.44Å; D676-Y678 WeakPolarHBondContact OD1-CB 3.41Å; D676-Y678 PolarHBondContact OD1-N 3.25Å; D676-T679 PolarHBondContact O-N 2.61Å; D676-T679 PolarHBondContact OD1-N 2.65Å; D676-T679 VanDerWaalsContact OD1-N 3.08Å; D676-T679 WeakPolarHBondContact OD2-CB 3.49Å; D676-T679 PolarHBondContact OD2-OG1 2.97Å; D676-E680 WeakPolarHBondContact O-CB 3.33Å; D676-E680 PolarHBondContact O-N 3.39Å; D676-E680 VanDerWaalsContact O-N 3.13Å
677	I	80.9	Confident	79.2	Confident	45 Å²	45	72.7 Å²	72.7	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-30.4	175.5	-62.5	169.1	0	0	0	111.8	I8 V675 F681	I8-I677 HydrophobicContact CD1-CG1 4.36Å; V675-I677 PolarHBondContact O-N 3.21Å; I677-F681 VanDerWaalsContact O-CB 3.25Å; I677-F681 WeakPolarHBondContact O-CB 3.49Å; I677-F681 PolarHBondContact O-N 3.17Å
678	Y	83	Confident	79.2	Confident	146 Å²	146	66.2 Å²	66.2	57%	0.573	33%	0.325	S	S	*	.	H	α-helix	trans	-66.4	-50.1	-178.7	176.4	-88.1	0	0	0	110.4	D676 E680 F681 F682	D676-Y678 PolarHBondContact O-N 3.44Å; D676-Y678 WeakPolarHBondContact OD1-CB 3.41Å; D676-Y678 PolarHBondContact OD1-N 3.25Å; Y678-E680 VanDerWaalsContact C-N 3.33Å; Y678-E680 PolarHBondContact O-N 3.17Å; Y678-F681 PolarHBondContact O-N 3.34Å; Y678-F682 HydrophobicContact CD1-CD2 4.45Å; Y678-F682 AromaticContact CD2-CD2 3.42Å; Y678-F682 HydrophobicContact CD2-CD2 3.42Å; Y678-F682 VanDerWaalsContact CD2-CD2 3.42Å; Y678-F682 AromaticContact CD2-CE2 3.62Å; Y678-F682 HydrophobicContact CD2-CE2 3.62Å; Y678-F682 HydrophobicContact CE1-CD2 4.38Å; Y678-F682 AromaticContact CE2-CD2 3.34Å; Y678-F682 HydrophobicContact CE2-CD2 3.34Å; Y678-F682 AromaticContact CE2-CE2 3.55Å; Y678-F682 HydrophobicContact CE2-CE2 3.55Å; Y678-F682 HydrophobicContact CE2-CG 4.23Å; Y678-F682 AromaticContact CG-CD2 4Å; Y678-F682 HydrophobicContact CG-CD2 4Å; Y678-F682 AromaticContact CZ-CD2 3.85Å; Y678-F682 PolarHBondContact O-N 3.33Å
679	T	82.3	Confident	79.3	Confident	33 Å²	33	67.3 Å²	67.3	20%	0.202	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-36.8	178.7	-65.9	0	0	0	0	111.7	D676 K683 Y685	D676-T679 PolarHBondContact O-N 2.61Å; D676-T679 PolarHBondContact OD1-N 2.65Å; D676-T679 VanDerWaalsContact OD1-N 3.08Å; D676-T679 WeakPolarHBondContact OD2-CB 3.49Å; D676-T679 PolarHBondContact OD2-OG1 2.97Å; T679-K683 WeakPolarHBondContact O-CA 3.4Å; T679-K683 PolarHBondContact O-N 3.46Å; T679-Y685 HydrophobicContact CG2-CD1 4.18Å; T679-Y685 HydrophobicContact CG2-CE1 3.68Å
680	E	82.1	Confident	79.1	Confident	23 Å²	23	70.5 Å²	70.5	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-43.2	173.8	177.1	63	-166.7	0	0	112.5	I8 Q12 D676 Y678 K683	I8-E680 HydrophobicContact CD1-CB 3.88Å; I8-E680 HydrophobicContact CD1-CG 4.1Å; I8-E680 HydrophobicContact CG2-CG 4.46Å; Q12-E680 PolarHBondContact NE2-OE1 2.65Å; Q12-E680 PolarHBondContact NE2-OE2 3.09Å; Q12-E680 PolarHBondContact OE1-OE1 2.81Å; D676-E680 WeakPolarHBondContact O-CB 3.33Å; D676-E680 PolarHBondContact O-N 3.39Å; D676-E680 VanDerWaalsContact O-N 3.13Å; Y678-E680 VanDerWaalsContact C-N 3.33Å; Y678-E680 PolarHBondContact O-N 3.17Å; E680-K683 WeakPolarHBondContact O-CG 3.11Å
681	F	82.9	Confident	79	Confident	22 Å²	22	73.1 Å²	73.1	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-78.6	-51.3	-175.7	-173.6	-92.8	0	0	0	112.9	D117 G120 I677 Y678	D117-F681 HydrophobicContact CB-CE2 4.25Å; G120-F681 WeakPolarHBondContact O-CD2 3.44Å; I677-F681 VanDerWaalsContact O-CB 3.25Å; I677-F681 WeakPolarHBondContact O-CB 3.49Å; I677-F681 PolarHBondContact O-N 3.17Å; Y678-F681 PolarHBondContact O-N 3.34Å
682	F	82.4	Confident	78.9	Confident	68 Å²	68	71.1 Å²	71.1	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-87.2	-20.7	-173	-71	-72.5	0	0	0	114	Y678	Y678-F682 HydrophobicContact CD1-CD2 4.45Å; Y678-F682 AromaticContact CD2-CD2 3.42Å; Y678-F682 HydrophobicContact CD2-CD2 3.42Å; Y678-F682 VanDerWaalsContact CD2-CD2 3.42Å; Y678-F682 AromaticContact CD2-CE2 3.62Å; Y678-F682 HydrophobicContact CD2-CE2 3.62Å; Y678-F682 HydrophobicContact CE1-CD2 4.38Å; Y678-F682 AromaticContact CE2-CD2 3.34Å; Y678-F682 HydrophobicContact CE2-CD2 3.34Å; Y678-F682 AromaticContact CE2-CE2 3.55Å; Y678-F682 HydrophobicContact CE2-CE2 3.55Å; Y678-F682 HydrophobicContact CE2-CG 4.23Å; Y678-F682 AromaticContact CG-CD2 4Å; Y678-F682 HydrophobicContact CG-CD2 4Å; Y678-F682 AromaticContact CZ-CD2 3.85Å; Y678-F682 PolarHBondContact O-N 3.33Å
683	K	82.5	Confident	78.5	Confident	38 Å²	38	69.9 Å²	69.9	17%	0.165	35%	0.352	C	S	.	.			trans	49.4	59.1	175.9	-54	174.4	-175.7	-173.7	0	112.8	H30 T679 E680 Y685 E686 T688	H30-K683 PolarHBondContact CE1-NZ 3.26Å; H30-K683 VanDerWaalsContact CE1-NZ 3.28Å; H30-K683 WeakPolarHBondContact NE2-CE 3.4Å; H30-K683 PolarHBondContact NE2-NZ 2.98Å; H30-K683 VanDerWaalsContact NE2-NZ 3.16Å; T679-K683 WeakPolarHBondContact O-CA 3.4Å; T679-K683 PolarHBondContact O-N 3.46Å; E680-K683 WeakPolarHBondContact O-CG 3.11Å; K683-Y685 PolarHBondContact O-N 2.88Å; K683-E686 HydrophobicContact CB-CB 4.48Å; K683-E686 PolarHBondContact O-N 2.85Å; K683-T688 HydrophobicContact CB-CG2 4.21Å; K683-T688 HydrophobicContact CD-CG2 4.36Å
684	P	83	Confident	78.2	Confident	90 Å²	90	71.6 Å²	71.6	58%	0.584	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.5	-174.1	26.5	-35.6	0	0	0	114.2
685	Y	81.7	Confident	77.7	Confident	100 Å²	100	72 Å²	72	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.3	178.3	51.6	-95.7	0	0	0	114.2	H30 A31 T679 K683	H30-Y685 WeakPolarHBondContact CB-OH 3.32Å; H30-Y685 AromaticContact CD2-CE2 3.97Å; H30-Y685 AromaticContact CD2-CZ 3.94Å; H30-Y685 PolarHBondContact CD2-OH 2.82Å; A31-Y685 HydrophobicContact CB-CD1 4.45Å; A31-Y685 HydrophobicContact CB-CE1 4.03Å; A31-Y685 HydrophobicContact CB-CE2 4.1Å; T679-Y685 HydrophobicContact CG2-CD1 4.18Å; T679-Y685 HydrophobicContact CG2-CE1 3.68Å; K683-Y685 PolarHBondContact O-N 2.88Å
686	E	81.9	Confident	76.9	Confident	79 Å²	79	75.6 Å²	75.6	37%	0.369	38%	0.379	S	S	.	.	S	Bend	trans	-115	140.5	-179.5	-171.2	169	-147.8	0	0	110.3	R13 H30 K683 T688	R13-E686 IonicContact NH2-OE1 3.5Å; R13-E686 IonicContact NH2-OE2 3.46Å; H30-E686 IonicContact NE2-OE2 2.66Å; K683-E686 HydrophobicContact CB-CB 4.48Å; K683-E686 PolarHBondContact O-N 2.85Å; E686-T688 HydrophobicContact CB-CG2 4.25Å; E686-T688 HydrophobicContact CG-CG2 4.35Å; E686-T688 PolarHBondContact O-N 3.29Å
687	L	81.5	Confident	76	Confident	181 Å²	181	77.5 Å²	77.5	95%	0.948	41%	0.407	S	S	*	.			trans	-71.9	97.1	168.9	-173.1	83.3	0	0	0	107.9
688	T	73.1	Confident	76	Confident	52 Å²	52	76.7 Å²	76.7	32%	0.319	40%	0.402	S	S	.	.			trans	-95.4	139.2	-179.3	52.9	0	0	0	0	111.4	K683 E686 T693	K683-T688 HydrophobicContact CB-CG2 4.21Å; K683-T688 HydrophobicContact CD-CG2 4.36Å; E686-T688 HydrophobicContact CB-CG2 4.25Å; E686-T688 HydrophobicContact CG-CG2 4.35Å; E686-T688 PolarHBondContact O-N 3.29Å; T688-T693 WeakPolarHBondContact CB-OG1 3.09Å; T688-T693 PolarHBondContact OG1-OG1 3.01Å
689	S	76.9	Confident	75.9	Confident	51 Å²	51	71.7 Å²	71.7	36%	0.357	39%	0.387	S	S	.	.			trans	-73.8	143.3	165.5	-177.2	0	0	0	0	109.3	D691 D692 T693	S689-D691 PolarHBondContact O-N 3.38Å; S689-D691 PolarHBondContact OG-N 3.33Å; S689-D692 WeakPolarHBondContact CB-OD2 3.39Å; S689-D692 PolarHBondContact O-N 3.38Å; S689-T693 PolarHBondContact O-N 3.18Å; S689-T693 VanDerWaalsContact O-N 3.09Å; S689-T693 PolarHBondContact O-OG1 2.9Å
690	F	73.1	Confident	76	Confident	157 Å²	157	71.7 Å²	71.7	69%	0.689	39%	0.386	S	S	*	.	H	α-helix	trans	-56.1	-32.8	170.4	-81.4	-77.2	0	0	0	111.8	D692 T693 F694	F690-D692 VanDerWaalsContact C-N 3.27Å; F690-D692 PolarHBondContact O-N 3.33Å; F690-T693 PolarHBondContact O-N 2.93Å; F690-F694 AromaticContact CD1-CD2 3.77Å; F690-F694 HydrophobicContact CD1-CD2 3.77Å; F690-F694 AromaticContact CD1-CE2 3.59Å; F690-F694 HydrophobicContact CD1-CE2 3.59Å; F690-F694 AromaticContact CE1-CE2 3.95Å; F690-F694 HydrophobicContact CE1-CE2 3.95Å; F690-F694 PolarHBondContact O-N 3.38Å
691	D	68.3	Low	76	Confident	110 Å²	110	70.8 Å²	70.8	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-66.3	-28	178.1	-60.6	-1	0	0	0	112.7	S689 F694 I696	S689-D691 PolarHBondContact O-N 3.38Å; S689-D691 PolarHBondContact OG-N 3.33Å; D691-F694 VanDerWaalsContact O-O 3.08Å; D691-I696 HydrophobicContact CB-CD1 4.23Å; D691-I696 WeakPolarHBondContact OD1-CD1 3.47Å
692	D	66.6	Low	75.8	Confident	125 Å²	125	70.9 Å²	70.9	67%	0.668	39%	0.387	S	S	*	.	H	α-helix	trans	-88.1	-34.5	179.3	-64.6	-35.9	0	0	0	111.9	S689 F690	S689-D692 WeakPolarHBondContact CB-OD2 3.39Å; S689-D692 PolarHBondContact O-N 3.38Å; F690-D692 VanDerWaalsContact C-N 3.27Å; F690-D692 PolarHBondContact O-N 3.33Å
693	T	69.9	Low	75.6	Confident	16 Å²	16	73.8 Å²	73.8	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-78.3	-45.5	-178.2	-57.3	0	0	0	0	111.4	K114 T688 S689 F690	K114-T693 PolarHBondContact NZ-O 3.32Å; T688-T693 WeakPolarHBondContact CB-OG1 3.09Å; T688-T693 PolarHBondContact OG1-OG1 3.01Å; S689-T693 PolarHBondContact O-N 3.18Å; S689-T693 VanDerWaalsContact O-N 3.09Å; S689-T693 PolarHBondContact O-OG1 2.9Å; F690-T693 PolarHBondContact O-N 2.93Å
694	F	71.2	Confident	75.5	Confident	99 Å²	99	75.3 Å²	75.3	43%	0.434	40%	0.404	S	S	.	.	S	Bend	trans	-101.9	137.6	179.3	-61.4	-81.7	0	0	0	110.1	F690 D691 I696	F690-F694 AromaticContact CD1-CD2 3.77Å; F690-F694 HydrophobicContact CD1-CD2 3.77Å; F690-F694 AromaticContact CD1-CE2 3.59Å; F690-F694 HydrophobicContact CD1-CE2 3.59Å; F690-F694 AromaticContact CE1-CE2 3.95Å; F690-F694 HydrophobicContact CE1-CE2 3.95Å; F690-F694 PolarHBondContact O-N 3.38Å; D691-F694 VanDerWaalsContact O-O 3.08Å; F694-I696 HydrophobicContact CB-CG1 4.26Å; F694-I696 PolarHBondContact O-N 3.14Å
695	C	67.4	Low	75.2	Confident	32 Å²	32	72 Å²	72	22%	0.216	38%	0.381	C	S	.	.			trans	-70.9	71.9	176	-61.5	0	0	0	0	111.2	G697 M698	C695-G697 PolarHBondContact O-N 3.05Å; C695-M698 HydrophobicContact CB-CB 4.01Å; C695-M698 HydrophobicContact CB-CE 4.35Å; C695-M698 WeakPolarHBondContact O-CB 3.42Å; C695-M698 PolarHBondContact O-N 3.42Å
696	I	63.3	Low	75	Confident	85 Å²	85	71.4 Å²	71.4	44%	0.436	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.6	-178.1	-61.4	-178.1	0	0	0	111.3	D691 F694 M698 R703	D691-I696 HydrophobicContact CB-CD1 4.23Å; D691-I696 WeakPolarHBondContact OD1-CD1 3.47Å; F694-I696 HydrophobicContact CB-CG1 4.26Å; F694-I696 PolarHBondContact O-N 3.14Å; I696-M698 PolarHBondContact O-N 3.11Å; I696-R703 PolarHBondContact O-NH1 3.3Å
697	G	62.6	Low	74.5	Confident	75 Å²	75	68.9 Å²	68.9	77%	0.773	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.3	171.9	0	0	0	0	0	114.5	C695	C695-G697 PolarHBondContact O-N 3.05Å
698	M	81	Confident	74.1	Confident	28 Å²	28	68.7 Å²	68.7	14%	0.138	36%	0.364	C	S	.	.	S	Bend	trans	-62.1	140.2	179.2	-179	169.3	44.2	0	0	111.7	Q261 K263 C695 I696 N700 R703	Q261-M698 HydrophobicContact CB-SD 4.02Å; Q261-M698 HydrophobicContact CG-SD 3.65Å; Q261-M698 WeakPolarHBondContact O-CG 3.39Å; K263-M698 HydrophobicContact CB-CE 3.68Å; K263-M698 HydrophobicContact CB-CG 4.49Å; K263-M698 HydrophobicContact CB-SD 4.13Å; K263-M698 HydrophobicContact CD-CE 4.16Å; K263-M698 HydrophobicContact CG-CE 4.45Å; C695-M698 HydrophobicContact CB-CB 4.01Å; C695-M698 HydrophobicContact CB-CE 4.35Å; C695-M698 WeakPolarHBondContact O-CB 3.42Å; C695-M698 PolarHBondContact O-N 3.42Å; I696-M698 PolarHBondContact O-N 3.11Å; M698-N700 PolarHBondContact O-N 2.67Å; M698-R703 PolarHBondContact O-NH2 3.02Å
699	T	80.7	Confident	74.1	Confident	41 Å²	41	69.7 Å²	69.7	25%	0.252	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	125.7	172.3	-53.7	0	0	0	0	110	K263 L533 E704	K263-T699 PolarHBondContact N-O 2.77Å; L533-T699 HydrophobicContact CD1-CG2 4.42Å; L533-T699 HydrophobicContact CG-CG2 4.35Å; T699-E704 WeakPolarHBondContact CA-OE1 3.2Å; T699-E704 WeakPolarHBondContact CG2-OE2 3.42Å
700	N	83.3	Confident	73.3	Confident	34 Å²	34	74.8 Å²	74.8	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.1	-171.5	-177	-21.3	0	0	0	111.5	M698 A702 R703 E704	M698-N700 PolarHBondContact O-N 2.67Å; N700-A702 VanDerWaalsContact C-N 3.26Å; N700-A702 PolarHBondContact O-N 3.12Å; N700-A702 WeakPolarHBondContact OD1-CB 3.5Å; N700-A702 PolarHBondContact OD1-N 3.26Å; N700-R703 HydrophobicContact CB-CB 4.02Å; N700-R703 PolarHBondContact O-N 3.42Å; N700-E704 PolarHBondContact N-OE1 3.26Å; N700-E704 VanDerWaalsContact N-OE1 3.15Å; N700-E704 WeakPolarHBondContact O-CB 3.49Å; N700-E704 PolarHBondContact O-N 3.27Å
701	S	82.2	Confident	73	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-50.9	-42	177.8	53.6	0	0	0	0	114	K263 L264 L265 R703 F705 M706	K263-S701 PolarHBondContact O-N 3.5Å; K263-S701 PolarHBondContact O-OG 3.35Å; K263-S701 VanDerWaalsContact O-OG 3.11Å; L264-S701 WeakPolarHBondContact CA-OG 3.42Å; L265-S701 PolarHBondContact N-OG 2.93Å; S701-R703 PolarHBondContact O-N 3.38Å; S701-F705 WeakPolarHBondContact O-CA 3.37Å; S701-F705 PolarHBondContact O-N 3.42Å; S701-M706 PolarHBondContact O-N 3.23Å
702	A	78.4	Confident	73.3	Confident	25 Å²	25	68.9 Å²	68.9	21%	0.207	40%	0.399	C	S	.	.	H	α-helix	trans	-69.6	-32.2	179.7	0	0	0	0	0	113	L265 N700 M706	L265-A702 HydrophobicContact CB-CB 4.28Å; L265-A702 HydrophobicContact CD2-CB 3.82Å; N700-A702 VanDerWaalsContact C-N 3.26Å; N700-A702 PolarHBondContact O-N 3.12Å; N700-A702 WeakPolarHBondContact OD1-CB 3.5Å; N700-A702 PolarHBondContact OD1-N 3.26Å; A702-M706 HydrophobicContact CB-CE 4.47Å; A702-M706 HydrophobicContact CB-SD 4.29Å; A702-M706 WeakPolarHBondContact O-CB 3.33Å
703	R	80.1	Confident	73.9	Confident	129 Å²	129	66.3 Å²	66.3	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-80.7	-37.8	-179.8	-174.7	179	64.9	-156.9	-6	111.7	I696 M698 N700 S701	I696-R703 PolarHBondContact O-NH1 3.3Å; M698-R703 PolarHBondContact O-NH2 3.02Å; N700-R703 HydrophobicContact CB-CB 4.02Å; N700-R703 PolarHBondContact O-N 3.42Å; S701-R703 PolarHBondContact O-N 3.38Å
704	E	78.8	Confident	74.4	Confident	69 Å²	69	68.8 Å²	68.8	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-101	-33.7	-166.7	-71.1	162.6	-147.2	0	0	113.3	T699 N700	T699-E704 WeakPolarHBondContact CA-OE1 3.2Å; T699-E704 WeakPolarHBondContact CG2-OE2 3.42Å; N700-E704 PolarHBondContact N-OE1 3.26Å; N700-E704 VanDerWaalsContact N-OE1 3.15Å; N700-E704 WeakPolarHBondContact O-CB 3.49Å; N700-E704 PolarHBondContact O-N 3.27Å
705	F	77.4	Confident	75.1	Confident	22 Å²	22	64.5 Å²	64.5	10%	0.096	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-22.7	-171.5	-52.3	-60.6	0	0	0	114.9	D529 R532 L533 S701 T725	D529-F705 HydrophobicContact CB-CB 3.85Å; D529-F705 HydrophobicContact CB-CD2 4.32Å; D529-F705 HydrophobicContact CB-CG 4.33Å; D529-F705 WeakPolarHBondContact OD1-CB 3.47Å; D529-F705 WeakPolarHBondContact OD2-CB 3.49Å; R532-F705 HydrophobicContact CB-CZ 4.43Å; L533-F705 HydrophobicContact CB-CE2 3.93Å; S701-F705 WeakPolarHBondContact O-CA 3.37Å; S701-F705 PolarHBondContact O-N 3.42Å; F705-T725 WeakPolarHBondContact O-CG2 3.48Å
706	M	76.8	Confident	76.1	Confident	87 Å²	87	63.1 Å²	63.1	43%	0.429	37%	0.374	S	S	.	.	S	Bend	trans	-62.9	130.1	-177.4	-173.7	177.1	77	0	0	111.5	S701 A702 K708	S701-M706 PolarHBondContact O-N 3.23Å; A702-M706 HydrophobicContact CB-CE 4.47Å; A702-M706 HydrophobicContact CB-SD 4.29Å; A702-M706 WeakPolarHBondContact O-CB 3.33Å; M706-K708 PolarHBondContact O-N 3.3Å
707	P	72.8	Confident	77.3	Confident	25 Å²	25	61 Å²	61	16%	0.162	36%	0.362	C	S	.	.			trans	-63.6	132.1	-178.9	23.7	-32.2	0	0	0	110.6	S709 V712	P707-S709 VanDerWaalsContact C-N 3.3Å; P707-V712 HydrophobicContact CB-CB 4Å; P707-V712 HydrophobicContact CB-CG1 4.12Å; P707-V712 HydrophobicContact CB-CG2 4.44Å; P707-V712 HydrophobicContact CG-CB 3.83Å; P707-V712 HydrophobicContact CG-CG1 3.75Å
708	K	73.1	Confident	78.4	Confident	177 Å²	177	59.4 Å²	59.4	77%	0.77	34%	0.337	S	S	*	.			trans	-83	-9.2	176.8	-63.1	178.7	-178.4	172.1	0	112.7	M706	M706-K708 PolarHBondContact O-N 3.3Å
709	S	73.3	Confident	78.6	Confident	73 Å²	73	61.4 Å²	61.4	51%	0.51	35%	0.351	S	S	.	.	S	Bend	trans	-86.6	133.5	179.7	46.3	0	0	0	0	111.6	P707 G711	P707-S709 VanDerWaalsContact C-N 3.3Å; S709-G711 PolarHBondContact O-N 3.02Å
710	V	60.2	Low	78.5	Confident	158 Å²	158	60.2 Å²	60.2	96%	0.958	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	128.1	175.3	-176.9	0	0	0	0	109.3
711	G	65.6	Low	77.6	Confident	81 Å²	81	66.3 Å²	66.3	84%	0.835	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.6	-6.4	175.3	0	0	0	0	0	116.1	S709	S709-G711 PolarHBondContact O-N 3.02Å
712	V	75.1	Confident	76.3	Confident	63 Å²	63	69.8 Å²	69.8	38%	0.382	39%	0.389	S	S	.	.	S	Bend	trans	-90.3	135	170.4	-175	0	0	0	0	109	P707 P714	P707-V712 HydrophobicContact CB-CB 4Å; P707-V712 HydrophobicContact CB-CG1 4.12Å; P707-V712 HydrophobicContact CB-CG2 4.44Å; P707-V712 HydrophobicContact CG-CB 3.83Å; P707-V712 HydrophobicContact CG-CG1 3.75Å; V712-P714 WeakPolarHBondContact O-CD 3.37Å
713	D	78.8	Confident	74.8	Confident	70 Å²	70	77 Å²	77	37%	0.374	42%	0.419	S	S	.	.			trans	-53.6	119.7	175.8	174.1	10.8	0	0	0	110.4	S715 T718 R720	D713-S715 PolarHBondContact O-N 3.41Å; D713-S715 WeakPolarHBondContact OD1-CB 2.92Å; D713-S715 PolarHBondContact OD1-N 3.42Å; D713-S715 WeakPolarHBondContact OD2-CB 3.18Å; D713-T718 HydrophobicContact CB-CG2 4.45Å; D713-T718 PolarHBondContact OD2-OG1 3.46Å; D713-R720 PolarHBondContact O-NH2 3.23Å
714	P	80.4	Confident	73.1	Confident	69 Å²	69	78.8 Å²	78.8	45%	0.448	43%	0.432	S	S	.	.			trans	-74.8	-7	-177.1	32	-37	0	0	0	113.2	Y267 V712	Y267-P714 HydrophobicContact CE1-CG 4.42Å; V712-P714 WeakPolarHBondContact O-CD 3.37Å
715	S	85.9	Confident	71.4	Confident	8 Å²	8	77.7 Å²	77.7	6%	0.056	43%	0.43	C	S	.	.			trans	-52.3	129.8	179.1	178	0	0	0	0	112	Y267 D713 F717 T718 R720	Y267-S715 WeakPolarHBondContact OH-CB 3.4Å; D713-S715 PolarHBondContact O-N 3.41Å; D713-S715 WeakPolarHBondContact OD1-CB 2.92Å; D713-S715 PolarHBondContact OD1-N 3.42Å; D713-S715 WeakPolarHBondContact OD2-CB 3.18Å; S715-F717 PolarHBondContact O-N 3.3Å; S715-F717 PolarHBondContact OG-N 3.21Å; S715-T718 WeakPolarHBondContact CB-OG1 3.32Å; S715-T718 PolarHBondContact O-N 3.06Å; S715-R720 PolarHBondContact O-NH2 3.12Å
716	P	87.7	Confident	69.6	Low	3 Å²	3	79.7 Å²	79.7	2%	0.019	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.9	175.9	33	-37.6	0	0	0	112.7	L264 L265 I266 T528 D529 C530	L264-P716 HydrophobicContact CD1-CB 3.61Å; L264-P716 HydrophobicContact CD1-CG 3.89Å; L264-P716 HydrophobicContact CG-CG 4.45Å; L265-P716 WeakPolarHBondContact O-CG 3.25Å; I266-P716 HydrophobicContact CG1-CG 4.08Å; T528-P716 WeakPolarHBondContact CB-O 3.38Å; D529-P716 HydrophobicContact CB-CB 4.14Å; D529-P716 PolarHBondContact N-O 2.89Å; D529-P716 VanDerWaalsContact N-O 3.09Å; C530-P716 PolarHBondContact N-O 3.49Å; C530-P716 VanDerWaalsContact N-O 3.08Å
717	F	90.2	Very high	67.6	Low	42 Å²	42	85.6 Å²	85.6	18%	0.184	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.3	178.3	-53.7	-62.7	0	0	0	113.2	L264 I266 L513 I519 L524 T528 C530 S715	L264-F717 HydrophobicContact CD2-CE1 4.42Å; L264-F717 HydrophobicContact CD2-CZ 4.27Å; I266-F717 HydrophobicContact CD1-CE2 3.87Å; I266-F717 HydrophobicContact CD1-CZ 3.61Å; I266-F717 HydrophobicContact CG1-CE2 4.04Å; I266-F717 HydrophobicContact CG1-CZ 4.07Å; I266-F717 HydrophobicContact CG2-CE2 3.96Å; L513-F717 HydrophobicContact CD1-CE1 3.76Å; L513-F717 HydrophobicContact CD1-CZ 4.09Å; I519-F717 HydrophobicContact CG2-CD1 4.1Å; I519-F717 HydrophobicContact CG2-CD2 3.94Å; I519-F717 HydrophobicContact CG2-CE1 3.77Å; I519-F717 HydrophobicContact CG2-CE2 3.58Å; I519-F717 HydrophobicContact CG2-CG 4.18Å; I519-F717 HydrophobicContact CG2-CZ 3.48Å; I519-F717 VanDerWaalsContact CG2-CZ 3.48Å; L524-F717 HydrophobicContact CD2-CD1 3.83Å; L524-F717 HydrophobicContact CD2-CE1 4.02Å; T528-F717 VanDerWaalsContact CG2-C 3.5Å; T528-F717 WeakPolarHBondContact CG2-O 3.21Å; C530-F717 HydrophobicContact CB-CD1 3.98Å; C530-F717 HydrophobicContact CB-CE1 3.85Å; S715-F717 PolarHBondContact O-N 3.3Å; S715-F717 PolarHBondContact OG-N 3.21Å
718	T	85.6	Confident	65.8	Low	41 Å²	41	88.2 Å²	88.2	25%	0.252	50%	0.5	S	S	.	.	S	Bend	trans	-84.5	132.8	178.3	-63.3	0	0	0	0	110	D713 S715 R720	D713-T718 HydrophobicContact CB-CG2 4.45Å; D713-T718 PolarHBondContact OD2-OG1 3.46Å; S715-T718 WeakPolarHBondContact CB-OG1 3.32Å; S715-T718 PolarHBondContact O-N 3.06Å; T718-R720 PolarHBondContact O-N 3.08Å
719	V	83.9	Confident	64.1	Low	70 Å²	70	85.8 Å²	85.8	42%	0.424	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-71.6	123.9	179.9	175.9	0	0	0	0	109.1	Q525 D527 T528	Q525-V719 HydrophobicContact CB-CG2 3.91Å; D527-V719 HydrophobicContact CB-CG1 4.05Å; T528-V719 HydrophobicContact CG2-CG2 3.98Å
720	R	78.6	Confident	62.1	Low	16 Å²	16	91 Å²	91	6%	0.06	52%	0.52	C	S	.	.			trans	-125.8	145.3	177.7	-55.5	-166	-171	104.6	-0.8	110	D527 D529 R532 D713 S715 T718	D527-R720 PolarHBondContact O-N 3Å; D527-R720 VanDerWaalsContact O-N 3.08Å; D529-R720 IonicContact OD1-NH1 3.79Å; D529-R720 PolarHBondContact OD1-NH1 3.23Å; D529-R720 IonicContact OD2-CZ 2.92Å; D529-R720 IonicContact OD2-NH1 2.71Å; D529-R720 PolarHBondContact OD2-NH1 3.25Å; R532-R720 PolarHBondContact NH2-O 3.15Å; D713-R720 PolarHBondContact O-NH2 3.23Å; S715-R720 PolarHBondContact O-NH2 3.12Å; T718-R720 PolarHBondContact O-N 3.08Å
721	K	65.3	Low	60.6	Low	161 Å²	161	87.1 Å²	87.1	70%	0.7	51%	0.513	S	S	*	.			trans	-79.5	143.8	174.3	-72.8	-175.5	179.5	178.1	0	110.5	E723 E724	K721-E723 PolarHBondContact O-N 3.42Å; K721-E723 VanDerWaalsContact O-N 3.13Å; K721-E724 PolarHBondContact O-N 3.47Å
722	P	55.3	Low	58.9	Low	76 Å²	76	93.7 Å²	93.7	49%	0.494	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-59.3	-23.9	-176.6	-23.2	31.9	0	0	0	115.3	E724	P722-E724 VanDerWaalsContact C-N 3.34Å; P722-E724 PolarHBondContact O-N 2.99Å
723	E	46.3	Very low	56.6	Low	177 Å²	177	96.4 Å²	96.4	83%	0.827	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-75.2	-17.5	-173.8	-66.9	-172.5	156.6	0	0	114.3	K721	K721-E723 PolarHBondContact O-N 3.42Å; K721-E723 VanDerWaalsContact O-N 3.13Å
724	E	43.5	Very low	54.2	Low	166 Å²	166	98.3 Å²	98.3	78%	0.776	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-87.9	-16.8	-179.1	-70	-178.4	167.1	0	0	113.5	K721 P722	K721-E724 PolarHBondContact O-N 3.47Å; P722-E724 VanDerWaalsContact C-N 3.34Å; P722-E724 PolarHBondContact O-N 2.99Å
725	T	44.1	Very low	51.8	Low	46 Å²	46	103.6 Å²	103.6	28%	0.282	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	-14.5	-177.4	26.7	0	0	0	0	114.3	F705	F705-T725 WeakPolarHBondContact O-CG2 3.48Å
726	G	38.9	Very low	49.1	Very low	64 Å²	64	111.3 Å²	111.3	66%	0.66	61%	0.61	S	S	*	*			trans	-90.2	-3.4	-166.3	0	0	0	0	0	118.9
727	K	35.6	Very low	46.2	Very low	212 Å²	212	120.7 Å²	120.7	92%	0.922	65%	0.653	S	S	*	*	S	Bend	trans	-88.3	4.9	-171.5	-87.5	-172.5	179.5	178.2	0	117.1
728	S	34	Very low	43.2	Very low	80 Å²	80	125.4 Å²	125.4	56%	0.559	69%	0.686	S	S	*	*	S	Bend	trans	-118.4	8.1	-172	79	0	0	0	0	118.3
729	V	37	Very low	40.7	Very low	126 Å²	126	130.4 Å²	130.4	76%	0.764	71%	0.709	S	S	*	*	S	Bend	trans	-135.2	67.9	179.6	-164.6	0	0	0	0	112
730	L	32.2	Very low	37.9	Very low	182 Å²	182	134.9 Å²	134.9	95%	0.953	73%	0.73	S	S	*	*	S	Bend	trans	-165.3	109.8	151.6	-103.5	137.9	0	0	0	109.6
731	G	28.4	Very low	35.5	Very low	77 Å²	77	142.1 Å²	142.1	79%	0.794	77%	0.765	S	S	*	*			trans	96.2	98.4	154.8	0	0	0	0	0	118.3
732	K	30.7	Very low	33.7	Very low	218 Å²	218	146 Å²	146	95%	0.948	78%	0.775	S	S	*	*			trans	-80.5	106	142.3	-90	-176.5	176.2	177.5	0	107.9
733	S	26.9	Very low	32.3	Very low	121 Å²	121	151.2 Å²	151.2	85%	0.846	79%	0.79	S	S	*	*			trans	-154.8	134.1	141.6	63.9	0	0	0	0	109.1
734	S	27.1	Very low	31.5	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	79%	0.79	S	S	*	*			trans	-78.2	133.4	-174.6	52.6	0	0	0	0	112.6
735	K	29.9	Very low	30.6	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	80%	0.795	S	S	*	*				161	128.9	112.6	-94.5	-177.7	172.6	-176.2	0	111.9
736	E	29.1	Very low	29.8	Very low	169 Å²	169	148.9 Å²	148.9	79%	0.79	82%	0.82	S	S	*	*			trans	43.4	102	146.2	-67	173.1	152.9	0	0	119.2
737	E	27.1	Very low	29.5	Very low	201 Å²	201	152 Å²	152	94%	0.939	83%	0.831	S	S	*	*			trans	-112.9	106.9	148.9	-88.4	-172.7	160.6	0	0	110.1
738	T	27.8	Very low	29.2	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	82%	0.824	S	S	*	*			trans	-60.9	132.3	165.5	5.7	0	0	0	0	110.9	L740	T738-L740 PolarHBondContact O-N 3.36Å
739	I	32	Very low	29	Very low	145 Å²	145	148.1 Å²	148.1	74%	0.744	83%	0.834	S	S	*	*			trans	-52.2	124.9	172.4	-64.9	158.5	0	0	0	110.9	Q741	I739-Q741 HydrophobicContact CG2-CG 4.26Å
740	L	26.7	Very low	28.8	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	84%	0.835	S	S	*	*			trans	-136.6	89.9	154.2	-127.8	141.2	0	0	0	109.7	T738	T738-L740 PolarHBondContact O-N 3.36Å
741	Q	28.3	Very low	28.9	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	83%	0.826	S	S	*	*			trans	-61.4	127.4	163	-73.3	176.8	-13.9	0	0	109.2	I739	I739-Q741 HydrophobicContact CG2-CG 4.26Å
742	R	25.8	Very low	29	Very low	242 Å²	242	146.6 Å²	146.6	91%	0.913	82%	0.824	S	S	*	*			trans	-133.2	123.8	151.1	-144.5	171.9	-167.7	160.9	2.8	110.2
743	K	27.8	Very low	29.1	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	82%	0.818	S	S	*	*			trans	-69.4	154.5	-176.2	-73.5	174.4	172.6	176.8	0	112.5
744	T	28.8	Very low	29.3	Very low	136 Å²	136	145.1 Å²	145.1	83%	0.834	82%	0.82	S	S	*	*			trans	-34.4	144.8	166.8	29.2	0	0	0	0	119.6
745	A	25	Very low	29.3	Very low	105 Å²	105	148.9 Å²	148.9	87%	0.868	83%	0.826	S	S	*	*			trans	172.8	143.7	134	0	0	0	0	0	106.6
746	A	27.1	Very low	29.3	Very low	99 Å²	99	144 Å²	144	82%	0.818	82%	0.819	S	S	*	*			cis	-158.9	171.5	6.9	0	0	0	0	0	108.1
747	S	32.6	Very low	29.1	Very low	128 Å²	128	145.7 Å²	145.7	90%	0.895	83%	0.829	S	S	*	*			trans	-45.9	139.8	178	-60.6	0	0	0	0	116.5
748	A	28.2	Very low	29.2	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	82%	0.819	S	S	*	*			trans	-149.6	148.8	152.2	0	0	0	0	0	110.3
749	P	31.6	Very low	29.2	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.3	166	-170.4	19.5	-8.8	0	0	0	113.3
750	P	32.6	Very low	29.1	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72.4	142.7	-174	29.9	-33.5	0	0	0	111.9
751	P	32.8	Very low	29.2	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.1	158.2	173.2	31.4	-32	0	0	0	111.8
752	P	31.3	Very low	29.3	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.2	157.8	-172.8	32.6	-35	0	0	0	112.5
753	S	32.7	Very low	29.5	Very low	119 Å²	119	132.9 Å²	132.9	83%	0.832	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.3	123.5	172.4	49.1	0	0	0	0	111.7
754	E	30.7	Very low	29.5	Very low	188 Å²	188	132 Å²	132	88%	0.879	82%	0.816	S	S	*	*			trans	-98.6	104.6	167.9	-73.6	-169.7	166.8	0	0	111
755	E	28	Very low	29.8	Very low	189 Å²	189	130.1 Å²	130.1	88%	0.883	81%	0.809	S	S	*	*			trans	-65.1	126.6	136.3	-62.7	-175.5	149.3	0	0	108.1
756	A	29.5	Very low	30	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	81%	0.808	S	S	*	*			trans	154.1	108.2	138.8	0	0	0	0	0	111.1
757	M	25.5	Very low	30.2	Very low	204 Å²	204	137.4 Å²	137.4	100%	1.005	81%	0.808	S	S	*	*			trans	-129.7	78.5	141.2	-66.4	-79.1	-99.4	0	0	104.5
758	S	29	Very low	30.2	Very low	105 Å²	105	139 Å²	139	73%	0.734	81%	0.806	S	S	*	*			trans	-99.6	122.9	168.8	54.2	0	0	0	0	108.8	T760	S758-T760 PolarHBondContact O-N 3.38Å
759	S	27.4	Very low	30.4	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	81%	0.811	S	S	*	*			trans	-73.1	113.1	164.1	51.4	0	0	0	0	109.6
760	T	29	Very low	30.3	Very low	136 Å²	136	147.8 Å²	147.8	83%	0.834	82%	0.816	S	S	*	*			trans	17.7	126.9	146.1	52.4	0	0	0	0	120.1	S758	S758-T760 PolarHBondContact O-N 3.38Å
761	S	30	Very low	30.1	Very low	107 Å²	107	149.9 Å²	149.9	75%	0.748	82%	0.821	S	S	*	*			trans	-63.6	146.9	169.2	47.4	0	0	0	0	115.3
762	E	30.6	Very low	29.9	Very low	201 Å²	201	153.4 Å²	153.4	94%	0.939	83%	0.827	S	S	*	*			trans	-119.4	136.2	135	-74	-173.5	164.9	0	0	107.8
763	D	30.5	Very low	29.8	Very low	132 Å²	132	151.7 Å²	151.7	71%	0.706	83%	0.83	S	S	*	*			trans	-93.7	135.2	-174.4	-163.5	5.6	0	0	0	107.1	S765	D763-S765 PolarHBondContact OD1-OG 3.15Å
764	D	27.9	Very low	29.4	Very low	168 Å²	168	151.2 Å²	151.2	90%	0.898	83%	0.827	S	S	*	*			trans	-153.7	113.3	153.9	-113.5	-14.9	0	0	0	108
765	S	34.3	Very low	29.2	Very low	97 Å²	97	148.9 Å²	148.9	68%	0.678	83%	0.825	S	S	*	*			trans	-116.2	106.9	-178.7	-61.1	0	0	0	0	107.9	D763	D763-S765 PolarHBondContact OD1-OG 3.15Å
766	E	29	Very low	29.1	Very low	184 Å²	184	144 Å²	144	86%	0.86	81%	0.812	S	S	*	*			trans	-150.8	105.8	156.1	-71.1	-159.1	165.6	0	0	107.2
767	E	30.8	Very low	29	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	82%	0.82	S	S	*	*				72.7	113.7	96.9	-76.7	-164.1	177.9	0	0	114.9
768	D	32.7	Very low	29	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	81%	0.812	S	S	*	*			trans	-52.6	130.8	167.5	-72	-50.2	0	0	0	111.7
769	R	31.9	Very low	28.9	Very low	231 Å²	231	149 Å²	149	87%	0.872	81%	0.809	S	S	*	*			trans	-138.1	116.5	151.9	-71.4	-166.7	-166.7	-178.2	7.4	110.6
770	D	31.3	Very low	28.7	Very low	163 Å²	163	149 Å²	149	87%	0.872	81%	0.805	S	S	*	*			trans	-56.9	136.1	157.5	-65.1	-54.2	0	0	0	110
771	D	28.7	Very low	28.7	Very low	167 Å²	167	148.3 Å²	148.3	89%	0.893	80%	0.802	S	S	*	*			trans	-144.2	118.3	152.9	-145.4	2.8	0	0	0	110.2
772	E	28.2	Very low	28.5	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	80%	0.798	S	S	*	*			trans	-77.5	137	170.2	-82.2	-155.4	149.8	0	0	110.2
773	G	27.7	Very low	28.2	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	80%	0.797	S	S	*	*			trans	-147.3	92.6	171	0	0	0	0	0	111.1
774	S	25.4	Very low	28	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	80%	0.801	S	S	*	*			trans	-62.6	173.1	-178.5	53.6	0	0	0	0	117.2
775	V	25.3	Very low	27.8	Very low	138 Å²	138	150.4 Å²	150.4	84%	0.836	80%	0.798	S	S	*	*			trans	108.9	122.5	159.5	-174.3	0	0	0	0	113
776	S	26.7	Very low	27.4	Very low	88 Å²	88	151.3 Å²	151.3	62%	0.615	80%	0.8	S	S	*	*			cis	-162.8	137.5	8.8	-150.8	0	0	0	0	111
777	Q	27.4	Very low	27.3	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.804	80%	0.801	S	S	*	*				44.5	127.8	129.2	-55.5	-176.3	2.3	0	0	119.7
778	R	25.8	Very low	27	Very low	224 Å²	224	149.5 Å²	149.5	85%	0.845	81%	0.806	S	S	*	*				-170.6	114.7	64.6	-115.2	177.1	178.2	171.7	-2.3	108.2
779	S	25.9	Very low	26.6	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	80%	0.8	S	S	*	*				92.1	94	91	65.8	0	0	0	0	115.9
780	T	24.1	Very low	26.3	Very low	114 Å²	114	143.3 Å²	143.3	70%	0.699	80%	0.801	S	S	*	*				14.7	153.5	121.1	44.9	0	0	0	0	120.3	I782	T780-I782 HydrophobicContact CG2-CD1 4.44Å; T780-I782 HydrophobicContact CG2-CG1 4.45Å
781	P	28.3	Very low	26.3	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	80%	0.801	S	S	*	*				-147.1	137	51	37.2	-14.7	0	0	0	121
782	I	25.8	Very low	26.3	Very low	128 Å²	128	136.9 Å²	136.9	66%	0.656	79%	0.793	S	S	*	*				12.5	132.9	124.5	-56.5	166.6	0	0	0	118.5	T780	T780-I782 HydrophobicContact CG2-CD1 4.44Å; T780-I782 HydrophobicContact CG2-CG1 4.45Å
783	K	24.7	Very low	26.3	Very low	210 Å²	210	138.8 Å²	138.8	91%	0.913	79%	0.792	S	S	*	*				-144.1	111.4	125.9	-102.7	-179.3	-175.1	179.7	0	111.2
784	L	25.6	Very low	26.6	Very low	151 Å²	151	141.3 Å²	141.3	79%	0.791	79%	0.792	S	S	*	*			trans	-85.1	140.1	163.9	-104.7	125.2	0	0	0	109.2
785	L	25.4	Very low	26.8	Very low	162 Å²	162	144.1 Å²	144.1	85%	0.848	79%	0.793	S	S	*	*			trans	-142.9	102.1	153.6	-81.3	173.9	0	0	0	110.1
786	T	25	Very low	26.9	Very low	116 Å²	116	144.5 Å²	144.5	71%	0.712	79%	0.785	S	S	*	*			trans	38	114.4	133.5	47.6	0	0	0	0	122.4
787	E	26.5	Very low	27.1	Very low	188 Å²	188	148 Å²	148	88%	0.879	79%	0.792	S	S	*	*			trans	22.4	132.2	134.5	-62.8	-175.6	160.5	0	0	122.6
788	S	24.1	Very low	27.3	Very low	130 Å²	130	144.2 Å²	144.2	91%	0.909	78%	0.78	S	S	*	*				-173.3	158.2	118	29.7	0	0	0	0	110.9
789	G	25.3	Very low	27.4	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	77%	0.773	S	S	*	*			trans	-85.3	164.7	-156.6	0	0	0	0	0	118.3
790	E	25.5	Very low	27.6	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	77%	0.774	S	S	*	*			trans	76.9	128.4	143.2	-66.2	-167.9	159.1	0	0	123.5
791	S	30.9	Very low	27.9	Very low	124 Å²	124	143.9 Å²	143.9	87%	0.867	77%	0.773	S	S	*	*			trans	79.3	104.9	150.2	73.6	0	0	0	0	118.5
792	G	29.8	Very low	28	Very low	70 Å²	70	144.9 Å²	144.9	72%	0.722	77%	0.768	S	S	*	*			trans	152.5	46.3	168.7	0	0	0	0	0	115.8
793	R	28.2	Very low	28.2	Very low	232 Å²	232	142.3 Å²	142.3	88%	0.875	77%	0.765	S	S	*	*			trans	-124.8	71.8	171.7	-77.9	-172.3	172.7	174.7	-1.3	110.7
794	T	32.3	Very low	28.5	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	76%	0.759	S	S	*	*	S	Bend	trans	-155.4	17.8	163.9	-9.3	0	0	0	0	113.2
795	Q	29.2	Very low	28.7	Very low	169 Å²	169	138 Å²	138	79%	0.79	76%	0.755	S	S	*	*	S	Bend	trans	-127.9	-13.1	177.7	-103.9	175.2	-14	0	0	114.9
796	E	29.4	Very low	28.9	Very low	146 Å²	146	137.7 Å²	137.7	68%	0.682	75%	0.753	S	S	*	*	H	α-helix	trans	-87.5	-21.2	177.1	-75.6	-176.4	153.2	0	0	114.3	V798	E796-V798 VanDerWaalsContact C-N 3.29Å; E796-V798 PolarHBondContact O-N 3.49Å
797	E	30.3	Very low	29.2	Very low	162 Å²	162	142.4 Å²	142.4	76%	0.757	76%	0.758	S	S	*	*	H	α-helix	trans	-74.5	-19.2	176.3	-76.4	-177	161.2	0	0	113.1
798	V	32.1	Very low	29.8	Very low	92 Å²	92	140.6 Å²	140.6	56%	0.558	75%	0.753	S	S	*	*	H	α-helix	trans	-87.2	-24.1	-179.4	-178.7	0	0	0	0	112.4	E796	E796-V798 VanDerWaalsContact C-N 3.29Å; E796-V798 PolarHBondContact O-N 3.49Å
799	Q	28	Very low	30.5	Very low	149 Å²	149	142.4 Å²	142.4	70%	0.696	75%	0.752	S	S	*	*	H	α-helix	trans	-86	-26.1	178.3	-82.8	-178.8	-16.6	0	0	114.1	Q801	Q799-Q801 VanDerWaalsContact C-N 3.34Å
800	L	29.7	Very low	31.2	Very low	127 Å²	127	143.6 Å²	143.6	67%	0.665	76%	0.755	S	S	*	*	H	α-helix	trans	-75.1	-23.4	175.2	-88.1	151.6	0	0	0	113.2
801	Q	31	Very low	32	Very low	149 Å²	149	142.8 Å²	142.8	70%	0.696	75%	0.751	S	S	*	*	H	α-helix	trans	-84.8	-25.3	180	-131.6	156	3.4	0	0	113	Q799 T805	Q799-Q801 VanDerWaalsContact C-N 3.34Å; Q801-T805 PolarHBondContact O-OG1 3.47Å
802	Q	29.9	Very low	32.6	Very low	143 Å²	143	142.6 Å²	142.6	67%	0.668	75%	0.748	S	S	*	*	H	α-helix	trans	-80.7	-23.7	173.2	-85.5	176	-25.7	0	0	113.6
803	A	28.8	Very low	34.1	Very low	73 Å²	73	143 Å²	143	60%	0.603	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-14.7	179.3	0	0	0	0	0	114.8
804	M	30.8	Very low	36.2	Very low	159 Å²	159	134.7 Å²	134.7	78%	0.783	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-4	178.1	-81.3	-170.9	173.8	0	0	114.4
805	T	30.7	Very low	37.7	Very low	113 Å²	113	136 Å²	136	69%	0.693	72%	0.716	S	S	*	*	S	Bend	trans	-90.2	-11.6	-175.5	-41.8	0	0	0	0	113	Q801	Q801-T805 PolarHBondContact O-OG1 3.47Å
806	D	30	Very low	39.5	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	71%	0.712	S	S	*	*	S	Bend	trans	-108.3	17.9	-176.7	-87.3	-10.2	0	0	0	115
807	R	31.5	Very low	41.3	Very low	216 Å²	216	133 Å²	133	82%	0.815	71%	0.705	S	S	*	*			trans	-132.6	68	176.9	-78.4	-169.2	172.3	-168.4	-4.4	113.3
808	I	38.6	Very low	43.2	Very low	150 Å²	150	129.1 Å²	129.1	77%	0.769	69%	0.689	S	S	*	*	S	Bend	trans	-135	124	157.1	-65.3	-174.8	0	0	0	108.9
809	L	39.5	Very low	44.9	Very low	168 Å²	168	128.7 Å²	128.7	88%	0.88	68%	0.683	S	S	*	*	S	Bend	trans	76.2	68.7	164.8	-64.9	158.6	0	0	0	118.8
810	A	39.5	Very low	47.1	Very low	97 Å²	97	126 Å²	126	80%	0.802	67%	0.672	S	S	*	*			trans	-179.4	68	140.4	0	0	0	0	0	111.4
811	E	42.5	Very low	49.1	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.822	67%	0.672	S	S	*	*			trans	-155	120	158.2	-111.2	163.1	-156.3	0	0	106.4
812	C	43	Very low	50.9	Low	120 Å²	120	126.6 Å²	126.6	81%	0.811	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-52.5	140.3	167	-71.1	0	0	0	0	108	A814	C812-A814 PolarHBondContact O-N 3.17Å
813	P	61.2	Low	52.6	Low	77 Å²	77	128.2 Å²	128.2	50%	0.5	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-52.2	141.7	173.9	19.6	-29.2	0	0	0	109.6	L818	P813-L818 HydrophobicContact CB-CG 4.24Å; P813-L818 HydrophobicContact CG-CD1 4.09Å; P813-L818 HydrophobicContact CG-CD2 3.9Å; P813-L818 HydrophobicContact CG-CG 3.82Å
814	A	72.8	Confident	54.4	Low	58 Å²	58	132 Å²	132	48%	0.479	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-54.3	143.5	179.3	0	0	0	0	0	109.6	C812 E816 D817 L818	C812-A814 PolarHBondContact O-N 3.17Å; A814-E816 PolarHBondContact O-N 3.31Å; A814-D817 WeakPolarHBondContact O-CB 3.48Å; A814-D817 PolarHBondContact O-N 3.47Å; A814-L818 PolarHBondContact O-N 2.98Å; A814-L818 VanDerWaalsContact O-N 3.08Å
815	E	63.8	Low	56	Low	159 Å²	159	126.7 Å²	126.7	74%	0.743	65%	0.65	S	S	*	*	H	α-helix	trans	-56.1	-29.6	-176.6	-160.3	172.8	-169.8	0	0	111.8	L819	E815-L819 WeakPolarHBondContact O-CB 3.33Å; E815-L819 WeakPolarHBondContact O-CD1 3.45Å; E815-L819 VanDerWaalsContact O-CG 3.26Å; E815-L819 WeakPolarHBondContact O-CG 3.44Å; E815-L819 PolarHBondContact O-N 3.03Å
816	E	66.4	Low	57.4	Low	152 Å²	152	126.6 Å²	126.6	71%	0.71	64%	0.642	S	S	*	*	H	α-helix	trans	-66.8	-39.9	173.3	-61.9	-174.5	177.4	0	0	113.2	A814 L819 I820	A814-E816 PolarHBondContact O-N 3.31Å; E816-L819 PolarHBondContact O-N 3.28Å; E816-I820 WeakPolarHBondContact O-CD1 3.47Å; E816-I820 VanDerWaalsContact O-CG1 3.23Å; E816-I820 WeakPolarHBondContact O-CG1 3.4Å; E816-I820 PolarHBondContact O-N 3.06Å
817	D	67.4	Low	58.9	Low	98 Å²	98	124.4 Å²	124.4	52%	0.524	63%	0.63	S	S	.	*	H	α-helix	trans	-72	-35.6	177.4	-69.2	-31.8	0	0	0	111.5	A814 I820 Y821	A814-D817 WeakPolarHBondContact O-CB 3.48Å; A814-D817 PolarHBondContact O-N 3.47Å; D817-I820 PolarHBondContact O-N 3.44Å; D817-Y821 WeakPolarHBondContact O-CB 3.27Å; D817-Y821 PolarHBondContact O-N 3.43Å
818	L	69.3	Low	59.7	Low	81 Å²	81	115.4 Å²	115.4	42%	0.424	60%	0.604	S	S	.	*	H	α-helix	trans	-64	-41.8	171.3	-79.1	165.9	0	0	0	111.4	P813 A814 Y821 E822	P813-L818 HydrophobicContact CB-CG 4.24Å; P813-L818 HydrophobicContact CG-CD1 4.09Å; P813-L818 HydrophobicContact CG-CD2 3.9Å; P813-L818 HydrophobicContact CG-CG 3.82Å; A814-L818 PolarHBondContact O-N 2.98Å; A814-L818 VanDerWaalsContact O-N 3.08Å; L818-Y821 PolarHBondContact O-N 3.5Å; L818-E822 WeakPolarHBondContact O-CB 3.42Å; L818-E822 PolarHBondContact O-N 3.15Å
819	L	69.1	Low	60.5	Low	84 Å²	84	114 Å²	114	44%	0.44	59%	0.594	S	S	.	*	H	α-helix	trans	-66.8	-35.6	175.4	-78.3	164.8	0	0	0	112.3	E815 E816 R823	E815-L819 WeakPolarHBondContact O-CB 3.33Å; E815-L819 WeakPolarHBondContact O-CD1 3.45Å; E815-L819 VanDerWaalsContact O-CG 3.26Å; E815-L819 WeakPolarHBondContact O-CG 3.44Å; E815-L819 PolarHBondContact O-N 3.03Å; E816-L819 PolarHBondContact O-N 3.28Å; L819-R823 VanDerWaalsContact O-CB 3.23Å; L819-R823 WeakPolarHBondContact O-CB 3.48Å; L819-R823 PolarHBondContact O-N 3.36Å
820	I	74.4	Confident	60.9	Low	91 Å²	91	110.5 Å²	110.5	47%	0.467	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-43.5	173.9	-68.9	163	0	0	0	110.1	E816 D817 R823 F824	E816-I820 WeakPolarHBondContact O-CD1 3.47Å; E816-I820 VanDerWaalsContact O-CG1 3.23Å; E816-I820 WeakPolarHBondContact O-CG1 3.4Å; E816-I820 PolarHBondContact O-N 3.06Å; D817-I820 PolarHBondContact O-N 3.44Å; I820-R823 PolarHBondContact O-N 3.47Å; I820-F824 HydrophobicContact CG2-CD2 4.08Å; I820-F824 HydrophobicContact CG2-CE2 4.44Å; I820-F824 WeakPolarHBondContact O-CB 3.29Å; I820-F824 PolarHBondContact O-N 3.1Å
821	Y	71.1	Confident	61.3	Low	168 Å²	168	112.3 Å²	112.3	66%	0.659	57%	0.568	S	S	*	*	H	α-helix	trans	-62.9	-46.4	175.7	179.2	-96.8	0	0	0	111.9	D817 L818 R823 F824 A825	D817-Y821 WeakPolarHBondContact O-CB 3.27Å; D817-Y821 PolarHBondContact O-N 3.43Å; L818-Y821 PolarHBondContact O-N 3.5Å; Y821-R823 VanDerWaalsContact C-N 3.29Å; Y821-R823 PolarHBondContact O-N 2.92Å; Y821-F824 PolarHBondContact O-N 3.06Å; Y821-A825 WeakPolarHBondContact O-CB 3.36Å; Y821-A825 PolarHBondContact O-N 3Å
822	E	67.6	Low	61.5	Low	121 Å²	121	109.8 Å²	109.8	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-59	-41.8	173.8	-87.1	-170.3	156.1	0	0	111.2	L818 F824 A825 H826	L818-E822 WeakPolarHBondContact O-CB 3.42Å; L818-E822 PolarHBondContact O-N 3.15Å; E822-F824 VanDerWaalsContact C-N 3.33Å; E822-F824 PolarHBondContact O-N 3.47Å; E822-A825 PolarHBondContact O-N 3.43Å; E822-H826 WeakPolarHBondContact O-CB 3.31Å; E822-H826 PolarHBondContact O-N 3.35Å
823	R	66.6	Low	61.8	Low	178 Å²	178	107.7 Å²	107.7	67%	0.672	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-36.1	178	-152.8	-178.5	-62.2	-172	1.4	111.9	L819 I820 Y821 L827	L819-R823 VanDerWaalsContact O-CB 3.23Å; L819-R823 WeakPolarHBondContact O-CB 3.48Å; L819-R823 PolarHBondContact O-N 3.36Å; I820-R823 PolarHBondContact O-N 3.47Å; Y821-R823 VanDerWaalsContact C-N 3.29Å; Y821-R823 PolarHBondContact O-N 2.92Å; R823-L827 PolarHBondContact O-N 3.19Å; R823-L827 VanDerWaalsContact O-N 3.07Å
824	F	66.4	Low	61.2	Low	153 Å²	153	108.2 Å²	108.2	67%	0.671	54%	0.541	S	S	*	.	H	α-helix	trans	-70.4	-42.3	173.1	-103.6	-83.1	0	0	0	112.5	I820 Y821 E822 L827 G828	I820-F824 HydrophobicContact CG2-CD2 4.08Å; I820-F824 HydrophobicContact CG2-CE2 4.44Å; I820-F824 WeakPolarHBondContact O-CB 3.29Å; I820-F824 PolarHBondContact O-N 3.1Å; Y821-F824 PolarHBondContact O-N 3.06Å; E822-F824 VanDerWaalsContact C-N 3.33Å; E822-F824 PolarHBondContact O-N 3.47Å; F824-L827 WeakPolarHBondContact O-CB 3.34Å; F824-L827 PolarHBondContact O-N 3.38Å; F824-G828 PolarHBondContact O-N 3.08Å; F824-G828 VanDerWaalsContact O-N 3.08Å
825	A	64.5	Low	59.9	Low	47 Å²	47	110.2 Å²	110.2	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.1	0	0	0	0	0	111.1	Y821 E822 L827 G828 E829	Y821-A825 WeakPolarHBondContact O-CB 3.36Å; Y821-A825 PolarHBondContact O-N 3Å; E822-A825 PolarHBondContact O-N 3.43Å; A825-L827 VanDerWaalsContact C-N 3.3Å; A825-L827 PolarHBondContact O-N 2.8Å; A825-G828 PolarHBondContact O-N 3.29Å; A825-G828 VanDerWaalsContact O-N 3.15Å; A825-E829 PolarHBondContact O-N 2.99Å
826	H	60.6	Low	59	Low	111 Å²	111	109.8 Å²	109.8	51%	0.514	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-33.1	173.1	-109.9	-64.2	0	0	0	112.8	E822 G828 E829 N830	E822-H826 WeakPolarHBondContact O-CB 3.31Å; E822-H826 PolarHBondContact O-N 3.35Å; H826-G828 VanDerWaalsContact C-N 3.33Å; H826-E829 IonicContact ND1-OE2 3.99Å; H826-E829 PolarHBondContact O-N 3.35Å; H826-N830 VanDerWaalsContact O-CB 3.31Å; H826-N830 WeakPolarHBondContact O-CB 3.28Å; H826-N830 PolarHBondContact O-N 3.2Å; H826-N830 PolarHBondContact O-ND2 2.69Å
827	L	60.7	Low	57.9	Low	108 Å²	108	106.3 Å²	106.3	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-40.3	173.4	-124.5	105.1	0	0	0	111.4	R823 F824 A825 N830 Q831	R823-L827 PolarHBondContact O-N 3.19Å; R823-L827 VanDerWaalsContact O-N 3.07Å; F824-L827 WeakPolarHBondContact O-CB 3.34Å; F824-L827 PolarHBondContact O-N 3.38Å; A825-L827 VanDerWaalsContact C-N 3.3Å; A825-L827 PolarHBondContact O-N 2.8Å; L827-N830 PolarHBondContact O-N 3.09Å; L827-Q831 PolarHBondContact O-N 2.99Å; L827-Q831 VanDerWaalsContact O-N 3.09Å
828	G	48.7	Very low	56.9	Low	26 Å²	26	107.4 Å²	107.4	27%	0.268	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-42.7	174.4	0	0	0	0	0	112.9	F824 A825 H826 N830 Q831 H832	F824-G828 PolarHBondContact O-N 3.08Å; F824-G828 VanDerWaalsContact O-N 3.08Å; A825-G828 PolarHBondContact O-N 3.29Å; A825-G828 VanDerWaalsContact O-N 3.15Å; H826-G828 VanDerWaalsContact C-N 3.33Å; G828-N830 VanDerWaalsContact C-N 3.34Å; G828-N830 PolarHBondContact O-N 3.48Å; G828-Q831 PolarHBondContact O-N 3.17Å; G828-H832 PolarHBondContact O-CD2 3.15Å; G828-H832 PolarHBondContact O-N 2.78Å; G828-H832 VanDerWaalsContact O-N 3.08Å
829	E	54.4	Low	55.6	Low	121 Å²	121	112.3 Å²	112.3	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-64.9	-36.5	175.3	-74.5	-171.9	157.1	0	0	112.9	A825 H826 H832 T833	A825-E829 PolarHBondContact O-N 2.99Å; H826-E829 IonicContact ND1-OE2 3.99Å; H826-E829 PolarHBondContact O-N 3.35Å; E829-H832 PolarHBondContact O-N 2.82Å; E829-T833 PolarHBondContact O-N 3.41Å; E829-T833 PolarHBondContact O-OG1 2.95Å
830	N	48	Very low	54.6	Low	94 Å²	94	113.3 Å²	113.3	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-70.7	-34.5	177.2	-73.4	-20.6	0	0	0	112.4	H826 L827 G828 T833 V834	H826-N830 VanDerWaalsContact O-CB 3.31Å; H826-N830 WeakPolarHBondContact O-CB 3.28Å; H826-N830 PolarHBondContact O-N 3.2Å; H826-N830 PolarHBondContact O-ND2 2.69Å; L827-N830 PolarHBondContact O-N 3.09Å; G828-N830 VanDerWaalsContact C-N 3.34Å; G828-N830 PolarHBondContact O-N 3.48Å; N830-T833 VanDerWaalsContact CA-OG1 3.28Å; N830-T833 WeakPolarHBondContact CA-OG1 3.32Å; N830-T833 PolarHBondContact O-OG1 3.2Å; N830-T833 VanDerWaalsContact O-OG1 3.14Å; N830-V834 VanDerWaalsContact O-CG2 3.32Å; N830-V834 WeakPolarHBondContact O-CG2 3.34Å; N830-V834 PolarHBondContact O-N 3.47Å
831	Q	48.9	Very low	53	Low	136 Å²	136	113.3 Å²	113.3	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-65.1	-40.2	168.6	-85.1	-175.6	-21.4	0	0	112.1	L827 G828 T833 V834 E835	L827-Q831 PolarHBondContact O-N 2.99Å; L827-Q831 VanDerWaalsContact O-N 3.09Å; G828-Q831 PolarHBondContact O-N 3.17Å; Q831-T833 VanDerWaalsContact C-N 3.34Å; Q831-T833 PolarHBondContact O-N 3.08Å; Q831-V834 PolarHBondContact O-N 3.09Å; Q831-E835 PolarHBondContact O-N 3.07Å
832	H	46.2	Very low	51.6	Low	122 Å²	122	110.4 Å²	110.4	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-68.8	-27.5	178.4	-74.8	-46.6	0	0	0	114.3	G828 E829 E835 K836	G828-H832 PolarHBondContact O-CD2 3.15Å; G828-H832 PolarHBondContact O-N 2.78Å; G828-H832 VanDerWaalsContact O-N 3.08Å; E829-H832 PolarHBondContact O-N 2.82Å; H832-E835 IonicContact ND1-OE2 3.94Å; H832-K836 WeakPolarHBondContact O-CB 3.23Å; H832-K836 PolarHBondContact O-N 2.95Å; H832-K836 VanDerWaalsContact O-N 3.15Å
833	T	49.9	Very low	50.3	Low	77 Å²	77	107.4 Å²	107.4	47%	0.472	54%	0.537	S	S	.	.	H	α-helix	trans	-77.3	-36.9	174	24.3	0	0	0	0	111.9	E829 N830 Q831 K836 T837	E829-T833 PolarHBondContact O-N 3.41Å; E829-T833 PolarHBondContact O-OG1 2.95Å; N830-T833 VanDerWaalsContact CA-OG1 3.28Å; N830-T833 WeakPolarHBondContact CA-OG1 3.32Å; N830-T833 PolarHBondContact O-OG1 3.2Å; N830-T833 VanDerWaalsContact O-OG1 3.14Å; Q831-T833 VanDerWaalsContact C-N 3.34Å; Q831-T833 PolarHBondContact O-N 3.08Å; T833-K836 PolarHBondContact O-N 3.14Å; T833-T837 PolarHBondContact O-N 2.87Å; T833-T837 VanDerWaalsContact O-N 3.09Å; T833-T837 PolarHBondContact O-OG1 3.18Å
834	V	47.8	Very low	49	Very low	87 Å²	87	103.9 Å²	103.9	53%	0.527	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-45.3	173.3	175.8	0	0	0	0	110.9	N830 Q831 K836 T837 E838	N830-V834 VanDerWaalsContact O-CG2 3.32Å; N830-V834 WeakPolarHBondContact O-CG2 3.34Å; N830-V834 PolarHBondContact O-N 3.47Å; Q831-V834 PolarHBondContact O-N 3.09Å; V834-K836 PolarHBondContact O-N 3.42Å; V834-T837 PolarHBondContact O-N 2.78Å; V834-E838 PolarHBondContact O-N 3.49Å
835	E	46.4	Very low	47.8	Very low	100 Å²	100	102.7 Å²	102.7	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-36.4	176.8	-75.8	-175.1	159.4	0	0	113.4	Q831 H832 R839	Q831-E835 PolarHBondContact O-N 3.07Å; H832-E835 IonicContact ND1-OE2 3.94Å; E835-R839 WeakPolarHBondContact O-CB 3.43Å; E835-R839 WeakPolarHBondContact O-CG 3.49Å; E835-R839 PolarHBondContact O-N 3.25Å
836	K	43.5	Very low	46.7	Very low	150 Å²	150	107 Å²	107	65%	0.652	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-39	173.8	-94.6	180	174.8	174	0	112	H832 T833 V834 R839 I840	H832-K836 WeakPolarHBondContact O-CB 3.23Å; H832-K836 PolarHBondContact O-N 2.95Å; H832-K836 VanDerWaalsContact O-N 3.15Å; T833-K836 PolarHBondContact O-N 3.14Å; V834-K836 PolarHBondContact O-N 3.42Å; K836-R839 PolarHBondContact O-N 3.43Å; K836-I840 WeakPolarHBondContact O-CD1 3.48Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.33Å; K836-I840 PolarHBondContact O-N 3.38Å
837	T	44.8	Very low	45.7	Very low	79 Å²	79	107.2 Å²	107.2	49%	0.485	56%	0.559	S	S	.	*	H	α-helix	trans	-72.1	-38.2	-178.7	-46.2	0	0	0	0	111.1	T833 V834 I840 N841	T833-T837 PolarHBondContact O-N 2.87Å; T833-T837 VanDerWaalsContact O-N 3.09Å; T833-T837 PolarHBondContact O-OG1 3.18Å; V834-T837 PolarHBondContact O-N 2.78Å; T837-I840 PolarHBondContact O-N 3.4Å; T837-N841 PolarHBondContact O-N 3.3Å; T837-N841 VanDerWaalsContact O-N 3.1Å; T837-N841 PolarHBondContact O-ND2 3.33Å
838	E	45.4	Very low	44.4	Very low	122 Å²	122	112.7 Å²	112.7	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-66	-39	172.2	-74.9	-172.8	161.3	0	0	112.6	V834 N841 L842	V834-E838 PolarHBondContact O-N 3.49Å; E838-N841 PolarHBondContact O-N 2.9Å; E838-L842 WeakPolarHBondContact O-CB 3.48Å; E838-L842 PolarHBondContact O-N 3.47Å
839	R	42.1	Very low	44.2	Very low	183 Å²	183	117.1 Å²	117.1	69%	0.691	60%	0.603	S	S	*	*	H	α-helix	trans	-66.3	-36.7	175.5	-77.4	-178.5	-175.7	-167.1	3.8	113.5	E835 K836 A843	E835-R839 WeakPolarHBondContact O-CB 3.43Å; E835-R839 WeakPolarHBondContact O-CG 3.49Å; E835-R839 PolarHBondContact O-N 3.25Å; K836-R839 PolarHBondContact O-N 3.43Å; R839-A843 WeakPolarHBondContact O-CB 3.23Å; R839-A843 PolarHBondContact O-N 2.97Å
840	I	48.1	Very low	43.7	Very low	105 Å²	105	116.8 Å²	116.8	54%	0.538	61%	0.605	S	S	.	*	H	α-helix	trans	-68.6	-39.3	175.7	-67.7	164.3	0	0	0	110.5	K836 T837 A843 N844	K836-I840 WeakPolarHBondContact O-CD1 3.48Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.33Å; K836-I840 PolarHBondContact O-N 3.38Å; T837-I840 PolarHBondContact O-N 3.4Å; I840-A843 PolarHBondContact O-N 2.86Å; I840-N844 PolarHBondContact O-N 3.05Å; I840-N844 VanDerWaalsContact O-N 3.12Å
841	N	41.2	Very low	43.5	Very low	92 Å²	92	118.1 Å²	118.1	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-68.8	-38	176	-78.5	-26	0	0	0	112.6	T837 E838 N844 I845	T837-N841 PolarHBondContact O-N 3.3Å; T837-N841 VanDerWaalsContact O-N 3.1Å; T837-N841 PolarHBondContact O-ND2 3.33Å; E838-N841 PolarHBondContact O-N 2.9Å; N841-N844 PolarHBondContact O-N 3.08Å; N841-I845 WeakPolarHBondContact O-CD1 3.26Å; N841-I845 VanDerWaalsContact O-CG1 3.29Å; N841-I845 WeakPolarHBondContact O-CG1 3.45Å; N841-I845 PolarHBondContact O-N 2.94Å; N841-I845 VanDerWaalsContact O-N 3.15Å
842	L	41.4	Very low	43.1	Very low	106 Å²	106	117.1 Å²	117.1	56%	0.555	61%	0.61	S	S	*	*	H	α-helix	trans	-68	-36.9	174.2	-85.5	154.2	0	0	0	112.8	E838 N844 I845 I846	E838-L842 WeakPolarHBondContact O-CB 3.48Å; E838-L842 PolarHBondContact O-N 3.47Å; L842-N844 VanDerWaalsContact C-N 3.34Å; L842-I845 PolarHBondContact O-N 3.37Å; L842-I846 WeakPolarHBondContact O-CG1 3.4Å; L842-I846 PolarHBondContact O-N 2.96Å
843	A	40.1	Very low	42.9	Very low	58 Å²	58	116.8 Å²	116.8	48%	0.479	61%	0.612	S	S	.	*	H	α-helix	trans	-66.4	-35.1	175.1	0	0	0	0	0	112.5	R839 I840	R839-A843 WeakPolarHBondContact O-CB 3.23Å; R839-A843 PolarHBondContact O-N 2.97Å; I840-A843 PolarHBondContact O-N 2.86Å
844	N	39.3	Very low	42.5	Very low	105 Å²	105	119.4 Å²	119.4	56%	0.561	62%	0.622	S	S	*	*	H	α-helix	trans	-76.7	-22.9	176.9	-75.9	-21.1	0	0	0	113.7	I840 N841 L842	I840-N844 PolarHBondContact O-N 3.05Å; I840-N844 VanDerWaalsContact O-N 3.12Å; N841-N844 PolarHBondContact O-N 3.08Å; L842-N844 VanDerWaalsContact C-N 3.34Å
845	I	41.6	Very low	42.1	Very low	127 Å²	127	121.7 Å²	121.7	65%	0.651	63%	0.629	S	S	*	*	H	α-helix	trans	-80.5	-20.3	175.8	-69.6	167.2	0	0	0	112	N841 L842	N841-I845 WeakPolarHBondContact O-CD1 3.26Å; N841-I845 VanDerWaalsContact O-CG1 3.29Å; N841-I845 WeakPolarHBondContact O-CG1 3.45Å; N841-I845 PolarHBondContact O-N 2.94Å; N841-I845 VanDerWaalsContact O-N 3.15Å; L842-I845 PolarHBondContact O-N 3.37Å
846	I	41.6	Very low	41.8	Very low	139 Å²	139	123.4 Å²	123.4	71%	0.713	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-6.4	178.6	-63.9	169	0	0	0	112.3	L842	L842-I846 WeakPolarHBondContact O-CG1 3.4Å; L842-I846 PolarHBondContact O-N 2.96Å
847	C	39.5	Very low	41.6	Very low	115 Å²	115	121.2 Å²	121.2	78%	0.777	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	26.3	176.2	-85.7	0	0	0	0	114.6
848	L	34.5	Very low	41.3	Very low	223 Å²	223	125 Å²	125	100%	1.168	65%	0.654	S	S	*	*			trans	-121.7	0	165.9	-90.9	164.9	0	0	0	111.6

Retrieved 848 of 848 residues in 673.1 ms (Link to these results)

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