A0A3Q0KSV8_SCHMA Loading...

Transcription initiation factor tfiid 55 kD subunit-related

AlphaFold DB , UniProt , Accession A0A3Q0KSV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 516 aa.

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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	40	Very low	59.9	Low	239 Å²	239	140.7 Å²	140.7	100%	1.177	75%	0.745	S	S	*	*				0	97	0	-64.1	-175.1	-160.4	0	0	107.1	A3	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.34Å
2	N	44.5	Very low	62.2	Low	178 Å²	178	140.8 Å²	140.8	95%	0.952	75%	0.746	S	S	*	*			trans	-84	84.4	171.6	-92.1	4.3	0	0	0	107.7	K4	N2-K4 PolarHBondContact O-N 3.23Å; N2-K4 VanDerWaalsContact O-N 3.15Å
3	A	56.8	Low	64.4	Low	90 Å²	90	141.7 Å²	141.7	74%	0.744	75%	0.75	S	S	*	*			trans	-71.1	103.4	164.7	0	0	0	0	0	106.7	M1 L5	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.34Å; A3-L5 PolarHBondContact O-N 3.27Å
4	K	58.8	Low	66.4	Low	175 Å²	175	137.3 Å²	137.3	76%	0.761	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.7	118.1	168.8	-160.4	179.1	-171.7	-169.8	0	106.3	N2 L7	N2-K4 PolarHBondContact O-N 3.23Å; N2-K4 VanDerWaalsContact O-N 3.15Å; K4-L7 HydrophobicContact CD-CD1 4.18Å
5	L	60.3	Low	68.2	Low	126 Å²	126	139 Å²	139	66%	0.66	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-54.6	144.6	175.1	-71.7	168.2	0	0	0	108.8	A3 L7	A3-L5 PolarHBondContact O-N 3.27Å; L5-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact O-N 3.14Å
6	P	57.2	Low	70	Confident	87 Å²	87	132.1 Å²	132.1	57%	0.565	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-55.9	122.5	177	-17.3	28.9	0	0	0	109	D8 S9	P6-D8 PolarHBondContact O-N 3.26Å; P6-S9 PolarHBondContact O-N 3.38Å; P6-S9 PolarHBondContact O-OG 2.93Å
7	L	62.1	Low	71.6	Confident	141 Å²	141	128.4 Å²	128.4	74%	0.738	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-11.1	-179	-88.9	102.5	0	0	0	113.5	K4 L5	K4-L7 HydrophobicContact CD-CD1 4.18Å; L5-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact O-N 3.14Å
8	D	60	Low	73.1	Confident	151 Å²	151	122.9 Å²	122.9	81%	0.807	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	18.6	-172.2	-52.2	-35	0	0	0	113.1	P6 N10	P6-D8 PolarHBondContact O-N 3.26Å; D8-N10 PolarHBondContact O-N 3.01Å
9	S	63.8	Low	74.3	Confident	41 Å²	41	118.6 Å²	118.6	29%	0.287	62%	0.615	S	S	.	*			trans	-80.3	106.2	175.1	-42	0	0	0	0	108.2	P6 Y11	P6-S9 PolarHBondContact O-N 3.38Å; P6-S9 PolarHBondContact O-OG 2.93Å; S9-Y11 VanDerWaalsContact CB-CE2 3.43Å; S9-Y11 VanDerWaalsContact CB-OH 3.28Å; S9-Y11 WeakPolarHBondContact CB-OH 3.32Å; S9-Y11 WeakPolarHBondContact O-CD2 3.24Å; S9-Y11 WeakPolarHBondContact O-CE2 3.38Å; S9-Y11 PolarHBondContact O-N 3.45Å; S9-Y11 PolarHBondContact OG-OH 2.79Å; S9-Y11 VanDerWaalsContact OG-OH 3.12Å
10	N	77.1	Confident	75.4	Confident	172 Å²	172	116.7 Å²	116.7	92%	0.92	60%	0.6	S	S	*	*			trans	-63.7	104	164.5	-83.7	-5.7	0	0	0	107.4	D8	D8-N10 PolarHBondContact O-N 3.01Å
11	Y	78.4	Confident	76.3	Confident	148 Å²	148	112 Å²	112	58%	0.58	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-93.3	128	171	-57.1	-72.8	0	0	0	108.1	S9	S9-Y11 VanDerWaalsContact CB-CE2 3.43Å; S9-Y11 VanDerWaalsContact CB-OH 3.28Å; S9-Y11 WeakPolarHBondContact CB-OH 3.32Å; S9-Y11 WeakPolarHBondContact O-CD2 3.24Å; S9-Y11 WeakPolarHBondContact O-CE2 3.38Å; S9-Y11 PolarHBondContact O-N 3.45Å; S9-Y11 PolarHBondContact OG-OH 2.79Å; S9-Y11 VanDerWaalsContact OG-OH 3.12Å
12	D	87.2	Confident	78.7	Confident	142 Å²	142	103.9 Å²	103.9	76%	0.759	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-94.7	151.8	165.9	-155.8	-1	0	0	0	109.6
13	L	90.9	Very high	81	Confident	152 Å²	152	97.4 Å²	97.4	80%	0.796	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-78.8	128.8	178.1	-65.8	177.6	0	0	0	109.4	Q15	L13-Q15 PolarHBondContact O-N 2.9Å
14	E	92.7	Very high	82.6	Confident	80 Å²	80	95.2 Å²	95.2	37%	0.374	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-61.6	122.5	173.2	-169	-173.6	161.9	0	0	109.8	Q16	E14-Q16 HydrophobicContact CG-CG 4.27Å; E14-Q16 PolarHBondContact OE1-NE2 3.22Å
15	Q	93.8	Very high	84.3	Confident	163 Å²	163	90.7 Å²	90.7	76%	0.762	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-92.2	129.7	177.2	-62.8	-175.1	10.1	0	0	109.9	L13	L13-Q15 PolarHBondContact O-N 2.9Å
16	Q	96.8	Very high	85.9	Confident	28 Å²	28	84.8 Å²	84.8	13%	0.131	44%	0.438	C	S	.	.			trans	-132.6	139.9	-178.3	-64.3	-178.5	-2.5	0	0	110.3	E14 S77 A90 I92	E14-Q16 HydrophobicContact CG-CG 4.27Å; E14-Q16 PolarHBondContact OE1-NE2 3.22Å; Q16-S77 PolarHBondContact OE1-OG 3.3Å; Q16-A90 HydrophobicContact CB-CB 4.04Å; Q16-A90 HydrophobicContact CG-CB 3.85Å; Q16-I92 HydrophobicContact CB-CD1 4.14Å; Q16-I92 HydrophobicContact CB-CG1 3.78Å
17	F	96.9	Very high	87.7	Confident	69 Å²	69	82.4 Å²	82.4	30%	0.303	43%	0.426	S	S	.	.			trans	-142.2	159.5	175.9	63.5	-90.1	0	0	0	110.2	Q94 M96	F17-Q94 HydrophobicContact CB-CB 4.36Å; F17-M96 HydrophobicContact CD2-CB 4.02Å; F17-M96 HydrophobicContact CE2-CB 3.83Å; F17-M96 HydrophobicContact CE2-CE 3.9Å; F17-M96 HydrophobicContact CE2-SD 4.35Å; F17-M96 HydrophobicContact CZ-CE 4.11Å
18	I	97.6	Very high	89.3	Confident	30 Å²	30	81.7 Å²	81.7	15%	0.154	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.5	176.5	-57.3	-57.8	0	0	0	109.9	L71 I92 Q94 M95 M96	I18-L71 HydrophobicContact CG1-CD1 4.36Å; I18-I92 HydrophobicContact CD1-CD1 4.38Å; I18-I92 HydrophobicContact CD1-CG2 4.08Å; I18-I92 HydrophobicContact CG1-CG2 3.84Å; I18-Q94 PolarHBondContact N-O 3.36Å; I18-M95 HydrophobicContact CB-CB 4.12Å; I18-M95 HydrophobicContact CB-CE 4.16Å; I18-M95 HydrophobicContact CB-CG 4.04Å; I18-M95 HydrophobicContact CG2-CE 3.73Å; I18-M95 HydrophobicContact CG2-CG 4.09Å; I18-M95 CarbonylContact O-C 3.58Å; I18-M95 WeakPolarHBondContact O-CA 3.35Å; I18-M95 WeakPolarHBondContact O-CG 3.46Å; I18-M96 PolarHBondContact O-N 2.85Å
19	L	96.7	Very high	90.9	Very high	42 Å²	42	78.1 Å²	78.1	22%	0.22	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.1	168	-177	76.4	0	0	0	109.3	L30 F44 M96 C98	L19-L30 HydrophobicContact CD2-CD2 4.02Å; L19-F44 HydrophobicContact CD2-CE2 3.96Å; L19-F44 HydrophobicContact CD2-CZ 3.59Å; L19-M96 HydrophobicContact CD1-CB 4.01Å; L19-M96 HydrophobicContact CD1-CG 3.93Å; L19-M96 HydrophobicContact CD1-SD 3.54Å; L19-M96 VanDerWaalsContact CD1-SD 3.54Å; L19-C98 VanDerWaalsContact CD1-SG 3.59Å
20	R	95.6	Very high	92.4	Very high	80 Å²	80	77.1 Å²	77.1	30%	0.302	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.7	176.9	177.4	178.3	-72.3	169.5	-3.8	110.3	M95 M96 C98 F136	R20-M95 HydrophobicContact CB-CG 4.17Å; R20-M95 HydrophobicContact CB-SD 3.82Å; R20-M95 HydrophobicContact CG-SD 4.48Å; R20-M95 VanDerWaalsContact NH2-CE 3.26Å; R20-M96 PolarHBondContact N-O 2.95Å; R20-C98 PolarHBondContact O-N 2.93Å; R20-F136 VanDerWaalsContact NH1-CZ 3.34Å
21	M	94.6	Very high	93.2	Very high	18 Å²	18	69.9 Å²	69.9	9%	0.089	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.8	165.8	-57.8	-60.5	-72.4	0	0	108.7	A26 A27 L30 Y64 C98	M21-A26 HydrophobicContact CE-CB 3.84Å; M21-A27 HydrophobicContact CB-CB 3.86Å; M21-L30 HydrophobicContact CG-CD2 4.25Å; M21-Y64 HydrophobicContact CE-CD1 3.72Å; M21-Y64 HydrophobicContact CE-CD2 3.69Å; M21-Y64 HydrophobicContact CE-CE1 3.6Å; M21-Y64 HydrophobicContact CE-CE2 3.58Å; M21-Y64 HydrophobicContact CE-CG 3.78Å; M21-C98 HydrophobicContact CE-CB 4.37Å; M21-C98 HydrophobicContact SD-CB 3.6Å
22	T	91.9	Very high	94	Very high	68 Å²	68	65.4 Å²	65.4	42%	0.417	35%	0.349	S	S	.	.	S	Bend	trans	-77.8	-29	174.8	55.3	0	0	0	0	112.2	T24 I97 C98 T99	T22-T24 PolarHBondContact O-N 3.17Å; T22-I97 HydrophobicContact CG2-CG2 3.62Å; T22-C98 WeakPolarHBondContact CB-O 3.23Å; T22-C98 PolarHBondContact N-O 2.74Å; T22-C98 PolarHBondContact OG1-O 2.87Å; T22-T99 HydrophobicContact CG2-CG2 3.88Å; T22-T99 WeakPolarHBondContact OG1-CA 3.2Å
23	D	91.6	Very high	94.4	Very high	42 Å²	42	59.8 Å²	59.8	23%	0.225	32%	0.319	C	S	.	.	S	Bend	trans	-73.2	110.1	165.4	175.8	10.2	0	0	0	109.3	V25 A26 A27 Y64	D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 3.16Å; D23-V25 WeakPolarHBondContact OD1-CB 3.27Å; D23-V25 PolarHBondContact OD1-N 3.44Å; D23-A26 HydrophobicContact CB-CB 3.92Å; D23-A26 PolarHBondContact O-N 2.93Å; D23-A26 PolarHBondContact OD1-N 2.71Å; D23-A26 WeakPolarHBondContact OD2-CB 3.38Å; D23-A26 PolarHBondContact OD2-N 3.22Å; D23-A27 PolarHBondContact O-N 3.4Å; D23-Y64 HydrophobicContact CB-CE1 4.31Å
24	T	91.4	Very high	94.5	Very high	45 Å²	45	55.6 Å²	55.6	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-28.3	-179.7	56.8	0	0	0	0	113.4	T22 A27 Q28 N488	T22-T24 PolarHBondContact O-N 3.17Å; T24-A27 WeakPolarHBondContact O-CB 3.49Å; T24-A27 PolarHBondContact O-N 3.1Å; T24-Q28 WeakPolarHBondContact O-CB 3.48Å; T24-Q28 VanDerWaalsContact O-CG 3.27Å; T24-Q28 WeakPolarHBondContact O-CG 3.48Å; T24-Q28 PolarHBondContact O-N 2.97Å; T24-N488 WeakPolarHBondContact CB-ND2 3.47Å; T24-N488 WeakPolarHBondContact CG2-OD1 3.34Å; T24-N488 PolarHBondContact OG1-ND2 2.91Å; T24-N488 PolarHBondContact OG1-OD1 3.25Å
25	V	94.3	Very high	94.6	Very high	79 Å²	79	58 Å²	58	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-45.2	176.4	179.8	0	0	0	0	109	D23 A27 Q28 N29	D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 3.16Å; D23-V25 WeakPolarHBondContact OD1-CB 3.27Å; D23-V25 PolarHBondContact OD1-N 3.44Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.9Å; V25-Q28 PolarHBondContact O-N 3.44Å; V25-N29 WeakPolarHBondContact O-CB 3.44Å; V25-N29 PolarHBondContact O-N 3.33Å; V25-N29 PolarHBondContact O-ND2 3.41Å
26	A	93.3	Very high	94.6	Very high	3 Å²	3	53.7 Å²	53.7	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-40.5	172.2	0	0	0	0	0	112.5	M21 D23 N29 L30 Y64	M21-A26 HydrophobicContact CE-CB 3.84Å; D23-A26 HydrophobicContact CB-CB 3.92Å; D23-A26 PolarHBondContact O-N 2.93Å; D23-A26 PolarHBondContact OD1-N 2.71Å; D23-A26 WeakPolarHBondContact OD2-CB 3.38Å; D23-A26 PolarHBondContact OD2-N 3.22Å; A26-N29 PolarHBondContact O-N 3.05Å; A26-L30 VanDerWaalsContact O-CB 3.31Å; A26-L30 WeakPolarHBondContact O-CB 3.41Å; A26-L30 PolarHBondContact O-N 3.26Å; A26-Y64 HydrophobicContact CB-CE1 4.17Å; A26-Y64 WeakPolarHBondContact CB-OH 3.39Å
27	A	94.7	Very high	94.4	Very high	36 Å²	36	55.1 Å²	55.1	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.2	0	0	0	0	0	112.3	M21 D23 T24 V25 L30 A31	M21-A27 HydrophobicContact CB-CB 3.86Å; D23-A27 PolarHBondContact O-N 3.4Å; T24-A27 WeakPolarHBondContact O-CB 3.49Å; T24-A27 PolarHBondContact O-N 3.1Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.9Å; A27-L30 PolarHBondContact O-N 3.45Å; A27-A31 WeakPolarHBondContact O-CB 3.43Å; A27-A31 PolarHBondContact O-N 2.86Å
28	Q	96	Very high	94.1	Very high	126 Å²	126	54.9 Å²	54.9	59%	0.589	33%	0.328	S	S	*	.	H	α-helix	trans	-65.1	-41.4	178.6	-74.6	173.1	-5.8	0	0	112.1	T24 V25 A31 A32	T24-Q28 WeakPolarHBondContact O-CB 3.48Å; T24-Q28 VanDerWaalsContact O-CG 3.27Å; T24-Q28 WeakPolarHBondContact O-CG 3.48Å; T24-Q28 PolarHBondContact O-N 2.97Å; V25-Q28 PolarHBondContact O-N 3.44Å; Q28-A31 WeakPolarHBondContact O-CB 3.48Å; Q28-A31 PolarHBondContact O-N 3.19Å; Q28-A32 WeakPolarHBondContact O-CB 3.46Å; Q28-A32 PolarHBondContact O-N 3.19Å
29	N	94.4	Very high	93.7	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.2	-69.1	-25.4	0	0	0	111.1	V25 A26 A31 A32 D33 Y59	V25-N29 WeakPolarHBondContact O-CB 3.44Å; V25-N29 PolarHBondContact O-N 3.33Å; V25-N29 PolarHBondContact O-ND2 3.41Å; A26-N29 PolarHBondContact O-N 3.05Å; N29-A31 VanDerWaalsContact C-N 3.33Å; N29-A31 PolarHBondContact O-N 3.4Å; N29-A32 PolarHBondContact O-N 3.12Å; N29-D33 PolarHBondContact O-N 2.98Å; N29-Y59 HydrophobicContact CB-CE1 4.01Å; N29-Y59 WeakPolarHBondContact CB-OH 3.47Å; N29-Y59 PolarHBondContact O-OH 3.19Å; N29-Y59 VanDerWaalsContact O-OH 3.1Å
30	L	94.3	Very high	93.3	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-43	177.9	-179	61.5	0	0	0	111	L19 M21 A26 A27 D33 I34 F40 F44 Y59	L19-L30 HydrophobicContact CD2-CD2 4.02Å; M21-L30 HydrophobicContact CG-CD2 4.25Å; A26-L30 VanDerWaalsContact O-CB 3.31Å; A26-L30 WeakPolarHBondContact O-CB 3.41Å; A26-L30 PolarHBondContact O-N 3.26Å; A27-L30 PolarHBondContact O-N 3.45Å; L30-D33 PolarHBondContact O-N 3.26Å; L30-I34 HydrophobicContact CG-CD1 4.28Å; L30-I34 VanDerWaalsContact O-CG1 3.26Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.37Å; L30-F40 HydrophobicContact CD1-CD1 4.43Å; L30-F40 HydrophobicContact CD1-CE1 3.6Å; L30-F40 HydrophobicContact CD1-CZ 4.03Å; L30-F44 HydrophobicContact CD1-CD2 4.04Å; L30-F44 HydrophobicContact CD1-CE2 4.32Å; L30-F44 HydrophobicContact CD2-CE2 4.2Å; L30-Y59 WeakPolarHBondContact CA-OH 3.5Å; L30-Y59 HydrophobicContact CB-CE1 3.98Å; L30-Y59 HydrophobicContact CB-CE2 4.44Å; L30-Y59 HydrophobicContact CD1-CD2 4.03Å; L30-Y59 HydrophobicContact CD1-CE2 3.78Å; L30-Y59 PolarHBondContact N-OH 3.15Å; L30-Y59 VanDerWaalsContact N-OH 3.1Å
31	A	94.4	Very high	92.7	Very high	21 Å²	21	59 Å²	59	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-48.9	173	0	0	0	0	0	112.2	A27 Q28 N29 D33 I34 D35 I448	A27-A31 WeakPolarHBondContact O-CB 3.43Å; A27-A31 PolarHBondContact O-N 2.86Å; Q28-A31 WeakPolarHBondContact O-CB 3.48Å; Q28-A31 PolarHBondContact O-N 3.19Å; N29-A31 VanDerWaalsContact C-N 3.33Å; N29-A31 PolarHBondContact O-N 3.4Å; A31-D33 VanDerWaalsContact C-N 3.33Å; A31-D33 PolarHBondContact O-N 3.19Å; A31-I34 WeakPolarHBondContact O-CB 2.95Å; A31-I34 PolarHBondContact O-N 3.38Å; A31-D35 PolarHBondContact O-N 2.93Å; A31-I448 HydrophobicContact CB-CD1 3.69Å
32	A	95.2	Very high	92.2	Very high	53 Å²	53	66 Å²	66	44%	0.438	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-39.1	179	0	0	0	0	0	112.6	Q28 N29 D35 A36	Q28-A32 WeakPolarHBondContact O-CB 3.46Å; Q28-A32 PolarHBondContact O-N 3.19Å; N29-A32 PolarHBondContact O-N 3.12Å; A32-D35 PolarHBondContact O-N 3.45Å; A32-A36 VanDerWaalsContact O-CB 3.24Å; A32-A36 WeakPolarHBondContact O-CB 3.5Å; A32-A36 PolarHBondContact O-N 3.41Å
33	D	94.5	Very high	92	Very high	25 Å²	25	65.9 Å²	65.9	13%	0.134	39%	0.385	C	S	.	.	H	α-helix	trans	-66	-38.1	176.2	-73.7	-10.1	0	0	0	111.8	N29 L30 A31 G37 I38 F40 Y59 N60	N29-D33 PolarHBondContact O-N 2.98Å; L30-D33 PolarHBondContact O-N 3.26Å; A31-D33 VanDerWaalsContact C-N 3.33Å; A31-D33 PolarHBondContact O-N 3.19Å; D33-G37 PolarHBondContact O-N 2.86Å; D33-I38 HydrophobicContact CB-CB 4.31Å; D33-I38 HydrophobicContact CB-CD1 4.31Å; D33-I38 PolarHBondContact O-N 2.93Å; D33-I38 WeakPolarHBondContact OD1-CD1 3.2Å; D33-F40 HydrophobicContact CB-CE1 3.89Å; D33-F40 HydrophobicContact CB-CZ 3.72Å; D33-Y59 WeakPolarHBondContact OD2-CE2 3.48Å; D33-Y59 PolarHBondContact OD2-OH 3.17Å; D33-N60 PolarHBondContact OD2-ND2 3.07Å
34	I	93.3	Very high	92.2	Very high	64 Å²	64	65.2 Å²	65.2	33%	0.328	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-49.7	174.7	-69.7	167.6	0	0	0	110	L30 A31 A36 G37 F40	L30-I34 HydrophobicContact CG-CD1 4.28Å; L30-I34 VanDerWaalsContact O-CG1 3.26Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.37Å; A31-I34 WeakPolarHBondContact O-CB 2.95Å; A31-I34 PolarHBondContact O-N 3.38Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 3.33Å; I34-G37 PolarHBondContact O-N 3.41Å; I34-F40 HydrophobicContact CB-CE2 4.43Å; I34-F40 HydrophobicContact CB-CZ 4.38Å; I34-F40 HydrophobicContact CG1-CE2 3.63Å; I34-F40 HydrophobicContact CG1-CZ 3.51Å
35	D	94.9	Very high	92.3	Very high	130 Å²	130	66 Å²	66	70%	0.695	39%	0.385	S	S	*	.	H	α-helix	trans	-64.5	-35.1	-179.2	-73.3	-21.7	0	0	0	112.3	A31 A32 G37	A31-D35 PolarHBondContact O-N 2.93Å; A32-D35 PolarHBondContact O-N 3.45Å; D35-G37 PolarHBondContact O-N 3.2Å
36	A	94.7	Very high	92.4	Very high	72 Å²	72	64.7 Å²	64.7	60%	0.595	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.8	174.7	0	0	0	0	0	113.4	A32 I34 I38	A32-A36 VanDerWaalsContact O-CB 3.24Å; A32-A36 WeakPolarHBondContact O-CB 3.5Å; A32-A36 PolarHBondContact O-N 3.41Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 3.33Å; A36-I38 VanDerWaalsContact C-N 3.28Å; A36-I38 HydrophobicContact CB-CD1 4.04Å; A36-I38 HydrophobicContact CB-CG1 3.88Å; A36-I38 PolarHBondContact O-N 2.96Å
37	G	92.1	Very high	92.5	Very high	59 Å²	59	69.7 Å²	69.7	61%	0.608	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	29	-176.8	0	0	0	0	0	113.1	D33 I34 D35	D33-G37 PolarHBondContact O-N 2.86Å; I34-G37 PolarHBondContact O-N 3.41Å; D35-G37 PolarHBondContact O-N 3.2Å
38	I	90.8	Very high	92.6	Very high	63 Å²	63	71.9 Å²	71.9	32%	0.323	40%	0.403	S	S	.	.			trans	-67.6	129.8	179.7	-66.4	174.7	0	0	0	108.8	D33 A36 F40	D33-I38 HydrophobicContact CB-CB 4.31Å; D33-I38 HydrophobicContact CB-CD1 4.31Å; D33-I38 PolarHBondContact O-N 2.93Å; D33-I38 WeakPolarHBondContact OD1-CD1 3.2Å; A36-I38 VanDerWaalsContact C-N 3.28Å; A36-I38 HydrophobicContact CB-CD1 4.04Å; A36-I38 HydrophobicContact CB-CG1 3.88Å; A36-I38 PolarHBondContact O-N 2.96Å; I38-F40 WeakPolarHBondContact O-CD2 3.45Å; I38-F40 PolarHBondContact O-N 3.36Å
39	P	88.4	Confident	92.6	Very high	105 Å²	105	69.3 Å²	69.3	68%	0.682	39%	0.39	S	S	*	.			trans	-62.7	124.5	177.6	-23.3	33.7	0	0	0	112.2	K41	P39-K41 PolarHBondContact O-N 3.35Å
40	F	88.9	Confident	92.6	Very high	58 Å²	58	72.2 Å²	72.2	25%	0.254	41%	0.413	S	S	.	.			trans	-82.4	-9.8	-177	-78.1	-67	0	0	0	115.5	L30 D33 I34 I38 E42 N43 F44 Y59	L30-F40 HydrophobicContact CD1-CD1 4.43Å; L30-F40 HydrophobicContact CD1-CE1 3.6Å; L30-F40 HydrophobicContact CD1-CZ 4.03Å; D33-F40 HydrophobicContact CB-CE1 3.89Å; D33-F40 HydrophobicContact CB-CZ 3.72Å; I34-F40 HydrophobicContact CB-CE2 4.43Å; I34-F40 HydrophobicContact CB-CZ 4.38Å; I34-F40 HydrophobicContact CG1-CE2 3.63Å; I34-F40 HydrophobicContact CG1-CZ 3.51Å; I38-F40 WeakPolarHBondContact O-CD2 3.45Å; I38-F40 PolarHBondContact O-N 3.36Å; F40-E42 PolarHBondContact O-N 3.1Å; F40-N43 PolarHBondContact O-N 2.57Å; F40-F44 HydrophobicContact CB-CB 4.02Å; F40-F44 HydrophobicContact CD1-CB 3.55Å; F40-F44 HydrophobicContact CD1-CG 4.29Å; F40-F44 HydrophobicContact CE1-CB 4.47Å; F40-F44 HydrophobicContact CG-CB 4.15Å; F40-F44 PolarHBondContact O-N 2.95Å; F40-Y59 HydrophobicContact CE1-CE2 4.31Å
41	K	83.4	Confident	92.6	Very high	76 Å²	76	75.1 Å²	75.1	33%	0.33	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.7	-170.1	178.6	-178.6	-177.7	-150.6	0	115	P39 M429 Q430	P39-K41 PolarHBondContact O-N 3.35Å; K41-M429 WeakPolarHBondContact CD-O 3.35Å; K41-M429 WeakPolarHBondContact CE-O 3.42Å; K41-M429 WeakPolarHBondContact CG-O 3.31Å; K41-Q430 HydrophobicContact CD-CB 4.04Å; K41-Q430 VanDerWaalsContact CE-CB 3.48Å; K41-Q430 VanDerWaalsContact NZ-CG 3.34Å
42	E	83	Confident	92.5	Very high	166 Å²	166	79.8 Å²	79.8	78%	0.776	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-18.2	-177.7	-64.3	178.4	-172.4	0	0	112.4	F40	F40-E42 PolarHBondContact O-N 3.1Å
43	N	89.1	Confident	92.4	Very high	65 Å²	65	80.1 Å²	80.1	35%	0.348	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-14	-169.9	-70.6	-6.3	0	0	0	113.6	F40 Y59 N60	F40-N43 PolarHBondContact O-N 2.57Å; N43-Y59 CarbonylContact O-C 3.55Å; N43-Y59 VanDerWaalsContact O-CA 3.22Å; N43-Y59 WeakPolarHBondContact O-CA 3.44Å; N43-N60 PolarHBondContact O-N 2.92Å
44	F	94.5	Very high	92.4	Very high	28 Å²	28	81.4 Å²	81.4	12%	0.123	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121	-179.9	-177.1	-90.4	0	0	0	111.5	L19 L30 F40 V46 V57 R58 Y59	L19-F44 HydrophobicContact CD2-CE2 3.96Å; L19-F44 HydrophobicContact CD2-CZ 3.59Å; L30-F44 HydrophobicContact CD1-CD2 4.04Å; L30-F44 HydrophobicContact CD1-CE2 4.32Å; L30-F44 HydrophobicContact CD2-CE2 4.2Å; F40-F44 HydrophobicContact CB-CB 4.02Å; F40-F44 HydrophobicContact CD1-CB 3.55Å; F40-F44 HydrophobicContact CD1-CG 4.29Å; F40-F44 HydrophobicContact CE1-CB 4.47Å; F40-F44 HydrophobicContact CG-CB 4.15Å; F40-F44 PolarHBondContact O-N 2.95Å; F44-V46 HydrophobicContact CE1-CG2 3.65Å; F44-V46 HydrophobicContact CZ-CG2 3.82Å; F44-V57 HydrophobicContact CE2-CG1 3.84Å; F44-V57 HydrophobicContact CZ-CG1 4.12Å; F44-R58 CarbonylContact C-O 3.54Å; F44-R58 VanDerWaalsContact CA-O 3.23Å; F44-R58 WeakPolarHBondContact CA-O 3.49Å; F44-Y59 HydrophobicContact CB-CD2 4.32Å; F44-Y59 AromaticContact CD2-CD2 3.93Å; F44-Y59 HydrophobicContact CD2-CD2 3.93Å; F44-Y59 HydrophobicContact CD2-CG 4.25Å
45	T	94.9	Very high	92.5	Very high	60 Å²	60	78.3 Å²	78.3	37%	0.368	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.7	177.8	66.9	0	0	0	0	111.2	V57 R58	T45-V57 CarbonylContact O-C 3.53Å; T45-V57 WeakPolarHBondContact O-CA 3.36Å; T45-R58 PolarHBondContact N-O 2.87Å; T45-R58 PolarHBondContact O-N 3.04Å; T45-R58 WeakPolarHBondContact OG1-CB 2.99Å
46	V	95.7	Very high	92.5	Very high	53 Å²	53	73.6 Å²	73.6	32%	0.321	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122	174.5	-180	0	0	0	0	108.6	F44 F48 V57 M96	F44-V46 HydrophobicContact CE1-CG2 3.65Å; F44-V46 HydrophobicContact CZ-CG2 3.82Å; V46-F48 HydrophobicContact CG1-CD2 4.19Å; V46-F48 HydrophobicContact CG1-CE2 3.76Å; V46-F48 HydrophobicContact CG1-CZ 4.44Å; V46-V57 HydrophobicContact CG1-CG2 4.38Å; V46-V57 HydrophobicContact CG2-CG1 4.43Å; V46-V57 HydrophobicContact CG2-CG2 4.21Å; V46-M96 HydrophobicContact CG1-CE 3.64Å; V46-M96 HydrophobicContact CG1-SD 4.07Å
47	E	95.7	Very high	92.5	Very high	107 Å²	107	70.2 Å²	70.2	50%	0.5	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	177.1	-179.4	-176.5	170.8	0	0	109.4	T55 I56	E47-T55 CarbonylContact O-C 3.59Å; E47-T55 WeakPolarHBondContact O-CA 3.43Å; E47-T55 VanDerWaalsContact O-CB 3.29Å; E47-T55 WeakPolarHBondContact O-CB 3.31Å; E47-I56 HydrophobicContact CB-CB 4.35Å; E47-I56 PolarHBondContact N-O 2.86Å; E47-I56 PolarHBondContact O-N 3.5Å
48	F	96.2	Very high	92.7	Very high	82 Å²	82	72.8 Å²	72.8	36%	0.36	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.2	175.8	-74.9	-102.7	0	0	0	111.1	V46 M52 T55 I68 M96	V46-F48 HydrophobicContact CG1-CD2 4.19Å; V46-F48 HydrophobicContact CG1-CE2 3.76Å; V46-F48 HydrophobicContact CG1-CZ 4.44Å; F48-M52 HydrophobicContact CB-SD 4.18Å; F48-M52 HydrophobicContact CD1-CE 3.97Å; F48-M52 HydrophobicContact CD1-SD 4.34Å; F48-M52 HydrophobicContact CE1-CE 4.44Å; F48-M52 HydrophobicContact CG-CE 4.37Å; F48-T55 HydrophobicContact CB-CG2 4.34Å; F48-T55 HydrophobicContact CD1-CG2 3.36Å; F48-T55 HydrophobicContact CD2-CG2 4.19Å; F48-T55 HydrophobicContact CE1-CG2 3.55Å; F48-T55 HydrophobicContact CE2-CG2 4.35Å; F48-T55 HydrophobicContact CG-CG2 3.71Å; F48-T55 HydrophobicContact CZ-CG2 4.05Å; F48-I68 HydrophobicContact CE1-CD1 4.05Å; F48-I68 HydrophobicContact CE1-CG1 4.06Å; F48-I68 HydrophobicContact CZ-CD1 4.49Å; F48-M96 HydrophobicContact CE1-CE 4.22Å; F48-M96 HydrophobicContact CE2-CE 4.35Å; F48-M96 HydrophobicContact CZ-CE 3.79Å
49	K	95.7	Very high	92.9	Very high	72 Å²	72	69.9 Å²	69.9	31%	0.313	35%	0.35	S	S	.	.			trans	-74.6	160.5	167.4	-60.3	-169.2	-166.3	164.1	0	109.4	D51 M52 H54 Q65	K49-D51 PolarHBondContact O-N 2.92Å; K49-M52 PolarHBondContact O-N 3.46Å; K49-H54 HydrophobicContact CB-CB 4.15Å; K49-H54 WeakPolarHBondContact CB-O 3.26Å; K49-H54 HydrophobicContact CD-CB 3.68Å; K49-H54 HydrophobicContact CG-CB 4.08Å; K49-H54 PolarHBondContact N-O 3.05Å; K49-Q65 VanDerWaalsContact NZ-OE1 3.17Å
50	P	96	Very high	93.1	Very high	138 Å²	138	68.4 Å²	68.4	90%	0.896	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.8	-175.3	-27.4	36.1	0	0	0	115.7	M52	P50-M52 VanDerWaalsContact C-N 3.26Å; P50-M52 PolarHBondContact O-N 3.4Å
51	D	92.6	Very high	93.1	Very high	81 Å²	81	69.2 Å²	69.2	43%	0.433	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.4	177	60	23.7	0	0	0	114	K49 R53 H54	K49-D51 PolarHBondContact O-N 2.92Å; D51-R53 PolarHBondContact O-N 3.29Å; D51-R53 PolarHBondContact OD1-N 3.09Å; D51-H54 PolarHBondContact OD1-N 2.9Å; D51-H54 IonicContact OD1-ND1 3.37Å; D51-H54 IonicContact OD2-CE1 3.49Å; D51-H54 IonicContact OD2-CG 2.68Å; D51-H54 IonicContact OD2-ND1 2.83Å; D51-H54 PolarHBondContact OD2-ND1 3.02Å
52	M	92.8	Very high	93.6	Very high	118 Å²	118	70.3 Å²	70.3	58%	0.581	37%	0.367	S	S	*	.	S	Bend	trans	58.2	7.7	-175.5	-60.4	-62.3	-63.4	0	0	115.2	F48 K49 P50	F48-M52 HydrophobicContact CB-SD 4.18Å; F48-M52 HydrophobicContact CD1-CE 3.97Å; F48-M52 HydrophobicContact CD1-SD 4.34Å; F48-M52 HydrophobicContact CE1-CE 4.44Å; F48-M52 HydrophobicContact CG-CE 4.37Å; K49-M52 PolarHBondContact O-N 3.46Å; P50-M52 VanDerWaalsContact C-N 3.26Å; P50-M52 PolarHBondContact O-N 3.4Å
53	R	93.9	Very high	94.2	Very high	60 Å²	60	65.3 Å²	65.3	23%	0.226	35%	0.348	C	S	.	.	S	Bend	trans	-109.2	-25.3	179.6	-73	-64.5	-166.4	173	0	112.2	D51 Q67 I68 D70 F134	D51-R53 PolarHBondContact O-N 3.29Å; D51-R53 PolarHBondContact OD1-N 3.09Å; R53-Q67 CarbonylContact O-C 3.39Å; R53-Q67 WeakPolarHBondContact O-CA 3.23Å; R53-I68 PolarHBondContact NH1-O 3.27Å; R53-I68 VanDerWaalsContact NH1-O 3.17Å; R53-I68 PolarHBondContact O-N 2.92Å; R53-D70 IonicContact CZ-OD1 3.63Å; R53-D70 IonicContact CZ-OD2 3.64Å; R53-D70 VanDerWaalsContact NH1-CG 3.28Å; R53-D70 IonicContact NH1-OD1 3.54Å; R53-D70 PolarHBondContact NH1-OD1 2.94Å; R53-D70 IonicContact NH1-OD2 2.84Å; R53-D70 PolarHBondContact NH1-OD2 2.7Å; R53-D70 IonicContact NH2-OD1 3.75Å; R53-D70 IonicContact NH2-OD2 3.54Å; R53-D70 PolarHBondContact NH2-OD2 3.36Å; R53-F134 HydrophobicContact CB-CD1 3.94Å; R53-F134 HydrophobicContact CB-CE1 3.49Å; R53-F134 VanDerWaalsContact CB-CE1 3.49Å; R53-F134 HydrophobicContact CB-CE2 4.33Å; R53-F134 HydrophobicContact CB-CZ 3.71Å; R53-F134 HydrophobicContact CG-CD1 4.01Å; R53-F134 HydrophobicContact CG-CD2 4.07Å; R53-F134 HydrophobicContact CG-CE1 3.88Å; R53-F134 HydrophobicContact CG-CE2 3.93Å; R53-F134 HydrophobicContact CG-CG 4.11Å; R53-F134 HydrophobicContact CG-CZ 3.84Å
54	H	94.3	Very high	94.5	Very high	52 Å²	52	62.5 Å²	62.5	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.6	176.8	-62	99.1	0	0	0	110.6	K49 D51 G66 F134	K49-H54 HydrophobicContact CB-CB 4.15Å; K49-H54 WeakPolarHBondContact CB-O 3.26Å; K49-H54 HydrophobicContact CD-CB 3.68Å; K49-H54 HydrophobicContact CG-CB 4.08Å; K49-H54 PolarHBondContact N-O 3.05Å; D51-H54 PolarHBondContact OD1-N 2.9Å; D51-H54 IonicContact OD1-ND1 3.37Å; D51-H54 IonicContact OD2-CE1 3.49Å; D51-H54 IonicContact OD2-CG 2.68Å; D51-H54 IonicContact OD2-ND1 2.83Å; D51-H54 PolarHBondContact OD2-ND1 3.02Å; H54-G66 CarbonylContact C-O 3.6Å; H54-G66 WeakPolarHBondContact CA-O 3.22Å; H54-F134 AromaticContact CE1-CE1 3.94Å
55	T	95.2	Very high	94.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161.1	-178.3	62.5	0	0	0	0	111	E47 F48 G66 I68 M96	E47-T55 CarbonylContact O-C 3.59Å; E47-T55 WeakPolarHBondContact O-CA 3.43Å; E47-T55 VanDerWaalsContact O-CB 3.29Å; E47-T55 WeakPolarHBondContact O-CB 3.31Å; F48-T55 HydrophobicContact CB-CG2 4.34Å; F48-T55 HydrophobicContact CD1-CG2 3.36Å; F48-T55 HydrophobicContact CD2-CG2 4.19Å; F48-T55 HydrophobicContact CE1-CG2 3.55Å; F48-T55 HydrophobicContact CE2-CG2 4.35Å; F48-T55 HydrophobicContact CG-CG2 3.71Å; F48-T55 HydrophobicContact CZ-CG2 4.05Å; T55-G66 PolarHBondContact N-O 2.95Å; T55-G66 PolarHBondContact O-N 2.84Å; T55-G66 WeakPolarHBondContact OG1-CA 3.36Å; T55-G66 PolarHBondContact OG1-O 2.8Å; T55-I68 HydrophobicContact CG2-CD1 4.41Å; T55-I68 HydrophobicContact CG2-CG1 4.38Å; T55-M96 HydrophobicContact CG2-CE 3.47Å; T55-M96 VanDerWaalsContact CG2-CE 3.47Å; T55-M96 WeakPolarHBondContact OG1-CE 3.26Å
56	I	95.4	Very high	94.5	Very high	31 Å²	31	62 Å²	62	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.8	170.2	-58.8	174.9	0	0	0	106.4	E47 R58 V63	E47-I56 HydrophobicContact CB-CB 4.35Å; E47-I56 PolarHBondContact N-O 2.86Å; E47-I56 PolarHBondContact O-N 3.5Å; I56-R58 HydrophobicContact CG2-CG 4.4Å; I56-V63 HydrophobicContact CG2-CG1 3.64Å
57	V	95.1	Very high	94.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.2	177.4	-178.9	0	0	0	0	108.2	F44 T45 V46 Y64 M96 C98	F44-V57 HydrophobicContact CE2-CG1 3.84Å; F44-V57 HydrophobicContact CZ-CG1 4.12Å; T45-V57 CarbonylContact O-C 3.53Å; T45-V57 WeakPolarHBondContact O-CA 3.36Å; V46-V57 HydrophobicContact CG1-CG2 4.38Å; V46-V57 HydrophobicContact CG2-CG1 4.43Å; V46-V57 HydrophobicContact CG2-CG2 4.21Å; V57-Y64 PolarHBondContact N-O 2.93Å; V57-Y64 PolarHBondContact O-N 2.89Å; V57-M96 HydrophobicContact CG2-SD 3.51Å; V57-M96 VanDerWaalsContact CG2-SD 3.51Å; V57-C98 VanDerWaalsContact CG2-SG 3.57Å
58	R	94.9	Very high	94.4	Very high	113 Å²	113	56.1 Å²	56.1	43%	0.426	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.6	175.6	-52.5	178.1	179.5	-89.5	-3.7	108.3	F44 T45 I56 Q62 V63	F44-R58 CarbonylContact C-O 3.54Å; F44-R58 VanDerWaalsContact CA-O 3.23Å; F44-R58 WeakPolarHBondContact CA-O 3.49Å; T45-R58 PolarHBondContact N-O 2.87Å; T45-R58 PolarHBondContact O-N 3.04Å; T45-R58 WeakPolarHBondContact OG1-CB 2.99Å; I56-R58 HydrophobicContact CG2-CG 4.4Å; R58-Q62 CarbonylContact C-O 3.58Å; R58-Q62 VanDerWaalsContact CA-O 3.23Å; R58-Q62 WeakPolarHBondContact CA-O 3.36Å; R58-V63 HydrophobicContact CG-CG2 4.37Å; R58-V63 VanDerWaalsContact NH1-CG2 3.31Å
59	Y	94.8	Very high	94.4	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	124.4	177.3	175.3	-120.3	0	0	0	110.3	N29 L30 D33 F40 N43 F44 G61 Q62	N29-Y59 HydrophobicContact CB-CE1 4.01Å; N29-Y59 WeakPolarHBondContact CB-OH 3.47Å; N29-Y59 PolarHBondContact O-OH 3.19Å; N29-Y59 VanDerWaalsContact O-OH 3.1Å; L30-Y59 WeakPolarHBondContact CA-OH 3.5Å; L30-Y59 HydrophobicContact CB-CE1 3.98Å; L30-Y59 HydrophobicContact CB-CE2 4.44Å; L30-Y59 HydrophobicContact CD1-CD2 4.03Å; L30-Y59 HydrophobicContact CD1-CE2 3.78Å; L30-Y59 PolarHBondContact N-OH 3.15Å; L30-Y59 VanDerWaalsContact N-OH 3.1Å; D33-Y59 WeakPolarHBondContact OD2-CE2 3.48Å; D33-Y59 PolarHBondContact OD2-OH 3.17Å; F40-Y59 HydrophobicContact CE1-CE2 4.31Å; N43-Y59 CarbonylContact O-C 3.55Å; N43-Y59 VanDerWaalsContact O-CA 3.22Å; N43-Y59 WeakPolarHBondContact O-CA 3.44Å; F44-Y59 HydrophobicContact CB-CD2 4.32Å; F44-Y59 AromaticContact CD2-CD2 3.93Å; F44-Y59 HydrophobicContact CD2-CD2 3.93Å; F44-Y59 HydrophobicContact CD2-CG 4.25Å; Y59-G61 VanDerWaalsContact C-N 3.27Å; Y59-G61 PolarHBondContact O-N 3.46Å; Y59-Q62 PolarHBondContact N-O 3.48Å; Y59-Q62 WeakPolarHBondContact O-CB 3.18Å; Y59-Q62 PolarHBondContact O-N 3.06Å
60	N	92.4	Very high	94.4	Very high	73 Å²	73	51.2 Å²	51.2	39%	0.39	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.5	-179	-76.1	-14.8	0	0	0	113.7	D33 N43 Q62	D33-N60 PolarHBondContact OD2-ND2 3.07Å; N43-N60 PolarHBondContact O-N 2.92Å; N60-Q62 PolarHBondContact O-N 3.28Å
61	G	90.7	Very high	94.4	Very high	76 Å²	76	45.4 Å²	45.4	78%	0.784	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-9.8	-179.3	0	0	0	0	0	115.1	Y59	Y59-G61 VanDerWaalsContact C-N 3.27Å; Y59-G61 PolarHBondContact O-N 3.46Å
62	Q	93.9	Very high	94.4	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	150.8	173.9	-58	-59.1	-24.3	0	0	110.9	R58 Y59 N60 Y64	R58-Q62 CarbonylContact C-O 3.58Å; R58-Q62 VanDerWaalsContact CA-O 3.23Å; R58-Q62 WeakPolarHBondContact CA-O 3.36Å; Y59-Q62 PolarHBondContact N-O 3.48Å; Y59-Q62 WeakPolarHBondContact O-CB 3.18Å; Y59-Q62 PolarHBondContact O-N 3.06Å; N60-Q62 PolarHBondContact O-N 3.28Å; Q62-Y64 HydrophobicContact CB-CE2 3.67Å
63	V	94.3	Very high	94.6	Very high	61 Å²	61	38.4 Å²	38.4	37%	0.37	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.1	-179.5	-173.4	0	0	0	0	109.2	I56 R58	I56-V63 HydrophobicContact CG2-CG1 3.64Å; R58-V63 HydrophobicContact CG-CG2 4.37Å; R58-V63 VanDerWaalsContact NH1-CG2 3.31Å
64	Y	95.1	Very high	94.7	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.9	178.6	-54.2	-95.1	0	0	0	109.1	M21 D23 A26 V57 Q62 T99 Q100	M21-Y64 HydrophobicContact CE-CD1 3.72Å; M21-Y64 HydrophobicContact CE-CD2 3.69Å; M21-Y64 HydrophobicContact CE-CE1 3.6Å; M21-Y64 HydrophobicContact CE-CE2 3.58Å; M21-Y64 HydrophobicContact CE-CG 3.78Å; D23-Y64 HydrophobicContact CB-CE1 4.31Å; A26-Y64 HydrophobicContact CB-CE1 4.17Å; A26-Y64 WeakPolarHBondContact CB-OH 3.39Å; V57-Y64 PolarHBondContact N-O 2.93Å; V57-Y64 PolarHBondContact O-N 2.89Å; Q62-Y64 HydrophobicContact CB-CE2 3.67Å; Y64-T99 CarbonylContact C-O 3.56Å; Y64-T99 VanDerWaalsContact CA-O 3.26Å; Y64-T99 WeakPolarHBondContact CA-O 3.39Å; Y64-T99 WeakPolarHBondContact CB-O 3.38Å; Y64-Q100 HydrophobicContact CD1-CB 3.82Å; Y64-Q100 HydrophobicContact CD1-CG 4.23Å; Y64-Q100 HydrophobicContact CE1-CB 3.85Å; Y64-Q100 HydrophobicContact CE1-CG 4.03Å
65	Q	95	Very high	94.9	Very high	72 Å²	72	41.7 Å²	41.7	34%	0.336	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.1	167.7	-62.5	-62.5	-38.7	0	0	107.7	K49 C98 T99	K49-Q65 VanDerWaalsContact NZ-OE1 3.17Å; Q65-C98 CarbonylContact O-C 3.43Å; Q65-C98 WeakPolarHBondContact O-CA 3.37Å; Q65-T99 PolarHBondContact N-O 2.77Å; Q65-T99 PolarHBondContact O-N 2.78Å; Q65-T99 PolarHBondContact O-OG1 2.94Å
66	G	94.1	Very high	95	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.6	176	0	0	0	0	0	111.6	H54 T55 I97	H54-G66 CarbonylContact C-O 3.6Å; H54-G66 WeakPolarHBondContact CA-O 3.22Å; T55-G66 PolarHBondContact N-O 2.95Å; T55-G66 PolarHBondContact O-N 2.84Å; T55-G66 WeakPolarHBondContact OG1-CA 3.36Å; T55-G66 PolarHBondContact OG1-O 2.8Å; G66-I97 CarbonylContact C-O 3.56Å; G66-I97 VanDerWaalsContact CA-O 3.24Å; G66-I97 WeakPolarHBondContact CA-O 3.49Å
67	Q	94.5	Very high	95.1	Very high	31 Å²	31	45.9 Å²	45.9	15%	0.145	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	172.4	-167.3	176.8	0.1	0	0	110.1	R53 M69 M96 I97 L107 F134	R53-Q67 CarbonylContact O-C 3.39Å; R53-Q67 WeakPolarHBondContact O-CA 3.23Å; Q67-M69 HydrophobicContact CB-SD 4.43Å; Q67-M69 HydrophobicContact CG-SD 3.75Å; Q67-M96 CarbonylContact O-C 3.58Å; Q67-M96 WeakPolarHBondContact O-CA 3.48Å; Q67-I97 PolarHBondContact N-O 2.74Å; Q67-I97 PolarHBondContact O-N 2.85Å; Q67-L107 HydrophobicContact CB-CD1 4.1Å; Q67-F134 HydrophobicContact CG-CD1 4.21Å; Q67-F134 HydrophobicContact CG-CE1 4.25Å
68	I	96.1	Very high	95.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.5	177.4	-56.2	-60.1	0	0	0	109.6	F48 R53 T55 Q94 M95 M96	F48-I68 HydrophobicContact CE1-CD1 4.05Å; F48-I68 HydrophobicContact CE1-CG1 4.06Å; F48-I68 HydrophobicContact CZ-CD1 4.49Å; R53-I68 PolarHBondContact NH1-O 3.27Å; R53-I68 VanDerWaalsContact NH1-O 3.17Å; R53-I68 PolarHBondContact O-N 2.92Å; T55-I68 HydrophobicContact CG2-CD1 4.41Å; T55-I68 HydrophobicContact CG2-CG1 4.38Å; I68-Q94 HydrophobicContact CG2-CB 4.16Å; I68-Q94 HydrophobicContact CG2-CG 4.31Å; I68-M95 WeakPolarHBondContact CA-O 3.49Å; I68-M96 HydrophobicContact CD1-CB 3.64Å; I68-M96 HydrophobicContact CD1-CE 3.43Å; I68-M96 VanDerWaalsContact CD1-CE 3.43Å; I68-M96 HydrophobicContact CD1-CG 3.98Å
69	M	94.8	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.5	-179.1	-55.8	-57.3	-61.6	0	0	110.9	Q67 Q94 M95 I97 T110 E133 F134 F136	Q67-M69 HydrophobicContact CB-SD 4.43Å; Q67-M69 HydrophobicContact CG-SD 3.75Å; M69-Q94 CarbonylContact O-C 3.58Å; M69-Q94 VanDerWaalsContact O-CA 3.28Å; M69-Q94 WeakPolarHBondContact O-CA 3.49Å; M69-M95 PolarHBondContact N-O 3.17Å; M69-M95 PolarHBondContact O-N 3.26Å; M69-I97 HydrophobicContact CB-CD1 4.46Å; M69-I97 HydrophobicContact CG-CD1 3.75Å; M69-I97 HydrophobicContact CG-CG1 4.12Å; M69-T110 HydrophobicContact CE-CG2 3.33Å; M69-T110 HydrophobicContact SD-CG2 4.4Å; M69-E133 WeakPolarHBondContact CE-O 3.44Å; M69-F134 CarbonylContact C-O 3.53Å; M69-F134 WeakPolarHBondContact CA-O 3.46Å; M69-F134 WeakPolarHBondContact CE-O 3.35Å; M69-F134 HydrophobicContact SD-CD1 4.48Å; M69-F136 HydrophobicContact CB-CB 4.23Å
70	D	95.9	Very high	95.5	Very high	52 Å²	52	53.1 Å²	53.1	28%	0.278	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.5	175.6	-61	-28	0	0	0	109.6	R53 Q94 F134 F136	R53-D70 IonicContact CZ-OD1 3.63Å; R53-D70 IonicContact CZ-OD2 3.64Å; R53-D70 VanDerWaalsContact NH1-CG 3.28Å; R53-D70 IonicContact NH1-OD1 3.54Å; R53-D70 PolarHBondContact NH1-OD1 2.94Å; R53-D70 IonicContact NH1-OD2 2.84Å; R53-D70 PolarHBondContact NH1-OD2 2.7Å; R53-D70 IonicContact NH2-OD1 3.75Å; R53-D70 IonicContact NH2-OD2 3.54Å; R53-D70 PolarHBondContact NH2-OD2 3.36Å; D70-Q94 PolarHBondContact OD1-NE2 2.94Å; D70-F134 PolarHBondContact N-O 3.18Å; D70-F136 VanDerWaalsContact O-CB 3.28Å; D70-F136 WeakPolarHBondContact O-CB 3.36Å; D70-F136 PolarHBondContact O-N 3.21Å
71	L	96.1	Very high	95.7	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.9	177.1	-66.8	173.5	0	0	0	110.3	I18 C73 I75 C93 M95 F136 I140	I18-L71 HydrophobicContact CG1-CD1 4.36Å; L71-C73 VanDerWaalsContact C-N 3.29Å; L71-C73 PolarHBondContact O-N 2.74Å; L71-I75 HydrophobicContact CD1-CD1 3.92Å; L71-C93 PolarHBondContact N-O 3.02Å; L71-M95 HydrophobicContact CD1-CB 4.41Å; L71-M95 HydrophobicContact CD2-CB 4.08Å; L71-M95 HydrophobicContact CD2-CE 4.07Å; L71-M95 HydrophobicContact CG-CB 4.22Å; L71-F136 HydrophobicContact CD2-CD1 3.84Å; L71-F136 HydrophobicContact CD2-CG 4.46Å; L71-I140 HydrophobicContact CD1-CD1 3.89Å; L71-I140 HydrophobicContact CD1-CG1 4.2Å; L71-I140 HydrophobicContact CD2-CD1 3.65Å; L71-I140 HydrophobicContact CG-CD1 4.45Å
72	P	94.1	Very high	96	Very high	28 Å²	28	55.7 Å²	55.7	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-26	178.7	28.9	-34.3	0	0	0	112.4	F136 H138 V147 L148 F152	P72-F136 WeakPolarHBondContact CD-O 3.2Å; P72-H138 WeakPolarHBondContact CD-O 3.4Å; P72-H138 WeakPolarHBondContact CG-O 3.47Å; P72-V147 HydrophobicContact CB-CG1 3.74Å; P72-V147 HydrophobicContact CG-CG1 3.35Å; P72-L148 HydrophobicContact CB-CB 4.49Å; P72-F152 HydrophobicContact CB-CE2 3.87Å; P72-F152 HydrophobicContact CB-CZ 4.43Å; P72-F152 WeakPolarHBondContact O-CE2 3.48Å; P72-F152 WeakPolarHBondContact O-CZ 3.42Å
73	C	95.6	Very high	96.2	Very high	23 Å²	23	59.7 Å²	59.7	16%	0.155	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.6	179.5	-60.5	0	0	0	0	110.9	L71	L71-C73 VanDerWaalsContact C-N 3.29Å; L71-C73 PolarHBondContact O-N 2.74Å
74	I	96.7	Very high	96.3	Very high	129 Å²	129	65.1 Å²	65.1	66%	0.662	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.8	165.8	-58.3	171.4	0	0	0	108	N91	I74-N91 HydrophobicContact CG2-CB 4.42Å
75	I	97.8	Very high	96.4	Very high	52 Å²	52	69 Å²	69	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.1	176.4	-59.3	165.2	0	0	0	107.5	L71 N91 I92 I140	L71-I75 HydrophobicContact CD1-CD1 3.92Å; I75-N91 CarbonylContact O-C 3.51Å; I75-I92 HydrophobicContact CB-CB 4.13Å; I75-I92 PolarHBondContact N-O 3.32Å; I75-I92 PolarHBondContact O-N 3.2Å; I75-I140 HydrophobicContact CD1-CB 4.38Å; I75-I140 HydrophobicContact CD1-CG1 3.44Å; I75-I140 VanDerWaalsContact CD1-CG1 3.44Å
76	E	98.1	Very high	96.6	Very high	101 Å²	101	71 Å²	71	47%	0.472	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.5	172	-61.5	-170.1	146.7	0	0	108.9	L78 K88	E76-L78 HydrophobicContact CB-CD1 4.1Å; E76-L78 VanDerWaalsContact O-CD1 3.31Å; E76-L78 WeakPolarHBondContact O-CD1 3.22Å; E76-K88 WeakPolarHBondContact OE1-CE 3.47Å; E76-K88 IonicContact OE1-NZ 3.11Å; E76-K88 PolarHBondContact OE1-NZ 2.6Å
77	S	97.1	Very high	96.8	Very high	19 Å²	19	77.7 Å²	77.7	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.2	165.7	58.8	0	0	0	0	108.9	Q16 K88 T89 A90	Q16-S77 PolarHBondContact OE1-OG 3.3Å; S77-K88 WeakPolarHBondContact O-CA 3.21Å; S77-T89 VanDerWaalsContact C-OG1 3.31Å; S77-T89 WeakPolarHBondContact CB-OG1 3.17Å; S77-T89 PolarHBondContact O-N 2.83Å; S77-T89 PolarHBondContact O-OG1 2.92Å; S77-T89 VanDerWaalsContact O-OG1 3.04Å; S77-T89 PolarHBondContact OG-OG1 2.84Å; S77-A90 PolarHBondContact N-O 3.03Å; S77-A90 WeakPolarHBondContact OG-CB 3.08Å; S77-A90 PolarHBondContact OG-N 2.85Å; S77-A90 PolarHBondContact OG-O 3.05Å
78	L	98.1	Very high	96.9	Very high	88 Å²	88	81.3 Å²	81.3	46%	0.461	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.2	-179.3	-56.1	94.8	0	0	0	109.7	E76 F86 Y87	E76-L78 HydrophobicContact CB-CD1 4.1Å; E76-L78 VanDerWaalsContact O-CD1 3.31Å; E76-L78 WeakPolarHBondContact O-CD1 3.22Å; L78-F86 HydrophobicContact CB-CB 4.09Å; L78-F86 HydrophobicContact CB-CD1 3.96Å; L78-F86 HydrophobicContact CD2-CB 3.62Å; L78-F86 HydrophobicContact CD2-CG 4.43Å; L78-F86 HydrophobicContact CG-CB 4.5Å; L78-Y87 CarbonylContact C-O 3.6Å; L78-Y87 WeakPolarHBondContact CA-O 3.16Å
79	K	97.4	Very high	96.9	Very high	132 Å²	132	83.4 Å²	83.4	57%	0.574	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.8	169.5	71.4	-173.5	-63.8	170.9	0	110.6	Y87 T89	K79-Y87 PolarHBondContact N-O 2.84Å; K79-Y87 PolarHBondContact O-N 3.33Å; K79-T89 HydrophobicContact CB-CG2 3.92Å; K79-T89 HydrophobicContact CD-CG2 3.54Å; K79-T89 HydrophobicContact CG-CG2 3.68Å
80	T	97.2	Very high	97	Very high	48 Å²	48	83.8 Å²	83.8	29%	0.294	41%	0.414	S	S	.	.			trans	-142.3	150.3	174.9	-175.7	0	0	0	0	109.8	D82 K83 N85 F86	T80-D82 PolarHBondContact OG1-N 3.14Å; T80-D82 PolarHBondContact OG1-OD1 3Å; T80-K83 HydrophobicContact CG2-CG 4.48Å; T80-K83 WeakPolarHBondContact OG1-CA 3.28Å; T80-K83 PolarHBondContact OG1-N 2.9Å; T80-N85 WeakPolarHBondContact CB-O 3.45Å; T80-N85 PolarHBondContact OG1-O 3.12Å; T80-F86 HydrophobicContact CG2-CD1 4.2Å; T80-F86 HydrophobicContact CG2-CE1 3.8Å; T80-F86 HydrophobicContact CG2-CZ 4.2Å
81	T	97.6	Very high	97.1	Very high	136 Å²	136	85.5 Å²	85.5	83%	0.834	42%	0.423	S	S	*	.	S	Bend	trans	-110.2	-21.4	172.8	53.3	0	0	0	0	112.3
82	D	97.4	Very high	97.1	Very high	67 Å²	67	85.3 Å²	85.3	36%	0.358	42%	0.421	S	S	.	.	S	Bend	trans	-119.6	0.2	-173.8	66.7	-3.9	0	0	0	113.5	T80 K84 N85	T80-D82 PolarHBondContact OG1-N 3.14Å; T80-D82 PolarHBondContact OG1-OD1 3Å; D82-K84 PolarHBondContact O-N 2.76Å; D82-K84 PolarHBondContact OD1-N 2.88Å; D82-N85 PolarHBondContact OD1-N 3.21Å; D82-N85 PolarHBondContact OD2-ND2 3.38Å
83	K	97	Very high	97.3	Very high	182 Å²	182	86.9 Å²	86.9	79%	0.791	43%	0.433	S	S	*	.	S	Bend	trans	59.1	21.2	-175.3	-53.5	-178.1	179.5	-176.4	0	113.8	T80	T80-K83 HydrophobicContact CG2-CG 4.48Å; T80-K83 WeakPolarHBondContact OG1-CA 3.28Å; T80-K83 PolarHBondContact OG1-N 2.9Å
84	K	97.3	Very high	97.3	Very high	175 Å²	175	89.2 Å²	89.2	76%	0.761	44%	0.441	S	S	*	.	S	Bend	trans	-128.3	-48.2	179.7	-65.2	-179.6	-177.8	-178.1	0	111.6	D82 F86	D82-K84 PolarHBondContact O-N 2.76Å; D82-K84 PolarHBondContact OD1-N 2.88Å; K84-F86 WeakPolarHBondContact O-CD2 3.32Å
85	N	97.5	Very high	97.3	Very high	88 Å²	88	83 Å²	83	47%	0.471	41%	0.41	S	S	.	.	S	Bend	trans	-95.7	123.8	175.7	-65.4	-69.3	0	0	0	108.9	T80 D82 Y87	T80-N85 WeakPolarHBondContact CB-O 3.45Å; T80-N85 PolarHBondContact OG1-O 3.12Å; D82-N85 PolarHBondContact OD1-N 3.21Å; D82-N85 PolarHBondContact OD2-ND2 3.38Å; N85-Y87 HydrophobicContact CB-CE2 4.04Å
86	F	98.2	Very high	97.3	Very high	115 Å²	115	80.6 Å²	80.6	50%	0.504	40%	0.397	S	S	.	.			trans	-113.9	133.7	-178.8	-70.3	-98.9	0	0	0	109.5	L78 T80 K84	L78-F86 HydrophobicContact CB-CB 4.09Å; L78-F86 HydrophobicContact CB-CD1 3.96Å; L78-F86 HydrophobicContact CD2-CB 3.62Å; L78-F86 HydrophobicContact CD2-CG 4.43Å; L78-F86 HydrophobicContact CG-CB 4.5Å; T80-F86 HydrophobicContact CG2-CD1 4.2Å; T80-F86 HydrophobicContact CG2-CE1 3.8Å; T80-F86 HydrophobicContact CG2-CZ 4.2Å; K84-F86 WeakPolarHBondContact O-CD2 3.32Å
87	Y	97.6	Very high	97.2	Very high	144 Å²	144	76.2 Å²	76.2	57%	0.565	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	-180	-58.6	-87.7	0	0	0	108.3	L78 K79 N85 T89	L78-Y87 CarbonylContact C-O 3.6Å; L78-Y87 WeakPolarHBondContact CA-O 3.16Å; K79-Y87 PolarHBondContact N-O 2.84Å; K79-Y87 PolarHBondContact O-N 3.33Å; N85-Y87 HydrophobicContact CB-CE2 4.04Å; Y87-T89 PolarHBondContact O-N 3.14Å
88	K	97.7	Very high	97.1	Very high	107 Å²	107	75.3 Å²	75.3	47%	0.465	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.4	176.6	179.7	173.9	-179.9	164.6	0	110.5	E76 S77 N91	E76-K88 WeakPolarHBondContact OE1-CE 3.47Å; E76-K88 IonicContact OE1-NZ 3.11Å; E76-K88 PolarHBondContact OE1-NZ 2.6Å; S77-K88 WeakPolarHBondContact O-CA 3.21Å; K88-N91 WeakPolarHBondContact CE-OD1 3.15Å; K88-N91 PolarHBondContact NZ-OD1 2.74Å
89	T	96.5	Very high	96.8	Very high	49 Å²	49	71.7 Å²	71.7	30%	0.301	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-45.9	177.4	44.5	0	0	0	0	112.2	S77 K79 Y87	S77-T89 VanDerWaalsContact C-OG1 3.31Å; S77-T89 WeakPolarHBondContact CB-OG1 3.17Å; S77-T89 PolarHBondContact O-N 2.83Å; S77-T89 PolarHBondContact O-OG1 2.92Å; S77-T89 VanDerWaalsContact O-OG1 3.04Å; S77-T89 PolarHBondContact OG-OG1 2.84Å; K79-T89 HydrophobicContact CB-CG2 3.92Å; K79-T89 HydrophobicContact CD-CG2 3.54Å; K79-T89 HydrophobicContact CG-CG2 3.68Å; Y87-T89 PolarHBondContact O-N 3.14Å
90	A	96.5	Very high	96.3	Very high	9 Å²	9	69.6 Å²	69.6	7%	0.074	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	166.9	179.7	0	0	0	0	0	112.2	Q16 S77	Q16-A90 HydrophobicContact CB-CB 4.04Å; Q16-A90 HydrophobicContact CG-CB 3.85Å; S77-A90 PolarHBondContact N-O 3.03Å; S77-A90 WeakPolarHBondContact OG-CB 3.08Å; S77-A90 PolarHBondContact OG-N 2.85Å; S77-A90 PolarHBondContact OG-O 3.05Å
91	N	96.9	Very high	95.2	Very high	88 Å²	88	69.3 Å²	69.3	47%	0.471	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.5	162.4	-65.5	-45.7	0	0	0	108.4	I74 I75 K88	I74-N91 HydrophobicContact CG2-CB 4.42Å; I75-N91 CarbonylContact O-C 3.51Å; K88-N91 WeakPolarHBondContact CE-OD1 3.15Å; K88-N91 PolarHBondContact NZ-OD1 2.74Å
92	I	97.6	Very high	93.7	Very high	11 Å²	11	70.1 Å²	70.1	6%	0.056	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	176.1	-61.1	168	0	0	0	107.7	Q16 I18 I75	Q16-I92 HydrophobicContact CB-CD1 4.14Å; Q16-I92 HydrophobicContact CB-CG1 3.78Å; I18-I92 HydrophobicContact CD1-CD1 4.38Å; I18-I92 HydrophobicContact CD1-CG2 4.08Å; I18-I92 HydrophobicContact CG1-CG2 3.84Å; I75-I92 HydrophobicContact CB-CB 4.13Å; I75-I92 PolarHBondContact N-O 3.32Å; I75-I92 PolarHBondContact O-N 3.2Å
93	C	96.6	Very high	92	Very high	62 Å²	62	73.7 Å²	73.7	42%	0.419	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	8.3	178.4	59.6	0	0	0	0	113	L71	L71-C93 PolarHBondContact N-O 3.02Å
94	Q	97.2	Very high	90.3	Very high	71 Å²	71	71.9 Å²	71.9	33%	0.332	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.3	-178.5	-69.9	-174.9	-30.3	0	0	111.6	F17 I18 I68 M69 D70	F17-Q94 HydrophobicContact CB-CB 4.36Å; I18-Q94 PolarHBondContact N-O 3.36Å; I68-Q94 HydrophobicContact CG2-CB 4.16Å; I68-Q94 HydrophobicContact CG2-CG 4.31Å; M69-Q94 CarbonylContact O-C 3.58Å; M69-Q94 VanDerWaalsContact O-CA 3.28Å; M69-Q94 WeakPolarHBondContact O-CA 3.49Å; D70-Q94 PolarHBondContact OD1-NE2 2.94Å
95	M	96.8	Very high	89.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.4	175.3	177.4	-172.5	-72.5	0	0	110.4	I18 R20 I68 M69 L71 I97 I140	I18-M95 HydrophobicContact CB-CB 4.12Å; I18-M95 HydrophobicContact CB-CE 4.16Å; I18-M95 HydrophobicContact CB-CG 4.04Å; I18-M95 HydrophobicContact CG2-CE 3.73Å; I18-M95 HydrophobicContact CG2-CG 4.09Å; I18-M95 CarbonylContact O-C 3.58Å; I18-M95 WeakPolarHBondContact O-CA 3.35Å; I18-M95 WeakPolarHBondContact O-CG 3.46Å; R20-M95 HydrophobicContact CB-CG 4.17Å; R20-M95 HydrophobicContact CB-SD 3.82Å; R20-M95 HydrophobicContact CG-SD 4.48Å; R20-M95 VanDerWaalsContact NH2-CE 3.26Å; I68-M95 WeakPolarHBondContact CA-O 3.49Å; M69-M95 PolarHBondContact N-O 3.17Å; M69-M95 PolarHBondContact O-N 3.26Å; L71-M95 HydrophobicContact CD1-CB 4.41Å; L71-M95 HydrophobicContact CD2-CB 4.08Å; L71-M95 HydrophobicContact CD2-CE 4.07Å; L71-M95 HydrophobicContact CG-CB 4.22Å; M95-I97 HydrophobicContact CG-CG1 4Å; M95-I97 HydrophobicContact SD-CD1 4.15Å; M95-I97 HydrophobicContact SD-CG1 3.7Å; M95-I140 HydrophobicContact CE-CD1 3.03Å; M95-I140 HydrophobicContact CE-CG1 4.5Å
96	M	96.8	Very high	88.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.8	164.1	-177.2	178	-68.6	0	0	109.4	F17 I18 L19 R20 V46 F48 T55 V57 Q67 I68	F17-M96 HydrophobicContact CD2-CB 4.02Å; F17-M96 HydrophobicContact CE2-CB 3.83Å; F17-M96 HydrophobicContact CE2-CE 3.9Å; F17-M96 HydrophobicContact CE2-SD 4.35Å; F17-M96 HydrophobicContact CZ-CE 4.11Å; I18-M96 PolarHBondContact O-N 2.85Å; L19-M96 HydrophobicContact CD1-CB 4.01Å; L19-M96 HydrophobicContact CD1-CG 3.93Å; L19-M96 HydrophobicContact CD1-SD 3.54Å; L19-M96 VanDerWaalsContact CD1-SD 3.54Å; R20-M96 PolarHBondContact N-O 2.95Å; V46-M96 HydrophobicContact CG1-CE 3.64Å; V46-M96 HydrophobicContact CG1-SD 4.07Å; F48-M96 HydrophobicContact CE1-CE 4.22Å; F48-M96 HydrophobicContact CE2-CE 4.35Å; F48-M96 HydrophobicContact CZ-CE 3.79Å; T55-M96 HydrophobicContact CG2-CE 3.47Å; T55-M96 VanDerWaalsContact CG2-CE 3.47Å; T55-M96 WeakPolarHBondContact OG1-CE 3.26Å; V57-M96 HydrophobicContact CG2-SD 3.51Å; V57-M96 VanDerWaalsContact CG2-SD 3.51Å; Q67-M96 CarbonylContact O-C 3.58Å; Q67-M96 WeakPolarHBondContact O-CA 3.48Å; I68-M96 HydrophobicContact CD1-CB 3.64Å; I68-M96 HydrophobicContact CD1-CE 3.43Å; I68-M96 VanDerWaalsContact CD1-CE 3.43Å; I68-M96 HydrophobicContact CD1-CG 3.98Å
97	I	95.4	Very high	87.7	Confident	9 Å²	9	59 Å²	59	5%	0.046	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.3	173.4	-56.3	-179.1	0	0	0	108.5	T22 G66 Q67 M69 M95 T99 L107 F136	T22-I97 HydrophobicContact CG2-CG2 3.62Å; G66-I97 CarbonylContact C-O 3.56Å; G66-I97 VanDerWaalsContact CA-O 3.24Å; G66-I97 WeakPolarHBondContact CA-O 3.49Å; Q67-I97 PolarHBondContact N-O 2.74Å; Q67-I97 PolarHBondContact O-N 2.85Å; M69-I97 HydrophobicContact CB-CD1 4.46Å; M69-I97 HydrophobicContact CG-CD1 3.75Å; M69-I97 HydrophobicContact CG-CG1 4.12Å; M95-I97 HydrophobicContact CG-CG1 4Å; M95-I97 HydrophobicContact SD-CD1 4.15Å; M95-I97 HydrophobicContact SD-CG1 3.7Å; I97-T99 HydrophobicContact CG2-CG2 4.49Å; I97-L107 HydrophobicContact CB-CD1 4.07Å; I97-L107 HydrophobicContact CD1-CD1 4.26Å; I97-L107 HydrophobicContact CG2-CD1 4.05Å; I97-F136 HydrophobicContact CD1-CD2 4.12Å; I97-F136 HydrophobicContact CD1-CE2 3.93Å
98	C	95	Very high	87	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116	-179.2	-57.9	0	0	0	0	110.6	L19 R20 M21 T22 V57 Q65	L19-C98 VanDerWaalsContact CD1-SG 3.59Å; R20-C98 PolarHBondContact O-N 2.93Å; M21-C98 HydrophobicContact CE-CB 4.37Å; M21-C98 HydrophobicContact SD-CB 3.6Å; T22-C98 WeakPolarHBondContact CB-O 3.23Å; T22-C98 PolarHBondContact N-O 2.74Å; T22-C98 PolarHBondContact OG1-O 2.87Å; V57-C98 VanDerWaalsContact CG2-SG 3.57Å; Q65-C98 CarbonylContact O-C 3.43Å; Q65-C98 WeakPolarHBondContact O-CA 3.37Å
99	T	92.9	Very high	86.3	Confident	13 Å²	13	53.5 Å²	53.5	8%	0.08	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.9	176.3	53.4	0	0	0	0	112	T22 Y64 Q65 I97 L107	T22-T99 HydrophobicContact CG2-CG2 3.88Å; T22-T99 WeakPolarHBondContact OG1-CA 3.2Å; Y64-T99 CarbonylContact C-O 3.56Å; Y64-T99 VanDerWaalsContact CA-O 3.26Å; Y64-T99 WeakPolarHBondContact CA-O 3.39Å; Y64-T99 WeakPolarHBondContact CB-O 3.38Å; Q65-T99 PolarHBondContact N-O 2.77Å; Q65-T99 PolarHBondContact O-N 2.78Å; Q65-T99 PolarHBondContact O-OG1 2.94Å; I97-T99 HydrophobicContact CG2-CG2 4.49Å; T99-L107 HydrophobicContact CG2-CD2 3.54Å
100	Q	87	Confident	85.9	Confident	88 Å²	88	51.2 Å²	51.2	41%	0.411	29%	0.289	S	S	.	.			trans	-97.9	127.6	174.1	-162.5	176.9	20.7	0	0	109.4	Y64	Y64-Q100 HydrophobicContact CD1-CB 3.82Å; Y64-Q100 HydrophobicContact CD1-CG 4.23Å; Y64-Q100 HydrophobicContact CE1-CB 3.85Å; Y64-Q100 HydrophobicContact CE1-CG 4.03Å
101	G	73.9	Confident	85.4	Confident	42 Å²	42	51.1 Å²	51.1	43%	0.433	29%	0.288	S	S	.	.	S	Bend	trans	99.4	174.7	179.7	0	0	0	0	0	114.3	E103	G101-E103 PolarHBondContact O-N 2.9Å; G101-E103 VanDerWaalsContact O-N 3.09Å
102	D	65.3	Low	84.8	Confident	152 Å²	152	47.4 Å²	47.4	81%	0.813	27%	0.27	S	S	*	.			trans	-85.5	43.3	-177.5	-59.1	-34.9	0	0	0	111.5	T104	D102-T104 VanDerWaalsContact C-N 3.34Å; D102-T104 PolarHBondContact O-N 3.03Å
103	E	61.7	Low	84.2	Confident	142 Å²	142	51.6 Å²	51.6	66%	0.664	29%	0.285	S	S	*	.			trans	-63.8	100.7	171.6	-68.4	-158.7	161.6	0	0	108.4	G101 G105	G101-E103 PolarHBondContact O-N 2.9Å; G101-E103 VanDerWaalsContact O-N 3.09Å; E103-G105 VanDerWaalsContact C-N 3.32Å
104	T	62.8	Low	83.2	Confident	144 Å²	144	50.2 Å²	50.2	88%	0.883	27%	0.274	S	S	*	.			trans	-90.8	-0.6	-177.1	41.6	0	0	0	0	112.4	D102	D102-T104 VanDerWaalsContact C-N 3.34Å; D102-T104 PolarHBondContact O-N 3.03Å
105	G	73.8	Confident	82.2	Confident	46 Å²	46	48.1 Å²	48.1	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	-84	162	177.6	0	0	0	0	0	112.5	E103	E103-G105 VanDerWaalsContact C-N 3.32Å
106	P	79.3	Confident	80.8	Confident	45 Å²	45	53.1 Å²	53.1	29%	0.292	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.4	170.4	29.2	-37.1	0	0	0	110.3	A112 Y113 N116	P106-A112 HydrophobicContact CB-CB 3.71Å; P106-Y113 HydrophobicContact CG-CD2 4.19Å; P106-Y113 WeakPolarHBondContact O-CD2 3.34Å; P106-N116 HydrophobicContact CG-CB 4Å; P106-N116 WeakPolarHBondContact CG-ND2 3Å
107	L	83.3	Confident	79.4	Confident	18 Å²	18	57.3 Å²	57.3	9%	0.094	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67.2	135	179.1	-64.4	174.4	0	0	0	110.8	Q67 I97 T99 T110 Y113	Q67-L107 HydrophobicContact CB-CD1 4.1Å; I97-L107 HydrophobicContact CB-CD1 4.07Å; I97-L107 HydrophobicContact CD1-CD1 4.26Å; I97-L107 HydrophobicContact CG2-CD1 4.05Å; T99-L107 HydrophobicContact CG2-CD2 3.54Å; L107-T110 HydrophobicContact CB-CG2 3.71Å; L107-T110 WeakPolarHBondContact O-CB 3.14Å; L107-T110 WeakPolarHBondContact O-CG2 3.32Å; L107-T110 PolarHBondContact O-N 2.76Å; L107-T110 PolarHBondContact O-OG1 2.85Å; L107-Y113 WeakPolarHBondContact O-CB 3.42Å
108	R	83.7	Confident	77.6	Confident	133 Å²	133	63 Å²	63	50%	0.502	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	142.2	174	-175.6	179.3	172.2	-166.6	-1.4	111.1	T110 Y113 T227 D229	R108-T110 VanDerWaalsContact C-N 3.31Å; R108-Y113 HydrophobicContact CB-CD2 4.37Å; R108-Y113 HydrophobicContact CB-CE2 4.32Å; R108-T227 VanDerWaalsContact NH2-CG2 3.33Å; R108-D229 IonicContact CZ-OD2 2.7Å; R108-D229 IonicContact NE-OD2 3.14Å; R108-D229 PolarHBondContact NE-OD2 2.71Å; R108-D229 IonicContact NH2-OD2 3.45Å; R108-D229 PolarHBondContact NH2-OD2 2.75Å; R108-D229 VanDerWaalsContact NH2-OD2 3.14Å
109	G	83.7	Confident	75.9	Confident	2 Å²	2	66.4 Å²	66.4	2%	0.021	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	8.7	-177.9	0	0	0	0	0	114.6	F136 L137 H138	G109-F136 WeakPolarHBondContact O-CD2 3.28Å; G109-L137 WeakPolarHBondContact O-CB 3.43Å; G109-L137 WeakPolarHBondContact O-CG 3.48Å; G109-L137 PolarHBondContact O-N 2.9Å; G109-H138 WeakPolarHBondContact CA-NE2 3.43Å
110	T	87.9	Confident	74.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-104.4	157.1	173.2	70.4	0	0	0	0	111.1	M69 L107 R108 A112 Y113 Q135 F136	M69-T110 HydrophobicContact CE-CG2 3.33Å; M69-T110 HydrophobicContact SD-CG2 4.4Å; L107-T110 HydrophobicContact CB-CG2 3.71Å; L107-T110 WeakPolarHBondContact O-CB 3.14Å; L107-T110 WeakPolarHBondContact O-CG2 3.32Å; L107-T110 PolarHBondContact O-N 2.76Å; L107-T110 PolarHBondContact O-OG1 2.85Å; R108-T110 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.23Å; T110-Y113 WeakPolarHBondContact O-CB 3.22Å; T110-Y113 PolarHBondContact O-N 3Å; T110-Y113 VanDerWaalsContact O-N 3.17Å; T110-Y113 PolarHBondContact OG1-N 3.29Å; T110-Q135 WeakPolarHBondContact CA-O 3.35Å; T110-F136 HydrophobicContact CG2-CD2 4.19Å
111	A	85.8	Confident	72.9	Confident	7 Å²	7	72.5 Å²	72.5	6%	0.058	40%	0.403	C	S	.	.	H	α-helix	trans	-65.4	-30.2	174.6	0	0	0	0	0	111.9	Y113 L114 D115 R132 Q135 L137	A111-Y113 PolarHBondContact O-N 3.43Å; A111-L114 PolarHBondContact O-N 3.38Å; A111-L114 VanDerWaalsContact O-N 3.16Å; A111-D115 PolarHBondContact O-N 3.29Å; A111-R132 HydrophobicContact CB-CB 3.93Å; A111-R132 HydrophobicContact CB-CG 4.36Å; A111-R132 WeakPolarHBondContact CB-O 3.44Å; A111-Q135 HydrophobicContact CB-CB 4.19Å; A111-Q135 PolarHBondContact N-O 2.78Å; A111-L137 HydrophobicContact CB-CD2 3.98Å
112	A	84.3	Confident	71.9	Confident	10 Å²	10	74.1 Å²	74.1	8%	0.083	40%	0.402	C	S	.	.	H	α-helix	trans	-57.6	-33.3	172.5	0	0	0	0	0	113.4	P106 T110 N116 E133	P106-A112 HydrophobicContact CB-CB 3.71Å; T110-A112 PolarHBondContact O-N 3.23Å; A112-N116 WeakPolarHBondContact O-CB 3.22Å; A112-N116 PolarHBondContact O-N 2.94Å; A112-N116 PolarHBondContact O-ND2 3.5Å; A112-N116 VanDerWaalsContact O-ND2 3.16Å; A112-E133 HydrophobicContact CB-CG 4.48Å
113	Y	84.2	Confident	71.2	Confident	98 Å²	98	76.2 Å²	76.2	38%	0.384	40%	0.404	S	S	.	.	H	α-helix	trans	-69	-39.2	178.6	-174.8	-93.1	0	0	0	111.8	P106 L107 R108 T110 A111	P106-Y113 HydrophobicContact CG-CD2 4.19Å; P106-Y113 WeakPolarHBondContact O-CD2 3.34Å; L107-Y113 WeakPolarHBondContact O-CB 3.42Å; R108-Y113 HydrophobicContact CB-CD2 4.37Å; R108-Y113 HydrophobicContact CB-CE2 4.32Å; T110-Y113 WeakPolarHBondContact O-CB 3.22Å; T110-Y113 PolarHBondContact O-N 3Å; T110-Y113 VanDerWaalsContact O-N 3.17Å; T110-Y113 PolarHBondContact OG1-N 3.29Å; A111-Y113 PolarHBondContact O-N 3.43Å
114	L	77.4	Confident	70.4	Confident	33 Å²	33	74.1 Å²	74.1	17%	0.173	40%	0.401	C	S	.	.	H	α-helix	trans	-70.4	-42.3	176.1	-60.9	-177.3	0	0	0	111.6	A111 N116 R117 L137 L232	A111-L114 PolarHBondContact O-N 3.38Å; A111-L114 VanDerWaalsContact O-N 3.16Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.35Å; L114-R117 WeakPolarHBondContact O-CB 3.33Å; L114-R117 PolarHBondContact O-N 2.78Å; L114-L137 HydrophobicContact CD1-CD1 3.5Å; L114-L137 HydrophobicContact CG-CD1 3.95Å; L114-L232 HydrophobicContact CD1-CD1 4.1Å; L114-L232 HydrophobicContact CD2-CD1 4.31Å
115	D	75.4	Confident	69.5	Low	28 Å²	28	76.9 Å²	76.9	15%	0.15	40%	0.401	C	S	.	.	H	α-helix	trans	-62.9	-33.6	-179.5	-81.6	-9.3	0	0	0	112.8	A111 R117 S120 H129 R132	A111-D115 PolarHBondContact O-N 3.29Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 2.68Å; D115-S120 WeakPolarHBondContact O-CB 3.21Å; D115-H129 IonicContact OD2-CD2 2.86Å; D115-H129 IonicContact OD2-NE2 3.17Å; D115-R132 IonicContact OD1-CZ 2.76Å; D115-R132 IonicContact OD1-NE 3.77Å; D115-R132 IonicContact OD1-NH2 3.74Å; D115-R132 IonicContact OD2-CZ 3.7Å; D115-R132 IonicContact OD2-NE 3.32Å; D115-R132 PolarHBondContact OD2-NE 2.82Å; D115-R132 IonicContact OD2-NH2 3.72Å; D115-R132 PolarHBondContact OD2-NH2 2.78Å
116	N	68.3	Low	68.1	Low	105 Å²	105	79 Å²	79	56%	0.561	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.9	-178.8	-75.8	-35.8	0	0	0	114.4	P106 A112 L114	P106-N116 HydrophobicContact CG-CB 4Å; P106-N116 WeakPolarHBondContact CG-ND2 3Å; A112-N116 WeakPolarHBondContact O-CB 3.22Å; A112-N116 PolarHBondContact O-N 2.94Å; A112-N116 PolarHBondContact O-ND2 3.5Å; A112-N116 VanDerWaalsContact O-ND2 3.16Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.35Å
117	R	65.7	Low	66.5	Low	88 Å²	88	81.5 Å²	81.5	33%	0.332	41%	0.411	S	S	.	.	S	Bend	trans	-72.8	133.8	179.7	-158.4	177.9	-168.9	176.7	12.6	111.1	L114 D115 G119 S120 D230 E233	L114-R117 WeakPolarHBondContact O-CB 3.33Å; L114-R117 PolarHBondContact O-N 2.78Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 2.68Å; R117-G119 PolarHBondContact O-N 3.49Å; R117-S120 PolarHBondContact O-N 3.32Å; R117-S120 VanDerWaalsContact O-N 3.07Å; R117-D230 IonicContact CZ-OD1 3.95Å; R117-D230 IonicContact NH1-OD1 3.47Å; R117-D230 PolarHBondContact NH1-OD1 3.12Å; R117-D230 IonicContact NH2-OD1 2.62Å; R117-D230 PolarHBondContact NH2-OD1 2.73Å; R117-E233 IonicContact CZ-OE1 3.58Å; R117-E233 IonicContact NE-OE1 3.24Å; R117-E233 PolarHBondContact NE-OE1 2.86Å; R117-E233 IonicContact NH1-OE1 2.81Å; R117-E233 PolarHBondContact NH1-OE1 2.91Å; R117-E233 IonicContact NH2-OE1 3.49Å
118	P	57.4	Low	65.1	Low	129 Å²	129	82.5 Å²	82.5	84%	0.838	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	111.4	175.9	23.5	-33	0	0	0	110.2
119	G	60.9	Low	63.7	Low	70 Å²	70	79.9 Å²	79.9	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.3	-14.7	-174.9	0	0	0	0	0	114.3	R117 R121	R117-G119 PolarHBondContact O-N 3.49Å; G119-R121 PolarHBondContact O-N 3.12Å
120	S	61.2	Low	62.3	Low	37 Å²	37	86.6 Å²	86.6	26%	0.259	44%	0.444	S	S	.	.			trans	-63.5	107.8	175.6	-175.1	0	0	0	0	110.7	D115 R117 N122	D115-S120 WeakPolarHBondContact O-CB 3.21Å; R117-S120 PolarHBondContact O-N 3.32Å; R117-S120 VanDerWaalsContact O-N 3.07Å; S120-N122 PolarHBondContact O-N 3.22Å
121	R	54.6	Low	61.1	Low	192 Å²	192	91.9 Å²	91.9	73%	0.725	47%	0.472	S	S	*	.			trans	-72.8	-6	177	-79	-177.7	-89	150.2	0.7	112.6	G119 K123 D237	G119-R121 PolarHBondContact O-N 3.12Å; R121-K123 PolarHBondContact O-N 2.87Å; R121-D237 IonicContact CZ-OD1 2.72Å; R121-D237 IonicContact NH2-OD1 3.44Å; R121-D237 PolarHBondContact NH2-OD1 3.17Å; R121-D237 IonicContact NH2-OD2 3.76Å
122	N	53.2	Low	60.9	Low	76 Å²	76	93.6 Å²	93.6	41%	0.406	48%	0.477	S	S	.	.			trans	-83.8	31.3	-175.8	-67.6	-23.6	0	0	0	113.9	S120 T124	S120-N122 PolarHBondContact O-N 3.22Å; N122-T124 PolarHBondContact O-N 3.21Å
123	K	51.4	Low	60.9	Low	196 Å²	196	97.2 Å²	97.2	85%	0.852	49%	0.493	S	S	*	.			trans	-77	6.1	175.8	-123	176.3	-170.8	174.7	0	113.8	R121 F125	R121-K123 PolarHBondContact O-N 2.87Å; K123-F125 PolarHBondContact O-N 2.9Å
124	T	43.6	Very low	61.3	Low	99 Å²	99	94 Å²	94	61%	0.607	48%	0.48	S	S	*	.	S	Bend	trans	-65	121.3	169.5	51	0	0	0	0	108.2	N122 D126	N122-T124 PolarHBondContact O-N 3.21Å; T124-D126 PolarHBondContact O-N 2.74Å
125	F	43.9	Very low	62	Low	202 Å²	202	95.6 Å²	95.6	89%	0.886	49%	0.487	S	S	*	.			trans	-61.7	70	178.2	-164.6	-91.2	0	0	0	110.1	K123	K123-F125 PolarHBondContact O-N 2.9Å
126	D	44.1	Very low	62.9	Low	89 Å²	89	94.6 Å²	94.6	48%	0.476	48%	0.481	S	S	.	.			trans	-89	136.3	174.8	-156.3	-12.7	0	0	0	106.8	T124 S128 H129	T124-D126 PolarHBondContact O-N 2.74Å; D126-S128 PolarHBondContact O-N 2.61Å; D126-H129 WeakPolarHBondContact O-CB 3.32Å; D126-H129 PolarHBondContact O-N 3.28Å
127	I	46	Very low	64.1	Low	98 Å²	98	89.7 Å²	89.7	50%	0.503	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-18.4	176	-67.4	164.8	0	0	0	110.7	H129	I127-H129 PolarHBondContact O-N 3.09Å
128	S	54.2	Low	65.4	Low	39 Å²	39	86.7 Å²	86.7	27%	0.273	45%	0.445	S	S	.	.	H	α-helix	trans	-59	-23.2	168.5	-171.1	0	0	0	0	115.3	D126 N131 R132	D126-S128 PolarHBondContact O-N 2.61Å; S128-N131 PolarHBondContact O-N 3.36Å; S128-R132 WeakPolarHBondContact O-CG 3.47Å; S128-R132 PolarHBondContact O-N 3.43Å
129	H	55	Low	67.2	Low	78 Å²	78	81 Å²	81	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-67.7	-40.6	-171.9	-167.8	-67.7	0	0	0	112.5	D115 D126 I127 N131 R132 E133	D115-H129 IonicContact OD2-CD2 2.86Å; D115-H129 IonicContact OD2-NE2 3.17Å; D126-H129 WeakPolarHBondContact O-CB 3.32Å; D126-H129 PolarHBondContact O-N 3.28Å; I127-H129 PolarHBondContact O-N 3.09Å; H129-N131 VanDerWaalsContact C-N 3.26Å; H129-N131 PolarHBondContact O-N 3.38Å; H129-R132 PolarHBondContact CD2-NH2 2.97Å; H129-R132 VanDerWaalsContact CD2-NH2 3.32Å; H129-R132 PolarHBondContact O-N 2.92Å; H129-E133 PolarHBondContact O-N 3.04Å
130	E	54.7	Low	68.9	Low	144 Å²	144	80.2 Å²	80.2	67%	0.673	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-37.2	176.5	-66.1	177.7	-178.7	0	0	111.2	R132 E133	E130-R132 PolarHBondContact O-N 2.95Å; E130-E133 PolarHBondContact O-N 2.79Å
131	N	61.7	Low	70.5	Confident	111 Å²	111	81.4 Å²	81.4	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-70.9	-19	175.8	-76.8	-0	0	0	0	113.4	S128 H129	S128-N131 PolarHBondContact O-N 3.36Å; H129-N131 VanDerWaalsContact C-N 3.26Å; H129-N131 PolarHBondContact O-N 3.38Å
132	R	80.9	Confident	72.4	Confident	43 Å²	43	77.6 Å²	77.6	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-84.2	-27.3	178.5	-71.6	-173.1	-48.7	-144.4	11.2	112.1	A111 D115 S128 H129 E130 F134 Q135	A111-R132 HydrophobicContact CB-CB 3.93Å; A111-R132 HydrophobicContact CB-CG 4.36Å; A111-R132 WeakPolarHBondContact CB-O 3.44Å; D115-R132 IonicContact OD1-CZ 2.76Å; D115-R132 IonicContact OD1-NE 3.77Å; D115-R132 IonicContact OD1-NH2 3.74Å; D115-R132 IonicContact OD2-CZ 3.7Å; D115-R132 IonicContact OD2-NE 3.32Å; D115-R132 PolarHBondContact OD2-NE 2.82Å; D115-R132 IonicContact OD2-NH2 3.72Å; D115-R132 PolarHBondContact OD2-NH2 2.78Å; S128-R132 WeakPolarHBondContact O-CG 3.47Å; S128-R132 PolarHBondContact O-N 3.43Å; H129-R132 PolarHBondContact CD2-NH2 2.97Å; H129-R132 VanDerWaalsContact CD2-NH2 3.32Å; H129-R132 PolarHBondContact O-N 2.92Å; E130-R132 PolarHBondContact O-N 2.95Å; R132-F134 VanDerWaalsContact C-N 3.27Å; R132-F134 PolarHBondContact O-N 3.36Å; R132-Q135 PolarHBondContact O-N 3.43Å; R132-Q135 VanDerWaalsContact O-N 3.14Å
133	E	85.7	Confident	74.5	Confident	87 Å²	87	77.6 Å²	77.6	41%	0.407	40%	0.398	S	S	.	.	H	α-helix	trans	-57	-43.2	-178.5	-175.4	173.1	-172.4	0	0	112.2	M69 A112 H129 E130	M69-E133 WeakPolarHBondContact CE-O 3.44Å; A112-E133 HydrophobicContact CB-CG 4.48Å; H129-E133 PolarHBondContact O-N 3.04Å; E130-E133 PolarHBondContact O-N 2.79Å
134	F	91.9	Very high	76.6	Confident	30 Å²	30	70.6 Å²	70.6	13%	0.132	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	15	-178.3	-53.1	-70.6	0	0	0	113.7	R53 H54 Q67 M69 D70 R132	R53-F134 HydrophobicContact CB-CD1 3.94Å; R53-F134 HydrophobicContact CB-CE1 3.49Å; R53-F134 VanDerWaalsContact CB-CE1 3.49Å; R53-F134 HydrophobicContact CB-CE2 4.33Å; R53-F134 HydrophobicContact CB-CZ 3.71Å; R53-F134 HydrophobicContact CG-CD1 4.01Å; R53-F134 HydrophobicContact CG-CD2 4.07Å; R53-F134 HydrophobicContact CG-CE1 3.88Å; R53-F134 HydrophobicContact CG-CE2 3.93Å; R53-F134 HydrophobicContact CG-CG 4.11Å; R53-F134 HydrophobicContact CG-CZ 3.84Å; H54-F134 AromaticContact CE1-CE1 3.94Å; Q67-F134 HydrophobicContact CG-CD1 4.21Å; Q67-F134 HydrophobicContact CG-CE1 4.25Å; M69-F134 CarbonylContact C-O 3.53Å; M69-F134 WeakPolarHBondContact CA-O 3.46Å; M69-F134 WeakPolarHBondContact CE-O 3.35Å; M69-F134 HydrophobicContact SD-CD1 4.48Å; D70-F134 PolarHBondContact N-O 3.18Å; R132-F134 VanDerWaalsContact C-N 3.27Å; R132-F134 PolarHBondContact O-N 3.36Å
135	Q	92.8	Very high	79	Confident	66 Å²	66	70.4 Å²	70.4	31%	0.308	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-92.3	125.1	178.6	-178.4	172	74.9	0	0	111.7	T110 A111 R132 L148	T110-Q135 WeakPolarHBondContact CA-O 3.35Å; A111-Q135 HydrophobicContact CB-CB 4.19Å; A111-Q135 PolarHBondContact N-O 2.78Å; R132-Q135 PolarHBondContact O-N 3.43Å; R132-Q135 VanDerWaalsContact O-N 3.14Å; Q135-L148 HydrophobicContact CG-CD2 4.18Å
136	F	94	Very high	81.2	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.035	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-90.3	139.3	171.6	-159.4	-115.2	0	0	0	111.2	R20 M69 D70 L71 P72 I97 G109 T110 H138	R20-F136 VanDerWaalsContact NH1-CZ 3.34Å; M69-F136 HydrophobicContact CB-CB 4.23Å; D70-F136 VanDerWaalsContact O-CB 3.28Å; D70-F136 WeakPolarHBondContact O-CB 3.36Å; D70-F136 PolarHBondContact O-N 3.21Å; L71-F136 HydrophobicContact CD2-CD1 3.84Å; L71-F136 HydrophobicContact CD2-CG 4.46Å; P72-F136 WeakPolarHBondContact CD-O 3.2Å; I97-F136 HydrophobicContact CD1-CD2 4.12Å; I97-F136 HydrophobicContact CD1-CE2 3.93Å; G109-F136 WeakPolarHBondContact O-CD2 3.28Å; T110-F136 HydrophobicContact CG2-CD2 4.19Å; F136-H138 HydrophobicContact CD1-CB 4.36Å; F136-H138 WeakPolarHBondContact CD1-O 3.24Å; F136-H138 HydrophobicContact CE1-CB 3.8Å; F136-H138 AromaticContact CE1-CD2 3.9Å; F136-H138 WeakPolarHBondContact CE1-O 3.37Å; F136-H138 HydrophobicContact CZ-CB 4.42Å; F136-H138 AromaticContact CZ-CD2 3.63Å
137	L	92.7	Very high	83.5	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.299	C	S	.	.			trans	-88.7	-21	-171.9	-61.4	178.8	0	0	0	114.1	G109 A111 L114 V147 L148	G109-L137 WeakPolarHBondContact O-CB 3.43Å; G109-L137 WeakPolarHBondContact O-CG 3.48Å; G109-L137 PolarHBondContact O-N 2.9Å; A111-L137 HydrophobicContact CB-CD2 3.98Å; L114-L137 HydrophobicContact CD1-CD1 3.5Å; L114-L137 HydrophobicContact CG-CD1 3.95Å; L137-V147 PolarHBondContact O-N 3.36Å; L137-L148 HydrophobicContact CD2-CD2 4.06Å
138	H	94	Very high	85.4	Confident	25 Å²	25	54.5 Å²	54.5	12%	0.116	29%	0.286	C	S	.	.	S	Bend	trans	-113.5	153.2	-169.5	-36.3	-55.5	0	0	0	112.1	P72 G109 F136 N146 D229	P72-H138 WeakPolarHBondContact CD-O 3.4Å; P72-H138 WeakPolarHBondContact CG-O 3.47Å; G109-H138 WeakPolarHBondContact CA-NE2 3.43Å; F136-H138 HydrophobicContact CD1-CB 4.36Å; F136-H138 WeakPolarHBondContact CD1-O 3.24Å; F136-H138 HydrophobicContact CE1-CB 3.8Å; F136-H138 AromaticContact CE1-CD2 3.9Å; F136-H138 WeakPolarHBondContact CE1-O 3.37Å; F136-H138 HydrophobicContact CZ-CB 4.42Å; F136-H138 AromaticContact CZ-CD2 3.63Å; H138-N146 PolarHBondContact CE1-OD1 3.36Å; H138-N146 PolarHBondContact ND1-N 2.77Å; H138-N146 PolarHBondContact ND1-OD1 3.35Å; H138-D229 IonicContact CE1-OD1 2.69Å; H138-D229 PolarHBondContact CE1-OD1 2.91Å; H138-D229 IonicContact NE2-OD1 3.68Å
139	G	95.2	Very high	86.8	Confident	8 Å²	8	55.8 Å²	55.8	8%	0.082	29%	0.287	C	S	.	.			trans	-75.3	169	161	0	0	0	0	0	111.4	L144	G139-L144 PolarHBondContact N-O 2.85Å
140	I	95	Very high	88.5	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.277	29%	0.294	S	S	.	.	S	Bend	trans	-69.3	-37.2	178.9	-55.4	-57.6	0	0	0	111.7	L71 I75 M95	L71-I140 HydrophobicContact CD1-CD1 3.89Å; L71-I140 HydrophobicContact CD1-CG1 4.2Å; L71-I140 HydrophobicContact CD2-CD1 3.65Å; L71-I140 HydrophobicContact CG-CD1 4.45Å; I75-I140 HydrophobicContact CD1-CB 4.38Å; I75-I140 HydrophobicContact CD1-CG1 3.44Å; I75-I140 VanDerWaalsContact CD1-CG1 3.44Å; M95-I140 HydrophobicContact CE-CD1 3.03Å; M95-I140 HydrophobicContact CE-CG1 4.5Å
141	T	95.6	Very high	90.3	Very high	62 Å²	62	58 Å²	58	38%	0.38	29%	0.286	S	S	.	.	S	Bend	trans	-86.9	145.7	-175.8	58.8	0	0	0	0	111.5	P143 L144	T141-P143 VanDerWaalsContact C-CD 3.46Å; T141-L144 WeakPolarHBondContact O-CA 3.17Å; T141-L144 WeakPolarHBondContact O-CB 3.28Å; T141-L144 PolarHBondContact O-N 2.91Å; T141-L144 WeakPolarHBondContact OG1-CD1 3.09Å; T141-L144 WeakPolarHBondContact OG1-CG 3.29Å
142	P	95.7	Very high	91.7	Very high	112 Å²	112	56.8 Å²	56.8	73%	0.727	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-52.7	-41.8	-174.9	-25.2	31.7	0	0	0	115.2	L144 K145	P142-L144 PolarHBondContact O-N 3.22Å; P142-K145 WeakPolarHBondContact O-CB 3.47Å; P142-K145 PolarHBondContact O-N 2.74Å; P142-K145 VanDerWaalsContact O-N 3.07Å
143	P	96.7	Very high	92.2	Very high	77 Å²	77	64.2 Å²	64.2	50%	0.5	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.6	-16.5	178.7	-24.2	36	0	0	0	114.5	T141 R150 R151	T141-P143 VanDerWaalsContact C-CD 3.46Å; P143-R150 PolarHBondContact O-NH2 3.17Å; P143-R151 VanDerWaalsContact O-CZ 3.27Å; P143-R151 PolarHBondContact O-NE 2.83Å; P143-R151 PolarHBondContact O-NH2 3.39Å
144	L	95.7	Very high	92.3	Very high	49 Å²	49	66.9 Å²	66.9	26%	0.257	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-98.1	16.8	178.7	-58.6	-179.6	0	0	0	112.6	G139 T141 P142 N146 V147	G139-L144 PolarHBondContact N-O 2.85Å; T141-L144 WeakPolarHBondContact O-CA 3.17Å; T141-L144 WeakPolarHBondContact O-CB 3.28Å; T141-L144 PolarHBondContact O-N 2.91Å; T141-L144 WeakPolarHBondContact OG1-CD1 3.09Å; T141-L144 WeakPolarHBondContact OG1-CG 3.29Å; P142-L144 PolarHBondContact O-N 3.22Å; L144-N146 PolarHBondContact O-N 3.48Å; L144-V147 HydrophobicContact CB-CB 4.23Å; L144-V147 HydrophobicContact CD2-CG2 4.03Å; L144-V147 VanDerWaalsContact O-CB 3.32Å; L144-V147 WeakPolarHBondContact O-CB 3.39Å; L144-V147 PolarHBondContact O-N 2.77Å
145	K	93.5	Very high	91.6	Very high	94 Å²	94	70.5 Å²	70.5	41%	0.409	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	131	165.9	-166.1	176.1	-169.5	-179.8	0	110.4	P142 V147 R150 A228	P142-K145 WeakPolarHBondContact O-CB 3.47Å; P142-K145 PolarHBondContact O-N 2.74Å; P142-K145 VanDerWaalsContact O-N 3.07Å; K145-V147 PolarHBondContact O-N 2.9Å; K145-R150 PolarHBondContact O-NE 3.16Å; K145-R150 PolarHBondContact O-NH2 3.26Å; K145-A228 HydrophobicContact CD-CB 4.14Å; K145-A228 VanDerWaalsContact NZ-CB 3.32Å
146	N	89.6	Confident	90.5	Very high	11 Å²	11	78.2 Å²	78.2	6%	0.059	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	35	-176.8	-69.3	-23.9	0	0	0	114.2	H138 L144 L148 H149 R150 A228	H138-N146 PolarHBondContact CE1-OD1 3.36Å; H138-N146 PolarHBondContact ND1-N 2.77Å; H138-N146 PolarHBondContact ND1-OD1 3.35Å; L144-N146 PolarHBondContact O-N 3.48Å; N146-L148 PolarHBondContact O-N 3.46Å; N146-H149 PolarHBondContact O-N 3.37Å; N146-R150 WeakPolarHBondContact O-CB 3.45Å; N146-R150 PolarHBondContact O-N 3.47Å; N146-A228 PolarHBondContact ND2-O 3.27Å; N146-A228 VanDerWaalsContact ND2-O 3.12Å
147	V	93	Very high	89.1	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.006	39%	0.394	C	S	.	.	H	α-helix	trans	-55.9	-37.1	-176	67.5	0	0	0	0	113	P72 L137 L144 K145 H149 R151 F152	P72-V147 HydrophobicContact CB-CG1 3.74Å; P72-V147 HydrophobicContact CG-CG1 3.35Å; L137-V147 PolarHBondContact O-N 3.36Å; L144-V147 HydrophobicContact CB-CB 4.23Å; L144-V147 HydrophobicContact CD2-CG2 4.03Å; L144-V147 VanDerWaalsContact O-CB 3.32Å; L144-V147 WeakPolarHBondContact O-CB 3.39Å; L144-V147 PolarHBondContact O-N 2.77Å; K145-V147 PolarHBondContact O-N 2.9Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.62Å; V147-R151 HydrophobicContact CG2-CB 3.86Å; V147-R151 PolarHBondContact O-N 3.29Å; V147-F152 HydrophobicContact CG1-CE2 4.45Å; V147-F152 HydrophobicContact CG1-CZ 4.27Å; V147-F152 HydrophobicContact CG2-CD1 3.59Å; V147-F152 HydrophobicContact CG2-CE1 3.31Å; V147-F152 HydrophobicContact CG2-CE2 4.48Å; V147-F152 HydrophobicContact CG2-CG 4.3Å; V147-F152 HydrophobicContact CG2-CZ 3.81Å; V147-F152 PolarHBondContact O-N 2.84Å
148	L	86.6	Confident	87.6	Confident	44 Å²	44	93.7 Å²	93.7	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-39.1	-177.8	-172.2	64.6	0	0	0	112.4	P72 Q135 L137 N146 F152	P72-L148 HydrophobicContact CB-CB 4.49Å; Q135-L148 HydrophobicContact CG-CD2 4.18Å; L137-L148 HydrophobicContact CD2-CD2 4.06Å; N146-L148 PolarHBondContact O-N 3.46Å; L148-F152 HydrophobicContact CD1-CD2 4.01Å
149	H	83.8	Confident	86	Confident	65 Å²	65	102.8 Å²	102.8	30%	0.301	46%	0.461	S	S	.	.	H	α-helix	trans	-94.4	-36.7	-178.9	-64.4	115.6	0	0	0	112.8	N146 V147	N146-H149 PolarHBondContact O-N 3.37Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.62Å
150	R	90.3	Very high	84.3	Confident	134 Å²	134	109.6 Å²	109.6	51%	0.506	49%	0.488	S	S	.	.	H	α-helix	trans	-93.9	-34.3	-168.7	-171.9	178.1	59.1	89.1	-2.2	114.9	P143 K145 N146	P143-R150 PolarHBondContact O-NH2 3.17Å; K145-R150 PolarHBondContact O-NE 3.16Å; K145-R150 PolarHBondContact O-NH2 3.26Å; N146-R150 WeakPolarHBondContact O-CB 3.45Å; N146-R150 PolarHBondContact O-N 3.47Å
151	R	92	Very high	82.8	Confident	136 Å²	136	112.2 Å²	112.2	51%	0.513	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-30.7	-170.6	-69.9	-173	-179.7	-91.8	3.2	113.3	P143 V147 R153	P143-R151 VanDerWaalsContact O-CZ 3.27Å; P143-R151 PolarHBondContact O-NE 2.83Å; P143-R151 PolarHBondContact O-NH2 3.39Å; V147-R151 HydrophobicContact CG2-CB 3.86Å; V147-R151 PolarHBondContact O-N 3.29Å; R151-R153 PolarHBondContact O-N 3.16Å
152	F	91.7	Very high	81.6	Confident	84 Å²	84	112 Å²	112	37%	0.368	50%	0.503	S	S	.	.	S	Bend	trans	-76.3	119	178.8	-73.6	-1.8	0	0	0	110.4	P72 V147 L148 K154	P72-F152 HydrophobicContact CB-CE2 3.87Å; P72-F152 HydrophobicContact CB-CZ 4.43Å; P72-F152 WeakPolarHBondContact O-CE2 3.48Å; P72-F152 WeakPolarHBondContact O-CZ 3.42Å; V147-F152 HydrophobicContact CG1-CE2 4.45Å; V147-F152 HydrophobicContact CG1-CZ 4.27Å; V147-F152 HydrophobicContact CG2-CD1 3.59Å; V147-F152 HydrophobicContact CG2-CE1 3.31Å; V147-F152 HydrophobicContact CG2-CE2 4.48Å; V147-F152 HydrophobicContact CG2-CG 4.3Å; V147-F152 HydrophobicContact CG2-CZ 3.81Å; V147-F152 PolarHBondContact O-N 2.84Å; L148-F152 HydrophobicContact CD1-CD2 4.01Å; F152-K154 PolarHBondContact O-N 3.27Å; F152-K154 VanDerWaalsContact O-N 3.16Å
153	R	91.8	Very high	80.6	Confident	199 Å²	199	109.2 Å²	109.2	75%	0.751	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-64.1	116.8	171.6	-176.2	-176.7	60.8	70.3	0.9	108.9	R151 T155	R151-R153 PolarHBondContact O-N 3.16Å; R153-T155 PolarHBondContact O-N 3.01Å
154	K	85.9	Confident	79.9	Confident	144 Å²	144	109.8 Å²	109.8	63%	0.626	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-55.8	128	174.5	-65.9	-179	-177.2	174.1	0	109.7	F152	F152-K154 PolarHBondContact O-N 3.27Å; F152-K154 VanDerWaalsContact O-N 3.16Å
155	T	77.6	Confident	79	Confident	105 Å²	105	113.8 Å²	113.8	64%	0.644	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-81.7	124.6	176.7	-67.1	0	0	0	0	108.3	R153 R157	R153-T155 PolarHBondContact O-N 3.01Å; T155-R157 PolarHBondContact O-N 2.69Å
156	R	70.3	Confident	78.5	Confident	228 Å²	228	113.2 Å²	113.2	86%	0.86	50%	0.5	S	S	*	.			trans	-60	112	165.6	-166.7	178.5	82.1	174.1	5.1	106.9	K158	R156-K158 PolarHBondContact O-N 2.81Å
157	R	64.4	Low	78.3	Confident	174 Å²	174	116.9 Å²	116.9	66%	0.657	52%	0.517	S	S	*	.			trans	-50.1	115.6	179.5	-72.9	-173.8	169	129.3	-0.5	108.2	T155 R159 D162	T155-R157 PolarHBondContact O-N 2.69Å; R157-R159 PolarHBondContact O-N 3.24Å; R157-D162 WeakPolarHBondContact CD-OD2 3.36Å; R157-D162 IonicContact NE-OD2 3.96Å; R157-D162 PolarHBondContact NE-OD2 2.84Å
158	K	61.3	Low	78.2	Confident	162 Å²	162	124.1 Å²	124.1	70%	0.704	55%	0.549	S	S	*	.			trans	-64.4	132.9	162.5	-76.5	-175.7	179.3	177.8	0	104.7	R156 F160 V161	R156-K158 PolarHBondContact O-N 2.81Å; K158-F160 PolarHBondContact O-N 2.94Å; K158-V161 PolarHBondContact O-N 3.17Å; K158-V161 VanDerWaalsContact O-N 3.15Å
159	R	60.7	Low	78.2	Confident	216 Å²	216	126.8 Å²	126.8	82%	0.815	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-14.7	-177.7	-67.4	-164.4	-85.2	-147.8	-0.1	114.1	R157 M163	R157-R159 PolarHBondContact O-N 3.24Å; R159-M163 HydrophobicContact CB-CE 4.4Å; R159-M163 WeakPolarHBondContact O-CB 3.48Å; R159-M163 WeakPolarHBondContact O-CE 3.49Å
160	F	60	Low	78.5	Confident	151 Å²	151	127 Å²	127	66%	0.662	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-22.2	-176.1	-57.9	-70.9	0	0	0	116.8	K158 M163 P164	K158-F160 PolarHBondContact O-N 2.94Å; F160-M163 HydrophobicContact CD1-CE 4.03Å; F160-M163 HydrophobicContact CE1-CE 4.12Å; F160-M163 VanDerWaalsContact O-CB 3.32Å; F160-M163 WeakPolarHBondContact O-CB 3.33Å; F160-M163 PolarHBondContact O-N 2.86Å; F160-P164 WeakPolarHBondContact O-CD 3.47Å
161	V	63.7	Low	78.6	Confident	109 Å²	109	125.6 Å²	125.6	66%	0.661	56%	0.563	S	S	*	*	S	Bend	trans	-66.8	-45.9	-172.9	177	0	0	0	0	111.6	K158 M163	K158-V161 PolarHBondContact O-N 3.17Å; K158-V161 VanDerWaalsContact O-N 3.15Å; V161-M163 VanDerWaalsContact C-N 3.33Å
162	D	68.9	Low	78.7	Confident	58 Å²	58	125.1 Å²	125.1	31%	0.31	57%	0.567	S	S	.	*	S	Bend	trans	-89.7	-3.2	177	-58.5	-45.2	0	0	0	112.1	R157 K165 I166	R157-D162 WeakPolarHBondContact CD-OD2 3.36Å; R157-D162 IonicContact NE-OD2 3.96Å; R157-D162 PolarHBondContact NE-OD2 2.84Å; D162-K165 PolarHBondContact O-N 2.81Å; D162-K165 VanDerWaalsContact O-N 3.12Å; D162-I166 HydrophobicContact CB-CD1 3.69Å; D162-I166 HydrophobicContact CB-CG1 4.22Å; D162-I166 VanDerWaalsContact O-CG1 3.29Å; D162-I166 WeakPolarHBondContact O-CG1 3.32Å; D162-I166 PolarHBondContact O-N 3.45Å
163	M	75.4	Confident	78.8	Confident	52 Å²	52	125.9 Å²	125.9	26%	0.256	57%	0.574	S	S	.	*	H	α-helix	trans	-56.8	-42.1	-173.6	-167	75.8	93.4	0	0	113.6	R159 F160 V161 K165 I166 E167	R159-M163 HydrophobicContact CB-CE 4.4Å; R159-M163 WeakPolarHBondContact O-CB 3.48Å; R159-M163 WeakPolarHBondContact O-CE 3.49Å; F160-M163 HydrophobicContact CD1-CE 4.03Å; F160-M163 HydrophobicContact CE1-CE 4.12Å; F160-M163 VanDerWaalsContact O-CB 3.32Å; F160-M163 WeakPolarHBondContact O-CB 3.33Å; F160-M163 PolarHBondContact O-N 2.86Å; V161-M163 VanDerWaalsContact C-N 3.33Å; M163-K165 VanDerWaalsContact C-N 3.29Å; M163-K165 PolarHBondContact O-N 2.88Å; M163-I166 PolarHBondContact O-N 3.31Å; M163-E167 HydrophobicContact CG-CG 3.94Å; M163-E167 VanDerWaalsContact CG-OE1 3.22Å; M163-E167 WeakPolarHBondContact CG-OE1 3.47Å; M163-E167 WeakPolarHBondContact O-CB 3.45Å; M163-E167 VanDerWaalsContact O-CG 3.25Å; M163-E167 WeakPolarHBondContact O-CG 3.37Å; M163-E167 PolarHBondContact O-N 2.98Å; M163-E167 HydrophobicContact SD-CG 4.32Å
164	P	81.2	Confident	78.9	Confident	90 Å²	90	121.1 Å²	121.1	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-36.9	179	-24	35	0	0	0	113	F160 K168	F160-P164 WeakPolarHBondContact O-CD 3.47Å; P164-K168 WeakPolarHBondContact O-CB 3.46Å; P164-K168 PolarHBondContact O-N 2.99Å; P164-K168 VanDerWaalsContact O-N 3.13Å
165	K	77.7	Confident	79.3	Confident	132 Å²	132	121.4 Å²	121.4	57%	0.574	56%	0.56	S	S	*	*	H	α-helix	trans	-72.9	-47.5	177.4	-66.3	-177.2	179.7	-177.6	0	110.5	D162 M163 E167 K168 E169	D162-K165 PolarHBondContact O-N 2.81Å; D162-K165 VanDerWaalsContact O-N 3.12Å; M163-K165 VanDerWaalsContact C-N 3.29Å; M163-K165 PolarHBondContact O-N 2.88Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 PolarHBondContact O-N 3.47Å; K165-K168 WeakPolarHBondContact O-CB 3.4Å; K165-K168 PolarHBondContact O-N 3.03Å; K165-E169 PolarHBondContact O-N 3.26Å
166	I	82.4	Confident	80	Confident	82 Å²	82	118.9 Å²	118.9	42%	0.421	55%	0.55	S	S	.	.	H	α-helix	trans	-59	-45.6	176.5	-65.4	166.9	0	0	0	110.3	D162 M163 K168 E169 V170	D162-I166 HydrophobicContact CB-CD1 3.69Å; D162-I166 HydrophobicContact CB-CG1 4.22Å; D162-I166 VanDerWaalsContact O-CG1 3.29Å; D162-I166 WeakPolarHBondContact O-CG1 3.32Å; D162-I166 PolarHBondContact O-N 3.45Å; M163-I166 PolarHBondContact O-N 3.31Å; I166-K168 PolarHBondContact O-N 3.27Å; I166-E169 PolarHBondContact O-N 3.48Å; I166-V170 HydrophobicContact CG2-CG2 4.01Å; I166-V170 VanDerWaalsContact O-CB 3.3Å; I166-V170 WeakPolarHBondContact O-CB 3.45Å; I166-V170 WeakPolarHBondContact O-CG2 3.5Å; I166-V170 PolarHBondContact O-N 3.07Å
167	E	85.7	Confident	81.3	Confident	88 Å²	88	111.3 Å²	111.3	41%	0.411	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-41.6	177.3	-80.4	-178.7	-159.5	0	0	112.4	M163 K165 E169 K171	M163-E167 HydrophobicContact CG-CG 3.94Å; M163-E167 VanDerWaalsContact CG-OE1 3.22Å; M163-E167 WeakPolarHBondContact CG-OE1 3.47Å; M163-E167 WeakPolarHBondContact O-CB 3.45Å; M163-E167 VanDerWaalsContact O-CG 3.25Å; M163-E167 WeakPolarHBondContact O-CG 3.37Å; M163-E167 PolarHBondContact O-N 2.98Å; M163-E167 HydrophobicContact SD-CG 4.32Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 PolarHBondContact O-N 3.47Å; E167-E169 VanDerWaalsContact C-N 3.33Å; E167-K171 VanDerWaalsContact O-CB 3.23Å; E167-K171 WeakPolarHBondContact O-CB 3.4Å; E167-K171 WeakPolarHBondContact O-CD 3.5Å; E167-K171 WeakPolarHBondContact O-CG 3.48Å; E167-K171 PolarHBondContact O-N 3.23Å; E167-K171 IonicContact OE2-NZ 3.69Å
168	K	90.3	Very high	82.6	Confident	154 Å²	154	110.2 Å²	110.2	67%	0.67	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-45.7	176.8	-177.3	-178.4	177.5	-176.9	0	110.5	P164 K165 I166 Q172	P164-K168 WeakPolarHBondContact O-CB 3.46Å; P164-K168 PolarHBondContact O-N 2.99Å; P164-K168 VanDerWaalsContact O-N 3.13Å; K165-K168 WeakPolarHBondContact O-CB 3.4Å; K165-K168 PolarHBondContact O-N 3.03Å; I166-K168 PolarHBondContact O-N 3.27Å; K168-Q172 WeakPolarHBondContact O-CB 3.49Å; K168-Q172 PolarHBondContact O-N 3.14Å
169	E	87.5	Confident	84.2	Confident	100 Å²	100	110.5 Å²	110.5	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-67.3	-46.8	178.4	-173.3	173.9	-176.3	0	0	111.9	K165 I166 E167 K171 Q172 L173	K165-E169 PolarHBondContact O-N 3.26Å; I166-E169 PolarHBondContact O-N 3.48Å; E167-E169 VanDerWaalsContact C-N 3.33Å; E169-K171 VanDerWaalsContact C-N 3.33Å; E169-K171 PolarHBondContact O-N 3.49Å; E169-Q172 CarbonylContact O-C 3.55Å; E169-Q172 WeakPolarHBondContact O-CA 3.29Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.33Å; E169-L173 HydrophobicContact CG-CD1 4.48Å; E169-L173 WeakPolarHBondContact O-CG 3.25Å; E169-L173 PolarHBondContact O-N 3.23Å
170	V	90.2	Very high	85.7	Confident	68 Å²	68	102.5 Å²	102.5	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-57.7	-45.4	174.7	170	0	0	0	0	110.6	I166 Q172 L173 L174	I166-V170 HydrophobicContact CG2-CG2 4.01Å; I166-V170 VanDerWaalsContact O-CB 3.3Å; I166-V170 WeakPolarHBondContact O-CB 3.45Å; I166-V170 WeakPolarHBondContact O-CG2 3.5Å; I166-V170 PolarHBondContact O-N 3.07Å; V170-Q172 VanDerWaalsContact C-N 3.28Å; V170-Q172 PolarHBondContact O-N 3.03Å; V170-L173 PolarHBondContact O-N 3.16Å; V170-L174 HydrophobicContact CG1-CD1 3.96Å; V170-L174 HydrophobicContact CG1-CG 4.38Å; V170-L174 WeakPolarHBondContact O-CB 3.21Å; V170-L174 VanDerWaalsContact O-CG 3.28Å; V170-L174 WeakPolarHBondContact O-CG 3.4Å; V170-L174 PolarHBondContact O-N 2.76Å
171	K	92	Very high	87.3	Confident	105 Å²	105	102.7 Å²	102.7	46%	0.457	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-36.6	174.9	-76.3	169	-178	164.3	0	111.9	E167 E169 R175	E167-K171 VanDerWaalsContact O-CB 3.23Å; E167-K171 WeakPolarHBondContact O-CB 3.4Å; E167-K171 WeakPolarHBondContact O-CD 3.5Å; E167-K171 WeakPolarHBondContact O-CG 3.48Å; E167-K171 PolarHBondContact O-N 3.23Å; E167-K171 IonicContact OE2-NZ 3.69Å; E169-K171 VanDerWaalsContact C-N 3.33Å; E169-K171 PolarHBondContact O-N 3.49Å; K171-R175 WeakPolarHBondContact O-CB 3.16Å; K171-R175 VanDerWaalsContact O-CG 3.29Å; K171-R175 WeakPolarHBondContact O-CG 3.3Å; K171-R175 PolarHBondContact O-N 3.43Å
172	Q	93.4	Very high	88.7	Confident	127 Å²	127	104.3 Å²	104.3	59%	0.593	54%	0.535	S	S	*	.	H	α-helix	trans	-68	-44.9	176.3	-178.4	174.7	-1.8	0	0	111.8	K168 E169 V170 R175 A176	K168-Q172 WeakPolarHBondContact O-CB 3.49Å; K168-Q172 PolarHBondContact O-N 3.14Å; E169-Q172 CarbonylContact O-C 3.55Å; E169-Q172 WeakPolarHBondContact O-CA 3.29Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.33Å; V170-Q172 VanDerWaalsContact C-N 3.28Å; V170-Q172 PolarHBondContact O-N 3.03Å; Q172-R175 PolarHBondContact O-N 3.35Å; Q172-A176 PolarHBondContact O-N 3.21Å
173	L	93.7	Very high	89.8	Confident	100 Å²	100	104.4 Å²	104.4	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-59.5	-47.6	174.9	-70	172.4	0	0	0	111	E169 V170 R175 A176 D177	E169-L173 HydrophobicContact CG-CD1 4.48Å; E169-L173 WeakPolarHBondContact O-CG 3.25Å; E169-L173 PolarHBondContact O-N 3.23Å; V170-L173 PolarHBondContact O-N 3.16Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-R175 PolarHBondContact O-N 3.27Å; L173-A176 WeakPolarHBondContact O-CB 3.17Å; L173-A176 PolarHBondContact O-N 2.86Å; L173-A176 VanDerWaalsContact O-N 3.12Å; L173-D177 WeakPolarHBondContact O-CB 3.23Å; L173-D177 PolarHBondContact O-N 2.98Å
174	L	94.1	Very high	90.6	Very high	98 Å²	98	109.6 Å²	109.6	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-36.6	177.4	-69.1	174.3	0	0	0	112.8	V170 D177 L178	V170-L174 HydrophobicContact CG1-CD1 3.96Å; V170-L174 HydrophobicContact CG1-CG 4.38Å; V170-L174 WeakPolarHBondContact O-CB 3.21Å; V170-L174 VanDerWaalsContact O-CG 3.28Å; V170-L174 WeakPolarHBondContact O-CG 3.4Å; V170-L174 PolarHBondContact O-N 2.76Å; L174-D177 PolarHBondContact O-N 3.08Å; L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 VanDerWaalsContact O-CG 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.28Å; L174-L178 PolarHBondContact O-N 2.99Å
175	R	94.4	Very high	91.1	Very high	150 Å²	150	113.9 Å²	113.9	57%	0.566	56%	0.563	S	S	*	*	H	α-helix	trans	-66.3	-40.2	173.3	-77	-177.8	-168.8	112.6	-6.7	112	K171 Q172 L173 L178 Q179	K171-R175 WeakPolarHBondContact O-CB 3.16Å; K171-R175 VanDerWaalsContact O-CG 3.29Å; K171-R175 WeakPolarHBondContact O-CG 3.3Å; K171-R175 PolarHBondContact O-N 3.43Å; Q172-R175 PolarHBondContact O-N 3.35Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-R175 PolarHBondContact O-N 3.27Å; R175-L178 PolarHBondContact O-N 3.01Å; R175-Q179 WeakPolarHBondContact O-CG 3.36Å; R175-Q179 PolarHBondContact O-N 3.32Å
176	A	93.8	Very high	91.6	Very high	52 Å²	52	113.4 Å²	113.4	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-42.1	176	0	0	0	0	0	111.1	Q172 L173 L178 Q179 A180	Q172-A176 PolarHBondContact O-N 3.21Å; L173-A176 WeakPolarHBondContact O-CB 3.17Å; L173-A176 PolarHBondContact O-N 2.86Å; L173-A176 VanDerWaalsContact O-N 3.12Å; A176-L178 PolarHBondContact O-N 3.31Å; A176-Q179 PolarHBondContact O-N 3.42Å; A176-Q179 VanDerWaalsContact O-N 3.16Å; A176-A180 PolarHBondContact O-N 3.28Å; A176-A180 VanDerWaalsContact O-N 3.09Å
177	D	95.7	Very high	91.9	Very high	69 Å²	69	113.7 Å²	113.7	37%	0.369	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-41.8	175.6	-77	-4.2	0	0	0	111.9	L173 L174 Q179 A180 V183	L173-D177 WeakPolarHBondContact O-CB 3.23Å; L173-D177 PolarHBondContact O-N 2.98Å; L174-D177 PolarHBondContact O-N 3.08Å; D177-Q179 VanDerWaalsContact C-N 3.27Å; D177-Q179 PolarHBondContact O-N 2.72Å; D177-A180 WeakPolarHBondContact O-CB 3.46Å; D177-A180 PolarHBondContact O-N 3.01Å; D177-A180 VanDerWaalsContact O-N 3.15Å; D177-V183 HydrophobicContact CB-CG1 4.18Å; D177-V183 HydrophobicContact CB-CG2 3.79Å; D177-V183 WeakPolarHBondContact O-CG2 3.45Å
178	L	92.5	Very high	91.8	Very high	152 Å²	152	115.9 Å²	115.9	80%	0.796	58%	0.582	S	S	*	*	H	α-helix	trans	-65.3	-27.8	175.5	-76.2	171.1	0	0	0	113.6	L174 R175 A176	L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 VanDerWaalsContact O-CG 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.28Å; L174-L178 PolarHBondContact O-N 2.99Å; R175-L178 PolarHBondContact O-N 3.01Å; A176-L178 PolarHBondContact O-N 3.31Å
179	Q	94.1	Very high	91.5	Very high	167 Å²	167	117.1 Å²	117.1	78%	0.78	58%	0.582	S	S	*	*	H	α-helix	trans	-83.5	-17.1	175.8	-68.6	173.6	16	0	0	112.4	R175 A176 D177	R175-Q179 WeakPolarHBondContact O-CG 3.36Å; R175-Q179 PolarHBondContact O-N 3.32Å; A176-Q179 PolarHBondContact O-N 3.42Å; A176-Q179 VanDerWaalsContact O-N 3.16Å; D177-Q179 VanDerWaalsContact C-N 3.27Å; D177-Q179 PolarHBondContact O-N 2.72Å
180	A	93.8	Very high	90.7	Very high	48 Å²	48	119 Å²	119	40%	0.397	60%	0.601	S	S	.	*	S	Bend	trans	-79.2	149	-179.3	0	0	0	0	0	111.9	A176 D177 V183	A176-A180 PolarHBondContact O-N 3.28Å; A176-A180 VanDerWaalsContact O-N 3.09Å; D177-A180 WeakPolarHBondContact O-CB 3.46Å; D177-A180 PolarHBondContact O-N 3.01Å; D177-A180 VanDerWaalsContact O-N 3.15Å; A180-V183 HydrophobicContact CB-CG2 3.9Å
181	V	93.6	Very high	89.8	Confident	155 Å²	155	122.1 Å²	122.1	94%	0.939	62%	0.615	S	S	*	*	S	Bend	trans	-74	-31.7	176.8	178.5	0	0	0	0	111.7
182	N	92.4	Very high	88.3	Confident	143 Å²	143	122.4 Å²	122.4	77%	0.765	63%	0.628	S	S	*	*			trans	-149.9	139.5	178.5	-172.7	11.8	0	0	0	109
183	V	91.9	Very high	86.7	Confident	61 Å²	61	121.6 Å²	121.6	37%	0.37	63%	0.634	S	S	.	*			trans	-127.1	128.1	-177.2	180	0	0	0	0	108.1	D177 A180	D177-V183 HydrophobicContact CB-CG1 4.18Å; D177-V183 HydrophobicContact CB-CG2 3.79Å; D177-V183 WeakPolarHBondContact O-CG2 3.45Å; A180-V183 HydrophobicContact CB-CG2 3.9Å
184	K	93.2	Very high	85.1	Confident	160 Å²	160	120.7 Å²	120.7	70%	0.696	64%	0.64	S	S	*	*			trans	-134.5	130.2	171.5	-174.9	-168.3	172.7	-146.5	0	107.9	E186	K184-E186 WeakPolarHBondContact CE-OE2 3.48Å; K184-E186 IonicContact NZ-OE2 2.72Å; K184-E186 PolarHBondContact NZ-OE2 3.24Å
185	W	91.6	Very high	83.4	Confident	180 Å²	180	121.5 Å²	121.5	68%	0.682	65%	0.652	S	S	*	*			trans	-122.5	149	170.6	63.1	-91.3	0	0	0	109.3	V187 F252	W185-V187 HydrophobicContact CZ3-CG2 4.16Å; W185-F252 HydrophobicContact CH2-CE2 4.45Å; W185-F252 AromaticContact CH2-CZ 3.92Å; W185-F252 HydrophobicContact CH2-CZ 3.92Å; W185-F252 HydrophobicContact CZ3-CZ 4.44Å
186	E	88.5	Confident	81.5	Confident	122 Å²	122	120.3 Å²	120.3	57%	0.57	66%	0.661	S	S	*	*			trans	-147.7	146.4	174	64.5	-167.1	-178.5	0	0	109.5	K184 I188	K184-E186 WeakPolarHBondContact CE-OE2 3.48Å; K184-E186 IonicContact NZ-OE2 2.72Å; K184-E186 PolarHBondContact NZ-OE2 3.24Å; E186-I188 HydrophobicContact CG-CD1 4.4Å; E186-I188 HydrophobicContact CG-CG1 4.04Å; E186-I188 PolarHBondContact O-N 3.32Å
187	V	87.5	Confident	79.4	Confident	89 Å²	89	125 Å²	125	54%	0.539	68%	0.677	S	S	.	*			trans	-85.3	111.7	176.2	-179.3	0	0	0	0	108	W185 W189	W185-V187 HydrophobicContact CZ3-CG2 4.16Å; V187-W189 HydrophobicContact CG1-CD2 4.36Å; V187-W189 HydrophobicContact CG1-CH2 4.38Å; V187-W189 HydrophobicContact CG1-CZ2 3.91Å
188	I	84.6	Confident	76.8	Confident	134 Å²	134	132.3 Å²	132.3	69%	0.687	70%	0.7	S	S	*	*			trans	-98.4	118.7	176.3	-55	175.8	0	0	0	107.7	E186	E186-I188 HydrophobicContact CG-CD1 4.4Å; E186-I188 HydrophobicContact CG-CG1 4.04Å; E186-I188 PolarHBondContact O-N 3.32Å
189	W	82.1	Confident	74.6	Confident	179 Å²	179	129.7 Å²	129.7	68%	0.678	69%	0.694	S	S	*	*			trans	-83.9	122.8	175.1	-56.1	96.6	0	0	0	109.2	V187 D191	V187-W189 HydrophobicContact CG1-CD2 4.36Å; V187-W189 HydrophobicContact CG1-CH2 4.38Å; V187-W189 HydrophobicContact CG1-CZ2 3.91Å; W189-D191 VanDerWaalsContact C-N 3.26Å; W189-D191 PolarHBondContact O-N 3.32Å
190	T	71.1	Confident	72	Confident	139 Å²	139	129 Å²	129	85%	0.853	70%	0.696	S	S	*	*	S	Bend	trans	-70.1	-26	-179	-20.8	0	0	0	0	112.4
191	D	71.5	Confident	69.6	Low	135 Å²	135	130.9 Å²	130.9	72%	0.722	71%	0.711	S	S	*	*	S	Bend	trans	-127.9	124.2	170	-70.3	-44.4	0	0	0	109.5	W189	W189-D191 VanDerWaalsContact C-N 3.26Å; W189-D191 PolarHBondContact O-N 3.32Å
192	P	61.9	Low	67.2	Low	110 Å²	110	130.5 Å²	130.5	71%	0.714	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-62.7	130.2	169.8	25.5	-30.2	0	0	0	108.1	A194	P192-A194 PolarHBondContact O-N 3.04Å
193	P	59	Low	64.8	Low	111 Å²	111	131.2 Å²	131.2	72%	0.721	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.6	128.3	178.5	21.8	-31.2	0	0	0	109
194	A	59.4	Low	62.6	Low	80 Å²	80	135.5 Å²	135.5	66%	0.661	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-50.8	135.9	175.6	0	0	0	0	0	109.2	P192 V196	P192-A194 PolarHBondContact O-N 3.04Å; A194-V196 PolarHBondContact O-N 3.38Å
195	P	58.7	Low	60.2	Low	116 Å²	116	138.2 Å²	138.2	75%	0.753	74%	0.74	S	S	*	*			trans	-58.8	115.2	-179.2	22.7	-31.6	0	0	0	108.7	I197	P195-I197 VanDerWaalsContact C-N 3.33Å; P195-I197 PolarHBondContact O-N 3.43Å
196	V	55	Low	57.8	Low	125 Å²	125	134.9 Å²	134.9	76%	0.758	74%	0.744	S	S	*	*			trans	-64.9	95.1	176.5	-151.7	0	0	0	0	107.3	A194 R198	A194-V196 PolarHBondContact O-N 3.38Å; V196-R198 VanDerWaalsContact C-N 3.27Å; V196-R198 PolarHBondContact O-N 3.44Å
197	I	48.7	Very low	55.4	Low	150 Å²	150	132.1 Å²	132.1	77%	0.769	75%	0.749	S	S	*	*			trans	-68	96.2	167.1	-60.3	178.1	0	0	0	105.4	P195 S199	P195-I197 VanDerWaalsContact C-N 3.33Å; P195-I197 PolarHBondContact O-N 3.43Å; I197-S199 PolarHBondContact O-N 3.31Å
198	R	43.1	Very low	53.1	Low	223 Å²	223	136.3 Å²	136.3	84%	0.842	77%	0.767	S	S	*	*			trans	-68.2	85.4	167.7	-59.9	-175	-148.1	-175.4	4.9	107.4	V196 N200	V196-R198 VanDerWaalsContact C-N 3.27Å; V196-R198 PolarHBondContact O-N 3.44Å; R198-N200 VanDerWaalsContact C-N 3.29Å; R198-N200 PolarHBondContact O-N 2.74Å
199	S	45.2	Very low	50.8	Low	96 Å²	96	135 Å²	135	67%	0.671	77%	0.77	S	S	*	*			trans	-68.6	96.2	162.8	51.8	0	0	0	0	107.4	I197 A201	I197-S199 PolarHBondContact O-N 3.31Å; S199-A201 PolarHBondContact O-N 3.15Å
200	N	39	Very low	48.6	Very low	154 Å²	154	134 Å²	134	82%	0.824	78%	0.778	S	S	*	*			trans	-59.8	79.4	156.3	-92.3	6.9	0	0	0	108	R198 N202	R198-N200 VanDerWaalsContact C-N 3.29Å; R198-N200 PolarHBondContact O-N 2.74Å; N200-N202 PolarHBondContact O-N 3.48Å
201	A	43.7	Very low	47.3	Very low	87 Å²	87	134.5 Å²	134.5	72%	0.719	78%	0.776	S	S	*	*			trans	-92.8	95.1	167	0	0	0	0	0	107	S199 N203	S199-A201 PolarHBondContact O-N 3.15Å; A201-N203 PolarHBondContact O-N 3.32Å
202	N	43.9	Very low	45.8	Very low	146 Å²	146	137 Å²	137	78%	0.781	78%	0.783	S	S	*	*			trans	-44.9	131	171.1	-81.4	-30	0	0	0	111.2	N200 N204	N200-N202 PolarHBondContact O-N 3.48Å; N202-N204 PolarHBondContact O-N 3.17Å; N202-N204 VanDerWaalsContact O-N 3.08Å
203	N	42	Very low	44.8	Very low	159 Å²	159	138 Å²	138	85%	0.85	79%	0.787	S	S	*	*			trans	-36.6	111.8	156.2	-80	-34.4	0	0	0	111	A201	A201-N203 PolarHBondContact O-N 3.32Å
204	N	45.6	Very low	43.8	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	79%	0.789	S	S	*	*			trans	-143.3	95.9	151.5	-89	-23.5	0	0	0	108.4	N202 S206	N202-N204 PolarHBondContact O-N 3.17Å; N202-N204 VanDerWaalsContact O-N 3.08Å; N204-S206 PolarHBondContact O-N 3.22Å
205	K	43.1	Very low	42.8	Very low	216 Å²	216	142.6 Å²	142.6	94%	0.939	80%	0.795	S	S	*	*			trans	-64.9	108.5	159	-85.8	179.3	171	177.2	0	108.7
206	S	41.5	Very low	41.9	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	79%	0.794	S	S	*	*			trans	-173.5	109	153.2	54.9	0	0	0	0	104.8	N204	N204-S206 PolarHBondContact O-N 3.22Å
207	G	36.5	Very low	41.1	Very low	65 Å²	65	143.1 Å²	143.1	67%	0.67	80%	0.795	S	S	*	*				110	115.7	70.9	0	0	0	0	0	106.9
208	L	39	Very low	40.6	Very low	176 Å²	176	142.6 Å²	142.6	92%	0.921	79%	0.794	S	S	*	*			trans	44.7	111.7	155.9	-59.1	105.1	0	0	0	118.6
209	S	36.2	Very low	40.6	Very low	106 Å²	106	138 Å²	138	74%	0.741	79%	0.79	S	S	*	*				177.8	124.1	114.3	62.4	0	0	0	0	110.4
210	N	37.6	Very low	40.2	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	80%	0.797	S	S	*	*			trans	-56	132.2	162.4	-65.9	-15.4	0	0	0	109.6
211	N	42.4	Very low	40.3	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	79%	0.794	S	S	*	*			trans	-145.5	106.8	151.8	-101.7	-23.9	0	0	0	107.1	T213	N211-T213 PolarHBondContact O-N 3.39Å
212	E	40	Very low	39.9	Very low	186 Å²	186	138.8 Å²	138.8	87%	0.869	79%	0.794	S	S	*	*			trans	-51.3	128	159.7	-66.7	167.6	131.5	0	0	108.8
213	T	41.3	Very low	39.5	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	80%	0.803	S	S	*	*			trans	-144.8	104.4	151.5	-43.1	0	0	0	0	107.3	N211	N211-T213 PolarHBondContact O-N 3.39Å
214	D	37.2	Very low	39.8	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	80%	0.801	S	S	*	*			trans	-49.2	131.3	165.9	-70.8	-46.7	0	0	0	110.6
215	N	40.2	Very low	39.9	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	80%	0.799	S	S	*	*			trans	-151.2	76.7	149.1	-144.7	14.3	0	0	0	109.6	N217	N215-N217 PolarHBondContact O-N 2.8Å
216	S	37.9	Very low	40	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	78%	0.784	S	S	*	*			trans	-78.3	103.2	171.6	-55.7	0	0	0	0	109.8	N218	S216-N218 PolarHBondContact O-N 3.48Å
217	N	39.7	Very low	40.7	Very low	144 Å²	144	136 Å²	136	77%	0.77	76%	0.76	S	S	*	*			trans	-83.9	100.8	163.5	-78.8	-29.5	0	0	0	109	N215 V219	N215-N217 PolarHBondContact O-N 2.8Å; N217-V219 PolarHBondContact O-N 2.86Å
218	N	38.2	Very low	41.6	Very low	140 Å²	140	134.2 Å²	134.2	75%	0.749	74%	0.738	S	S	*	*			trans	-69.5	107.9	175	-169	12.8	0	0	0	110	S216	S216-N218 PolarHBondContact O-N 3.48Å
219	V	41.6	Very low	42.5	Very low	125 Å²	125	126.2 Å²	126.2	76%	0.758	70%	0.697	S	S	*	*			trans	-99.6	103.6	165.4	176.9	0	0	0	0	107.8	N217 S221	N217-V219 PolarHBondContact O-N 2.86Å; V219-S221 PolarHBondContact O-N 2.91Å
220	Q	37.7	Very low	43.5	Very low	177 Å²	177	123 Å²	123	83%	0.827	67%	0.671	S	S	*	*			trans	-78.2	105.2	177	-166.1	167.7	-4.6	0	0	108.6
221	S	41.2	Very low	44.5	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	66%	0.657	S	S	*	*			trans	-133.1	131	171.8	-83.9	0	0	0	0	109.4	V219	V219-S221 PolarHBondContact O-N 2.91Å
222	G	35.6	Very low	45.1	Very low	71 Å²	71	115.5 Å²	115.5	73%	0.732	63%	0.627	S	S	*	*			trans	-61.5	159.5	-155.6	0	0	0	0	0	117.1	Q224	G222-Q224 PolarHBondContact O-N 2.71Å
223	N	35.9	Very low	45.6	Very low	180 Å²	180	111.6 Å²	111.6	96%	0.963	61%	0.609	S	S	*	*			trans	-55.9	84	169.1	-73.7	-2.7	0	0	0	110.6
224	Q	48.2	Very low	46	Very low	174 Å²	174	111 Å²	111	81%	0.813	60%	0.6	S	S	*	*			trans	-96.4	120.5	151	-66.7	-174.7	30.7	0	0	105.3	G222 R226	G222-Q224 PolarHBondContact O-N 2.71Å; Q224-R226 VanDerWaalsContact C-N 3.35Å; Q224-R226 PolarHBondContact O-N 3.04Å
225	Q	46.2	Very low	46.6	Very low	163 Å²	163	112.2 Å²	112.2	76%	0.762	60%	0.601	S	S	*	*			trans	-62.5	97.7	177.5	-167.6	151.5	-35.3	0	0	107.6	T227	Q225-T227 PolarHBondContact O-N 3.27Å
226	R	46.7	Very low	47.2	Very low	163 Å²	163	110.1 Å²	110.1	62%	0.615	59%	0.587	S	S	*	*			trans	-59.9	122	177.8	-68.1	-177.6	177.5	-126.8	-0.1	107.4	Q224 D230	Q224-R226 VanDerWaalsContact C-N 3.35Å; Q224-R226 PolarHBondContact O-N 3.04Å; R226-D230 HydrophobicContact CB-CB 4.26Å
227	T	55.6	Low	47.5	Very low	44 Å²	44	109.9 Å²	109.9	27%	0.27	58%	0.578	S	S	.	*			trans	-80.8	158.3	173	67.1	0	0	0	0	108.7	R108 Q225 D229 D230 E231	R108-T227 VanDerWaalsContact NH2-CG2 3.33Å; Q225-T227 PolarHBondContact O-N 3.27Å; T227-D229 PolarHBondContact O-N 2.88Å; T227-D230 PolarHBondContact N-OD2 2.8Å; T227-D230 WeakPolarHBondContact O-CA 3.47Å; T227-D230 VanDerWaalsContact O-CB 3.32Å; T227-D230 WeakPolarHBondContact O-CB 3.46Å; T227-D230 PolarHBondContact O-N 2.69Å; T227-D230 PolarHBondContact OG1-OD2 3.32Å; T227-E231 PolarHBondContact O-N 3.13Å
228	A	55.9	Low	47.7	Very low	26 Å²	26	111.5 Å²	111.5	22%	0.215	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-9.8	175.8	0	0	0	0	0	113.7	K145 N146	K145-A228 HydrophobicContact CD-CB 4.14Å; K145-A228 VanDerWaalsContact NZ-CB 3.32Å; N146-A228 PolarHBondContact ND2-O 3.27Å; N146-A228 VanDerWaalsContact ND2-O 3.12Å
229	D	57.1	Low	48.1	Very low	9 Å²	9	110.5 Å²	110.5	5%	0.048	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-28.7	171.3	-52.3	-33.6	0	0	0	110.8	R108 H138 T227 L232	R108-D229 IonicContact CZ-OD2 2.7Å; R108-D229 IonicContact NE-OD2 3.14Å; R108-D229 PolarHBondContact NE-OD2 2.71Å; R108-D229 IonicContact NH2-OD2 3.45Å; R108-D229 PolarHBondContact NH2-OD2 2.75Å; R108-D229 VanDerWaalsContact NH2-OD2 3.14Å; H138-D229 IonicContact CE1-OD1 2.69Å; H138-D229 PolarHBondContact CE1-OD1 2.91Å; H138-D229 IonicContact NE2-OD1 3.68Å; T227-D229 PolarHBondContact O-N 2.88Å; D229-L232 WeakPolarHBondContact O-CB 3.47Å; D229-L232 WeakPolarHBondContact O-CG 3.3Å
230	D	56.9	Low	48	Very low	37 Å²	37	108.3 Å²	108.3	20%	0.198	58%	0.577	C	S	.	*	G	3₁₀ helix	trans	-76.5	-26.6	176	-62.5	-56.8	0	0	0	113	R117 R226 T227 L232	R117-D230 IonicContact CZ-OD1 3.95Å; R117-D230 IonicContact NH1-OD1 3.47Å; R117-D230 PolarHBondContact NH1-OD1 3.12Å; R117-D230 IonicContact NH2-OD1 2.62Å; R117-D230 PolarHBondContact NH2-OD1 2.73Å; R226-D230 HydrophobicContact CB-CB 4.26Å; T227-D230 PolarHBondContact N-OD2 2.8Å; T227-D230 WeakPolarHBondContact O-CA 3.47Å; T227-D230 VanDerWaalsContact O-CB 3.32Å; T227-D230 WeakPolarHBondContact O-CB 3.46Å; T227-D230 PolarHBondContact O-N 2.69Å; T227-D230 PolarHBondContact OG1-OD2 3.32Å; D230-L232 PolarHBondContact O-N 3.35Å
231	E	58	Low	47.8	Very low	123 Å²	123	102.7 Å²	102.7	58%	0.575	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-70.6	-10.2	175.1	-65.2	-176.8	164.2	0	0	113.1	T227 E233	T227-E231 PolarHBondContact O-N 3.13Å; E231-E233 PolarHBondContact O-N 2.96Å
232	L	55.8	Low	47.4	Very low	30 Å²	30	106.9 Å²	106.9	16%	0.157	57%	0.567	C	S	.	*	G	3₁₀ helix	trans	-72.6	-15.6	178.3	-60.5	175.5	0	0	0	112.9	L114 D229 D230 D234	L114-L232 HydrophobicContact CD1-CD1 4.1Å; L114-L232 HydrophobicContact CD2-CD1 4.31Å; D229-L232 WeakPolarHBondContact O-CB 3.47Å; D229-L232 WeakPolarHBondContact O-CG 3.3Å; D230-L232 PolarHBondContact O-N 3.35Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 2.83Å
233	E	51.4	Low	47.5	Very low	104 Å²	104	107.9 Å²	107.9	49%	0.486	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-66.4	-27.2	-179.3	-65.8	-167.2	154.5	0	0	113.3	R117 E231	R117-E233 IonicContact CZ-OE1 3.58Å; R117-E233 IonicContact NE-OE1 3.24Å; R117-E233 PolarHBondContact NE-OE1 2.86Å; R117-E233 IonicContact NH1-OE1 2.81Å; R117-E233 PolarHBondContact NH1-OE1 2.91Å; R117-E233 IonicContact NH2-OE1 3.49Å; E231-E233 PolarHBondContact O-N 2.96Å
234	D	48	Very low	47.9	Very low	120 Å²	120	108 Å²	108	64%	0.642	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-87.3	-14.6	-169.7	-65.6	-38.7	0	0	0	113.5	L232	L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 2.83Å
235	E	51.2	Low	47.5	Very low	167 Å²	167	104.4 Å²	104.4	78%	0.78	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-10.8	-176.5	-67.4	-155.3	178.1	0	0	115.2	D237	E235-D237 PolarHBondContact O-N 2.96Å
236	E	51.3	Low	47.7	Very low	102 Å²	102	101.4 Å²	101.4	48%	0.477	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.6	-175.9	-69.9	-166.9	177.5	0	0	114.7
237	D	44.8	Very low	47.5	Very low	102 Å²	102	97.6 Å²	97.6	55%	0.545	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10	-178.8	-82.6	-39.9	0	0	0	114.8	R121 E235	R121-D237 IonicContact CZ-OD1 2.72Å; R121-D237 IonicContact NH2-OD1 3.44Å; R121-D237 PolarHBondContact NH2-OD1 3.17Å; R121-D237 IonicContact NH2-OD2 3.76Å; E235-D237 PolarHBondContact O-N 2.96Å
238	E	44.7	Very low	47.3	Very low	177 Å²	177	102.2 Å²	102.2	83%	0.827	56%	0.555	S	S	*	*	S	Bend	trans	-88	-28.6	-175	-80.2	-158	151	0	0	115.4
239	D	45.5	Very low	47.1	Very low	120 Å²	120	108.6 Å²	108.6	64%	0.642	57%	0.573	S	S	*	*	S	Bend	trans	-102.2	-10.5	-174.2	-146.9	15.6	0	0	0	113.6
240	G	39.9	Very low	47.2	Very low	78 Å²	78	114.7 Å²	114.7	80%	0.804	61%	0.606	S	S	*	*	S	Bend	trans	-93.1	-15	172.9	0	0	0	0	0	114.6
241	G	33.6	Very low	47.1	Very low	60 Å²	60	116.9 Å²	116.9	62%	0.619	62%	0.62	S	S	*	*	S	Bend	trans	-96.7	-5.6	-175.7	0	0	0	0	0	115.4	A243	G241-A243 PolarHBondContact O-N 2.9Å
242	R	32.5	Very low	46.8	Very low	195 Å²	195	115.7 Å²	115.7	74%	0.736	61%	0.613	S	S	*	*			trans	-79	83.2	172.8	-145.4	176.6	-172.8	129	0.4	107.8	Y244	R242-Y244 WeakPolarHBondContact O-CD2 3.5Å; R242-Y244 PolarHBondContact O-N 3.45Å
243	A	38.2	Very low	46.3	Very low	92 Å²	92	116.8 Å²	116.8	76%	0.76	63%	0.632	S	S	*	*			trans	-51.4	94.8	163.6	0	0	0	0	0	107.4	G241 A245	G241-A243 PolarHBondContact O-N 2.9Å; A243-A245 PolarHBondContact O-N 2.69Å
244	Y	43.4	Very low	45.9	Very low	182 Å²	182	119 Å²	119	71%	0.714	64%	0.643	S	S	*	*			trans	-57.5	105.5	159.2	-70.2	-85.2	0	0	0	102.9	R242 I246	R242-Y244 WeakPolarHBondContact O-CD2 3.5Å; R242-Y244 PolarHBondContact O-N 3.45Å; Y244-I246 PolarHBondContact O-N 2.77Å
245	A	41.2	Very low	45.8	Very low	98 Å²	98	119.7 Å²	119.7	81%	0.81	65%	0.645	S	S	*	*			trans	-61	88.1	164.7	0	0	0	0	0	104.5	A243 D247	A243-A245 PolarHBondContact O-N 2.69Å; A245-D247 VanDerWaalsContact C-N 3.25Å; A245-D247 PolarHBondContact O-N 3.3Å
246	I	49.2	Very low	45.2	Very low	101 Å²	101	116.7 Å²	116.7	52%	0.518	64%	0.642	S	S	.	*			trans	-61.6	100.9	168.9	-70.5	173.9	0	0	0	103.3	Y244 H248 V251	Y244-I246 PolarHBondContact O-N 2.77Å; I246-H248 PolarHBondContact O-N 3Å; I246-V251 HydrophobicContact CD1-CG2 4.45Å; I246-V251 HydrophobicContact CG2-CB 4.05Å; I246-V251 HydrophobicContact CG2-CG2 3.26Å
247	D	43.7	Very low	44.7	Very low	83 Å²	83	117 Å²	117	44%	0.444	66%	0.656	S	S	.	*			trans	-55.3	133.9	168.4	-171.8	-12.8	0	0	0	106.2	A245 R249 D250	A245-D247 VanDerWaalsContact C-N 3.25Å; A245-D247 PolarHBondContact O-N 3.3Å; D247-R249 PolarHBondContact O-N 3.22Å; D247-R249 PolarHBondContact OD1-N 3.46Å; D247-D250 PolarHBondContact O-N 3.45Å
248	H	51.3	Low	44.3	Very low	141 Å²	141	117.1 Å²	117.1	65%	0.653	67%	0.665	S	S	*	*	H	α-helix	trans	-49.2	-24.2	176.6	-178.5	-71.7	0	0	0	111.6	I246	I246-H248 PolarHBondContact O-N 3Å
249	R	51.2	Low	44.3	Very low	160 Å²	160	114 Å²	114	60%	0.604	66%	0.662	S	S	*	*	H	α-helix	trans	-76.2	-22.4	177.1	-68.7	177.4	166.9	175.4	-6.1	115.6	D247	D247-R249 PolarHBondContact O-N 3.22Å; D247-R249 PolarHBondContact OD1-N 3.46Å
250	D	58.3	Low	44.1	Very low	136 Å²	136	116.5 Å²	116.5	73%	0.727	67%	0.674	S	S	*	*	H	α-helix	trans	-90.9	-24.5	-175	-77.7	-22.2	0	0	0	113.7	D247	D247-D250 PolarHBondContact O-N 3.45Å
251	V	56.7	Low	44.2	Very low	84 Å²	84	115.8 Å²	115.8	51%	0.509	67%	0.666	S	S	.	*	H	α-helix	trans	-89	-37.1	173.9	166.3	0	0	0	0	112.1	I246	I246-V251 HydrophobicContact CD1-CG2 4.45Å; I246-V251 HydrophobicContact CG2-CB 4.05Å; I246-V251 HydrophobicContact CG2-CG2 3.26Å
252	F	50.9	Low	44.3	Very low	97 Å²	97	118.4 Å²	118.4	43%	0.425	68%	0.675	S	S	.	*	S	Bend	trans	-124.5	85.4	176.7	-56.7	-77.5	0	0	0	107.5	W185 E254	W185-F252 HydrophobicContact CH2-CE2 4.45Å; W185-F252 AromaticContact CH2-CZ 3.92Å; W185-F252 HydrophobicContact CH2-CZ 3.92Å; W185-F252 HydrophobicContact CZ3-CZ 4.44Å; F252-E254 PolarHBondContact O-N 2.84Å
253	G	44.4	Very low	44.7	Very low	54 Å²	54	114.4 Å²	114.4	56%	0.557	68%	0.677	S	S	*	*			trans	-44.8	141.4	172.9	0	0	0	0	0	110.6	I255	G253-I255 PolarHBondContact O-N 3.44Å
254	E	44.6	Very low	44.9	Very low	151 Å²	151	114.9 Å²	114.9	71%	0.706	68%	0.675	S	S	*	*			trans	-29	90.3	-168	-60.7	-173.7	158.1	0	0	114.3	F252 S256	F252-E254 PolarHBondContact O-N 2.84Å; E254-S256 PolarHBondContact O-N 3.28Å
255	I	45.3	Very low	44.9	Very low	134 Å²	134	113 Å²	113	69%	0.687	68%	0.677	S	S	*	*			trans	-68.7	93.4	165.1	45.3	159.7	0	0	0	106.6	G253 S257	G253-I255 PolarHBondContact O-N 3.44Å; I255-S257 PolarHBondContact O-N 3.35Å
256	S	37.9	Very low	45.3	Very low	104 Å²	104	112.5 Å²	112.5	73%	0.727	67%	0.668	S	S	*	*			trans	-59.7	88.5	172.1	-70.7	0	0	0	0	108.9	E254 S258	E254-S256 PolarHBondContact O-N 3.28Å; S256-S258 PolarHBondContact O-N 3.31Å
257	S	41.5	Very low	45.3	Very low	108 Å²	108	114.4 Å²	114.4	76%	0.755	68%	0.679	S	S	*	*			trans	-74	76	165.5	50.4	0	0	0	0	108.6	I255 S259	I255-S257 PolarHBondContact O-N 3.35Å; S257-S259 PolarHBondContact O-N 2.85Å
258	S	37	Very low	45.3	Very low	105 Å²	105	117.4 Å²	117.4	73%	0.734	70%	0.695	S	S	*	*			trans	-73.8	81.9	169.1	61.3	0	0	0	0	109.5	S256 I260	S256-S258 PolarHBondContact O-N 3.31Å; S258-I260 PolarHBondContact O-N 3.06Å
259	S	45	Very low	45	Very low	110 Å²	110	118.7 Å²	118.7	77%	0.769	71%	0.707	S	S	*	*			trans	-74.3	103.4	162.8	57.3	0	0	0	0	108.8	S257 G261	S257-S259 PolarHBondContact O-N 2.85Å; S259-G261 PolarHBondContact O-N 2.88Å
260	I	41	Very low	44.5	Very low	174 Å²	174	115.6 Å²	115.6	89%	0.892	71%	0.71	S	S	*	*			trans	-55.7	112.3	165.5	46	158.3	0	0	0	110.4	S258	S258-I260 PolarHBondContact O-N 3.06Å
261	G	40.4	Very low	43.8	Very low	63 Å²	63	114.8 Å²	114.8	65%	0.649	72%	0.715	S	S	*	*			trans	-174.2	120.3	176.7	0	0	0	0	0	113.7	S259	S259-G261 PolarHBondContact O-N 2.88Å
262	S	37.6	Very low	43.1	Very low	114 Å²	114	116 Å²	116	80%	0.797	73%	0.727	S	S	*	*			trans	71.8	101.5	168.5	73.3	0	0	0	0	115.7
263	S	40.5	Very low	42.5	Very low	112 Å²	112	116.9 Å²	116.9	78%	0.783	75%	0.745	S	S	*	*				76.4	122.5	70.3	73.5	0	0	0	0	114.3
264	S	41.1	Very low	42.5	Very low	102 Å²	102	119.6 Å²	119.6	71%	0.713	76%	0.755	S	S	*	*			trans	108.3	134.8	149	-138.5	0	0	0	0	117.3
265	D	44.4	Very low	42.3	Very low	141 Å²	141	120.1 Å²	120.1	75%	0.754	76%	0.757	S	S	*	*			trans	84.6	132.3	159.8	-52.4	-14.3	0	0	0	117
266	S	48.7	Very low	42.2	Very low	89 Å²	89	124.8 Å²	124.8	62%	0.622	77%	0.767	S	S	*	*			cis	165.5	137.6	-15.2	-92.9	0	0	0	0	103.8
267	D	49.2	Very low	42.3	Very low	141 Å²	141	123.2 Å²	123.2	75%	0.754	77%	0.767	S	S	*	*			trans	77.9	104.9	151.1	-51.7	-23.9	0	0	0	120.8
268	D	44.7	Very low	42.3	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	78%	0.776	S	S	*	*				52	115.3	119.7	-80.6	-20.8	0	0	0	120.3
269	N	44	Very low	42.5	Very low	169 Å²	169	124.8 Å²	124.8	90%	0.904	78%	0.775	S	S	*	*				-153.8	123.7	123.9	-115	-30.9	0	0	0	112.6
270	S	41	Very low	42.2	Very low	95 Å²	95	123.7 Å²	123.7	66%	0.664	78%	0.781	S	S	*	*			trans	-103	163.2	171.6	54.7	0	0	0	0	109.9
271	S	43.4	Very low	42.3	Very low	118 Å²	118	119.4 Å²	119.4	83%	0.825	78%	0.779	S	S	*	*			trans	85	141.4	178.5	83.3	0	0	0	0	115.1
272	S	42.5	Very low	42.4	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	79%	0.791	S	S	*	*			cis	-167.9	155.9	-11.7	47	0	0	0	0	107.2
273	S	38.9	Very low	42.7	Very low	116 Å²	116	119.7 Å²	119.7	81%	0.811	79%	0.791	S	S	*	*			trans	-75.2	139.7	178.5	44.8	0	0	0	0	113.3
274	S	43.2	Very low	43	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	79%	0.791	S	S	*	*			trans	-180	105.1	145.2	38.3	0	0	0	0	108.6
275	H	42	Very low	43.2	Very low	162 Å²	162	128.1 Å²	128.1	75%	0.75	80%	0.801	S	S	*	*				54.2	107.8	85	-107	56.4	0	0	0	116.3
276	R	42.2	Very low	43	Very low	233 Å²	233	130 Å²	130	88%	0.879	81%	0.805	S	S	*	*			trans	94.4	134.1	141.5	-61.7	-179.2	173.1	-170.7	-0.3	120.5
277	G	40.6	Very low	42.6	Very low	71 Å²	71	137 Å²	137	73%	0.732	82%	0.818	S	S	*	*			trans	113.5	88.8	150.5	0	0	0	0	0	113.7
278	N	41.2	Very low	42.5	Very low	177 Å²	177	138.6 Å²	138.6	95%	0.947	82%	0.82	S	S	*	*				74.1	118.7	88.6	-168.9	51.6	0	0	0	114.8
279	G	40	Very low	42.3	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	83%	0.826	S	S	*	*			trans	140	95.6	149.5	0	0	0	0	0	118
280	G	40.5	Very low	42.1	Very low	87 Å²	87	136.5 Å²	136.5	90%	0.897	82%	0.822	S	S	*	*				96.8	124.6	121.9	0	0	0	0	0	121.3
281	G	41.2	Very low	42	Very low	83 Å²	83	135.4 Å²	135.4	86%	0.856	83%	0.825	S	S	*	*			trans	115.9	96.5	154.2	0	0	0	0	0	113.7
282	G	42.9	Very low	42	Very low	86 Å²	86	141.9 Å²	141.9	89%	0.887	83%	0.832	S	S	*	*				92.9	132	83.7	0	0	0	0	0	109.2
283	A	44.8	Very low	42	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	83%	0.831	S	S	*	*			cis	-153.4	132.5	14.8	0	0	0	0	0	106.8
284	D	46	Very low	42.3	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	84%	0.838	S	S	*	*				64.6	108.4	86.5	-150.4	8.6	0	0	0	116.1
285	R	45.2	Very low	42.1	Very low	246 Å²	246	149.9 Å²	149.9	93%	0.928	84%	0.841	S	S	*	*			trans	178.5	100.4	134.3	-94.4	166.6	-163.2	-168	6.4	111.9
286	H	40.4	Very low	42.1	Very low	180 Å²	180	153.3 Å²	153.3	83%	0.833	85%	0.847	S	S	*	*			trans	-87.6	153.4	159.4	-93.8	-82.5	0	0	0	111.1
287	R	41.5	Very low	42.1	Very low	236 Å²	236	150.8 Å²	150.8	89%	0.891	85%	0.85	S	S	*	*			trans	166	148.6	143.5	-97.1	171.5	179.5	-169.5	1.3	109
288	H	46.6	Very low	42.1	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.806	86%	0.855	S	S	*	*			cis	-176.8	136.7	-21.2	-139	-78.5	0	0	0	103.8
289	E	40.2	Very low	42.3	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	85%	0.849	S	S	*	*			trans	-68.6	153.2	166.3	-77.1	-176.8	137.6	0	0	111.7
290	G	40.2	Very low	42.7	Very low	79 Å²	79	150.8 Å²	150.8	81%	0.814	86%	0.855	S	S	*	*			trans	170.8	102.9	166.3	0	0	0	0	0	112.4
291	G	39	Very low	42.9	Very low	72 Å²	72	154.2 Å²	154.2	74%	0.742	85%	0.852	S	S	*	*			trans	-75.9	-177.9	-176.9	0	0	0	0	0	116.2
292	R	43.5	Very low	43.4	Very low	254 Å²	254	159.2 Å²	159.2	96%	0.958	85%	0.853	S	S	*	*			trans	177.5	127.6	149.6	-97.1	157.5	-167.2	-150	4.2	109.3
293	G	41.4	Very low	43.7	Very low	73 Å²	73	160.1 Å²	160.1	75%	0.753	84%	0.843	S	S	*	*			trans	-75.6	167.6	171.3	0	0	0	0	0	113.3
294	R	46.1	Very low	43.7	Very low	252 Å²	252	160.1 Å²	160.1	95%	0.951	84%	0.837	S	S	*	*			trans	-172	125.9	149.1	-108.9	172.8	179.4	-171.2	-1.3	110.6
295	E	39.8	Very low	44	Very low	179 Å²	179	160.2 Å²	160.2	84%	0.836	84%	0.838	S	S	*	*			trans	-64.9	148.9	161.2	-57.4	170.6	158	0	0	110.7
296	R	41.9	Very low	43.9	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	83%	0.828	S	S	*	*				162.8	127.7	125.7	-88.1	172.8	-178.4	-141.5	-1.1	112.8
297	L	41.9	Very low	44.5	Very low	179 Å²	179	154.4 Å²	154.4	94%	0.937	83%	0.831	S	S	*	*			trans	-8	143	152.4	-56.4	165.1	0	0	0	118.9
298	G	40.9	Very low	44.5	Very low	81 Å²	81	151.8 Å²	151.8	84%	0.835	83%	0.829	S	S	*	*			trans	178.9	107.4	162.6	0	0	0	0	0	113.2
299	S	44	Very low	44.7	Very low	118 Å²	118	153.1 Å²	153.1	83%	0.825	84%	0.835	S	S	*	*			trans	-71.3	150.3	170.3	49.5	0	0	0	0	113.4
300	S	49.3	Very low	44.8	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	83%	0.83	S	S	*	*			trans	179.6	124.7	142.6	45.8	0	0	0	0	112.2
301	D	44.6	Very low	45	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	83%	0.833	S	S	*	*			trans	-62.6	157.5	167.1	-55.7	-64.8	0	0	0	113.2
302	H	52.5	Low	45.1	Very low	188 Å²	188	155.2 Å²	155.2	87%	0.87	84%	0.835	S	S	*	*			trans	-150.9	131.5	155.4	-116.9	-64.1	0	0	0	111.3
303	P	48.9	Very low	45	Very low	104 Å²	104	146.9 Å²	146.9	68%	0.675	83%	0.828	S	S	*	*			trans	-101.9	165.7	-177.5	39.2	-33.2	0	0	0	114.6
304	S	43.1	Very low	44.9	Very low	99 Å²	99	151.3 Å²	151.3	69%	0.692	83%	0.834	S	S	*	*			trans	9.8	135.8	153.9	61.6	0	0	0	0	122.7
305	D	52.6	Low	44.4	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	82%	0.816	S	S	*	*			trans	-155.9	111.7	141.1	-86.1	-38.5	0	0	0	107.3
306	N	44.8	Very low	44.2	Very low	134 Å²	134	143.6 Å²	143.6	72%	0.717	82%	0.82	S	S	*	*				64.9	117.8	93.7	-70.7	-35.9	0	0	0	114.6
307	D	51.4	Low	43.9	Very low	170 Å²	170	138.2 Å²	138.2	91%	0.909	81%	0.813	S	S	*	*				-176.4	118	125.4	-87.7	-23.3	0	0	0	111.5
308	E	42.9	Very low	43.7	Very low	181 Å²	181	138.9 Å²	138.9	85%	0.846	81%	0.808	S	S	*	*			trans	-82.7	146.1	173.2	-62.6	177.4	152	0	0	111
309	H	50.3	Low	43.3	Very low	201 Å²	201	141.6 Å²	141.6	93%	0.931	80%	0.804	S	S	*	*			trans	-152.9	118.7	145.9	-94.2	-56.6	0	0	0	111
310	A	41	Very low	42.7	Very low	94 Å²	94	147.1 Å²	147.1	78%	0.777	81%	0.808	S	S	*	*			trans	-87.6	147.6	172.2	0	0	0	0	0	111.3
311	D	45.1	Very low	42.1	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	81%	0.807	S	S	*	*			trans	-140.4	138	151.9	-163.5	15.1	0	0	0	110.2
312	V	42	Very low	41.5	Very low	130 Å²	130	149.5 Å²	149.5	79%	0.788	81%	0.806	S	S	*	*			trans	-119.4	128.5	-168.3	170.9	0	0	0	0	107.9
313	G	40.3	Very low	40.8	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	80%	0.802	S	S	*	*			trans	-144.5	94.8	176.7	0	0	0	0	0	113.3
314	D	38.9	Very low	40.2	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	81%	0.811	S	S	*	*			trans	-31.2	133.8	159.6	-157.3	27.6	0	0	0	113
315	G	35.3	Very low	39.7	Very low	54 Å²	54	146.5 Å²	146.5	56%	0.557	81%	0.814	S	S	*	*				112.8	114.7	50.7	0	0	0	0	0	109.5
316	K	37	Very low	38.8	Very low	214 Å²	214	150.7 Å²	150.7	93%	0.93	82%	0.819	S	S	*	*			trans	175.9	119.1	142	-100.3	169.4	-172.9	174.1	0	114.1
317	V	35.6	Very low	38.1	Very low	121 Å²	121	151.3 Å²	151.3	73%	0.733	82%	0.822	S	S	*	*			trans	-77.5	141.9	167.4	175.4	0	0	0	0	110.5
318	K	37.3	Very low	37.5	Very low	193 Å²	193	152.3 Å²	152.3	84%	0.839	82%	0.821	S	S	*	*			trans	-147	111.4	152.7	-79.7	-167.4	179	174.6	0	110.9
319	D	33.3	Very low	36.8	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	82%	0.817	S	S	*	*			trans	-67	142.1	162.5	-58.4	-51.9	0	0	0	110.8
320	Y	31.5	Very low	36.2	Very low	234 Å²	234	146.5 Å²	146.5	92%	0.918	81%	0.813	S	S	*	*			trans	-149.4	135.6	149.2	-96.7	-74.9	0	0	0	112.5
321	N	34.9	Very low	35.9	Very low	149 Å²	149	149 Å²	149	80%	0.797	81%	0.813	S	S	*	*			trans	-80.9	162.9	-170.3	-105.3	-39	0	0	0	115
322	Q	32.2	Very low	35.6	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	82%	0.815	S	S	*	*			trans	-42.2	146.5	174.3	-59.8	166.7	11.5	0	0	117.2
323	S	38.3	Very low	35	Very low	112 Å²	112	148.9 Å²	148.9	78%	0.783	82%	0.818	S	S	*	*			trans	-168.2	118.4	133.8	53.8	0	0	0	0	112.8
324	S	35.4	Very low	34.7	Very low	123 Å²	123	149.5 Å²	149.5	86%	0.86	82%	0.815	S	S	*	*			trans	36.1	122.7	135.7	-53.7	0	0	0	0	120.6
325	A	33.8	Very low	34.3	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	81%	0.812	S	S	*	*				146.3	135.1	95.9	0	0	0	0	0	114.1
326	R	34	Very low	34.1	Very low	235 Å²	235	153.7 Å²	153.7	89%	0.887	83%	0.829	S	S	*	*			trans	96.1	105.4	132.3	-145.5	168	-174.3	163.7	0.6	119.3
327	N	29.9	Very low	33.8	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	81%	0.813	S	S	*	*			trans	-31.3	143.4	155.4	-65.1	-14.3	0	0	0	115.9
328	Q	37.8	Very low	33.4	Very low	191 Å²	191	149.1 Å²	149.1	89%	0.893	81%	0.814	S	S	*	*			trans	-154.3	119.3	133.8	-111	163.3	86.7	0	0	110.7
329	T	29.7	Very low	33.1	Very low	123 Å²	123	149.5 Å²	149.5	76%	0.755	82%	0.819	S	S	*	*			trans	-70.2	140.9	169.9	40.6	0	0	0	0	111.7
330	T	37.5	Very low	33	Very low	137 Å²	137	147.8 Å²	147.8	84%	0.84	82%	0.818	S	S	*	*			trans	-149.3	121.2	144.9	47.2	0	0	0	0	110
331	D	34.7	Very low	33.1	Very low	148 Å²	148	143 Å²	143	79%	0.791	81%	0.813	S	S	*	*			trans	-59.7	146.9	172.1	-55.9	-58.7	0	0	0	112.5
332	N	37.2	Very low	33.3	Very low	170 Å²	170	140.6 Å²	140.6	91%	0.909	81%	0.808	S	S	*	*			trans	-143.5	99.7	153.4	-88.9	-40.5	0	0	0	109
333	S	30.6	Very low	33.4	Very low	121 Å²	121	139.3 Å²	139.3	85%	0.846	80%	0.802	S	S	*	*			trans	-80.8	124.4	164.3	66.9	0	0	0	0	110
334	A	34.3	Very low	33.4	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	80%	0.796	S	S	*	*			trans	-155.4	103.3	155.9	0	0	0	0	0	107.3
335	L	29	Very low	33.5	Very low	159 Å²	159	137.9 Å²	137.9	83%	0.832	78%	0.783	S	S	*	*				74	81	92	-157	115.3	0	0	0	112.5
336	V	32.4	Very low	33.4	Very low	149 Å²	149	141.6 Å²	141.6	90%	0.903	78%	0.778	S	S	*	*			trans	-137.8	107.4	150.4	-178.4	0	0	0	0	108.5
337	T	30.4	Very low	33.5	Very low	97 Å²	97	136 Å²	136	60%	0.595	77%	0.766	S	S	*	*			trans	-95.2	147.6	-179.6	-21.6	0	0	0	0	109.3
338	N	27.6	Very low	33.7	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	76%	0.762	S	S	*	*			trans	74.6	96.5	153.9	-56.1	-38	0	0	0	118.7
339	Q	31.2	Very low	33.6	Very low	201 Å²	201	133.5 Å²	133.5	94%	0.939	75%	0.751	S	S	*	*			trans	-167.6	75.5	141.4	-105.6	171.2	48.1	0	0	109.2
340	S	30.5	Very low	33.8	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	75%	0.749	S	S	*	*			trans	-157.2	59.4	176.9	65.7	0	0	0	0	111.7
341	T	33.8	Very low	33.7	Very low	132 Å²	132	133.3 Å²	133.3	81%	0.81	74%	0.739	S	S	*	*	S	Bend	trans	-144	4.4	175.9	43.8	0	0	0	0	115.9
342	S	37.9	Very low	33.5	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	73%	0.728	S	S	*	*	S	Bend	trans	-109.6	-18.9	178.8	56	0	0	0	0	116
343	E	35.6	Very low	33.2	Very low	152 Å²	152	129.1 Å²	129.1	71%	0.71	72%	0.719	S	S	*	*	H	α-helix	trans	-92.5	-23.1	-174.8	-75.3	177.3	155.5	0	0	114.1	V345 N347	E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 2.91Å; E343-N347 PolarHBondContact O-ND2 3.38Å
344	T	37.8	Very low	33.2	Very low	107 Å²	107	130.4 Å²	130.4	66%	0.656	71%	0.714	S	S	*	*	H	α-helix	trans	-79.9	-14.2	-177.3	-31.6	0	0	0	0	113.6
345	V	37.3	Very low	32.8	Very low	98 Å²	98	132.4 Å²	132.4	59%	0.594	72%	0.718	S	S	*	*	H	α-helix	trans	-97.8	-25.8	179.5	-178.1	0	0	0	0	111.8	E343	E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 2.91Å
346	Y	31.8	Very low	32.7	Very low	170 Å²	170	129.9 Å²	129.9	67%	0.667	71%	0.713	S	S	*	*	H	α-helix	trans	-79	-31.8	177.8	-158.6	-100.8	0	0	0	112.5
347	N	36.4	Very low	32.4	Very low	118 Å²	118	129.5 Å²	129.5	63%	0.631	71%	0.711	S	S	*	*	H	α-helix	trans	-81.5	-12	178.7	-67.6	-25	0	0	0	114	E343	E343-N347 PolarHBondContact O-ND2 3.38Å
348	K	34.9	Very low	32.5	Very low	159 Å²	159	131.1 Å²	131.1	69%	0.691	72%	0.721	S	S	*	*	H	α-helix	trans	-88.5	-14.6	-179.9	-142.5	171	-173.9	178.7	0	113.8	T352	K348-T352 PolarHBondContact O-OG1 3.31Å; K348-T352 VanDerWaalsContact O-OG1 3.06Å
349	L	34.8	Very low	32.6	Very low	125 Å²	125	131.8 Å²	131.8	65%	0.654	73%	0.725	S	S	*	*	H	α-helix	trans	-101.6	-18.1	-176.3	-77.3	160.7	0	0	0	113.9
350	K	34.6	Very low	32.8	Very low	167 Å²	167	130 Å²	130	73%	0.726	72%	0.721	S	S	*	*	H	α-helix	trans	-89.1	-20.3	174.5	-99.1	-175.6	173.7	-174.3	0	114.2	T352	K350-T352 VanDerWaalsContact C-N 3.29Å
351	S	35.3	Very low	32.8	Very low	90 Å²	90	133 Å²	133	63%	0.629	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	2.9	172.9	65.9	0	0	0	0	113.9
352	T	30.5	Very low	32.8	Very low	91 Å²	91	131.8 Å²	131.8	56%	0.558	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	6.7	-176.5	-57.1	0	0	0	0	112.5	K348 K350	K348-T352 PolarHBondContact O-OG1 3.31Å; K348-T352 VanDerWaalsContact O-OG1 3.06Å; K350-T352 VanDerWaalsContact C-N 3.29Å
353	I	30.6	Very low	32.4	Very low	139 Å²	139	133 Å²	133	71%	0.713	73%	0.729	S	S	*	*	S	Bend	trans	-118.9	63	177	-49.4	177	0	0	0	108.8
354	I	29.8	Very low	32.4	Very low	147 Å²	147	133.3 Å²	133.3	75%	0.754	74%	0.736	S	S	*	*	S	Bend	trans	-175.8	123.7	159.6	-85.7	139	0	0	0	103.1
355	T	26.9	Very low	31.9	Very low	135 Å²	135	134.2 Å²	134.2	83%	0.828	74%	0.741	S	S	*	*			trans	81.2	92.1	-175.4	70.1	0	0	0	0	117.9
356	S	25.8	Very low	31.6	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	75%	0.751	S	S	*	*			trans	-165.9	79.2	151.6	19.4	0	0	0	0	110.2
357	T	27.6	Very low	31.4	Very low	142 Å²	142	134.3 Å²	134.3	87%	0.871	76%	0.756	S	S	*	*			trans	-137.4	76.7	154	53.5	0	0	0	0	107.9
358	T	31.5	Very low	31	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	76%	0.759	S	S	*	*			trans	-118.5	131.8	163	47.2	0	0	0	0	108.2
359	N	30.4	Very low	30.7	Very low	157 Å²	157	131.5 Å²	131.5	84%	0.84	77%	0.766	S	S	*	*			trans	-58.5	133	-171.1	-56.2	-55.9	0	0	0	112.9
360	D	35	Very low	30.3	Very low	162 Å²	162	131.9 Å²	131.9	87%	0.866	77%	0.773	S	S	*	*			trans	-108.6	132.9	156.5	-87	-30.8	0	0	0	109.7
361	L	30.3	Very low	30.1	Very low	166 Å²	166	129.1 Å²	129.1	87%	0.869	78%	0.775	S	S	*	*			trans	-72.2	136.5	-173.9	-65.1	98.7	0	0	0	112.6
362	S	33.5	Very low	29.7	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	78%	0.782	S	S	*	*			trans	-167.4	110.2	137.4	46.6	0	0	0	0	110.8
363	T	29.8	Very low	29.6	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	79%	0.79	S	S	*	*			trans	8.6	114.1	146.9	51.5	0	0	0	0	117.2
364	D	34.9	Very low	29.5	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	79%	0.788	S	S	*	*				-174.9	148.6	111.3	-88.2	-23.2	0	0	0	113.1
365	V	28.2	Very low	29.7	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	79%	0.788	S	S	*	*			trans	-70.5	140.7	-169.1	-175.2	0	0	0	0	111.1
366	I	31.1	Very low	29.8	Very low	160 Å²	160	131.7 Å²	131.7	82%	0.821	78%	0.783	S	S	*	*				174.1	127.4	126.8	-83.6	151.6	0	0	0	111
367	S	26.3	Very low	30	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	79%	0.786	S	S	*	*			trans	-34.7	143.7	170.2	-57.7	0	0	0	0	116.9
368	A	28.3	Very low	30.3	Very low	82 Å²	82	134.8 Å²	134.8	68%	0.678	79%	0.785	S	S	*	*				166.3	126.9	91.3	0	0	0	0	0	113
369	T	29.5	Very low	30.3	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	79%	0.786	S	S	*	*			trans	62.3	102.1	141.4	56.6	0	0	0	0	120.3
370	T	25.9	Very low	30.4	Very low	132 Å²	132	137.6 Å²	137.6	81%	0.81	79%	0.786	S	S	*	*			trans	-59.2	131.5	153.5	-50.3	0	0	0	0	111.9	I372	T370-I372 HydrophobicContact CG2-CG1 4.22Å
371	S	29.9	Very low	30.5	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	79%	0.787	S	S	*	*			trans	-125.8	124.4	152	52.3	0	0	0	0	109.3
372	I	27	Very low	30.7	Very low	154 Å²	154	139.8 Å²	139.8	79%	0.79	79%	0.792	S	S	*	*			trans	-75.9	132.4	179.1	-63.9	163.7	0	0	0	108.1	T370	T370-I372 HydrophobicContact CG2-CG1 4.22Å
373	I	29.8	Very low	30.6	Very low	140 Å²	140	139.7 Å²	139.7	72%	0.718	80%	0.797	S	S	*	*			trans	-126	125.7	165	-58.2	178.9	0	0	0	107.7
374	P	27.1	Very low	30.9	Very low	102 Å²	102	138.5 Å²	138.5	66%	0.662	80%	0.8	S	S	*	*			trans	-80.1	138.7	178.7	33.1	-30.8	0	0	0	109.7
375	V	34.7	Very low	31.1	Very low	126 Å²	126	139.9 Å²	139.9	76%	0.764	80%	0.801	S	S	*	*			trans	-105.5	81.4	176.4	-151.6	0	0	0	0	108.8
376	D	28.5	Very low	31.6	Very low	134 Å²	134	141.9 Å²	141.9	72%	0.717	81%	0.807	S	S	*	*			trans	-74.5	143.6	150.5	-68.6	-45.6	0	0	0	107.8
377	N	30.6	Very low	31.7	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	81%	0.808	S	S	*	*			trans	89	74.9	174.9	-51.6	-27.6	0	0	0	117.3
378	L	33.5	Very low	32.3	Very low	162 Å²	162	145.4 Å²	145.4	85%	0.848	82%	0.817	S	S	*	*			trans	-128.2	61.7	146.7	-82	155.6	0	0	0	108.3
379	K	31.4	Very low	32.7	Very low	187 Å²	187	146.6 Å²	146.6	81%	0.813	82%	0.821	S	S	*	*			trans	-97.7	138.8	151	-71	179.7	178.2	178.1	0	104.7
380	D	33.6	Very low	33.3	Very low	160 Å²	160	147.7 Å²	147.7	86%	0.856	82%	0.821	S	S	*	*	S	Bend	trans	97.1	61	-179.8	-47.5	-18.7	0	0	0	115.3
381	E	36.7	Very low	33.8	Very low	189 Å²	189	146.9 Å²	146.9	88%	0.883	82%	0.821	S	S	*	*	S	Bend	trans	-165.8	16	149	-121	177.2	178.1	0	0	117.1
382	L	34	Very low	34.4	Very low	185 Å²	185	145 Å²	145	97%	0.969	82%	0.819	S	S	*	*	S	Bend	trans	-124.6	19.1	-179.2	-99.5	154.3	0	0	0	114.4
383	A	32.5	Very low	34.9	Very low	105 Å²	105	145.7 Å²	145.7	87%	0.868	83%	0.825	S	S	*	*			trans	-120.1	69.1	178.2	0	0	0	0	0	110.6
384	A	35.7	Very low	35.7	Very low	99 Å²	99	148.4 Å²	148.4	82%	0.818	83%	0.834	S	S	*	*	S	Bend	trans	-151.1	4.9	174.3	0	0	0	0	0	116.1
385	E	39.5	Very low	36.3	Very low	188 Å²	188	153 Å²	153	88%	0.879	85%	0.847	S	S	*	*	S	Bend	trans	-125.4	76.9	172.9	-81.6	-148.9	155.2	0	0	110.5
386	L	37.4	Very low	36.3	Very low	168 Å²	168	151.4 Å²	151.4	88%	0.88	85%	0.846	S	S	*	*			trans	-172.9	48.7	164.8	-104.7	164.1	0	0	0	110
387	L	33.5	Very low	36.9	Very low	160 Å²	160	153.1 Å²	153.1	84%	0.838	86%	0.856	S	S	*	*			trans	-145	77.6	172.4	-73.4	177.9	0	0	0	110.8
388	L	39.4	Very low	37.1	Very low	184 Å²	184	150.9 Å²	150.9	96%	0.963	85%	0.852	S	S	*	*			trans	-128.5	76.5	156.2	-83.2	162.5	0	0	0	106.8
389	S	37.4	Very low	37.4	Very low	108 Å²	108	150.6 Å²	150.6	76%	0.755	86%	0.857	S	S	*	*			trans	-82.1	110.8	166.9	48	0	0	0	0	108.5
390	D	41.1	Very low	37.6	Very low	159 Å²	159	145 Å²	145	85%	0.85	85%	0.851	S	S	*	*			trans	-63.3	124	169.6	-161.1	3.2	0	0	0	109.7
391	S	36.6	Very low	37.5	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	85%	0.848	S	S	*	*			trans	-93.2	101.7	176.7	54	0	0	0	0	108.7
392	G	42.1	Very low	37.5	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	85%	0.846	S	S	*	*			trans	-122.9	112.4	170.2	0	0	0	0	0	110.1
393	D	38.3	Very low	37.4	Very low	168 Å²	168	139.8 Å²	139.8	90%	0.898	84%	0.84	S	S	*	*			trans	-62.2	126.9	176.2	-66.5	-53.7	0	0	0	111.7
394	E	45.6	Very low	37.9	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	84%	0.835	S	S	*	*			trans	-133.8	130.6	156.1	-75.7	-154.9	166.3	0	0	112.3
395	Q	39.8	Very low	38	Very low	200 Å²	200	143.8 Å²	143.8	94%	0.935	84%	0.837	S	S	*	*			trans	-87.6	131.1	-174.9	-155.8	163.1	55.2	0	0	108.9
396	A	35.5	Very low	38	Very low	91 Å²	91	142.3 Å²	142.3	75%	0.752	84%	0.836	S	S	*	*			trans	-63.3	141.7	-176.3	0	0	0	0	0	113.5
397	D	40.8	Very low	38	Very low	170 Å²	170	141.7 Å²	141.7	91%	0.909	83%	0.833	S	S	*	*			trans	-146.4	130.9	139.5	-103.1	-25.6	0	0	0	110.8
398	S	34.6	Very low	38	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	83%	0.833	S	S	*	*			trans	-91.6	135.9	-167.3	55.6	0	0	0	0	113.2
399	V	40.3	Very low	37.8	Very low	157 Å²	157	140.5 Å²	140.5	95%	0.952	83%	0.827	S	S	*	*			trans	-164.9	126.8	138.4	-134.6	0	0	0	0	112.8
400	G	34.6	Very low	37.6	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	84%	0.835	S	S	*	*				93.3	82.1	127.3	0	0	0	0	0	122.3
401	V	31.6	Very low	37	Very low	130 Å²	130	143 Å²	143	79%	0.788	83%	0.831	S	S	*	*				40.1	117.4	128.9	-169.3	0	0	0	0	120.3
402	V	38.3	Very low	36.8	Very low	140 Å²	140	142.3 Å²	142.3	85%	0.848	83%	0.826	S	S	*	*				-166	130.1	120.8	-100.8	0	0	0	0	111.4
403	D	31.7	Very low	36.1	Very low	156 Å²	156	144.9 Å²	144.9	83%	0.834	83%	0.827	S	S	*	*			trans	-69.4	133.3	176.9	-60	-64.1	0	0	0	112.5
404	V	43.2	Very low	35.5	Very low	127 Å²	127	142.8 Å²	142.8	77%	0.77	82%	0.82	S	S	*	*			trans	-145.4	128.3	158.2	-175.5	0	0	0	0	108.4
405	D	36.6	Very low	34.7	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	81%	0.811	S	S	*	*			trans	-64.1	125.7	179.1	-56.6	-70.3	0	0	0	112
406	D	38.9	Very low	34.1	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	81%	0.807	S	S	*	*			trans	-115	95.8	170.9	-88.9	-42.6	0	0	0	109
407	D	37.8	Very low	33.7	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	81%	0.812	S	S	*	*			trans	-110.8	142.7	156	-86.6	-45.1	0	0	0	107.4
408	D	35	Very low	33	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	81%	0.805	S	S	*	*			trans	90.9	65.1	174.6	-58.6	-28.6	0	0	0	119.2
409	L	34.7	Very low	32.7	Very low	163 Å²	163	140 Å²	140	85%	0.853	81%	0.806	S	S	*	*			trans	-131.9	82.8	148	-78.1	171.1	0	0	0	110.6
410	Q	32	Very low	31.9	Very low	197 Å²	197	140.3 Å²	140.3	92%	0.921	80%	0.803	S	S	*	*			trans	-97.2	93.5	159	-71.5	-161.5	21.2	0	0	109.9	S412	Q410-S412 PolarHBondContact O-N 3.39Å
411	T	29	Very low	31.7	Very low	124 Å²	124	142.4 Å²	142.4	76%	0.761	81%	0.806	S	S	*	*			trans	-72.1	100.6	159.6	48	0	0	0	0	108.7	V413	T411-V413 PolarHBondContact O-N 3.02Å
412	S	32.3	Very low	31.5	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	81%	0.805	S	S	*	*			trans	-79.9	108.3	169.8	169.3	0	0	0	0	109.5	Q410 V414	Q410-S412 PolarHBondContact O-N 3.39Å; S412-V414 WeakPolarHBondContact OG-CG2 3.29Å
413	V	27	Very low	31.1	Very low	125 Å²	125	142.4 Å²	142.4	76%	0.758	80%	0.802	S	S	*	*			trans	-82.4	104.3	164.1	177.1	0	0	0	0	106.5	T411 T415	T411-V413 PolarHBondContact O-N 3.02Å; V413-T415 PolarHBondContact O-N 2.85Å
414	V	27.2	Very low	30.9	Very low	123 Å²	123	144 Å²	144	75%	0.745	80%	0.802	S	S	*	*			trans	-87.4	109.2	171.9	-175.6	0	0	0	0	108.4	S412	S412-V414 WeakPolarHBondContact OG-CG2 3.29Å
415	T	27.5	Very low	30.3	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	80%	0.803	S	S	*	*			trans	-88.4	116.4	168	-11.4	0	0	0	0	107.6	V413 L417	V413-T415 PolarHBondContact O-N 2.85Å; T415-L417 PolarHBondContact O-N 2.99Å
416	E	28.1	Very low	29.9	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	80%	0.803	S	S	*	*			trans	-69.7	114.9	170	-91.1	-177.9	142.5	0	0	110.3
417	L	26.3	Very low	29.5	Very low	163 Å²	163	143 Å²	143	85%	0.853	80%	0.799	S	S	*	*			trans	-101.5	106.9	160.8	-89.3	161.3	0	0	0	107.8	T415 A419	T415-L417 PolarHBondContact O-N 2.99Å; L417-A419 PolarHBondContact O-N 3.47Å; L417-A419 VanDerWaalsContact O-N 3.17Å
418	I	25.8	Very low	28.9	Very low	150 Å²	150	141.3 Å²	141.3	77%	0.769	79%	0.79	S	S	*	*			trans	-65.8	107.6	170	-62.5	169	0	0	0	107.7
419	A	29.2	Very low	28.6	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	77%	0.774	S	S	*	*			trans	-112.4	104.5	169.5	0	0	0	0	0	109.5	L417 S421	L417-A419 PolarHBondContact O-N 3.47Å; L417-A419 VanDerWaalsContact O-N 3.17Å; A419-S421 PolarHBondContact O-N 2.79Å
420	N	24.2	Very low	28.2	Very low	163 Å²	163	136.4 Å²	136.4	87%	0.872	76%	0.759	S	S	*	*			trans	-55.2	116	165.1	-76.9	-28.4	0	0	0	109.8
421	S	30	Very low	28	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	75%	0.753	S	S	*	*			trans	-135.8	101.4	161.3	-166.2	0	0	0	0	110.1	A419 N423	A419-S421 PolarHBondContact O-N 2.79Å; S421-N423 PolarHBondContact O-N 2.83Å
422	T	26.1	Very low	27.8	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	75%	0.752	S	S	*	*			trans	-57.8	110.8	157.4	48.3	0	0	0	0	108.9
423	N	30.7	Very low	27.6	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	75%	0.753	S	S	*	*			trans	-175.3	135.9	138.8	-96	-34.3	0	0	0	113.3	S421 N425	S421-N423 PolarHBondContact O-N 2.83Å; N423-N425 PolarHBondContact O-N 3.46Å
424	K	28.3	Very low	27.5	Very low	191 Å²	191	139.5 Å²	139.5	83%	0.83	75%	0.754	S	S	*	*			trans	-41.9	119.9	173.9	-56.9	164.4	-178.9	177.2	0	112.4
425	N	29.3	Very low	27.3	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	75%	0.754	S	S	*	*			trans	-136.1	92.5	162.6	-86.9	-19.5	0	0	0	109.8	N423 I427	N423-N425 PolarHBondContact O-N 3.46Å; N425-I427 PolarHBondContact O-N 3.36Å
426	S	28.1	Very low	27.1	Very low	120 Å²	120	139.6 Å²	139.6	84%	0.839	75%	0.754	S	S	*	*			trans	-77.3	107.5	160.1	-48.9	0	0	0	0	107.3	N428	S426-N428 PolarHBondContact O-N 2.84Å
427	I	30.7	Very low	27	Very low	151 Å²	151	137.9 Å²	137.9	77%	0.774	75%	0.75	S	S	*	*			trans	-82.1	118.8	174.7	-61.7	174.9	0	0	0	108	N425 M429	N425-I427 PolarHBondContact O-N 3.36Å; I427-M429 HydrophobicContact CG2-CG 4.41Å
428	N	26.3	Very low	27	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	74%	0.74	S	S	*	*			trans	-111.7	99.1	-176	-156.2	-22.2	0	0	0	107.1	S426 Q430	S426-N428 PolarHBondContact O-N 2.84Å; N428-Q430 PolarHBondContact O-N 3.12Å
429	M	27.7	Very low	27	Very low	100 Å²	100	135.1 Å²	135.1	49%	0.493	74%	0.737	S	S	.	*			trans	-79.5	106.1	-175.8	-77	-87.2	-72.3	0	0	110.7	K41 I427 D441	K41-M429 WeakPolarHBondContact CD-O 3.35Å; K41-M429 WeakPolarHBondContact CE-O 3.42Å; K41-M429 WeakPolarHBondContact CG-O 3.31Å; I427-M429 HydrophobicContact CG2-CG 4.41Å; M429-D441 HydrophobicContact CE-CB 4.34Å; M429-D441 WeakPolarHBondContact CE-OD1 3.48Å
430	Q	26.8	Very low	26.9	Very low	116 Å²	116	137.7 Å²	137.7	54%	0.542	74%	0.739	S	S	.	*			trans	-132	117.6	161.3	21.9	176.3	-51.3	0	0	110.8	K41 N428	K41-Q430 HydrophobicContact CD-CB 4.04Å; K41-Q430 VanDerWaalsContact CE-CB 3.48Å; K41-Q430 VanDerWaalsContact NZ-CG 3.34Å; N428-Q430 PolarHBondContact O-N 3.12Å
431	H	27.9	Very low	27.1	Very low	170 Å²	170	135 Å²	135	79%	0.787	72%	0.724	S	S	*	*				-176.1	154.4	112.5	-103.1	65.5	0	0	0	113.8
432	L	25	Very low	27	Very low	140 Å²	140	134 Å²	134	73%	0.733	72%	0.716	S	S	*	*			trans	-78	151.7	-173.6	-91.1	80.7	0	0	0	114.6
433	H	26.6	Very low	27	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.727	70%	0.704	S	S	*	*			trans	65.9	122.5	137.3	-71.4	61.9	0	0	0	121.2
434	N	24.7	Very low	26.9	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	69%	0.689	S	S	*	*			trans	59.8	118	148.7	-80.1	0.3	0	0	0	118.9
435	T	24.3	Very low	26.8	Very low	123 Å²	123	124 Å²	124	76%	0.755	67%	0.672	S	S	*	*			trans	95.8	101.7	148.6	-28.2	0	0	0	0	115.2
436	T	24	Very low	26.6	Very low	121 Å²	121	119.3 Å²	119.3	74%	0.742	66%	0.658	S	S	*	*			trans	45.7	127.4	145.3	-25.3	0	0	0	0	118.2
437	I	25.7	Very low	26.4	Very low	143 Å²	143	118.2 Å²	118.2	73%	0.733	65%	0.647	S	S	*	*			trans	112.6	108.6	158	-57.6	158.3	0	0	0	112.2
438	N	25.3	Very low	26.2	Very low	122 Å²	122	115.3 Å²	115.3	65%	0.652	63%	0.632	S	S	*	*			trans	36.6	106.5	144.6	-51.6	-13.7	0	0	0	116.7
439	N	26	Very low	26.2	Very low	134 Å²	134	114.3 Å²	114.3	72%	0.717	63%	0.63	S	S	*	*				161.9	128	116.8	-75.1	-18.7	0	0	0	109
440	D	27.4	Very low	26.2	Very low	145 Å²	145	116 Å²	116	78%	0.775	64%	0.641	S	S	*	*			trans	45.6	76	147.1	-46.3	-27.5	0	0	0	118.1
441	D	27.5	Very low	26.4	Very low	107 Å²	107	117.2 Å²	117.2	57%	0.572	65%	0.651	S	S	*	*			trans	-131.7	122.3	161.1	-78.5	-35.5	0	0	0	109.3	M429 I443	M429-D441 HydrophobicContact CE-CB 4.34Å; M429-D441 WeakPolarHBondContact CE-OD1 3.48Å; D441-I443 PolarHBondContact O-N 3.03Å
442	C	28.3	Very low	26.4	Very low	90 Å²	90	115.3 Å²	115.3	61%	0.608	65%	0.646	S	S	*	*			trans	-61.2	106.9	172.8	-177.2	0	0	0	0	109.2	V444	C442-V444 PolarHBondContact O-N 3.27Å
443	I	26.1	Very low	26.6	Very low	99 Å²	99	115.8 Å²	115.8	51%	0.508	65%	0.65	S	S	.	*			trans	-82.4	103	173.5	-52.4	179.4	0	0	0	107.5	D441 T445	D441-I443 PolarHBondContact O-N 3.03Å; I443-T445 HydrophobicContact CB-CG2 4.44Å; I443-T445 HydrophobicContact CG2-CG2 3.46Å; I443-T445 VanDerWaalsContact CG2-CG2 3.46Å; I443-T445 PolarHBondContact O-N 2.98Å
444	V	28.3	Very low	26.7	Very low	77 Å²	77	116.7 Å²	116.7	47%	0.467	66%	0.659	S	S	.	*			trans	-68.9	89	160.8	-178.5	0	0	0	0	106.9	C442 G446	C442-V444 PolarHBondContact O-N 3.27Å; V444-G446 PolarHBondContact O-N 2.96Å
445	T	26.4	Very low	26.9	Very low	75 Å²	75	115.1 Å²	115.1	46%	0.46	65%	0.654	S	S	.	*			trans	-80.7	96.3	166.8	45.4	0	0	0	0	108	I443 T447	I443-T445 HydrophobicContact CB-CG2 4.44Å; I443-T445 HydrophobicContact CG2-CG2 3.46Å; I443-T445 VanDerWaalsContact CG2-CG2 3.46Å; I443-T445 PolarHBondContact O-N 2.98Å; T445-T447 PolarHBondContact O-N 2.72Å; T445-T447 VanDerWaalsContact O-N 3.09Å
446	G	25	Very low	27	Very low	51 Å²	51	116 Å²	116	53%	0.526	65%	0.654	S	S	.	*			trans	-67.8	99	161.6	0	0	0	0	0	108.6	V444 I448	V444-G446 PolarHBondContact O-N 2.96Å; G446-I448 PolarHBondContact O-N 2.79Å
447	T	25.3	Very low	27.3	Very low	98 Å²	98	116.2 Å²	116.2	60%	0.601	66%	0.655	S	S	*	*			trans	-79.5	101.7	165.9	54.4	0	0	0	0	108.2	T445 T449	T445-T447 PolarHBondContact O-N 2.72Å; T445-T447 VanDerWaalsContact O-N 3.09Å; T447-T449 PolarHBondContact O-N 2.98Å
448	I	25.1	Very low	27.5	Very low	90 Å²	90	114.4 Å²	114.4	46%	0.462	65%	0.65	S	S	.	*			trans	-71.5	112.4	160.5	-71.5	170.5	0	0	0	106.5	A31 G446 D450	A31-I448 HydrophobicContact CB-CD1 3.69Å; G446-I448 PolarHBondContact O-N 2.79Å; I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 HydrophobicContact CG2-CB 3.9Å; I448-D450 WeakPolarHBondContact CG2-OD1 3.49Å; I448-D450 WeakPolarHBondContact CG2-OD2 3.36Å; I448-D450 PolarHBondContact O-N 3.15Å
449	T	27.2	Very low	27.9	Very low	99 Å²	99	113.8 Å²	113.8	61%	0.607	65%	0.651	S	S	*	*			trans	-87.2	77	160.6	54.5	0	0	0	0	107.6	T447 L451	T447-T449 PolarHBondContact O-N 2.98Å; T449-L451 VanDerWaalsContact C-N 3.29Å; T449-L451 PolarHBondContact O-N 3.37Å; T449-L451 VanDerWaalsContact O-N 3.16Å
450	D	27.2	Very low	28.1	Very low	135 Å²	135	114.3 Å²	114.3	72%	0.722	65%	0.654	S	S	*	*			trans	-75.3	93.9	156.6	-75.8	-17.2	0	0	0	105.6	I448 D452	I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 HydrophobicContact CG2-CB 3.9Å; I448-D450 WeakPolarHBondContact CG2-OD1 3.49Å; I448-D450 WeakPolarHBondContact CG2-OD2 3.36Å; I448-D450 PolarHBondContact O-N 3.15Å; D450-D452 VanDerWaalsContact C-N 3.27Å
451	L	31.2	Very low	28.5	Very low	142 Å²	142	114.8 Å²	114.8	74%	0.743	66%	0.656	S	S	*	*			trans	-99.8	35.4	168.3	-87.6	167.7	0	0	0	110.2	T449	T449-L451 VanDerWaalsContact C-N 3.29Å; T449-L451 PolarHBondContact O-N 3.37Å; T449-L451 VanDerWaalsContact O-N 3.16Å
452	D	28.9	Very low	28.9	Very low	129 Å²	129	113.1 Å²	113.1	69%	0.69	66%	0.664	S	S	*	*			trans	-114.3	85.7	169.2	-68.1	-30.7	0	0	0	108.1	D450	D450-D452 VanDerWaalsContact C-N 3.27Å
453	N	28.7	Very low	29.3	Very low	150 Å²	150	115.9 Å²	115.9	80%	0.802	67%	0.673	S	S	*	*			trans	149.2	60.8	159.2	-76.2	-32.1	0	0	0	111.7
454	L	27.7	Very low	30	Very low	176 Å²	176	117.3 Å²	117.3	92%	0.921	68%	0.682	S	S	*	*			trans	-105.9	74.7	149.4	-154.1	76	0	0	0	108.1
455	V	29.2	Very low	30.7	Very low	111 Å²	111	119.1 Å²	119.1	67%	0.673	69%	0.693	S	S	*	*			trans	-68	133	157.8	176.8	0	0	0	0	107	V457	V455-V457 PolarHBondContact O-N 3.48Å
456	D	26.7	Very low	31.4	Very low	142 Å²	142	121.8 Å²	121.8	76%	0.759	70%	0.704	S	S	*	*			trans	-34.2	118.6	175.8	-74.5	-49.7	0	0	0	113.7
457	V	29.8	Very low	32.2	Very low	126 Å²	126	127.1 Å²	127.1	76%	0.764	72%	0.715	S	S	*	*			trans	-106.5	83.9	154.8	-177.4	0	0	0	0	106.6	V455 V459	V455-V457 PolarHBondContact O-N 3.48Å; V457-V459 HydrophobicContact CG1-CG2 3.95Å; V457-V459 PolarHBondContact O-N 3.16Å
458	V	29.9	Very low	32.9	Very low	104 Å²	104	128.6 Å²	128.6	63%	0.63	72%	0.72	S	S	*	*			trans	-67.5	107.1	158.7	175.8	0	0	0	0	106.6	N460	V458-N460 PolarHBondContact O-N 3.09Å
459	V	33.4	Very low	33.7	Very low	109 Å²	109	130.9 Å²	130.9	66%	0.661	73%	0.733	S	S	*	*			trans	-82.3	97.7	164.8	-175.5	0	0	0	0	106.7	V457	V457-V459 HydrophobicContact CG1-CG2 3.95Å; V457-V459 PolarHBondContact O-N 3.16Å
460	N	30.7	Very low	34.4	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	74%	0.739	S	S	*	*			trans	-84.4	106.7	162.1	-85.8	-19.5	0	0	0	108	V458	V458-N460 PolarHBondContact O-N 3.09Å
461	D	35.4	Very low	35.2	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	75%	0.747	S	S	*	*			trans	-118.6	114.3	158.4	-88.6	-32.9	0	0	0	107.3
462	G	35.9	Very low	35.9	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	75%	0.75	S	S	*	*			trans	140.6	86.5	162.8	0	0	0	0	0	116.2
463	N	37.4	Very low	36.7	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	75%	0.748	S	S	*	*			trans	68.2	146.6	134.4	-116.1	44.9	0	0	0	121
464	D	41	Very low	37.2	Very low	129 Å²	129	138 Å²	138	69%	0.69	74%	0.744	S	S	*	*			trans	97.7	88.7	155.6	-57.6	-18.9	0	0	0	116.8
465	V	43.7	Very low	37.7	Very low	115 Å²	115	135.9 Å²	135.9	70%	0.697	73%	0.733	S	S	*	*				74.3	127.8	102.8	-110.3	0	0	0	0	116.9
466	D	40.4	Very low	38.1	Very low	132 Å²	132	137.5 Å²	137.5	71%	0.706	74%	0.738	S	S	*	*			trans	61.8	116.7	149.5	-50.6	-30.2	0	0	0	117.8
467	E	41.3	Very low	38.7	Very low	162 Å²	162	138.7 Å²	138.7	76%	0.757	74%	0.743	S	S	*	*				123	132	62.2	-98	-169.1	174.7	0	0	106.2
468	D	40.5	Very low	39.2	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	74%	0.741	S	S	*	*			trans	78.7	131.9	149.2	-56.2	-18.4	0	0	0	124.3
469	D	42	Very low	39.5	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	75%	0.753	S	S	*	*			trans	81.9	106.7	143.4	-58.9	-19	0	0	0	122.6
470	D	42.4	Very low	39.8	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	76%	0.764	S	S	*	*				32.3	120.1	123	-61.7	-27.9	0	0	0	119.8
471	D	44.1	Very low	39.8	Very low	164 Å²	164	146.6 Å²	146.6	88%	0.877	77%	0.767	S	S	*	*				166.4	152	108.2	-90.6	-33.9	0	0	0	113.5
472	E	44.7	Very low	39.7	Very low	174 Å²	174	143 Å²	143	81%	0.813	77%	0.766	S	S	*	*			trans	-64	152	-175.2	-57.3	179.1	156.6	0	0	115.4
473	E	45.4	Very low	39.7	Very low	139 Å²	139	148.6 Å²	148.6	65%	0.65	77%	0.773	S	S	*	*				143.7	114.6	126.3	-78.3	-153	129.6	0	0	114.8
474	R	39	Very low	39.5	Very low	190 Å²	190	147.9 Å²	147.9	72%	0.717	77%	0.768	S	S	*	*				64.2	117.8	126.4	-63.5	-175	-165.2	-128.5	-2.2	120.5
475	N	39.5	Very low	39.1	Very low	131 Å²	131	148 Å²	148	70%	0.701	77%	0.768	S	S	*	*				95	130	128.4	-62.6	-16.3	0	0	0	119.5
476	N	37.6	Very low	38.7	Very low	145 Å²	145	149 Å²	149	78%	0.775	77%	0.77	S	S	*	*			trans	79.7	83.2	151.6	-57.2	-15.1	0	0	0	117.5
477	I	39.2	Very low	38.4	Very low	167 Å²	167	148.8 Å²	148.8	86%	0.856	77%	0.768	S	S	*	*			trans	-111.9	117.8	146.7	-66.5	176.3	0	0	0	108.3
478	I	40.1	Very low	38.2	Very low	142 Å²	142	145 Å²	145	73%	0.728	75%	0.753	S	S	*	*			trans	-70.6	119.8	178.6	-67.4	165.3	0	0	0	108.2	R480	I478-R480 HydrophobicContact CG2-CG 4.44Å; I478-R480 PolarHBondContact O-N 3.48Å
479	H	35.3	Very low	37.8	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.875	76%	0.758	S	S	*	*			trans	-64.6	113.1	161.3	-83.8	-84.6	0	0	0	109.2
480	R	40.6	Very low	37.2	Very low	239 Å²	239	146.2 Å²	146.2	90%	0.902	76%	0.761	S	S	*	*			trans	-102.9	108	148.8	-67.5	-172.9	178.1	-161.6	0.7	104	I478	I478-R480 HydrophobicContact CG2-CG 4.44Å; I478-R480 PolarHBondContact O-N 3.48Å
481	G	30.8	Very low	36.7	Very low	81 Å²	81	145.7 Å²	145.7	84%	0.835	76%	0.755	S	S	*	*				104.1	84.5	57.9	0	0	0	0	0	106.4
482	G	32.2	Very low	35.8	Very low	78 Å²	78	141.2 Å²	141.2	80%	0.804	75%	0.748	S	S	*	*			trans	-176.8	61.8	-176.3	0	0	0	0	0	108.3
483	E	36.3	Very low	35.1	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.883	75%	0.747	S	S	*	*			trans	-68.3	137.4	178.5	-73.2	-178.6	156.3	0	0	110.6
484	L	32.7	Very low	34.3	Very low	133 Å²	133	141.1 Å²	141.1	70%	0.696	75%	0.754	S	S	*	*			trans	-52.8	135	167.4	-73.5	94	0	0	0	110.1
485	L	34.4	Very low	33.6	Very low	132 Å²	132	139.7 Å²	139.7	69%	0.691	76%	0.761	S	S	*	*			trans	-111	95.1	161.1	-73.7	176	0	0	0	108.6	D487	L485-D487 VanDerWaalsContact C-N 3.31Å; L485-D487 PolarHBondContact O-N 3.46Å
486	D	34.8	Very low	33.2	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	76%	0.763	S	S	*	*			trans	-71.1	84.2	157.9	-63.5	-32.1	0	0	0	108.5	N488	D486-N488 PolarHBondContact O-N 3.22Å; D486-N488 VanDerWaalsContact O-N 3.12Å
487	D	33.4	Very low	32.6	Very low	127 Å²	127	138.6 Å²	138.6	68%	0.679	76%	0.764	S	S	*	*			trans	-88.9	69.7	168.9	-76.2	-8.7	0	0	0	109.3	L485	L485-D487 VanDerWaalsContact C-N 3.31Å; L485-D487 PolarHBondContact O-N 3.46Å
488	N	37.6	Very low	32.2	Very low	82 Å²	82	137 Å²	137	44%	0.439	76%	0.762	S	S	.	*			trans	-110.1	114.8	165.2	-116.2	5.3	0	0	0	109.9	T24 D486	T24-N488 WeakPolarHBondContact CB-ND2 3.47Å; T24-N488 WeakPolarHBondContact CG2-OD1 3.34Å; T24-N488 PolarHBondContact OG1-ND2 2.91Å; T24-N488 PolarHBondContact OG1-OD1 3.25Å; D486-N488 PolarHBondContact O-N 3.22Å; D486-N488 VanDerWaalsContact O-N 3.12Å
489	S	32.5	Very low	31.6	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	76%	0.762	S	S	*	*			trans	73.4	145.2	161.1	76.1	0	0	0	0	118.9
490	F	28.5	Very low	31.5	Very low	182 Å²	182	136 Å²	136	80%	0.798	76%	0.76	S	S	*	*			trans	98.1	84.7	150.9	-129.8	-111.1	0	0	0	118.2
491	M	31.3	Very low	31.2	Very low	127 Å²	127	134.9 Å²	134.9	63%	0.626	76%	0.757	S	S	*	*				164.6	122.1	96.1	-86	-151.7	-75.6	0	0	111.6	F493	M491-F493 HydrophobicContact CB-CE2 4.37Å; M491-F493 HydrophobicContact CE-CE2 3.93Å; M491-F493 HydrophobicContact SD-CD2 4.49Å; M491-F493 HydrophobicContact SD-CE2 3.5Å; M491-F493 VanDerWaalsContact SD-CE2 3.5Å; M491-F493 HydrophobicContact SD-CZ 3.96Å
492	G	25.6	Very low	31.2	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	75%	0.752	S	S	*	*			trans	-72.1	139.2	157.2	0	0	0	0	0	110.9
493	F	29.7	Very low	31.3	Very low	180 Å²	180	142.5 Å²	142.5	79%	0.789	75%	0.748	S	S	*	*			trans	-138.8	104.2	148.9	-78.7	-71.2	0	0	0	108.4	M491	M491-F493 HydrophobicContact CB-CE2 4.37Å; M491-F493 HydrophobicContact CE-CE2 3.93Å; M491-F493 HydrophobicContact SD-CD2 4.49Å; M491-F493 HydrophobicContact SD-CE2 3.5Å; M491-F493 VanDerWaalsContact SD-CE2 3.5Å; M491-F493 HydrophobicContact SD-CZ 3.96Å
494	T	29.1	Very low	31.3	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	74%	0.739	S	S	*	*			trans	-74.2	130.4	160.8	46.2	0	0	0	0	108.3
495	N	24.4	Very low	31.4	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	74%	0.736	S	S	*	*			trans	-107.1	93.1	170.2	-130.9	-6.8	0	0	0	107
496	T	30.8	Very low	31.5	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	74%	0.74	S	S	*	*			trans	-129.7	99.9	166.7	22.6	0	0	0	0	109.3	T498	T496-T498 PolarHBondContact O-N 3.26Å
497	T	24.9	Very low	31.6	Very low	131 Å²	131	140.5 Å²	140.5	80%	0.804	74%	0.74	S	S	*	*			trans	-49.2	116.8	163.5	-58.4	0	0	0	0	110.4
498	T	31.9	Very low	31.7	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	74%	0.74	S	S	*	*			trans	-147.4	119	149	-46.1	0	0	0	0	108.6	T496	T496-T498 PolarHBondContact O-N 3.26Å
499	Q	27.9	Very low	31.8	Very low	156 Å²	156	141.6 Å²	141.6	73%	0.729	76%	0.757	S	S	*	*			trans	-67.6	136.3	171.5	-65.8	-170.7	-13.4	0	0	110
500	N	32.4	Very low	32.5	Very low	155 Å²	155	143.4 Å²	143.4	83%	0.829	76%	0.757	S	S	*	*				-179	147.4	122.9	-87.2	-30.4	0	0	0	112.3
501	Y	33.8	Very low	33.7	Very low	215 Å²	215	142.5 Å²	142.5	84%	0.843	76%	0.76	S	S	*	*			trans	-76	139.1	-162.8	-86.4	-104.9	0	0	0	116.2
502	Y	30.7	Very low	34.5	Very low	187 Å²	187	143.6 Å²	143.6	73%	0.733	77%	0.769	S	S	*	*			trans	24.7	122.4	134.2	-94.9	-83.2	0	0	0	121.3
503	N	35.5	Very low	35.9	Very low	133 Å²	133	149 Å²	149	71%	0.711	78%	0.775	S	S	*	*				168.5	120.8	96.6	-92.8	-42.4	0	0	0	112.7
504	D	36.4	Very low	36.9	Very low	129 Å²	129	146.9 Å²	146.9	69%	0.69	77%	0.772	S	S	*	*			trans	34.1	115.6	138.5	-57.6	-19.9	0	0	0	121.9
505	V	35.1	Very low	38	Very low	106 Å²	106	147 Å²	147	64%	0.642	77%	0.772	S	S	*	*				67	115	93.7	-165.1	0	0	0	0	114.1
506	F	35.3	Very low	39.3	Very low	175 Å²	175	148.5 Å²	148.5	77%	0.768	80%	0.796	S	S	*	*				167.7	124.2	116.7	-100	-79	0	0	0	112.5
507	N	36.4	Very low	39.7	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	80%	0.799	S	S	*	*			trans	32.6	122.4	139.1	-66.2	-2.8	0	0	0	119.2
508	A	35.5	Very low	40.5	Very low	82 Å²	82	150.9 Å²	150.9	68%	0.678	80%	0.798	S	S	*	*				112.7	154.5	63.8	0	0	0	0	0	108.4
509	D	40.2	Very low	40.9	Very low	150 Å²	150	151.9 Å²	151.9	80%	0.802	80%	0.798	S	S	*	*			trans	93.1	91.8	169.6	-49.7	-16.9	0	0	0	116.8
510	I	48.3	Very low	41.7	Very low	152 Å²	152	151.6 Å²	151.6	78%	0.779	80%	0.802	S	S	*	*			trans	-132	102.6	143.6	-69.2	-179.2	0	0	0	106.5
511	D	53.2	Low	42.3	Very low	163 Å²	163	151.4 Å²	151.4	87%	0.872	80%	0.8	S	S	*	*			trans	-93	124	157.8	-75.8	-39.8	0	0	0	107.5
512	D	47.3	Very low	42.9	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	80%	0.797	S	S	*	*			trans	-89.3	120.8	167.9	-81.3	-44.4	0	0	0	109.2
513	E	55.7	Low	43.7	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	80%	0.801	S	S	*	*			trans	-141.3	113.2	151.4	-94.7	-156.1	-179.9	0	0	110.8
514	D	49.8	Very low	44.4	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	81%	0.808	S	S	*	*				63	140.6	128.2	-79.6	-14.4	0	0	0	124.1
515	T	52.1	Low	45	Very low	132 Å²	132	146.6 Å²	146.6	81%	0.81	82%	0.818	S	S	*	*			trans	87.5	94.4	152.6	65.4	0	0	0	0	119.5
516	S	51.8	Low	46	Very low	194 Å²	194	150.3 Å²	150.3	100%	1.357	83%	0.834	S	S	*	*				176.1	0	103.1	66	0	0	0	0	112

Retrieved 516 of 516 residues in 509.2 ms (Link to these results)

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