A0A087XEB0_POEFO Loading...

Sialic acid acetylesterase

AlphaFold DB , UniProt , Accession A0A087XEB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 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	39.5	Very low	33.4	Very low	242 Å²	242	150.3 Å²	150.3	100%	1.192	81%	0.812	S	S	*	*				0	90	0	-161.5	172.6	173.7	0	0	107
2	A	30.6	Very low	33.8	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	80%	0.798	S	S	*	*			trans	-138.2	106.1	176.3	0	0	0	0	0	106
3	L	31.8	Very low	34	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	79%	0.79	S	S	*	*			trans	-78.2	117.7	174.8	-112.6	82.2	0	0	0	107.6	F5	L3-F5 HydrophobicContact CD2-CE2 4.38Å
4	I	30.7	Very low	34.2	Very low	151 Å²	151	142.1 Å²	142.1	77%	0.774	80%	0.799	S	S	*	*			trans	-88	107.6	166	-66.4	173.8	0	0	0	106.2	V6	I4-V6 HydrophobicContact CG2-CG2 4.16Å; I4-V6 PolarHBondContact O-N 3.02Å
5	F	31.5	Very low	34.9	Very low	176 Å²	176	142.7 Å²	142.7	77%	0.772	79%	0.793	S	S	*	*			trans	-74.7	104.6	167.9	-113.1	-94.1	0	0	0	107.7	L3 V7	L3-F5 HydrophobicContact CD2-CE2 4.38Å; F5-V7 PolarHBondContact O-N 3.22Å
6	V	32	Very low	35.2	Very low	117 Å²	117	144 Å²	144	71%	0.709	80%	0.798	S	S	*	*			trans	-79.4	104.2	167.3	177	0	0	0	0	106.8	I4 V8	I4-V6 HydrophobicContact CG2-CG2 4.16Å; I4-V6 PolarHBondContact O-N 3.02Å; V6-V8 HydrophobicContact CG1-CG2 4.29Å; V6-V8 PolarHBondContact O-N 2.84Å
7	V	31.6	Very low	35.9	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.685	79%	0.785	S	S	*	*			trans	-74.3	103.4	168.1	175.1	0	0	0	0	106.9	F5 M9	F5-V7 PolarHBondContact O-N 3.22Å; V7-M9 PolarHBondContact O-N 3.22Å
8	V	34.5	Very low	37.2	Very low	114 Å²	114	140.1 Å²	140.1	69%	0.691	78%	0.781	S	S	*	*			trans	-73.9	100.1	167.6	177.6	0	0	0	0	106.8	V6 L10	V6-V8 HydrophobicContact CG1-CG2 4.29Å; V6-V8 PolarHBondContact O-N 2.84Å; V8-L10 PolarHBondContact O-N 3.14Å
9	M	34.5	Very low	38.9	Very low	162 Å²	162	133.9 Å²	133.9	80%	0.798	75%	0.753	S	S	*	*			trans	-68.8	110.3	164	-82.7	-168.1	-172.8	0	0	107.7	V7 L11	V7-M9 PolarHBondContact O-N 3.22Å; M9-L11 PolarHBondContact O-N 2.87Å; M9-L11 VanDerWaalsContact O-N 3.09Å
10	L	34.8	Very low	41.3	Very low	161 Å²	161	131.6 Å²	131.6	84%	0.843	74%	0.741	S	S	*	*			trans	-62.9	105.7	158.6	-90.5	98.2	0	0	0	107.6	V8 A12	V8-L10 PolarHBondContact O-N 3.14Å; L10-A12 VanDerWaalsContact C-N 3.26Å; L10-A12 PolarHBondContact O-N 2.93Å
11	L	35.8	Very low	43.9	Very low	172 Å²	172	125.9 Å²	125.9	90%	0.901	71%	0.709	S	S	*	*			trans	-69.5	91.1	160	-86.7	145.6	0	0	0	107	M9 A13	M9-L11 PolarHBondContact O-N 2.87Å; M9-L11 VanDerWaalsContact O-N 3.09Å; L11-A13 PolarHBondContact O-N 2.84Å
12	A	38.2	Very low	46.7	Very low	77 Å²	77	118.9 Å²	118.9	64%	0.636	67%	0.67	S	S	*	*			trans	-61.3	120.9	158.6	0	0	0	0	0	106.7	L10 L14	L10-A12 VanDerWaalsContact C-N 3.26Å; L10-A12 PolarHBondContact O-N 2.93Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 2.86Å
13	A	36.1	Very low	49.9	Very low	85 Å²	85	115 Å²	115	70%	0.702	64%	0.635	S	S	*	*			trans	-58.5	102.8	167.6	0	0	0	0	0	107.3	L11 H15	L11-A13 PolarHBondContact O-N 2.84Å; A13-H15 VanDerWaalsContact C-N 3.29Å; A13-H15 PolarHBondContact O-N 2.95Å
14	L	36.8	Very low	53	Low	175 Å²	175	107.9 Å²	107.9	92%	0.916	60%	0.598	S	S	*	*			trans	-62.4	97.7	168.7	-75.3	159.9	0	0	0	106	A12 D16	A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 2.86Å; L14-D16 PolarHBondContact O-N 2.78Å
15	H	45.2	Very low	56.2	Low	151 Å²	151	103 Å²	103	70%	0.699	58%	0.577	S	S	*	*			trans	-61.8	134.8	163	-91.6	67.3	0	0	0	107.4	A13 S17	A13-H15 VanDerWaalsContact C-N 3.29Å; A13-H15 PolarHBondContact O-N 2.95Å; H15-S17 VanDerWaalsContact C-N 3.31Å; H15-S17 PolarHBondContact O-N 3.35Å
16	D	39.8	Very low	59.3	Low	163 Å²	163	94.6 Å²	94.6	87%	0.872	54%	0.54	S	S	*	.			trans	-62.1	89	-179.7	-150.8	6.7	0	0	0	109.4	L14 D18	L14-D16 PolarHBondContact O-N 2.78Å; D16-D18 PolarHBondContact O-N 2.87Å
17	S	47.3	Very low	62.5	Low	83 Å²	83	89.9 Å²	89.9	58%	0.58	51%	0.51	S	S	*	.			trans	-90.3	79.1	173.3	71.9	0	0	0	0	107.9	H15 G19	H15-S17 VanDerWaalsContact C-N 3.31Å; H15-S17 PolarHBondContact O-N 3.35Å; S17-G19 PolarHBondContact O-N 2.82Å
18	D	59.4	Low	65.6	Low	135 Å²	135	85.5 Å²	85.5	72%	0.722	49%	0.487	S	S	*	.			trans	-67.5	14.5	174.1	-156.7	20.2	0	0	0	112.5	D16 T20	D16-D18 PolarHBondContact O-N 2.87Å; D18-T20 PolarHBondContact O-N 3.46Å; D18-T20 PolarHBondContact O-OG1 2.86Å
19	G	68.3	Low	68.7	Low	23 Å²	23	83.2 Å²	83.2	24%	0.237	47%	0.471	C	S	.	.			trans	62.5	-5.1	179	0	0	0	0	0	115.4	S17 L21 G46 S47	S17-G19 PolarHBondContact O-N 2.82Å; G19-L21 PolarHBondContact O-N 2.87Å; G19-G46 CarbonylContact O-C 3.55Å; G19-S47 PolarHBondContact O-N 3.32Å; G19-S47 PolarHBondContact O-OG 3.41Å
20	T	88.5	Confident	71.7	Confident	86 Å²	86	78.9 Å²	78.9	53%	0.528	45%	0.449	S	S	.	.			trans	-70.6	122.2	-168.7	-63.7	0	0	0	0	110.9	D18 R22	D18-T20 PolarHBondContact O-N 3.46Å; D18-T20 PolarHBondContact O-OG1 2.86Å; T20-R22 PolarHBondContact O-N 2.82Å; T20-R22 VanDerWaalsContact O-N 3.17Å
21	L	95.9	Very high	74.8	Confident	13 Å²	13	71.3 Å²	71.3	7%	0.068	41%	0.409	C	S	.	.			trans	-63.9	113.3	176.5	-175.8	69.8	0	0	0	110.8	G19 Y45 V52 A92 A94 S97	G19-L21 PolarHBondContact O-N 2.87Å; L21-Y45 VanDerWaalsContact CA-O 3.3Å; L21-Y45 WeakPolarHBondContact CA-O 3.5Å; L21-V52 HydrophobicContact CD1-CG1 4.08Å; L21-V52 HydrophobicContact CD1-CG2 3.79Å; L21-A92 WeakPolarHBondContact CD2-O 3.11Å; L21-A94 HydrophobicContact CD1-CB 4.15Å; L21-A94 HydrophobicContact CD2-CB 3.92Å; L21-S97 WeakPolarHBondContact CD2-O 3.35Å
22	R	96.7	Very high	77.8	Confident	95 Å²	95	63.1 Å²	63.1	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.9	176.3	64.1	175.6	-176.2	89.4	-5.3	111.8	T20 G44 Y45 W75 D157	T20-R22 PolarHBondContact O-N 2.82Å; T20-R22 VanDerWaalsContact O-N 3.17Å; R22-G44 CarbonylContact O-C 3.54Å; R22-G44 VanDerWaalsContact O-CA 3.26Å; R22-G44 WeakPolarHBondContact O-CA 3.39Å; R22-Y45 HydrophobicContact CG-CD2 4.27Å; R22-Y45 VanDerWaalsContact CZ-CE2 3.48Å; R22-Y45 PolarHBondContact N-O 3.38Å; R22-Y45 VanDerWaalsContact NH1-CD2 3.28Å; R22-Y45 PolarHBondContact O-N 2.92Å; R22-W75 PolarHBondContact O-NE1 2.91Å; R22-D157 IonicContact NH1-OD2 3.94Å
23	F	98.1	Very high	80.7	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	160.8	164.8	-66	-89.4	0	0	0	111	Y27 W75 I90 A92 S99 L101	F23-Y27 HydrophobicContact CB-CD2 3.94Å; F23-Y27 HydrophobicContact CB-CG 4.14Å; F23-Y27 HydrophobicContact CD1-CD2 4.38Å; F23-Y27 HydrophobicContact CD1-CG 4.39Å; F23-W75 AromaticContact CD1-CH2 3.55Å; F23-W75 HydrophobicContact CD1-CH2 3.55Å; F23-W75 AromaticContact CD1-CZ2 3.85Å; F23-W75 HydrophobicContact CD1-CZ2 3.85Å; F23-W75 AromaticContact CE1-CH2 3.49Å; F23-W75 HydrophobicContact CE1-CH2 3.49Å; F23-W75 VanDerWaalsContact CE1-CH2 3.49Å; F23-W75 HydrophobicContact CE1-CZ2 4.07Å; F23-W75 HydrophobicContact CG-CH2 4.43Å; F23-W75 HydrophobicContact CG-CZ2 4.3Å; F23-W75 HydrophobicContact CZ-CH2 4.31Å; F23-I90 HydrophobicContact CE1-CG2 4.2Å; F23-I90 HydrophobicContact CZ-CG2 3.86Å; F23-A92 HydrophobicContact CE1-CB 4.32Å; F23-A92 HydrophobicContact CE2-CB 3.97Å; F23-A92 HydrophobicContact CZ-CB 3.68Å; F23-S99 WeakPolarHBondContact CD2-OG 3.44Å; F23-L101 HydrophobicContact CD1-CD1 4Å; F23-L101 HydrophobicContact CD2-CD1 4.25Å; F23-L101 HydrophobicContact CD2-CD2 4.01Å; F23-L101 HydrophobicContact CD2-CG 3.92Å; F23-L101 HydrophobicContact CE1-CD1 3.94Å; F23-L101 HydrophobicContact CE1-CG 4.44Å; F23-L101 HydrophobicContact CE2-CD1 4.22Å; F23-L101 HydrophobicContact CE2-CD2 4.38Å; F23-L101 HydrophobicContact CE2-CG 3.82Å; F23-L101 HydrophobicContact CG-CD1 4.17Å; F23-L101 HydrophobicContact CG-CD2 4.35Å; F23-L101 HydrophobicContact CG-CG 4.31Å; F23-L101 HydrophobicContact CZ-CD1 4.08Å; F23-L101 HydrophobicContact CZ-CG 4.11Å
24	A	97.8	Very high	83.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.304	C	S	.	.			trans	-59.8	155.5	168.4	0	0	0	0	0	112	Y26 Y27 W43 D157	A24-Y26 HydrophobicContact CB-CE1 4.31Å; A24-Y26 PolarHBondContact O-N 2.86Å; A24-Y26 VanDerWaalsContact O-N 3.07Å; A24-Y27 HydrophobicContact CB-CD2 3.81Å; A24-Y27 HydrophobicContact CB-CE2 3.91Å; A24-Y27 PolarHBondContact O-N 3.12Å; A24-W43 HydrophobicContact CB-CD2 3.73Å; A24-W43 HydrophobicContact CB-CE3 3.99Å; A24-W43 HydrophobicContact CB-CG 4.47Å; A24-W43 HydrophobicContact CB-CH2 3.56Å; A24-W43 HydrophobicContact CB-CZ2 3.25Å; A24-W43 HydrophobicContact CB-CZ3 3.91Å; A24-W43 PolarHBondContact N-O 2.85Å; A24-W43 VanDerWaalsContact N-O 3.08Å; A24-D157 WeakPolarHBondContact CA-OD2 3.4Å
25	S	97.3	Very high	86.6	Confident	48 Å²	48	48.4 Å²	48.4	34%	0.336	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.4	-165.1	-63.5	0	0	0	0	114.8	D157 L158	S25-D157 VanDerWaalsContact CB-OD1 3.28Å; S25-D157 WeakPolarHBondContact CB-OD1 3.45Å; S25-D157 VanDerWaalsContact N-CG 3.31Å; S25-D157 PolarHBondContact N-OD1 3.22Å; S25-D157 PolarHBondContact N-OD2 2.98Å; S25-D157 PolarHBondContact OG-OD2 3.07Å; S25-L158 PolarHBondContact OG-O 2.77Å
26	Y	96.8	Very high	89.1	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.7	179.3	62.5	-103.9	0	0	0	114.7	A24 W43 W165 P255 F256 M259	A24-Y26 HydrophobicContact CB-CE1 4.31Å; A24-Y26 PolarHBondContact O-N 2.86Å; A24-Y26 VanDerWaalsContact O-N 3.07Å; Y26-W43 AromaticContact CE1-CZ2 3.96Å; Y26-W43 HydrophobicContact CE1-CZ2 3.96Å; Y26-W43 AromaticContact CE1-NE1 3.79Å; Y26-W43 AromaticContact CZ-NE1 3.45Å; Y26-W43 PolarHBondContact OH-NE1 2.99Å; Y26-W165 VanDerWaalsContact O-CD1 3.3Å; Y26-W165 PolarHBondContact O-NE1 2.77Å; Y26-P255 WeakPolarHBondContact CE1-O 3.5Å; Y26-F256 HydrophobicContact CD1-CD1 4.01Å; Y26-F256 HydrophobicContact CD1-CE1 4.2Å; Y26-F256 HydrophobicContact CE1-CD1 4.38Å; Y26-F256 HydrophobicContact CG-CD1 4.1Å; Y26-F256 HydrophobicContact CG-CE1 4.06Å; Y26-M259 HydrophobicContact CD2-CE 3.36Å; Y26-M259 HydrophobicContact CE2-CB 4.16Å; Y26-M259 HydrophobicContact CE2-CE 3.53Å; Y26-M259 HydrophobicContact CG-CE 4.14Å; Y26-M259 PolarHBondContact OH-N 3.4Å
27	Y	98.4	Very high	91.9	Very high	18 Å²	18	39.2 Å²	39.2	7%	0.071	23%	0.229	C	C	.	.			trans	-81.2	135.7	170.8	-65.5	-74.2	0	0	0	109.7	F23 A24 M31 L33 V41 L42 W43 L101	F23-Y27 HydrophobicContact CB-CD2 3.94Å; F23-Y27 HydrophobicContact CB-CG 4.14Å; F23-Y27 HydrophobicContact CD1-CD2 4.38Å; F23-Y27 HydrophobicContact CD1-CG 4.39Å; A24-Y27 HydrophobicContact CB-CD2 3.81Å; A24-Y27 HydrophobicContact CB-CE2 3.91Å; A24-Y27 PolarHBondContact O-N 3.12Å; Y27-M31 HydrophobicContact CD1-CE 3.58Å; Y27-M31 HydrophobicContact CD1-SD 3.63Å; Y27-M31 HydrophobicContact CE1-CE 4.04Å; Y27-M31 HydrophobicContact CG-SD 4.46Å; Y27-L33 HydrophobicContact CE1-CD2 4.05Å; Y27-V41 PolarHBondContact OH-O 2.85Å; Y27-L42 HydrophobicContact CD1-CD2 4Å; Y27-L42 HydrophobicContact CE1-CD2 3.48Å; Y27-L42 VanDerWaalsContact CE1-CD2 3.48Å; Y27-L42 WeakPolarHBondContact OH-CA 3.32Å; Y27-W43 AromaticContact CE2-CD1 3.71Å; Y27-W43 HydrophobicContact CE2-CG 4.42Å; Y27-W43 AromaticContact CE2-NE1 3.8Å; Y27-W43 WeakPolarHBondContact CE2-O 3.3Å; Y27-L101 HydrophobicContact CD1-CD1 4.36Å; Y27-L101 HydrophobicContact CG-CD1 4.46Å
28	G	98.1	Very high	94.3	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	21%	0.213	C	C	.	.			trans	-157	169	178.7	0	0	0	0	0	112.3	M31	G28-M31 WeakPolarHBondContact O-CB 3.37Å; G28-M31 VanDerWaalsContact O-CG 3.25Å; G28-M31 WeakPolarHBondContact O-CG 3.4Å
29	D	98.6	Very high	96.2	Very high	66 Å²	66	33.9 Å²	33.9	35%	0.353	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	154.2	169.2	-73	-7	0	0	0	110.2	M31 L101 K102 W165	D29-M31 PolarHBondContact O-N 3.35Å; D29-L101 WeakPolarHBondContact OD1-CA 3.31Å; D29-K102 CarbonylContact C-O 3.55Å; D29-K102 VanDerWaalsContact CA-O 3.24Å; D29-K102 WeakPolarHBondContact CA-O 3.35Å; D29-K102 PolarHBondContact OD1-N 3.28Å; D29-W165 VanDerWaalsContact O-CB 3.23Å; D29-W165 WeakPolarHBondContact O-CB 3.31Å
30	H	98.6	Very high	97.6	Very high	72 Å²	72	33 Å²	33	33%	0.333	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	5.5	-179.8	-53.2	-63.9	0	0	0	116.2	K102 D103 R142	H30-K102 PolarHBondContact N-O 3.39Å; H30-D103 CarbonylContact C-O 3.59Å; H30-D103 VanDerWaalsContact CA-O 3.24Å; H30-D103 WeakPolarHBondContact CA-O 3.24Å; H30-D103 IonicContact CE1-OD2 3.53Å; H30-D103 IonicContact CG-OD2 2.86Å; H30-D103 WeakPolarHBondContact ND1-CB 3.42Å; H30-D103 IonicContact ND1-OD2 3.7Å; H30-D103 PolarHBondContact ND1-OD2 2.87Å; H30-R142 PolarHBondContact ND1-NH1 3.3Å; H30-R142 WeakPolarHBondContact O-CD 3.3Å; H30-R142 WeakPolarHBondContact O-CG 3.25Å
31	M	98.7	Very high	98.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.155	C	C	.	.			trans	-71.8	166.4	-176	74.5	173.2	-59.3	0	0	113.9	Y27 G28 D29 L33 L101 V104 L105 W165	Y27-M31 HydrophobicContact CD1-CE 3.58Å; Y27-M31 HydrophobicContact CD1-SD 3.63Å; Y27-M31 HydrophobicContact CE1-CE 4.04Å; Y27-M31 HydrophobicContact CG-SD 4.46Å; G28-M31 WeakPolarHBondContact O-CB 3.37Å; G28-M31 VanDerWaalsContact O-CG 3.25Å; G28-M31 WeakPolarHBondContact O-CG 3.4Å; D29-M31 PolarHBondContact O-N 3.35Å; M31-L33 HydrophobicContact CE-CD2 3.37Å; M31-L33 HydrophobicContact CE-CG 3.99Å; M31-L33 HydrophobicContact SD-CD2 4.09Å; M31-L33 HydrophobicContact SD-CG 4.32Å; M31-L101 HydrophobicContact SD-CD1 4Å; M31-V104 HydrophobicContact CG-CG1 4.02Å; M31-V104 HydrophobicContact CG-CG2 4.1Å; M31-V104 WeakPolarHBondContact O-CA 3.33Å; M31-L105 PolarHBondContact O-N 3.04Å; M31-W165 HydrophobicContact CB-CB 3.89Å; M31-W165 HydrophobicContact CB-CD2 3.51Å; M31-W165 HydrophobicContact CB-CE3 4.13Å; M31-W165 HydrophobicContact CB-CG 3.38Å
32	V	98.9	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.6	168	-179.4	0	0	0	0	108.9	L105 I109 R142 W165	V32-L105 CarbonylContact C-O 3.53Å; V32-L105 WeakPolarHBondContact CA-O 3.08Å; V32-L105 HydrophobicContact CG2-CB 4.17Å; V32-I109 HydrophobicContact CG1-CG1 4.23Å; V32-I109 WeakPolarHBondContact O-CD1 3.34Å; V32-R142 HydrophobicContact CG2-CB 3.73Å; V32-R142 HydrophobicContact CG2-CG 3.62Å; V32-W165 HydrophobicContact CB-CZ3 4.47Å
33	L	98.9	Very high	98.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	152.6	168	-70.1	175.8	0	0	0	110.3	Y27 M31 K35 A40 L42 I90 V104 L105 F106 G107	Y27-L33 HydrophobicContact CE1-CD2 4.05Å; M31-L33 HydrophobicContact CE-CD2 3.37Å; M31-L33 HydrophobicContact CE-CG 3.99Å; M31-L33 HydrophobicContact SD-CD2 4.09Å; M31-L33 HydrophobicContact SD-CG 4.32Å; L33-K35 PolarHBondContact O-N 2.8Å; L33-A40 HydrophobicContact CB-CB 3.94Å; L33-A40 HydrophobicContact CD1-CB 4.28Å; L33-A40 HydrophobicContact CD2-CB 4.33Å; L33-A40 HydrophobicContact CG-CB 4.42Å; L33-L42 HydrophobicContact CD1-CD2 3.98Å; L33-L42 HydrophobicContact CD2-CD2 3.92Å; L33-I90 HydrophobicContact CD1-CD1 3.47Å; L33-I90 VanDerWaalsContact CD1-CD1 3.47Å; L33-V104 HydrophobicContact CD1-CG1 3.72Å; L33-V104 HydrophobicContact CG-CG1 3.89Å; L33-L105 PolarHBondContact N-O 3.01Å; L33-F106 HydrophobicContact CB-CD1 3.91Å; L33-F106 HydrophobicContact CB-CE1 3.7Å; L33-F106 HydrophobicContact CB-CG 4.46Å; L33-F106 HydrophobicContact CB-CZ 4.05Å; L33-F106 HydrophobicContact CD1-CE1 4.18Å; L33-F106 HydrophobicContact CD1-CE2 4.34Å; L33-F106 HydrophobicContact CD1-CZ 3.78Å; L33-F106 CarbonylContact O-C 3.46Å; L33-F106 VanDerWaalsContact O-CA 3.3Å; L33-F106 WeakPolarHBondContact O-CA 3.29Å; L33-G107 PolarHBondContact O-N 3.47Å
34	Q	98.8	Very high	98.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	124.2	179.4	-175.6	56.5	50.8	0	0	111	Q38 F106 G107 D108 I109 T260 Y262	Q34-Q38 HydrophobicContact CG-CB 3.86Å; Q34-F106 WeakPolarHBondContact O-CD1 3.07Å; Q34-G107 CarbonylContact C-O 3.5Å; Q34-G107 VanDerWaalsContact CA-O 3.32Å; Q34-G107 WeakPolarHBondContact CA-O 3.38Å; Q34-D108 PolarHBondContact NE2-OD1 2.66Å; Q34-I109 HydrophobicContact CB-CD1 4.47Å; Q34-I109 VanDerWaalsContact OE1-N 3.14Å; Q34-T260 HydrophobicContact CB-CG2 3.79Å; Q34-T260 WeakPolarHBondContact CB-O 3.27Å; Q34-T260 HydrophobicContact CG-CG2 3.7Å; Q34-Y262 VanDerWaalsContact OE1-N 3.14Å
35	K	98.7	Very high	98.2	Very high	24 Å²	24	25.5 Å²	25.5	10%	0.104	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-74	169	175.7	66.8	162.8	-178	38.6	0	112.8	L33 Q38 V82 A84 F106 G107 D108 Y193	L33-K35 PolarHBondContact O-N 2.8Å; K35-Q38 CarbonylContact C-O 3.58Å; K35-V82 CarbonylContact C-O 3.57Å; K35-V82 WeakPolarHBondContact CA-O 3.48Å; K35-A84 HydrophobicContact CB-CB 4.39Å; K35-A84 HydrophobicContact CD-CB 3.5Å; K35-F106 HydrophobicContact CB-CB 4.15Å; K35-G107 PolarHBondContact N-O 3.45Å; K35-D108 VanDerWaalsContact CE-OD1 3.26Å; K35-D108 WeakPolarHBondContact CE-OD1 3.43Å; K35-D108 WeakPolarHBondContact CG-OD1 3.31Å; K35-D108 IonicContact NZ-OD1 3.82Å; K35-D108 PolarHBondContact NZ-OD1 2.95Å; K35-D108 IonicContact NZ-OD2 2.78Å; K35-D108 PolarHBondContact NZ-OD2 2.82Å; K35-Y193 HydrophobicContact CD-CD2 4.34Å; K35-Y193 HydrophobicContact CD-CE2 4.21Å; K35-Y193 VanDerWaalsContact CE-CE2 3.4Å
36	A	98.1	Very high	98.1	Very high	17 Å²	17	23.4 Å²	23.4	14%	0.14	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	151.3	168.6	0	0	0	0	0	113	Q38 P81 V82	A36-Q38 WeakPolarHBondContact CA-O 3.36Å; A36-P81 HydrophobicContact CB-CB 3.8Å; A36-V82 WeakPolarHBondContact CB-O 3.45Å; A36-V82 PolarHBondContact N-O 2.85Å
37	P	97.7	Very high	97.9	Very high	104 Å²	104	25.1 Å²	25.1	68%	0.675	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	cis	-79	-10.3	4.6	32.8	-37.2	0	0	0	115.1
38	Q	98.3	Very high	97.7	Very high	50 Å²	50	28.6 Å²	28.6	23%	0.234	16%	0.156	C	C	.	.	S	Bend	trans	-68.5	159.7	173.2	-68.8	73.5	20.4	0	0	111	Q34 K35 A36 T260 Q302	Q34-Q38 HydrophobicContact CG-CB 3.86Å; K35-Q38 CarbonylContact C-O 3.58Å; A36-Q38 WeakPolarHBondContact CA-O 3.36Å; Q38-T260 HydrophobicContact CB-CG2 4.09Å; Q38-Q302 VanDerWaalsContact CG-O 3.31Å; Q38-Q302 WeakPolarHBondContact CG-O 3.2Å
39	K	98.4	Very high	97.3	Very high	56 Å²	56	38 Å²	38	24%	0.243	19%	0.185	C	C	.	.			trans	-108.2	134.9	178.6	-60.3	-176.6	-175.7	-145.8	0	110.4	T78 L79 E80 P81 T260 Q302	K39-T78 HydrophobicContact CB-CG2 3.49Å; K39-T78 VanDerWaalsContact CB-CG2 3.49Å; K39-T78 HydrophobicContact CD-CG2 3.71Å; K39-T78 HydrophobicContact CG-CG2 4.22Å; K39-L79 VanDerWaalsContact CB-O 3.24Å; K39-L79 WeakPolarHBondContact CB-O 3.32Å; K39-L79 VanDerWaalsContact CD-O 3.32Å; K39-L79 WeakPolarHBondContact CD-O 3.4Å; K39-L79 WeakPolarHBondContact CG-O 3.3Å; K39-E80 IonicContact NZ-OE1 3.65Å; K39-E80 IonicContact NZ-OE2 2.68Å; K39-E80 PolarHBondContact NZ-OE2 3.48Å; K39-P81 HydrophobicContact CD-CG 4.35Å; K39-P81 HydrophobicContact CG-CG 3.79Å; K39-T260 WeakPolarHBondContact O-CB 3.37Å; K39-T260 WeakPolarHBondContact O-CG2 3.18Å; K39-T260 PolarHBondContact O-OG1 2.63Å; K39-Q302 HydrophobicContact CB-CG 4.05Å; K39-Q302 VanDerWaalsContact CB-OE1 3.27Å; K39-Q302 VanDerWaalsContact O-CB 3.3Å; K39-Q302 WeakPolarHBondContact O-CB 3.41Å
40	A	98.4	Very high	97	Very high	3 Å²	3	36 Å²	36	3%	0.025	17%	0.173	C	C	.	.			trans	-73.5	128.8	172.2	0	0	0	0	0	110.4	L33 L79 F106	L33-A40 HydrophobicContact CB-CB 3.94Å; L33-A40 HydrophobicContact CD1-CB 4.28Å; L33-A40 HydrophobicContact CD2-CB 4.33Å; L33-A40 HydrophobicContact CG-CB 4.42Å; A40-L79 HydrophobicContact CB-CD1 4.38Å; A40-L79 PolarHBondContact O-N 3.06Å; A40-F106 HydrophobicContact CB-CE1 3.97Å
41	V	98.4	Very high	96.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135	170	176.2	0	0	0	0	108.9	Y27 Q76 T78 N258 T260 S299 Q302	Y27-V41 PolarHBondContact OH-O 2.85Å; V41-Q76 HydrophobicContact CG1-CG 3.87Å; V41-Q76 VanDerWaalsContact CG1-NE2 3.27Å; V41-T78 HydrophobicContact CG2-CG2 4.48Å; V41-N258 WeakPolarHBondContact CB-O 3.24Å; V41-T260 PolarHBondContact N-OG1 3.32Å; V41-S299 WeakPolarHBondContact CG2-O 3.41Å; V41-Q302 HydrophobicContact CG2-CB 4.21Å; V41-Q302 HydrophobicContact CG2-CG 3.77Å
42	L	98.4	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.6	174.5	-62.7	173.3	0	0	0	108.8	Y27 L33 V54 W75 Q76 V77 L79 I90	Y27-L42 HydrophobicContact CD1-CD2 4Å; Y27-L42 HydrophobicContact CE1-CD2 3.48Å; Y27-L42 VanDerWaalsContact CE1-CD2 3.48Å; Y27-L42 WeakPolarHBondContact OH-CA 3.32Å; L33-L42 HydrophobicContact CD1-CD2 3.98Å; L33-L42 HydrophobicContact CD2-CD2 3.92Å; L42-V54 HydrophobicContact CD1-CG1 3.84Å; L42-W75 HydrophobicContact CB-CH2 4.48Å; L42-W75 HydrophobicContact CB-CZ3 4.23Å; L42-Q76 CarbonylContact O-C 3.53Å; L42-Q76 WeakPolarHBondContact O-CA 3.26Å; L42-V77 HydrophobicContact CB-CG2 3.81Å; L42-V77 HydrophobicContact CD1-CG2 4.41Å; L42-V77 PolarHBondContact N-O 2.68Å; L42-V77 PolarHBondContact O-N 2.88Å; L42-L79 HydrophobicContact CD1-CD1 3.82Å; L42-L79 HydrophobicContact CD1-CD2 4.04Å; L42-L79 HydrophobicContact CD1-CG 3.96Å; L42-L79 HydrophobicContact CG-CD1 4.44Å; L42-L79 HydrophobicContact CG-CG 4.46Å; L42-I90 HydrophobicContact CD1-CD1 4.16Å; L42-I90 HydrophobicContact CD1-CG2 3.92Å
43	W	98.1	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	168.2	177.1	72.7	-77.3	0	0	0	110.8	A24 Y26 Y27 Y45 I74 W75 Q76 I156 D157 N258	A24-W43 HydrophobicContact CB-CD2 3.73Å; A24-W43 HydrophobicContact CB-CE3 3.99Å; A24-W43 HydrophobicContact CB-CG 4.47Å; A24-W43 HydrophobicContact CB-CH2 3.56Å; A24-W43 HydrophobicContact CB-CZ2 3.25Å; A24-W43 HydrophobicContact CB-CZ3 3.91Å; A24-W43 PolarHBondContact N-O 2.85Å; A24-W43 VanDerWaalsContact N-O 3.08Å; Y26-W43 AromaticContact CE1-CZ2 3.96Å; Y26-W43 HydrophobicContact CE1-CZ2 3.96Å; Y26-W43 AromaticContact CE1-NE1 3.79Å; Y26-W43 AromaticContact CZ-NE1 3.45Å; Y26-W43 PolarHBondContact OH-NE1 2.99Å; Y27-W43 AromaticContact CE2-CD1 3.71Å; Y27-W43 HydrophobicContact CE2-CG 4.42Å; Y27-W43 AromaticContact CE2-NE1 3.8Å; Y27-W43 WeakPolarHBondContact CE2-O 3.3Å; W43-Y45 HydrophobicContact CH2-CE2 4.43Å; W43-Y45 AromaticContact CZ3-CE2 3.96Å; W43-Y45 HydrophobicContact CZ3-CE2 3.96Å; W43-I74 HydrophobicContact CE3-CG2 4.05Å; W43-W75 CarbonylContact C-O 3.55Å; W43-W75 WeakPolarHBondContact CA-O 3.26Å; W43-W75 WeakPolarHBondContact CB-O 3.49Å; W43-Q76 HydrophobicContact CB-CB 3.99Å; W43-Q76 HydrophobicContact CB-CG 4.09Å; W43-I156 HydrophobicContact CH2-CG2 3.77Å; W43-I156 WeakPolarHBondContact CH2-O 3.34Å; W43-I156 HydrophobicContact CZ3-CG2 3.98Å; W43-D157 HydrophobicContact CH2-CB 3.9Å; W43-N258 VanDerWaalsContact CD1-CB 3.48Å; W43-N258 HydrophobicContact CG-CB 4.29Å
44	G	97.4	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-154.3	176.4	0	0	0	0	0	111.6	R22 I74 W75	R22-G44 CarbonylContact O-C 3.54Å; R22-G44 VanDerWaalsContact O-CA 3.26Å; R22-G44 WeakPolarHBondContact O-CA 3.39Å; G44-I74 WeakPolarHBondContact O-CA 3.3Å; G44-W75 VanDerWaalsContact C-CD1 3.5Å; G44-W75 VanDerWaalsContact C-NE1 3.28Å; G44-W75 PolarHBondContact N-O 2.85Å; G44-W75 PolarHBondContact O-N 3.21Å
45	Y	97	Very high	96.6	Very high	49 Å²	49	40.8 Å²	40.8	19%	0.192	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.8	-174.1	-58.9	-94.9	0	0	0	111.9	L21 R22 W43 G73 I74 W75 D157	L21-Y45 VanDerWaalsContact CA-O 3.3Å; L21-Y45 WeakPolarHBondContact CA-O 3.5Å; R22-Y45 HydrophobicContact CG-CD2 4.27Å; R22-Y45 VanDerWaalsContact CZ-CE2 3.48Å; R22-Y45 PolarHBondContact N-O 3.38Å; R22-Y45 VanDerWaalsContact NH1-CD2 3.28Å; R22-Y45 PolarHBondContact O-N 2.92Å; W43-Y45 HydrophobicContact CH2-CE2 4.43Å; W43-Y45 AromaticContact CZ3-CE2 3.96Å; W43-Y45 HydrophobicContact CZ3-CE2 3.96Å; Y45-G73 CarbonylContact C-O 3.57Å; Y45-G73 WeakPolarHBondContact CA-O 3.45Å; Y45-I74 HydrophobicContact CD1-CG1 4.43Å; Y45-I74 HydrophobicContact CE1-CG1 4.28Å; Y45-W75 VanDerWaalsContact C-CD1 3.46Å; Y45-W75 PolarHBondContact O-NE1 3.03Å; Y45-D157 HydrophobicContact CE2-CB 4.49Å; Y45-D157 WeakPolarHBondContact CE2-OD2 3.33Å; Y45-D157 WeakPolarHBondContact OH-CB 3.32Å
46	G	95.1	Very high	96.6	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	19%	0.19	C	C	.	.			trans	-168.1	178.9	176.5	0	0	0	0	0	111.9	G19 G73	G19-G46 CarbonylContact O-C 3.55Å; G46-G73 PolarHBondContact N-O 2.95Å; G46-G73 VanDerWaalsContact N-O 3.09Å
47	S	93.7	Very high	96.4	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	19%	0.193	S	C	.	.			trans	-71.3	142.6	178.6	-37.6	0	0	0	0	111.9	G19 R49 E50 V70	G19-S47 PolarHBondContact O-N 3.32Å; G19-S47 PolarHBondContact O-OG 3.41Å; S47-R49 PolarHBondContact O-N 2.75Å; S47-E50 VanDerWaalsContact CB-CD 3.44Å; S47-E50 WeakPolarHBondContact CB-OE1 3.38Å; S47-E50 WeakPolarHBondContact O-CB 3.47Å; S47-E50 PolarHBondContact O-N 2.86Å; S47-E50 PolarHBondContact OG-OE1 3.37Å; S47-V70 WeakPolarHBondContact O-CB 3.35Å; S47-V70 WeakPolarHBondContact O-CG1 3.48Å; S47-V70 WeakPolarHBondContact O-CG2 3.24Å
48	E	93.1	Very high	96.1	Very high	91 Å²	91	37.3 Å²	37.3	43%	0.425	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	136.7	177.6	-75.4	-65.6	160.6	0	0	113.4	E50 N72 G73	E48-E50 PolarHBondContact O-N 3.01Å; E48-E50 VanDerWaalsContact O-N 3.14Å; E48-N72 VanDerWaalsContact OE1-C 3.25Å; E48-N72 WeakPolarHBondContact OE1-CA 3.35Å; E48-N72 PolarHBondContact OE1-N 2.8Å; E48-N72 PolarHBondContact OE2-N 3.32Å; E48-G73 PolarHBondContact OE1-N 3.17Å
49	R	91	Very high	95.4	Very high	217 Å²	217	40.9 Å²	40.9	82%	0.819	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	-2.6	178.3	-48.9	176.9	-178.8	179.6	0.5	116.1	S47 V70	S47-R49 PolarHBondContact O-N 2.75Å; R49-V70 PolarHBondContact N-O 3.18Å
50	E	92	Very high	94.8	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.117	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-66.6	151.7	170	-74.3	-177.5	-164.3	0	0	110.7	S47 E48 P69 V70 A94 E95	S47-E50 VanDerWaalsContact CB-CD 3.44Å; S47-E50 WeakPolarHBondContact CB-OE1 3.38Å; S47-E50 WeakPolarHBondContact O-CB 3.47Å; S47-E50 PolarHBondContact O-N 2.86Å; S47-E50 PolarHBondContact OG-OE1 3.37Å; E48-E50 PolarHBondContact O-N 3.01Å; E48-E50 VanDerWaalsContact O-N 3.14Å; E50-P69 CarbonylContact O-C 3.58Å; E50-P69 WeakPolarHBondContact O-CA 3.38Å; E50-V70 HydrophobicContact CB-CG2 4.33Å; E50-V70 VanDerWaalsContact O-CG2 3.3Å; E50-V70 WeakPolarHBondContact O-CG2 3.37Å; E50-V70 PolarHBondContact O-N 2.68Å; E50-A94 VanDerWaalsContact OE2-CB 3.3Å; E50-A94 WeakPolarHBondContact OE2-CB 3.25Å; E50-E95 HydrophobicContact CG-CG 4.14Å
51	Q	94.6	Very high	94.1	Very high	103 Å²	103	46.7 Å²	46.7	48%	0.481	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.6	169.8	-176	170.2	57.6	0	0	109.7	S67	Q51-S67 WeakPolarHBondContact CG-O 3.19Å; Q51-S67 PolarHBondContact NE2-O 2.81Å
52	V	97.1	Very high	93.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	177.8	-175.7	0	0	0	0	109.5	L21 V54 S67 V70 W75 A92 A94	L21-V52 HydrophobicContact CD1-CG1 4.08Å; L21-V52 HydrophobicContact CD1-CG2 3.79Å; V52-V54 HydrophobicContact CG1-CG2 4.21Å; V52-S67 PolarHBondContact N-OG 2.81Å; V52-S67 PolarHBondContact O-N 2.82Å; V52-S67 PolarHBondContact O-OG 3.38Å; V52-V70 HydrophobicContact CG2-CG2 4.02Å; V52-W75 HydrophobicContact CB-CB 4.18Å; V52-W75 HydrophobicContact CB-CD2 4.21Å; V52-W75 HydrophobicContact CB-CE3 4.49Å; V52-W75 HydrophobicContact CB-CG 4.08Å; V52-W75 HydrophobicContact CG1-CD2 4.04Å; V52-W75 HydrophobicContact CG1-CE3 4.23Å; V52-W75 HydrophobicContact CG1-CG 4.34Å; V52-W75 HydrophobicContact CG2-CB 3.67Å; V52-W75 HydrophobicContact CG2-CD2 4.13Å; V52-W75 HydrophobicContact CG2-CG 3.55Å; V52-A92 HydrophobicContact CG1-CB 3.91Å; V52-A94 HydrophobicContact CG2-CB 4.13Å
53	A	97.5	Very high	93.5	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.7	170	0	0	0	0	0	109.7	Y55 L66 V93	A53-Y55 HydrophobicContact CB-CE2 3.69Å; A53-L66 HydrophobicContact CB-CD2 3.67Å; A53-V93 PolarHBondContact N-O 2.94Å; A53-V93 PolarHBondContact O-N 3.33Å
54	V	98.2	Very high	93.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.6	176.2	179	0	0	0	0	109.9	L42 V52 K64 V65 W75 V77 L79 I90 Y91 A92	L42-V54 HydrophobicContact CD1-CG1 3.84Å; V52-V54 HydrophobicContact CG1-CG2 4.21Å; V54-K64 CarbonylContact O-C 3.55Å; V54-K64 WeakPolarHBondContact O-CA 3.21Å; V54-V65 PolarHBondContact N-O 3.26Å; V54-V65 PolarHBondContact O-N 2.88Å; V54-W75 HydrophobicContact CG2-CE3 4.41Å; V54-W75 HydrophobicContact CG2-CH2 4.29Å; V54-W75 HydrophobicContact CG2-CZ3 3.8Å; V54-V77 HydrophobicContact CB-CG1 4.47Å; V54-V77 HydrophobicContact CB-CG2 3.92Å; V54-V77 HydrophobicContact CG1-CG2 4.2Å; V54-V77 HydrophobicContact CG2-CB 4.47Å; V54-V77 HydrophobicContact CG2-CG1 3.97Å; V54-V77 HydrophobicContact CG2-CG2 3.65Å; V54-L79 HydrophobicContact CG1-CD2 4.28Å; V54-I90 HydrophobicContact CG1-CG2 3.8Å; V54-Y91 CarbonylContact C-O 3.59Å; V54-Y91 VanDerWaalsContact CA-O 3.3Å; V54-Y91 WeakPolarHBondContact CA-O 3.37Å; V54-A92 HydrophobicContact CG2-CB 4.4Å
55	Y	97.9	Very high	93.2	Very high	66 Å²	66	61.5 Å²	61.5	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.1	176.5	-60.1	-95.1	0	0	0	109.7	A53 L62 Q63 K64 I90 Y91 V93	A53-Y55 HydrophobicContact CB-CE2 3.69Å; Y55-L62 HydrophobicContact CD1-CD1 4.46Å; Y55-Q63 CarbonylContact C-O 3.59Å; Y55-Q63 VanDerWaalsContact CA-O 3.27Å; Y55-Q63 WeakPolarHBondContact CA-O 3.31Å; Y55-K64 HydrophobicContact CD1-CB 4.02Å; Y55-K64 HydrophobicContact CD1-CD 4.42Å; Y55-K64 HydrophobicContact CD1-CG 4.05Å; Y55-K64 HydrophobicContact CE1-CB 4.02Å; Y55-K64 HydrophobicContact CE1-CD 3.58Å; Y55-K64 HydrophobicContact CE1-CG 3.68Å; Y55-K64 VanDerWaalsContact OH-CE 3.3Å; Y55-K64 WeakPolarHBondContact OH-CE 3.45Å; Y55-K64 PolarHBondContact OH-NZ 2.8Å; Y55-K64 VanDerWaalsContact OH-NZ 3.14Å; Y55-I90 CarbonylContact O-C 3.57Å; Y55-I90 VanDerWaalsContact O-CA 3.24Å; Y55-I90 WeakPolarHBondContact O-CA 3.36Å; Y55-Y91 PolarHBondContact N-O 2.91Å; Y55-Y91 PolarHBondContact O-N 2.8Å; Y55-V93 HydrophobicContact CD2-CG2 3.92Å; Y55-V93 HydrophobicContact CE2-CB 4.16Å; Y55-V93 HydrophobicContact CE2-CG2 3.88Å
56	L	97.6	Very high	92.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.5	167.7	173.1	75.5	0	0	0	107.9	L62 Q63 L79 V82 Y88 I90 F106	L56-L62 WeakPolarHBondContact O-CA 3.24Å; L56-Q63 HydrophobicContact CB-CB 4.23Å; L56-Q63 PolarHBondContact N-O 3.39Å; L56-Q63 PolarHBondContact O-N 2.52Å; L56-L79 HydrophobicContact CD2-CD1 4.46Å; L56-V82 HydrophobicContact CD2-CG2 3.74Å; L56-Y88 HydrophobicContact CD1-CD1 3.97Å; L56-Y88 HydrophobicContact CD1-CG 3.86Å; L56-Y88 HydrophobicContact CD2-CD1 4.38Å; L56-Y88 HydrophobicContact CG-CD1 4.09Å; L56-Y88 HydrophobicContact CG-CG 4.47Å; L56-I90 HydrophobicContact CD1-CD1 4.05Å; L56-I90 HydrophobicContact CD1-CG1 3.57Å; L56-F106 HydrophobicContact CD1-CE2 3.94Å; L56-F106 HydrophobicContact CD1-CZ 4.29Å; L56-F106 HydrophobicContact CD2-CE2 4.19Å; L56-F106 HydrophobicContact CD2-CZ 4.17Å
57	T	94.9	Very high	92.8	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.9	-173.9	77.6	0	0	0	0	112.7	V61 L62 Y88 S89 Y91	T57-V61 CarbonylContact C-O 3.52Å; T57-V61 WeakPolarHBondContact CA-O 3.49Å; T57-L62 HydrophobicContact CG2-CD1 3.58Å; T57-Y88 CarbonylContact O-C 3.57Å; T57-Y88 VanDerWaalsContact O-CA 3.31Å; T57-Y88 WeakPolarHBondContact O-CA 3.46Å; T57-S89 PolarHBondContact N-O 3.33Å; T57-S89 PolarHBondContact O-N 3.03Å; T57-Y91 HydrophobicContact CG2-CD2 4.32Å; T57-Y91 HydrophobicContact CG2-CE2 4.29Å
58	S	92.1	Very high	92.7	Very high	38 Å²	38	68.1 Å²	68.1	27%	0.266	35%	0.352	S	S	.	.			trans	-141.7	-171.5	164.2	77.8	0	0	0	0	109.2	T60 V61	S58-T60 PolarHBondContact O-N 2.89Å; S58-T60 PolarHBondContact OG-N 2.82Å; S58-V61 PolarHBondContact N-O 3.27Å; S58-V61 WeakPolarHBondContact OG-CB 3.36Å; S58-V61 PolarHBondContact OG-N 3.14Å
59	S	83.3	Confident	92.6	Very high	125 Å²	125	67.1 Å²	67.1	87%	0.874	35%	0.353	S	S	*	.	S	Bend	trans	-62	-21.3	173.4	56.5	0	0	0	0	113.8
60	T	84.2	Confident	92.7	Very high	127 Å²	127	56.8 Å²	56.8	78%	0.779	31%	0.314	S	S	*	.	S	Bend	trans	-130.2	-11.3	-173.1	52.3	0	0	0	0	113.9	S58	S58-T60 PolarHBondContact O-N 2.89Å; S58-T60 PolarHBondContact OG-N 2.82Å
61	V	85.1	Confident	92.7	Very high	54 Å²	54	59.8 Å²	59.8	33%	0.327	34%	0.335	S	S	.	.			trans	-119.3	135	-176.7	178.3	0	0	0	0	109.8	T57 S58 Y88	T57-V61 CarbonylContact C-O 3.52Å; T57-V61 WeakPolarHBondContact CA-O 3.49Å; S58-V61 PolarHBondContact N-O 3.27Å; S58-V61 WeakPolarHBondContact OG-CB 3.36Å; S58-V61 PolarHBondContact OG-N 3.14Å; V61-Y88 HydrophobicContact CB-CE1 4.1Å; V61-Y88 HydrophobicContact CG1-CE1 4.33Å; V61-Y88 HydrophobicContact CG2-CE1 4.19Å
62	L	91.7	Very high	92.6	Very high	136 Å²	136	61.4 Å²	61.4	71%	0.712	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	115.4	166.8	175.4	62.3	0	0	0	108.1	Y55 L56 T57	Y55-L62 HydrophobicContact CD1-CD1 4.46Å; L56-L62 WeakPolarHBondContact O-CA 3.24Å; T57-L62 HydrophobicContact CG2-CD1 3.58Å
63	Q	92.7	Very high	92.4	Very high	31 Å²	31	61.6 Å²	61.6	15%	0.145	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.4	172.9	173.5	-177.6	31.3	0	0	109.2	Y55 L56 V65 E80	Y55-Q63 CarbonylContact C-O 3.59Å; Y55-Q63 VanDerWaalsContact CA-O 3.27Å; Y55-Q63 WeakPolarHBondContact CA-O 3.31Å; L56-Q63 HydrophobicContact CB-CB 4.23Å; L56-Q63 PolarHBondContact N-O 3.39Å; L56-Q63 PolarHBondContact O-N 2.52Å; Q63-V65 HydrophobicContact CG-CG2 4.08Å; Q63-E80 VanDerWaalsContact NE2-CG 3.31Å
64	K	94.7	Very high	92.3	Very high	118 Å²	118	63.2 Å²	63.2	51%	0.513	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.3	172.1	-179.8	-175.8	179.4	167.9	0	109	V54 Y55	V54-K64 CarbonylContact O-C 3.55Å; V54-K64 WeakPolarHBondContact O-CA 3.21Å; Y55-K64 HydrophobicContact CD1-CB 4.02Å; Y55-K64 HydrophobicContact CD1-CD 4.42Å; Y55-K64 HydrophobicContact CD1-CG 4.05Å; Y55-K64 HydrophobicContact CE1-CB 4.02Å; Y55-K64 HydrophobicContact CE1-CD 3.58Å; Y55-K64 HydrophobicContact CE1-CG 3.68Å; Y55-K64 VanDerWaalsContact OH-CE 3.3Å; Y55-K64 WeakPolarHBondContact OH-CE 3.45Å; Y55-K64 PolarHBondContact OH-NZ 2.8Å; Y55-K64 VanDerWaalsContact OH-NZ 3.14Å
65	V	94.7	Very high	92.2	Very high	28 Å²	28	63.4 Å²	63.4	17%	0.17	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.6	172.5	-173.1	0	0	0	0	108.3	V54 Q63 V77 L79	V54-V65 PolarHBondContact N-O 3.26Å; V54-V65 PolarHBondContact O-N 2.88Å; Q63-V65 HydrophobicContact CG-CG2 4.08Å; V65-V77 HydrophobicContact CB-CB 4.5Å; V65-V77 HydrophobicContact CG1-CB 3.98Å; V65-V77 HydrophobicContact CG1-CG1 4.23Å; V65-L79 HydrophobicContact CG2-CD2 4.07Å
66	L	90.7	Very high	92.2	Very high	89 Å²	89	63.8 Å²	63.8	47%	0.466	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.7	174.4	-64.3	177	0	0	0	108.9	A53	A53-L66 HydrophobicContact CB-CD2 3.67Å
67	S	91.9	Very high	92.2	Very high	3 Å²	3	64 Å²	64	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	162.9	167.8	74.4	0	0	0	0	110.9	Q51 V52 Q76	Q51-S67 WeakPolarHBondContact CG-O 3.19Å; Q51-S67 PolarHBondContact NE2-O 2.81Å; V52-S67 PolarHBondContact N-OG 2.81Å; V52-S67 PolarHBondContact O-N 2.82Å; V52-S67 PolarHBondContact O-OG 3.38Å; S67-Q76 WeakPolarHBondContact CB-O 3.32Å
68	D	91.4	Very high	92.4	Very high	137 Å²	137	64.8 Å²	64.8	73%	0.733	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	160.2	153.3	-71.5	-37.4	0	0	0	109.8	V70	D68-V70 PolarHBondContact O-N 2.84Å
69	P	92.1	Very high	92.6	Very high	69 Å²	69	63 Å²	63	45%	0.448	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	135.3	174.3	-25.4	35.1	0	0	0	111.4	E50 T71	E50-P69 CarbonylContact O-C 3.58Å; E50-P69 WeakPolarHBondContact O-CA 3.38Å; P69-T71 PolarHBondContact O-N 3.39Å; P69-T71 PolarHBondContact O-OG1 2.91Å; P69-T71 VanDerWaalsContact O-OG1 3.09Å
70	V	92.4	Very high	93.3	Very high	1 Å²	1	62 Å²	62	1%	0.006	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-49.8	129.6	176.9	174.5	0	0	0	0	109.1	S47 R49 E50 V52 D68 I74 W75	S47-V70 WeakPolarHBondContact O-CB 3.35Å; S47-V70 WeakPolarHBondContact O-CG1 3.48Å; S47-V70 WeakPolarHBondContact O-CG2 3.24Å; R49-V70 PolarHBondContact N-O 3.18Å; E50-V70 HydrophobicContact CB-CG2 4.33Å; E50-V70 VanDerWaalsContact O-CG2 3.3Å; E50-V70 WeakPolarHBondContact O-CG2 3.37Å; E50-V70 PolarHBondContact O-N 2.68Å; V52-V70 HydrophobicContact CG2-CG2 4.02Å; D68-V70 PolarHBondContact O-N 2.84Å; V70-I74 WeakPolarHBondContact CA-O 3.44Å; V70-W75 HydrophobicContact CG2-CB 3.91Å
71	T	91.9	Very high	93.9	Very high	88 Å²	88	58.8 Å²	58.8	54%	0.54	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-134.2	130.3	-179.9	-58.1	0	0	0	0	109.1	P69 G73 I74	P69-T71 PolarHBondContact O-N 3.39Å; P69-T71 PolarHBondContact O-OG1 2.91Å; P69-T71 VanDerWaalsContact O-OG1 3.09Å; T71-G73 PolarHBondContact O-N 3.45Å; T71-I74 PolarHBondContact N-O 2.91Å; T71-I74 VanDerWaalsContact N-O 3.09Å; T71-I74 PolarHBondContact O-N 2.99Å; T71-I74 VanDerWaalsContact O-N 3.13Å
72	N	92	Very high	94.5	Very high	136 Å²	136	56.9 Å²	56.9	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.5	-174	-56.8	-36.2	0	0	0	112.4	E48 I74	E48-N72 VanDerWaalsContact OE1-C 3.25Å; E48-N72 WeakPolarHBondContact OE1-CA 3.35Å; E48-N72 PolarHBondContact OE1-N 2.8Å; E48-N72 PolarHBondContact OE2-N 3.32Å; N72-I74 PolarHBondContact O-N 2.92Å
73	G	93.4	Very high	94.8	Very high	5 Å²	5	56.4 Å²	56.4	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	5.1	-179	0	0	0	0	0	114.6	Y45 G46 E48 T71	Y45-G73 CarbonylContact C-O 3.57Å; Y45-G73 WeakPolarHBondContact CA-O 3.45Å; G46-G73 PolarHBondContact N-O 2.95Å; G46-G73 VanDerWaalsContact N-O 3.09Å; E48-G73 PolarHBondContact OE1-N 3.17Å; T71-G73 PolarHBondContact O-N 3.45Å
74	I	95.6	Very high	95	Very high	44 Å²	44	56.9 Å²	56.9	23%	0.226	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.7	-175.2	-64.8	169.8	0	0	0	110.9	W43 G44 Y45 V70 T71 N72 I156	W43-I74 HydrophobicContact CE3-CG2 4.05Å; G44-I74 WeakPolarHBondContact O-CA 3.3Å; Y45-I74 HydrophobicContact CD1-CG1 4.43Å; Y45-I74 HydrophobicContact CE1-CG1 4.28Å; V70-I74 WeakPolarHBondContact CA-O 3.44Å; T71-I74 PolarHBondContact N-O 2.91Å; T71-I74 VanDerWaalsContact N-O 3.09Å; T71-I74 PolarHBondContact O-N 2.99Å; T71-I74 VanDerWaalsContact O-N 3.13Å; N72-I74 PolarHBondContact O-N 2.92Å; I74-I156 HydrophobicContact CD1-CG2 4.12Å
75	W	96.8	Very high	95.2	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.4	163.6	60.8	-91.3	0	0	0	110.1	R22 F23 L42 W43 G44 Y45 V52 V54 V70 V77 A92	R22-W75 PolarHBondContact O-NE1 2.91Å; F23-W75 AromaticContact CD1-CH2 3.55Å; F23-W75 HydrophobicContact CD1-CH2 3.55Å; F23-W75 AromaticContact CD1-CZ2 3.85Å; F23-W75 HydrophobicContact CD1-CZ2 3.85Å; F23-W75 AromaticContact CE1-CH2 3.49Å; F23-W75 HydrophobicContact CE1-CH2 3.49Å; F23-W75 VanDerWaalsContact CE1-CH2 3.49Å; F23-W75 HydrophobicContact CE1-CZ2 4.07Å; F23-W75 HydrophobicContact CG-CH2 4.43Å; F23-W75 HydrophobicContact CG-CZ2 4.3Å; F23-W75 HydrophobicContact CZ-CH2 4.31Å; L42-W75 HydrophobicContact CB-CH2 4.48Å; L42-W75 HydrophobicContact CB-CZ3 4.23Å; W43-W75 CarbonylContact C-O 3.55Å; W43-W75 WeakPolarHBondContact CA-O 3.26Å; W43-W75 WeakPolarHBondContact CB-O 3.49Å; G44-W75 VanDerWaalsContact C-CD1 3.5Å; G44-W75 VanDerWaalsContact C-NE1 3.28Å; G44-W75 PolarHBondContact N-O 2.85Å; G44-W75 PolarHBondContact O-N 3.21Å; Y45-W75 VanDerWaalsContact C-CD1 3.46Å; Y45-W75 PolarHBondContact O-NE1 3.03Å; V52-W75 HydrophobicContact CB-CB 4.18Å; V52-W75 HydrophobicContact CB-CD2 4.21Å; V52-W75 HydrophobicContact CB-CE3 4.49Å; V52-W75 HydrophobicContact CB-CG 4.08Å; V52-W75 HydrophobicContact CG1-CD2 4.04Å; V52-W75 HydrophobicContact CG1-CE3 4.23Å; V52-W75 HydrophobicContact CG1-CG 4.34Å; V52-W75 HydrophobicContact CG2-CB 3.67Å; V52-W75 HydrophobicContact CG2-CD2 4.13Å; V52-W75 HydrophobicContact CG2-CG 3.55Å; V54-W75 HydrophobicContact CG2-CE3 4.41Å; V54-W75 HydrophobicContact CG2-CH2 4.29Å; V54-W75 HydrophobicContact CG2-CZ3 3.8Å; V70-W75 HydrophobicContact CG2-CB 3.91Å; W75-V77 HydrophobicContact CZ3-CG2 4.3Å; W75-A92 HydrophobicContact CH2-CB 4.15Å; W75-A92 HydrophobicContact CZ2-CB 3.97Å
76	Q	97	Very high	95.2	Very high	74 Å²	74	52.9 Å²	52.9	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.7	177	-178.3	174.7	-6.4	0	0	110.4	V41 L42 W43 S67	V41-Q76 HydrophobicContact CG1-CG 3.87Å; V41-Q76 VanDerWaalsContact CG1-NE2 3.27Å; L42-Q76 CarbonylContact O-C 3.53Å; L42-Q76 WeakPolarHBondContact O-CA 3.26Å; W43-Q76 HydrophobicContact CB-CB 3.99Å; W43-Q76 HydrophobicContact CB-CG 4.09Å; S67-Q76 WeakPolarHBondContact CB-O 3.32Å
77	V	97.8	Very high	95.5	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.7	170.4	-59.6	0	0	0	0	110.1	L42 V54 V65 W75	L42-V77 HydrophobicContact CB-CG2 3.81Å; L42-V77 HydrophobicContact CD1-CG2 4.41Å; L42-V77 PolarHBondContact N-O 2.68Å; L42-V77 PolarHBondContact O-N 2.88Å; V54-V77 HydrophobicContact CB-CG1 4.47Å; V54-V77 HydrophobicContact CB-CG2 3.92Å; V54-V77 HydrophobicContact CG1-CG2 4.2Å; V54-V77 HydrophobicContact CG2-CB 4.47Å; V54-V77 HydrophobicContact CG2-CG1 3.97Å; V54-V77 HydrophobicContact CG2-CG2 3.65Å; V65-V77 HydrophobicContact CB-CB 4.5Å; V65-V77 HydrophobicContact CG1-CB 3.98Å; V65-V77 HydrophobicContact CG1-CG1 4.23Å; W75-V77 HydrophobicContact CZ3-CG2 4.3Å
78	T	98.3	Very high	95.8	Very high	48 Å²	48	53.7 Å²	53.7	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.8	166.4	-59	0	0	0	0	108	K39 V41 Q302	K39-T78 HydrophobicContact CB-CG2 3.49Å; K39-T78 VanDerWaalsContact CB-CG2 3.49Å; K39-T78 HydrophobicContact CD-CG2 3.71Å; K39-T78 HydrophobicContact CG-CG2 4.22Å; V41-T78 HydrophobicContact CG2-CG2 4.48Å; T78-Q302 HydrophobicContact CG2-CG 3.99Å
79	L	97.8	Very high	96.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.5	152.7	175.4	-61.7	-175.9	0	0	0	110.5	K39 A40 L42 V54 L56 V65 F106	K39-L79 VanDerWaalsContact CB-O 3.24Å; K39-L79 WeakPolarHBondContact CB-O 3.32Å; K39-L79 VanDerWaalsContact CD-O 3.32Å; K39-L79 WeakPolarHBondContact CD-O 3.4Å; K39-L79 WeakPolarHBondContact CG-O 3.3Å; A40-L79 HydrophobicContact CB-CD1 4.38Å; A40-L79 PolarHBondContact O-N 3.06Å; L42-L79 HydrophobicContact CD1-CD1 3.82Å; L42-L79 HydrophobicContact CD1-CD2 4.04Å; L42-L79 HydrophobicContact CD1-CG 3.96Å; L42-L79 HydrophobicContact CG-CD1 4.44Å; L42-L79 HydrophobicContact CG-CG 4.46Å; V54-L79 HydrophobicContact CG1-CD2 4.28Å; L56-L79 HydrophobicContact CD2-CD1 4.46Å; V65-L79 HydrophobicContact CG2-CD2 4.07Å; L79-F106 HydrophobicContact CD1-CE1 4.47Å; L79-F106 HydrophobicContact CD1-CZ 3.95Å
80	E	96.6	Very high	96.5	Very high	105 Å²	105	45.3 Å²	45.3	49%	0.491	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-59.9	153.3	161	-61.5	-56.6	148.7	0	0	111	K39 Q63 V82	K39-E80 IonicContact NZ-OE1 3.65Å; K39-E80 IonicContact NZ-OE2 2.68Å; K39-E80 PolarHBondContact NZ-OE2 3.48Å; Q63-E80 VanDerWaalsContact NE2-CG 3.31Å; E80-V82 WeakPolarHBondContact O-CG2 3.5Å; E80-V82 PolarHBondContact O-N 3.48Å
81	P	97.4	Very high	96.7	Very high	59 Å²	59	48.8 Å²	48.8	38%	0.383	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-56.2	133.4	179.4	-20.8	31.3	0	0	0	111.1	A36 K39	A36-P81 HydrophobicContact CB-CB 3.8Å; K39-P81 HydrophobicContact CD-CG 4.35Å; K39-P81 HydrophobicContact CG-CG 3.79Å
82	V	97.5	Very high	97	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	26%	0.259	C	S	.	.			trans	-118.7	128.9	179.2	-174.1	0	0	0	0	108.8	K35 A36 L56 E80 Y88 F106	K35-V82 CarbonylContact C-O 3.57Å; K35-V82 WeakPolarHBondContact CA-O 3.48Å; A36-V82 WeakPolarHBondContact CB-O 3.45Å; A36-V82 PolarHBondContact N-O 2.85Å; L56-V82 HydrophobicContact CD2-CG2 3.74Å; E80-V82 WeakPolarHBondContact O-CG2 3.5Å; E80-V82 PolarHBondContact O-N 3.48Å; V82-Y88 HydrophobicContact CG1-CE1 4.48Å; V82-Y88 HydrophobicContact CG1-CE2 4.13Å; V82-F106 HydrophobicContact CB-CD1 3.6Å; V82-F106 HydrophobicContact CB-CD2 4.14Å; V82-F106 HydrophobicContact CB-CE1 3.65Å; V82-F106 HydrophobicContact CB-CE2 4.2Å; V82-F106 HydrophobicContact CB-CG 3.83Å; V82-F106 HydrophobicContact CB-CZ 3.95Å; V82-F106 HydrophobicContact CG1-CB 4.34Å; V82-F106 HydrophobicContact CG1-CD1 4.09Å; V82-F106 HydrophobicContact CG1-CD2 3.73Å; V82-F106 HydrophobicContact CG1-CE1 4.29Å; V82-F106 HydrophobicContact CG1-CE2 3.97Å; V82-F106 HydrophobicContact CG1-CG 3.78Å; V82-F106 HydrophobicContact CG1-CZ 4.23Å; V82-F106 HydrophobicContact CG2-CD1 4.2Å; V82-F106 HydrophobicContact CG2-CE1 3.7Å; V82-F106 HydrophobicContact CG2-CE2 4.24Å; V82-F106 HydrophobicContact CG2-CZ 3.72Å
83	D	97.8	Very high	97.3	Very high	125 Å²	125	40 Å²	40	67%	0.668	24%	0.236	S	C	*	.			trans	-62.3	155.9	176.1	-70.6	-35	0	0	0	111.6	G85	D83-G85 PolarHBondContact O-N 3.1Å
84	A	98.2	Very high	97.3	Very high	42 Å²	42	40 Å²	40	35%	0.347	24%	0.235	S	C	.	.	S	Bend	trans	-58.9	137.1	-179.5	0	0	0	0	0	111.7	K35 F106 Y193	K35-A84 HydrophobicContact CB-CB 4.39Å; K35-A84 HydrophobicContact CD-CB 3.5Å; A84-F106 CarbonylContact C-O 3.6Å; A84-F106 VanDerWaalsContact CA-O 3.3Å; A84-F106 WeakPolarHBondContact CA-O 3.3Å; A84-Y193 HydrophobicContact CB-CD2 4.36Å; A84-Y193 HydrophobicContact CB-CG 4.02Å
85	G	97.3	Very high	96.8	Very high	22 Å²	22	45.7 Å²	45.7	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-147.4	178.4	0	0	0	0	0	113.5	D83 L105 F106	D83-G85 PolarHBondContact O-N 3.1Å; G85-L105 CarbonylContact O-C 3.51Å; G85-L105 WeakPolarHBondContact O-CA 3.11Å; G85-F106 PolarHBondContact N-O 3.16Å; G85-F106 PolarHBondContact O-N 3.09Å
86	G	95.7	Very high	96.2	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.3	-168.7	-172	0	0	0	0	0	111.7	Y88	G86-Y88 VanDerWaalsContact CA-CE2 3.43Å
87	P	97.4	Very high	96	Very high	79 Å²	79	48.7 Å²	48.7	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-79.2	154.2	5	30.8	-34.7	0	0	0	114.4	D103 V104 L105	P87-D103 VanDerWaalsContact CB-OD1 3.31Å; P87-D103 WeakPolarHBondContact CB-OD1 3.29Å; P87-V104 CarbonylContact C-O 3.54Å; P87-V104 WeakPolarHBondContact CA-O 3.43Å; P87-L105 HydrophobicContact CB-CD2 4.4Å
88	Y	98.4	Very high	95.9	Very high	29 Å²	29	53.9 Å²	53.9	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	160.4	170.8	-59.6	-93	0	0	0	110.8	L56 T57 V61 V82 G86 D103 V104 F106	L56-Y88 HydrophobicContact CD1-CD1 3.97Å; L56-Y88 HydrophobicContact CD1-CG 3.86Å; L56-Y88 HydrophobicContact CD2-CD1 4.38Å; L56-Y88 HydrophobicContact CG-CD1 4.09Å; L56-Y88 HydrophobicContact CG-CG 4.47Å; T57-Y88 CarbonylContact O-C 3.57Å; T57-Y88 VanDerWaalsContact O-CA 3.31Å; T57-Y88 WeakPolarHBondContact O-CA 3.46Å; V61-Y88 HydrophobicContact CB-CE1 4.1Å; V61-Y88 HydrophobicContact CG1-CE1 4.33Å; V61-Y88 HydrophobicContact CG2-CE1 4.19Å; V82-Y88 HydrophobicContact CG1-CE1 4.48Å; V82-Y88 HydrophobicContact CG1-CE2 4.13Å; G86-Y88 VanDerWaalsContact CA-CE2 3.43Å; Y88-D103 PolarHBondContact O-N 3.23Å; Y88-V104 PolarHBondContact N-O 3.32Å; Y88-V104 PolarHBondContact O-N 2.79Å; Y88-F106 AromaticContact CD2-CD2 3.6Å; Y88-F106 HydrophobicContact CD2-CD2 3.6Å; Y88-F106 AromaticContact CD2-CE2 3.86Å; Y88-F106 HydrophobicContact CD2-CE2 3.86Å; Y88-F106 AromaticContact CE2-CD2 3.64Å; Y88-F106 HydrophobicContact CE2-CD2 3.64Å; Y88-F106 HydrophobicContact CE2-CE2 4.2Å; Y88-F106 HydrophobicContact CG-CD2 4.47Å; Y88-F106 HydrophobicContact CG-CE2 4.3Å
89	S	98.4	Very high	95.9	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.1	165	-62.7	0	0	0	0	109.4	T57 L101	T57-S89 PolarHBondContact N-O 3.33Å; T57-S89 PolarHBondContact O-N 3.03Å; S89-L101 CarbonylContact C-O 3.46Å; S89-L101 WeakPolarHBondContact CA-O 3.23Å
90	I	98.5	Very high	95.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135	176.8	-58.3	175.1	0	0	0	108.7	F23 L33 L42 V54 Y55 L56 S100 L101 V104	F23-I90 HydrophobicContact CE1-CG2 4.2Å; F23-I90 HydrophobicContact CZ-CG2 3.86Å; L33-I90 HydrophobicContact CD1-CD1 3.47Å; L33-I90 VanDerWaalsContact CD1-CD1 3.47Å; L42-I90 HydrophobicContact CD1-CD1 4.16Å; L42-I90 HydrophobicContact CD1-CG2 3.92Å; V54-I90 HydrophobicContact CG1-CG2 3.8Å; Y55-I90 CarbonylContact O-C 3.57Å; Y55-I90 VanDerWaalsContact O-CA 3.24Å; Y55-I90 WeakPolarHBondContact O-CA 3.36Å; L56-I90 HydrophobicContact CD1-CD1 4.05Å; L56-I90 HydrophobicContact CD1-CG1 3.57Å; I90-S100 CarbonylContact O-C 3.52Å; I90-S100 WeakPolarHBondContact O-CA 3.29Å; I90-L101 HydrophobicContact CB-CB 4.25Å; I90-L101 HydrophobicContact CB-CD1 4.49Å; I90-L101 PolarHBondContact N-O 2.9Å; I90-L101 PolarHBondContact O-N 3.14Å; I90-V104 HydrophobicContact CD1-CB 4.36Å; I90-V104 HydrophobicContact CD1-CG1 3.97Å; I90-V104 HydrophobicContact CD1-CG2 4.17Å; I90-V104 HydrophobicContact CG1-CG2 4.38Å
91	Y	98.2	Very high	96	Very high	75 Å²	75	50.4 Å²	50.4	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121	177.5	-54.7	-89.6	0	0	0	109.8	V54 Y55 T57 I98 S99	V54-Y91 CarbonylContact C-O 3.59Å; V54-Y91 VanDerWaalsContact CA-O 3.3Å; V54-Y91 WeakPolarHBondContact CA-O 3.37Å; Y55-Y91 PolarHBondContact N-O 2.91Å; Y55-Y91 PolarHBondContact O-N 2.8Å; T57-Y91 HydrophobicContact CG2-CD2 4.32Å; T57-Y91 HydrophobicContact CG2-CE2 4.29Å; Y91-I98 HydrophobicContact CD1-CG2 4.2Å; Y91-S99 CarbonylContact C-O 3.59Å; Y91-S99 WeakPolarHBondContact CA-O 3.04Å
92	A	97.9	Very high	96	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.3	164.8	0	0	0	0	0	108.3	L21 F23 V52 V54 W75 I98 S99	L21-A92 WeakPolarHBondContact CD2-O 3.11Å; F23-A92 HydrophobicContact CE1-CB 4.32Å; F23-A92 HydrophobicContact CE2-CB 3.97Å; F23-A92 HydrophobicContact CZ-CB 3.68Å; V52-A92 HydrophobicContact CG1-CB 3.91Å; V54-A92 HydrophobicContact CG2-CB 4.4Å; W75-A92 HydrophobicContact CH2-CB 4.15Å; W75-A92 HydrophobicContact CZ2-CB 3.97Å; A92-I98 WeakPolarHBondContact O-CA 3.3Å; A92-S99 PolarHBondContact N-O 2.94Å; A92-S99 PolarHBondContact O-N 3.17Å
93	V	97	Very high	96.1	Very high	40 Å²	40	54.1 Å²	54.1	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.4	-174.5	-175.5	0	0	0	0	109.9	A53 Y55 S97 I98	A53-V93 PolarHBondContact N-O 2.94Å; A53-V93 PolarHBondContact O-N 3.33Å; Y55-V93 HydrophobicContact CD2-CG2 3.92Å; Y55-V93 HydrophobicContact CE2-CB 4.16Å; Y55-V93 HydrophobicContact CE2-CG2 3.88Å; V93-S97 WeakPolarHBondContact CA-O 3.32Å; V93-I98 HydrophobicContact CG1-CG1 4.25Å; V93-I98 HydrophobicContact CG2-CG1 4.17Å; V93-I98 HydrophobicContact CG2-CG2 4.36Å
94	A	94.8	Very high	96.1	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	133.3	173.4	0	0	0	0	0	109.7	L21 E50 V52 G96 S97	L21-A94 HydrophobicContact CD1-CB 4.15Å; L21-A94 HydrophobicContact CD2-CB 3.92Å; E50-A94 VanDerWaalsContact OE2-CB 3.3Å; E50-A94 WeakPolarHBondContact OE2-CB 3.25Å; V52-A94 HydrophobicContact CG2-CB 4.13Å; A94-G96 VanDerWaalsContact C-N 3.32Å; A94-G96 PolarHBondContact O-N 3.39Å; A94-S97 PolarHBondContact N-O 3.14Å; A94-S97 VanDerWaalsContact N-O 3.12Å; A94-S97 WeakPolarHBondContact O-CA 3.44Å; A94-S97 WeakPolarHBondContact O-CB 3.47Å; A94-S97 PolarHBondContact O-N 3.23Å
95	E	84.1	Confident	96.2	Very high	164 Å²	164	46.3 Å²	46.3	77%	0.766	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.1	51.9	175.1	-59.3	-159.6	174.5	0	0	116.7	E50 S97	E50-E95 HydrophobicContact CG-CG 4.14Å; E95-S97 VanDerWaalsContact C-N 3.26Å; E95-S97 PolarHBondContact O-N 3.09Å
96	G	83.6	Confident	96.2	Very high	81 Å²	81	45.3 Å²	45.3	84%	0.835	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-5.7	177.8	0	0	0	0	0	115.4	A94	A94-G96 VanDerWaalsContact C-N 3.32Å; A94-G96 PolarHBondContact O-N 3.39Å
97	S	93.4	Very high	96.4	Very high	59 Å²	59	43.4 Å²	43.4	41%	0.413	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.8	169.8	-62	0	0	0	0	111.3	L21 V93 A94 E95	L21-S97 WeakPolarHBondContact CD2-O 3.35Å; V93-S97 WeakPolarHBondContact CA-O 3.32Å; A94-S97 PolarHBondContact N-O 3.14Å; A94-S97 VanDerWaalsContact N-O 3.12Å; A94-S97 WeakPolarHBondContact O-CA 3.44Å; A94-S97 WeakPolarHBondContact O-CB 3.47Å; A94-S97 PolarHBondContact O-N 3.23Å; E95-S97 VanDerWaalsContact C-N 3.26Å; E95-S97 PolarHBondContact O-N 3.09Å
98	I	96.1	Very high	96.5	Very high	115 Å²	115	39.6 Å²	39.6	59%	0.59	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.5	177.6	-56.4	179.6	0	0	0	108.8	Y91 A92 V93	Y91-I98 HydrophobicContact CD1-CG2 4.2Å; A92-I98 WeakPolarHBondContact O-CA 3.3Å; V93-I98 HydrophobicContact CG1-CG1 4.25Å; V93-I98 HydrophobicContact CG2-CG1 4.17Å; V93-I98 HydrophobicContact CG2-CG2 4.36Å
99	S	97.6	Very high	96.5	Very high	26 Å²	26	38.3 Å²	38.3	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.4	164.7	-165.9	0	0	0	0	108.9	F23 Y91 A92	F23-S99 WeakPolarHBondContact CD2-OG 3.44Å; Y91-S99 CarbonylContact C-O 3.59Å; Y91-S99 WeakPolarHBondContact CA-O 3.04Å; A92-S99 PolarHBondContact N-O 2.94Å; A92-S99 PolarHBondContact O-N 3.17Å
100	S	98.1	Very high	96.5	Very high	48 Å²	48	36.9 Å²	36.9	34%	0.336	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.9	-173.8	69.1	0	0	0	0	113.9	I90	I90-S100 CarbonylContact O-C 3.52Å; I90-S100 WeakPolarHBondContact O-CA 3.29Å
101	L	98.5	Very high	96.5	Very high	7 Å²	7	37 Å²	37	4%	0.037	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.7	168.6	-51.7	171.2	0	0	0	109	F23 Y27 D29 M31 S89 I90 V104	F23-L101 HydrophobicContact CD1-CD1 4Å; F23-L101 HydrophobicContact CD2-CD1 4.25Å; F23-L101 HydrophobicContact CD2-CD2 4.01Å; F23-L101 HydrophobicContact CD2-CG 3.92Å; F23-L101 HydrophobicContact CE1-CD1 3.94Å; F23-L101 HydrophobicContact CE1-CG 4.44Å; F23-L101 HydrophobicContact CE2-CD1 4.22Å; F23-L101 HydrophobicContact CE2-CD2 4.38Å; F23-L101 HydrophobicContact CE2-CG 3.82Å; F23-L101 HydrophobicContact CG-CD1 4.17Å; F23-L101 HydrophobicContact CG-CD2 4.35Å; F23-L101 HydrophobicContact CG-CG 4.31Å; F23-L101 HydrophobicContact CZ-CD1 4.08Å; F23-L101 HydrophobicContact CZ-CG 4.11Å; Y27-L101 HydrophobicContact CD1-CD1 4.36Å; Y27-L101 HydrophobicContact CG-CD1 4.46Å; D29-L101 WeakPolarHBondContact OD1-CA 3.31Å; M31-L101 HydrophobicContact SD-CD1 4Å; S89-L101 CarbonylContact C-O 3.46Å; S89-L101 WeakPolarHBondContact CA-O 3.23Å; I90-L101 HydrophobicContact CB-CB 4.25Å; I90-L101 HydrophobicContact CB-CD1 4.49Å; I90-L101 PolarHBondContact N-O 2.9Å; I90-L101 PolarHBondContact O-N 3.14Å; L101-V104 HydrophobicContact CB-CG2 3.74Å
102	K	98.4	Very high	96.6	Very high	108 Å²	108	33.4 Å²	33.4	47%	0.47	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.7	-177.6	-61.3	174.3	-175.3	167.3	0	111.3	D29 H30 V104	D29-K102 CarbonylContact C-O 3.55Å; D29-K102 VanDerWaalsContact CA-O 3.24Å; D29-K102 WeakPolarHBondContact CA-O 3.35Å; D29-K102 PolarHBondContact OD1-N 3.28Å; H30-K102 PolarHBondContact N-O 3.39Å; K102-V104 PolarHBondContact O-N 2.75Å
103	D	98.4	Very high	96.6	Very high	43 Å²	43	33.5 Å²	33.5	23%	0.23	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	40.4	-176.3	-167.5	40.8	0	0	0	112.5	H30 P87 Y88 R142	H30-D103 CarbonylContact C-O 3.59Å; H30-D103 VanDerWaalsContact CA-O 3.24Å; H30-D103 WeakPolarHBondContact CA-O 3.24Å; H30-D103 IonicContact CE1-OD2 3.53Å; H30-D103 IonicContact CG-OD2 2.86Å; H30-D103 WeakPolarHBondContact ND1-CB 3.42Å; H30-D103 IonicContact ND1-OD2 3.7Å; H30-D103 PolarHBondContact ND1-OD2 2.87Å; P87-D103 VanDerWaalsContact CB-OD1 3.31Å; P87-D103 WeakPolarHBondContact CB-OD1 3.29Å; Y88-D103 PolarHBondContact O-N 3.23Å; D103-R142 IonicContact OD1-NH2 3.45Å; D103-R142 IonicContact OD2-CZ 3.48Å; D103-R142 IonicContact OD2-NH1 3.14Å; D103-R142 PolarHBondContact OD2-NH1 3.49Å; D103-R142 IonicContact OD2-NH2 3.81Å; D103-R142 PolarHBondContact OD2-NH2 3.2Å
104	V	98.8	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.2	179.5	-178.5	0	0	0	0	109.4	M31 L33 P87 Y88 I90 L101 K102	M31-V104 HydrophobicContact CG-CG1 4.02Å; M31-V104 HydrophobicContact CG-CG2 4.1Å; M31-V104 WeakPolarHBondContact O-CA 3.33Å; L33-V104 HydrophobicContact CD1-CG1 3.72Å; L33-V104 HydrophobicContact CG-CG1 3.89Å; P87-V104 CarbonylContact C-O 3.54Å; P87-V104 WeakPolarHBondContact CA-O 3.43Å; Y88-V104 PolarHBondContact N-O 3.32Å; Y88-V104 PolarHBondContact O-N 2.79Å; I90-V104 HydrophobicContact CD1-CB 4.36Å; I90-V104 HydrophobicContact CD1-CG1 3.97Å; I90-V104 HydrophobicContact CD1-CG2 4.17Å; I90-V104 HydrophobicContact CG1-CG2 4.38Å; L101-V104 HydrophobicContact CB-CG2 3.74Å; K102-V104 PolarHBondContact O-N 2.75Å
105	L	98.8	Very high	96.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	155.5	174.2	-59.3	180	0	0	0	110.7	M31 V32 L33 G85 P87 H140 R142 P194	M31-L105 PolarHBondContact O-N 3.04Å; V32-L105 CarbonylContact C-O 3.53Å; V32-L105 WeakPolarHBondContact CA-O 3.08Å; V32-L105 HydrophobicContact CG2-CB 4.17Å; L33-L105 PolarHBondContact N-O 3.01Å; G85-L105 CarbonylContact O-C 3.51Å; G85-L105 WeakPolarHBondContact O-CA 3.11Å; P87-L105 HydrophobicContact CB-CD2 4.4Å; L105-H140 HydrophobicContact CD1-CB 4.2Å; L105-R142 HydrophobicContact CD1-CG 4.25Å; L105-P194 HydrophobicContact CB-CB 3.91Å; L105-P194 HydrophobicContact CB-CG 4.03Å; L105-P194 HydrophobicContact CD1-CB 3.96Å; L105-P194 HydrophobicContact CD1-CG 4.07Å; L105-P194 HydrophobicContact CG-CG 4.47Å
106	F	98.8	Very high	97.4	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	166.9	-78	-97.3	0	0	0	109.7	L33 Q34 K35 A40 L56 L79 V82 A84 G85 Y88 P194	L33-F106 HydrophobicContact CB-CD1 3.91Å; L33-F106 HydrophobicContact CB-CE1 3.7Å; L33-F106 HydrophobicContact CB-CG 4.46Å; L33-F106 HydrophobicContact CB-CZ 4.05Å; L33-F106 HydrophobicContact CD1-CE1 4.18Å; L33-F106 HydrophobicContact CD1-CE2 4.34Å; L33-F106 HydrophobicContact CD1-CZ 3.78Å; L33-F106 CarbonylContact O-C 3.46Å; L33-F106 VanDerWaalsContact O-CA 3.3Å; L33-F106 WeakPolarHBondContact O-CA 3.29Å; Q34-F106 WeakPolarHBondContact O-CD1 3.07Å; K35-F106 HydrophobicContact CB-CB 4.15Å; A40-F106 HydrophobicContact CB-CE1 3.97Å; L56-F106 HydrophobicContact CD1-CE2 3.94Å; L56-F106 HydrophobicContact CD1-CZ 4.29Å; L56-F106 HydrophobicContact CD2-CE2 4.19Å; L56-F106 HydrophobicContact CD2-CZ 4.17Å; L79-F106 HydrophobicContact CD1-CE1 4.47Å; L79-F106 HydrophobicContact CD1-CZ 3.95Å; V82-F106 HydrophobicContact CB-CD1 3.6Å; V82-F106 HydrophobicContact CB-CD2 4.14Å; V82-F106 HydrophobicContact CB-CE1 3.65Å; V82-F106 HydrophobicContact CB-CE2 4.2Å; V82-F106 HydrophobicContact CB-CG 3.83Å; V82-F106 HydrophobicContact CB-CZ 3.95Å; V82-F106 HydrophobicContact CG1-CB 4.34Å; V82-F106 HydrophobicContact CG1-CD1 4.09Å; V82-F106 HydrophobicContact CG1-CD2 3.73Å; V82-F106 HydrophobicContact CG1-CE1 4.29Å; V82-F106 HydrophobicContact CG1-CE2 3.97Å; V82-F106 HydrophobicContact CG1-CG 3.78Å; V82-F106 HydrophobicContact CG1-CZ 4.23Å; V82-F106 HydrophobicContact CG2-CD1 4.2Å; V82-F106 HydrophobicContact CG2-CE1 3.7Å; V82-F106 HydrophobicContact CG2-CE2 4.24Å; V82-F106 HydrophobicContact CG2-CZ 3.72Å; A84-F106 CarbonylContact C-O 3.6Å; A84-F106 VanDerWaalsContact CA-O 3.3Å; A84-F106 WeakPolarHBondContact CA-O 3.3Å; G85-F106 PolarHBondContact N-O 3.16Å; G85-F106 PolarHBondContact O-N 3.09Å; Y88-F106 AromaticContact CD2-CD2 3.6Å; Y88-F106 HydrophobicContact CD2-CD2 3.6Å; Y88-F106 AromaticContact CD2-CE2 3.86Å; Y88-F106 HydrophobicContact CD2-CE2 3.86Å; Y88-F106 AromaticContact CE2-CD2 3.64Å; Y88-F106 HydrophobicContact CE2-CD2 3.64Å; Y88-F106 HydrophobicContact CE2-CE2 4.2Å; Y88-F106 HydrophobicContact CG-CD2 4.47Å; Y88-F106 HydrophobicContact CG-CE2 4.3Å; F106-P194 WeakPolarHBondContact O-CG 3.48Å
107	G	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-170.8	-170.9	0	0	0	0	0	111.9	L33 Q34 K35 P194	L33-G107 PolarHBondContact O-N 3.47Å; Q34-G107 CarbonylContact C-O 3.5Å; Q34-G107 VanDerWaalsContact CA-O 3.32Å; Q34-G107 WeakPolarHBondContact CA-O 3.38Å; K35-G107 PolarHBondContact N-O 3.45Å; G107-P194 CarbonylContact C-O 3.57Å; G107-P194 WeakPolarHBondContact CA-O 2.97Å
108	D	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.4	172.4	-70	-26.8	0	0	0	110.1	Q34 K35 Y193 P194 I195 G196 Y262 Y387	Q34-D108 PolarHBondContact NE2-OD1 2.66Å; K35-D108 VanDerWaalsContact CE-OD1 3.26Å; K35-D108 WeakPolarHBondContact CE-OD1 3.43Å; K35-D108 WeakPolarHBondContact CG-OD1 3.31Å; K35-D108 IonicContact NZ-OD1 3.82Å; K35-D108 PolarHBondContact NZ-OD1 2.95Å; K35-D108 IonicContact NZ-OD2 2.78Å; K35-D108 PolarHBondContact NZ-OD2 2.82Å; D108-Y193 HydrophobicContact CB-CE2 4.21Å; D108-Y193 WeakPolarHBondContact OD2-CE2 3.24Å; D108-Y193 VanDerWaalsContact OD2-CZ 3.24Å; D108-Y193 PolarHBondContact OD2-OH 3.24Å; D108-P194 PolarHBondContact N-O 2.85Å; D108-I195 HydrophobicContact CB-CD1 4.24Å; D108-I195 WeakPolarHBondContact O-CA 3.31Å; D108-G196 PolarHBondContact O-N 3.33Å; D108-Y262 HydrophobicContact CB-CD1 4.4Å; D108-Y262 HydrophobicContact CB-CD2 4.2Å; D108-Y262 HydrophobicContact CB-CG 3.86Å; D108-Y262 WeakPolarHBondContact OD1-CD2 3.29Å; D108-Y387 WeakPolarHBondContact OD2-CE1 3.46Å; D108-Y387 PolarHBondContact OD2-OH 3.12Å; D108-Y387 VanDerWaalsContact OD2-OH 3.1Å
109	I	98.9	Very high	98.5	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.1	179	-55	-179	0	0	0	109.9	V32 Q34 G196 V198 M259 I261 Y262 G263	V32-I109 HydrophobicContact CG1-CG1 4.23Å; V32-I109 WeakPolarHBondContact O-CD1 3.34Å; Q34-I109 HydrophobicContact CB-CD1 4.47Å; Q34-I109 VanDerWaalsContact OE1-N 3.14Å; I109-G196 WeakPolarHBondContact CA-O 3.46Å; I109-V198 HydrophobicContact CG2-CG2 3.9Å; I109-M259 HydrophobicContact CD1-CG 4.21Å; I109-M259 HydrophobicContact CD1-SD 4.15Å; I109-M259 HydrophobicContact CG2-SD 3.92Å; I109-I261 HydrophobicContact CB-CG2 4.43Å; I109-I261 HydrophobicContact CG2-CG2 4.05Å; I109-Y262 WeakPolarHBondContact O-CB 3.46Å; I109-Y262 PolarHBondContact O-N 3Å; I109-G263 PolarHBondContact O-N 2.69Å
110	W	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.1	175.6	-73.1	84.3	0	0	0	111.2	F183 G196 L197 V198 Y262 G263 I265 P308 F349 A382 A386 Y387	W110-F183 HydrophobicContact CB-CE1 4.26Å; W110-F183 AromaticContact CD2-CE1 3.47Å; W110-F183 HydrophobicContact CD2-CE1 3.47Å; W110-F183 VanDerWaalsContact CD2-CE1 3.47Å; W110-F183 AromaticContact CD2-CZ 3.84Å; W110-F183 HydrophobicContact CD2-CZ 3.84Å; W110-F183 AromaticContact CE2-CE1 3.78Å; W110-F183 AromaticContact CE2-CZ 3.86Å; W110-F183 AromaticContact CE3-CE1 3.81Å; W110-F183 HydrophobicContact CE3-CE1 3.81Å; W110-F183 AromaticContact CE3-CZ 3.9Å; W110-F183 HydrophobicContact CE3-CZ 3.9Å; W110-F183 AromaticContact CG-CE1 3.67Å; W110-F183 HydrophobicContact CG-CE1 3.67Å; W110-F183 HydrophobicContact CG-CZ 4.48Å; W110-F183 HydrophobicContact CH2-CZ 4.02Å; W110-F183 HydrophobicContact CZ2-CE1 4.35Å; W110-F183 AromaticContact CZ2-CZ 3.95Å; W110-F183 HydrophobicContact CZ2-CZ 3.95Å; W110-F183 HydrophobicContact CZ3-CE1 4.38Å; W110-F183 AromaticContact CZ3-CZ 4Å; W110-F183 HydrophobicContact CZ3-CZ 4Å; W110-G196 PolarHBondContact N-O 3.02Å; W110-L197 HydrophobicContact CB-CD2 4.29Å; W110-V198 PolarHBondContact O-N 2.77Å; W110-Y262 AromaticContact CE2-CD1 3.8Å; W110-Y262 HydrophobicContact CH2-CD1 4.25Å; W110-Y262 AromaticContact CZ2-CD1 3.48Å; W110-Y262 HydrophobicContact CZ2-CD1 3.48Å; W110-Y262 VanDerWaalsContact CZ2-CD1 3.48Å; W110-Y262 AromaticContact CZ2-CE1 3.83Å; W110-Y262 HydrophobicContact CZ2-CE1 3.83Å; W110-Y262 AromaticContact NE1-CD1 3.94Å; W110-G263 WeakPolarHBondContact CA-O 3.39Å; W110-G263 VanDerWaalsContact CE3-C 3.44Å; W110-I265 HydrophobicContact CE3-CG2 3.95Å; W110-I265 HydrophobicContact CZ3-CG2 4.07Å; W110-P308 HydrophobicContact CH2-CB 4.24Å; W110-P308 HydrophobicContact CH2-CG 4.08Å; W110-F349 HydrophobicContact CH2-CE1 4.22Å; W110-F349 HydrophobicContact CH2-CZ 4.03Å; W110-F349 HydrophobicContact CZ3-CE1 4.38Å; W110-F349 AromaticContact CZ3-CZ 3.99Å; W110-F349 HydrophobicContact CZ3-CZ 3.99Å; W110-A382 HydrophobicContact CH2-CB 4.35Å; W110-A386 HydrophobicContact CH2-CB 4.08Å; W110-A386 HydrophobicContact CZ2-CB 4.38Å; W110-Y387 AromaticContact CZ2-CE2 4Å; W110-Y387 HydrophobicContact CZ2-CE2 4Å; W110-Y387 PolarHBondContact NE1-OH 3.18Å
111	L	98.9	Very high	98.6	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.8	170.6	-179.6	65.1	0	0	0	109.7	V198 I253 G263 A264 I265 W291 F295	L111-V198 CarbonylContact C-O 3.55Å; L111-V198 HydrophobicContact CD1-CB 4.07Å; L111-V198 HydrophobicContact CD1-CG1 3.66Å; L111-I253 HydrophobicContact CD2-CD1 4.28Å; L111-G263 PolarHBondContact N-O 2.99Å; L111-A264 HydrophobicContact CB-CB 4.19Å; L111-A264 CarbonylContact O-C 3.59Å; L111-A264 WeakPolarHBondContact O-CA 3.49Å; L111-A264 WeakPolarHBondContact O-CB 3.1Å; L111-I265 PolarHBondContact O-N 2.88Å; L111-W291 HydrophobicContact CD2-CE3 4.15Å; L111-W291 HydrophobicContact CD2-CH2 4.4Å; L111-W291 HydrophobicContact CD2-CZ3 3.61Å; L111-W291 HydrophobicContact CG-CZ3 4.49Å; L111-F295 HydrophobicContact CD2-CE2 4.04Å; L111-F295 HydrophobicContact CD2-CZ 3.73Å
112	C	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104	179.6	-62.6	0	0	0	0	109.3	M118 C180 V198 S200 I265	C112-M118 HydrophobicContact CB-CE 4.42Å; C112-M118 HydrophobicContact CB-SD 3.89Å; C112-C180 HydrophobicContact CB-CB 3.58Å; C112-C180 WeakPolarHBondContact CB-SG 3.04Å; C112-C180 WeakPolarHBondContact SG-CB 3.43Å; C112-C180 CovalentContact SG-SG 2.03Å; C112-C180 PolarHBondContact SG-SG 3.47Å; C112-V198 PolarHBondContact N-O 3.1Å; C112-S200 PolarHBondContact O-N 3.02Å; C112-I265 HydrophobicContact CB-CD1 4.46Å; C112-I265 HydrophobicContact CB-CG1 4.11Å
113	G	98.6	Very high	98.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159.9	-174.6	0	0	0	0	0	114.7	M118 S200 I265 W266 Y267	G113-M118 VanDerWaalsContact O-CE 3.28Å; G113-M118 WeakPolarHBondContact O-CE 3.34Å; G113-M118 WeakPolarHBondContact O-CG 3.47Å; G113-S200 VanDerWaalsContact CA-O 3.27Å; G113-S200 WeakPolarHBondContact CA-O 3.4Å; G113-I265 PolarHBondContact N-O 3.45Å; G113-W266 VanDerWaalsContact C-CZ3 3.4Å; G113-W266 CarbonylContact O-C 3.52Å; G113-W266 VanDerWaalsContact O-CA 3.27Å; G113-W266 WeakPolarHBondContact O-CA 3.31Å; G113-Y267 PolarHBondContact O-N 2.86Å
114	G	98.1	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.1	-151.4	169.6	0	0	0	0	0	113.3	S201 W202 W210 Y267	G114-S201 CarbonylContact O-C 3.52Å; G114-S201 VanDerWaalsContact O-CA 3.26Å; G114-S201 WeakPolarHBondContact O-CA 3.21Å; G114-S201 WeakPolarHBondContact O-CB 3.16Å; G114-W202 PolarHBondContact O-N 3.1Å; G114-W210 WeakPolarHBondContact O-CZ2 3.3Å; G114-Y267 WeakPolarHBondContact CA-O 3.31Å
115	Q	97.8	Very high	98.6	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.023	6%	0.061	C	C	.	.	S	Bend	trans	-107.7	-151.6	-178.9	65	172.2	84.5	0	0	112.5	N117 M118 L119 W202 T205 Y267 Q268 E270	Q115-N117 PolarHBondContact O-N 3.44Å; Q115-N117 VanDerWaalsContact O-N 3.1Å; Q115-M118 WeakPolarHBondContact O-CA 3.43Å; Q115-M118 WeakPolarHBondContact O-CB 3.37Å; Q115-M118 PolarHBondContact O-N 2.84Å; Q115-L119 PolarHBondContact O-N 3.47Å; Q115-W202 VanDerWaalsContact CA-O 3.24Å; Q115-W202 WeakPolarHBondContact CA-O 3.43Å; Q115-W202 WeakPolarHBondContact CB-O 3.23Å; Q115-T205 PolarHBondContact OE1-O 2.72Å; Q115-Y267 PolarHBondContact N-O 3.42Å; Q115-Q268 HydrophobicContact CB-CB 4.44Å; Q115-Q268 HydrophobicContact CB-CG 4.03Å; Q115-Q268 HydrophobicContact CG-CB 3.96Å; Q115-Q268 HydrophobicContact CG-CG 3.81Å; Q115-E270 WeakPolarHBondContact CG-OE2 3.33Å; Q115-E270 PolarHBondContact NE2-OE2 3.41Å; Q115-E270 PolarHBondContact OE1-OE2 3.46Å; Q115-E270 VanDerWaalsContact OE1-OE2 3.12Å
116	S	97.9	Very high	98.5	Very high	22 Å²	22	14.1 Å²	14.1	15%	0.154	8%	0.077	C	C	.	.	H	α-helix	trans	-58.2	-29.9	-168	42.1	0	0	0	0	114.1	L119 F120 H367	S116-L119 PolarHBondContact O-N 3.04Å; S116-F120 WeakPolarHBondContact O-CB 3.19Å; S116-F120 PolarHBondContact O-N 3.09Å; S116-H367 PolarHBondContact OG-CE1 3.08Å
117	N	98.7	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-76.1	-23.3	175.3	-91	-57.5	0	0	0	113.8	Q115 Y267 E270 I366 H367 K371	Q115-N117 PolarHBondContact O-N 3.44Å; Q115-N117 VanDerWaalsContact O-N 3.1Å; N117-Y267 HydrophobicContact CB-CD1 3.65Å; N117-Y267 HydrophobicContact CB-CD2 3.91Å; N117-Y267 HydrophobicContact CB-CE1 3.57Å; N117-Y267 HydrophobicContact CB-CE2 3.79Å; N117-Y267 HydrophobicContact CB-CG 3.84Å; N117-E270 PolarHBondContact ND2-OE1 3.14Å; N117-I366 PolarHBondContact ND2-O 3.11Å; N117-H367 PolarHBondContact ND2-ND1 3.33Å; N117-K371 WeakPolarHBondContact O-CE 3.24Å; N117-K371 PolarHBondContact OD1-NZ 2.77Å
118	M	98.8	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-77.5	-44.2	165.3	-177.7	58.3	73	0	0	110.7	C112 G113 Q115 F120 S177 L179 C180 I265	C112-M118 HydrophobicContact CB-CE 4.42Å; C112-M118 HydrophobicContact CB-SD 3.89Å; G113-M118 VanDerWaalsContact O-CE 3.28Å; G113-M118 WeakPolarHBondContact O-CE 3.34Å; G113-M118 WeakPolarHBondContact O-CG 3.47Å; Q115-M118 WeakPolarHBondContact O-CA 3.43Å; Q115-M118 WeakPolarHBondContact O-CB 3.37Å; Q115-M118 PolarHBondContact O-N 2.84Å; M118-F120 PolarHBondContact O-N 2.96Å; M118-S177 WeakPolarHBondContact O-CB 3.28Å; M118-S177 PolarHBondContact O-OG 3.44Å; M118-L179 HydrophobicContact CE-CD2 4.02Å; M118-L179 HydrophobicContact SD-CB 4.43Å; M118-L179 HydrophobicContact SD-CD2 4.38Å; M118-C180 HydrophobicContact SD-CB 4.47Å; M118-I265 HydrophobicContact CE-CD1 4.26Å; M118-I265 HydrophobicContact CE-CG1 3.96Å
119	L	98	Very high	98.3	Very high	46 Å²	46	24.6 Å²	24.6	24%	0.241	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-17.3	177.2	-175	60.3	0	0	0	113.3	Q115 S116 T121 M145 S201	Q115-L119 PolarHBondContact O-N 3.47Å; S116-L119 PolarHBondContact O-N 3.04Å; L119-T121 WeakPolarHBondContact O-CG2 3.34Å; L119-T121 PolarHBondContact O-N 2.82Å; L119-T121 VanDerWaalsContact O-N 3.12Å; L119-M145 HydrophobicContact CD1-CE 3.82Å; L119-S201 WeakPolarHBondContact CA-OG 3.25Å; L119-S201 VanDerWaalsContact CB-OG 3.28Å; L119-S201 WeakPolarHBondContact CB-OG 3.24Å; L119-S201 WeakPolarHBondContact CD1-OG 3.2Å; L119-S201 PolarHBondContact N-OG 3.14Å
120	F	98.3	Very high	98.2	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	17%	0.168	C	C	.	.			trans	-59.1	115.2	-175.7	-157.4	-100.5	0	0	0	111.2	S116 M118 Q124 I125 G178 Y363 H367 R369 K371	S116-F120 WeakPolarHBondContact O-CB 3.19Å; S116-F120 PolarHBondContact O-N 3.09Å; M118-F120 PolarHBondContact O-N 2.96Å; F120-Q124 HydrophobicContact CD1-CB 3.77Å; F120-Q124 HydrophobicContact CD2-CB 4.32Å; F120-Q124 VanDerWaalsContact CE1-C 3.43Å; F120-Q124 HydrophobicContact CE1-CB 3.34Å; F120-Q124 WeakPolarHBondContact CE1-O 3.15Å; F120-Q124 HydrophobicContact CE2-CB 3.93Å; F120-Q124 HydrophobicContact CG-CB 4.26Å; F120-Q124 HydrophobicContact CZ-CB 3.44Å; F120-Q124 VanDerWaalsContact CZ-CB 3.44Å; F120-I125 HydrophobicContact CD1-CG2 3.83Å; F120-I125 HydrophobicContact CE1-CG2 4.09Å; F120-G178 PolarHBondContact O-N 2.88Å; F120-Y363 AromaticContact CE2-CD2 3.69Å; F120-Y363 HydrophobicContact CE2-CD2 3.69Å; F120-Y363 HydrophobicContact CE2-CE2 4.4Å; F120-Y363 AromaticContact CE2-CG 3.8Å; F120-Y363 HydrophobicContact CE2-CG 3.8Å; F120-Y363 AromaticContact CZ-CD2 3.44Å; F120-Y363 HydrophobicContact CZ-CD2 3.44Å; F120-Y363 VanDerWaalsContact CZ-CD2 3.44Å; F120-Y363 AromaticContact CZ-CE2 3.92Å; F120-Y363 HydrophobicContact CZ-CE2 3.92Å; F120-Y363 HydrophobicContact CZ-CG 4.05Å; F120-H367 HydrophobicContact CD2-CB 4.19Å; F120-H367 HydrophobicContact CE2-CB 3.78Å; F120-R369 HydrophobicContact CE1-CG 4.11Å; F120-R369 HydrophobicContact CZ-CG 3.93Å; F120-K371 HydrophobicContact CD1-CG 4.48Å
121	T	98.7	Very high	98.1	Very high	23 Å²	23	30.5 Å²	30.5	14%	0.141	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-81.8	163.7	-162.3	77.8	0	0	0	0	113.1	L119 S123 Q124 I125 A174 E175 F176	L119-T121 WeakPolarHBondContact O-CG2 3.34Å; L119-T121 PolarHBondContact O-N 2.82Å; L119-T121 VanDerWaalsContact O-N 3.12Å; T121-S123 PolarHBondContact O-N 3.19Å; T121-S123 VanDerWaalsContact O-N 3.16Å; T121-S123 PolarHBondContact OG1-N 3.28Å; T121-Q124 PolarHBondContact O-N 3.21Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.33Å; T121-I125 PolarHBondContact O-N 2.95Å; T121-A174 WeakPolarHBondContact CB-O 3.41Å; T121-A174 PolarHBondContact OG1-O 3.43Å; T121-A174 VanDerWaalsContact OG1-O 3.05Å; T121-E175 VanDerWaalsContact CG2-O 3.29Å; T121-E175 WeakPolarHBondContact CG2-O 3.48Å; T121-F176 CarbonylContact C-O 3.52Å; T121-F176 WeakPolarHBondContact CA-O 3.4Å; T121-F176 WeakPolarHBondContact CB-O 3.17Å
122	V	98.6	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.9	173.5	-176.7	0	0	0	0	111.6	Q124 I125 S128 E131 L132 L173 F176 W181	V122-Q124 PolarHBondContact O-N 2.85Å; V122-I125 HydrophobicContact CG1-CD1 4.4Å; V122-I125 VanDerWaalsContact O-CG1 3.28Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; V122-S128 WeakPolarHBondContact O-CB 3.41Å; V122-S128 PolarHBondContact O-OG 3.17Å; V122-E131 HydrophobicContact CG1-CB 3.84Å; V122-L132 HydrophobicContact CB-CD2 4.18Å; V122-L132 HydrophobicContact CG1-CD2 3.69Å; V122-L132 HydrophobicContact CG1-CG 4.05Å; V122-L173 WeakPolarHBondContact CB-O 3.42Å; V122-L173 HydrophobicContact CG2-CB 4.3Å; V122-L173 WeakPolarHBondContact CG2-O 3.16Å; V122-F176 PolarHBondContact N-O 3.08Å; V122-W181 HydrophobicContact CG2-CB 3.96Å; V122-W181 HydrophobicContact CG2-CG 4.1Å
123	S	98.4	Very high	97.9	Very high	55 Å²	55	35.2 Å²	35.2	39%	0.385	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.5	175.5	-64.5	0	0	0	0	113.6	T121 S128 A174	T121-S123 PolarHBondContact O-N 3.19Å; T121-S123 VanDerWaalsContact O-N 3.16Å; T121-S123 PolarHBondContact OG1-N 3.28Å; S123-S128 VanDerWaalsContact CA-OG 3.28Å; S123-S128 WeakPolarHBondContact CA-OG 3.37Å; S123-A174 VanDerWaalsContact CB-O 3.31Å; S123-A174 WeakPolarHBondContact CB-O 3.41Å; S123-A174 WeakPolarHBondContact OG-CA 3.19Å; S123-A174 VanDerWaalsContact OG-CB 3.24Å; S123-A174 WeakPolarHBondContact OG-CB 3.28Å; S123-A174 PolarHBondContact OG-O 2.7Å
124	Q	98.5	Very high	97.8	Very high	50 Å²	50	36.6 Å²	36.6	23%	0.234	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-19	-171.4	-60.4	174.2	-38.1	0	0	113	F120 T121 V122 Y363 R369	F120-Q124 HydrophobicContact CD1-CB 3.77Å; F120-Q124 HydrophobicContact CD2-CB 4.32Å; F120-Q124 VanDerWaalsContact CE1-C 3.43Å; F120-Q124 HydrophobicContact CE1-CB 3.34Å; F120-Q124 WeakPolarHBondContact CE1-O 3.15Å; F120-Q124 HydrophobicContact CE2-CB 3.93Å; F120-Q124 HydrophobicContact CG-CB 4.26Å; F120-Q124 HydrophobicContact CZ-CB 3.44Å; F120-Q124 VanDerWaalsContact CZ-CB 3.44Å; T121-Q124 PolarHBondContact O-N 3.21Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.33Å; V122-Q124 PolarHBondContact O-N 2.85Å; Q124-Y363 HydrophobicContact CB-CD2 4.42Å; Q124-Y363 HydrophobicContact CB-CE2 3.78Å; Q124-Y363 HydrophobicContact CG-CE1 4.05Å; Q124-Y363 HydrophobicContact CG-CE2 4.11Å; Q124-R369 VanDerWaalsContact O-CG 3.32Å; Q124-R369 WeakPolarHBondContact O-CG 3.44Å
125	I	98.4	Very high	97.6	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.041	21%	0.214	C	C	.	.	S	Bend	trans	-75.4	162.9	-179.1	64.9	165.4	0	0	0	112.9	F120 T121 V122 S128 E131 L182 R369 K371	F120-I125 HydrophobicContact CD1-CG2 3.83Å; F120-I125 HydrophobicContact CE1-CG2 4.09Å; T121-I125 PolarHBondContact O-N 2.95Å; V122-I125 HydrophobicContact CG1-CD1 4.4Å; V122-I125 VanDerWaalsContact O-CG1 3.28Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; I125-S128 WeakPolarHBondContact O-CB 3.36Å; I125-E131 HydrophobicContact CD1-CG 4.28Å; I125-L182 HydrophobicContact CD1-CD1 3.78Å; I125-L182 HydrophobicContact CD1-CG 4.36Å; I125-R369 WeakPolarHBondContact CA-O 3.25Å; I125-R369 WeakPolarHBondContact CB-O 3.38Å; I125-K371 HydrophobicContact CB-CB 4.48Å; I125-K371 HydrophobicContact CB-CG 4.35Å; I125-K371 HydrophobicContact CG2-CB 3.79Å; I125-K371 HydrophobicContact CG2-CG 3.34Å
126	F	98.2	Very high	97.4	Very high	77 Å²	77	40.9 Å²	40.9	34%	0.338	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	152.5	165	-69.3	-42.6	0	0	0	111	S128 R369 D370 Q372	F126-S128 PolarHBondContact O-N 3.02Å; F126-S128 VanDerWaalsContact O-N 3.11Å; F126-R369 HydrophobicContact CD1-CB 3.95Å; F126-R369 HydrophobicContact CD2-CB 3.89Å; F126-R369 HydrophobicContact CE1-CB 3.93Å; F126-R369 HydrophobicContact CE2-CB 3.87Å; F126-R369 HydrophobicContact CG-CB 3.92Å; F126-R369 HydrophobicContact CZ-CB 3.89Å; F126-R369 PolarHBondContact N-O 3.48Å; F126-D370 HydrophobicContact CD2-CB 4Å; F126-D370 HydrophobicContact CE2-CB 4.35Å; F126-Q372 PolarHBondContact O-NE2 2.85Å
127	N	95.8	Very high	97.3	Very high	100 Å²	100	46.6 Å²	46.6	54%	0.535	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	21.9	-177.1	-55	-9.2	0	0	0	115.5	S129 E130 E131	N127-S129 VanDerWaalsContact C-N 3.32Å; N127-S129 PolarHBondContact O-N 3.22Å; N127-E130 PolarHBondContact O-N 2.8Å; N127-E131 PolarHBondContact O-N 2.9Å; N127-E131 VanDerWaalsContact O-N 3.12Å
128	S	97.6	Very high	97.3	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-46.1	-49.8	178.5	177.8	0	0	0	0	113.8	V122 S123 I125 F126 E130 E131 L132	V122-S128 WeakPolarHBondContact O-CB 3.41Å; V122-S128 PolarHBondContact O-OG 3.17Å; S123-S128 VanDerWaalsContact CA-OG 3.28Å; S123-S128 WeakPolarHBondContact CA-OG 3.37Å; I125-S128 WeakPolarHBondContact O-CB 3.36Å; F126-S128 PolarHBondContact O-N 3.02Å; F126-S128 VanDerWaalsContact O-N 3.11Å; S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.27Å; S128-E131 PolarHBondContact O-N 3.44Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.47Å; S128-L132 PolarHBondContact O-N 3.07Å
129	S	97.6	Very high	97.3	Very high	103 Å²	103	50.8 Å²	50.8	72%	0.72	29%	0.288	S	S	*	.	H	α-helix	trans	-60.8	-33.8	-178.3	-52.4	0	0	0	0	113.6	N127 A133	N127-S129 VanDerWaalsContact C-N 3.32Å; N127-S129 PolarHBondContact O-N 3.22Å; S129-A133 WeakPolarHBondContact O-CB 3.42Å; S129-A133 PolarHBondContact O-N 3.47Å
130	E	96.9	Very high	97.3	Very high	116 Å²	116	51.9 Å²	51.9	54%	0.542	29%	0.292	S	S	.	.	H	α-helix	trans	-72.1	-46.9	176.1	-175.8	177	-176.1	0	0	110.7	N127 S128 L132 A133 L134	N127-E130 PolarHBondContact O-N 2.8Å; S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.27Å; E130-L132 PolarHBondContact O-N 2.86Å; E130-A133 PolarHBondContact O-N 3.49Å; E130-A133 VanDerWaalsContact O-N 3.17Å; E130-L134 HydrophobicContact CG-CD1 4.14Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.21Å; E130-L134 PolarHBondContact O-N 2.88Å
131	E	96.9	Very high	97.3	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-44.6	178.3	-69.4	-60.8	147.3	0	0	112.1	V122 I125 N127 S128 A133 L134 S135 W181 L182 R185	V122-E131 HydrophobicContact CG1-CB 3.84Å; I125-E131 HydrophobicContact CD1-CG 4.28Å; N127-E131 PolarHBondContact O-N 2.9Å; N127-E131 VanDerWaalsContact O-N 3.12Å; S128-E131 PolarHBondContact O-N 3.44Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.35Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-L134 VanDerWaalsContact O-N 3.15Å; E131-S135 PolarHBondContact O-N 2.93Å; E131-W181 PolarHBondContact OE2-NE1 3.42Å; E131-L182 HydrophobicContact CG-CD2 4.18Å; E131-R185 VanDerWaalsContact CD-NH2 3.3Å; E131-R185 IonicContact OE1-CZ 2.86Å; E131-R185 IonicContact OE1-NE 2.68Å; E131-R185 IonicContact OE1-NH2 3.7Å; E131-R185 PolarHBondContact OE1-NH2 2.83Å; E131-R185 IonicContact OE2-CZ 3.33Å; E131-R185 IonicContact OE2-NE 3.01Å; E131-R185 PolarHBondContact OE2-NE 3.07Å; E131-R185 IonicContact OE2-NH2 3.57Å; E131-R185 PolarHBondContact OE2-NH2 2.84Å; E131-R185 VanDerWaalsContact OE2-NH2 3.13Å
132	L	97.9	Very high	97.3	Very high	29 Å²	29	51 Å²	51	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-37.9	177.3	-65.7	177.7	0	0	0	111.9	V122 S128 E130 L134 S135 L173 A174	V122-L132 HydrophobicContact CB-CD2 4.18Å; V122-L132 HydrophobicContact CG1-CD2 3.69Å; V122-L132 HydrophobicContact CG1-CG 4.05Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.47Å; S128-L132 PolarHBondContact O-N 3.07Å; E130-L132 PolarHBondContact O-N 2.86Å; L132-L134 VanDerWaalsContact C-N 3.3Å; L132-L134 PolarHBondContact O-N 2.91Å; L132-S135 WeakPolarHBondContact O-CB 3.36Å; L132-S135 PolarHBondContact O-N 2.84Å; L132-S135 PolarHBondContact O-OG 2.74Å; L132-L173 HydrophobicContact CD2-CB 3.77Å; L132-A174 HydrophobicContact CD1-CB 4.47Å; L132-A174 HydrophobicContact CD2-CB 4.27Å
133	A	97.1	Very high	97.3	Very high	72 Å²	72	51 Å²	51	60%	0.595	29%	0.286	S	S	*	.	H	α-helix	trans	-69.9	-26.1	176.1	0	0	0	0	0	113	S129 E130 E131	S129-A133 WeakPolarHBondContact O-CB 3.42Å; S129-A133 PolarHBondContact O-N 3.47Å; E130-A133 PolarHBondContact O-N 3.49Å; E130-A133 VanDerWaalsContact O-N 3.17Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.35Å
134	L	94.9	Very high	97.4	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-82.2	-17.5	177.3	-71.3	175.5	0	0	0	113.7	E130 E131 L132 S136 K137 Y138	E130-L134 HydrophobicContact CG-CD1 4.14Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.21Å; E130-L134 PolarHBondContact O-N 2.88Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-L134 VanDerWaalsContact O-N 3.15Å; L132-L134 VanDerWaalsContact C-N 3.3Å; L132-L134 PolarHBondContact O-N 2.91Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.47Å; L134-S136 VanDerWaalsContact O-N 3.14Å; L134-K137 HydrophobicContact CD2-CD 3.76Å; L134-K137 VanDerWaalsContact O-CB 3.31Å; L134-K137 WeakPolarHBondContact O-CB 3.44Å; L134-K137 PolarHBondContact O-N 3.31Å; L134-Y138 HydrophobicContact CB-CE2 4.17Å; L134-Y138 WeakPolarHBondContact O-CD2 3.15Å
135	S	93.7	Very high	97.4	Very high	6 Å²	6	47 Å²	47	4%	0.042	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-41.5	-52.1	-175.2	59.5	0	0	0	0	114.6	E131 L132 K137 Y138 P168 S170 L173	E131-S135 PolarHBondContact O-N 2.93Å; L132-S135 WeakPolarHBondContact O-CB 3.36Å; L132-S135 PolarHBondContact O-N 2.84Å; L132-S135 PolarHBondContact O-OG 2.74Å; S135-K137 PolarHBondContact O-N 3.13Å; S135-K137 VanDerWaalsContact O-N 3.16Å; S135-Y138 PolarHBondContact O-N 2.7Å; S135-Y138 VanDerWaalsContact O-N 3.1Å; S135-P168 WeakPolarHBondContact O-CG 3.32Å; S135-S170 PolarHBondContact OG-N 2.9Å; S135-L173 VanDerWaalsContact CB-CD1 3.45Å
136	S	94.4	Very high	97.3	Very high	90 Å²	90	46.8 Å²	46.8	63%	0.629	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.3	-177	61.8	0	0	0	0	114.8	L134 Y138	L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.47Å; L134-S136 VanDerWaalsContact O-N 3.14Å; S136-Y138 PolarHBondContact O-N 3.19Å
137	K	96.7	Very high	97.3	Very high	141 Å²	141	43.3 Å²	43.3	61%	0.613	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-77	-11.7	174.8	-60.8	-174.1	-176.2	172.2	0	113	L134 S135 P139	L134-K137 HydrophobicContact CD2-CD 3.76Å; L134-K137 VanDerWaalsContact O-CB 3.31Å; L134-K137 WeakPolarHBondContact O-CB 3.44Å; L134-K137 PolarHBondContact O-N 3.31Å; S135-K137 PolarHBondContact O-N 3.13Å; S135-K137 VanDerWaalsContact O-N 3.16Å; K137-P139 WeakPolarHBondContact O-CD 3.26Å
138	Y	97.9	Very high	97.2	Very high	34 Å²	34	41.9 Å²	41.9	13%	0.133	24%	0.237	C	C	.	.			trans	-117.7	54.2	-177	-61.4	-78.6	0	0	0	112	L134 S135 S136 H140 V141 P168 W181 R185 Y188 E189	L134-Y138 HydrophobicContact CB-CE2 4.17Å; L134-Y138 WeakPolarHBondContact O-CD2 3.15Å; S135-Y138 PolarHBondContact O-N 2.7Å; S135-Y138 VanDerWaalsContact O-N 3.1Å; S136-Y138 PolarHBondContact O-N 3.19Å; Y138-H140 PolarHBondContact O-N 3.41Å; Y138-V141 PolarHBondContact O-N 3.42Å; Y138-P168 WeakPolarHBondContact O-CG 3.41Å; Y138-W181 HydrophobicContact CD2-CZ2 4.26Å; Y138-R185 HydrophobicContact CD1-CG 3.96Å; Y138-R185 HydrophobicContact CD2-CG 4.05Å; Y138-R185 HydrophobicContact CE1-CG 3.81Å; Y138-R185 VanDerWaalsContact CE2-CD 3.42Å; Y138-R185 HydrophobicContact CE2-CG 3.89Å; Y138-R185 HydrophobicContact CG-CG 4.09Å; Y138-Y188 AromaticContact CD1-CD1 3.71Å; Y138-Y188 HydrophobicContact CD1-CD1 3.71Å; Y138-Y188 HydrophobicContact CD1-CE1 4.07Å; Y138-Y188 HydrophobicContact CE1-CD1 4.21Å; Y138-E189 HydrophobicContact CE1-CG 3.95Å; Y138-E189 PolarHBondContact OH-OE1 3.15Å
139	P	97.9	Very high	97.1	Very high	55 Å²	55	43 Å²	43	36%	0.357	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.2	-174.2	31.2	-38.5	0	0	0	113.9	K137 R142	K137-P139 WeakPolarHBondContact O-CD 3.26Å; P139-R142 PolarHBondContact O-NE 3.22Å; P139-R142 PolarHBondContact O-NH2 2.98Å
140	H	98.7	Very high	96.8	Very high	69 Å²	69	39.1 Å²	39.1	32%	0.319	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	7.5	178.3	-60.8	160.3	0	0	0	113.4	L105 Y138 Y188 P194 I195	L105-H140 HydrophobicContact CD1-CB 4.2Å; Y138-H140 PolarHBondContact O-N 3.41Å; H140-Y188 HydrophobicContact CB-CD2 4.25Å; H140-Y188 HydrophobicContact CB-CE2 3.53Å; H140-Y188 PolarHBondContact ND1-OH 2.85Å; H140-P194 HydrophobicContact CB-CB 4.26Å; H140-P194 HydrophobicContact CB-CG 4.26Å; H140-P194 VanDerWaalsContact O-CA 3.31Å; H140-P194 WeakPolarHBondContact O-CA 3.39Å; H140-I195 PolarHBondContact O-N 2.03Å
141	V	98.8	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.9	169.4	-175.8	0	0	0	0	107.4	Y138 P143 P168 W181 Y188 I195 L197	Y138-V141 PolarHBondContact O-N 3.42Å; V141-P143 WeakPolarHBondContact O-CD 3.27Å; V141-P168 VanDerWaalsContact O-CD 3.29Å; V141-P168 WeakPolarHBondContact O-CD 3.31Å; V141-P168 WeakPolarHBondContact O-CG 3.44Å; V141-W181 HydrophobicContact CB-CH2 4.33Å; V141-W181 HydrophobicContact CB-CZ3 3.85Å; V141-W181 HydrophobicContact CG1-CE3 3.98Å; V141-W181 HydrophobicContact CG1-CH2 4.43Å; V141-W181 HydrophobicContact CG1-CZ3 3.59Å; V141-Y188 HydrophobicContact CG2-CD1 4.3Å; V141-Y188 HydrophobicContact CG2-CD2 4.04Å; V141-Y188 HydrophobicContact CG2-CG 3.68Å; V141-I195 WeakPolarHBondContact CA-O 3.39Å; V141-L197 HydrophobicContact CG1-CD1 3.66Å; V141-L197 HydrophobicContact CG1-CG 4.25Å
142	R	98.8	Very high	96.1	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114	-168	-57.7	-66.9	-179.4	138.4	7.2	110.4	H30 V32 D103 L105 P139 W165 S166 A167 I195 L197	H30-R142 PolarHBondContact ND1-NH1 3.3Å; H30-R142 WeakPolarHBondContact O-CD 3.3Å; H30-R142 WeakPolarHBondContact O-CG 3.25Å; V32-R142 HydrophobicContact CG2-CB 3.73Å; V32-R142 HydrophobicContact CG2-CG 3.62Å; D103-R142 IonicContact OD1-NH2 3.45Å; D103-R142 IonicContact OD2-CZ 3.48Å; D103-R142 IonicContact OD2-NH1 3.14Å; D103-R142 PolarHBondContact OD2-NH1 3.49Å; D103-R142 IonicContact OD2-NH2 3.81Å; D103-R142 PolarHBondContact OD2-NH2 3.2Å; L105-R142 HydrophobicContact CD1-CG 4.25Å; P139-R142 PolarHBondContact O-NE 3.22Å; P139-R142 PolarHBondContact O-NH2 2.98Å; R142-W165 HydrophobicContact CB-CE3 3.94Å; R142-W165 HydrophobicContact CB-CZ3 4.14Å; R142-W165 WeakPolarHBondContact O-CZ3 3.3Å; R142-S166 WeakPolarHBondContact CD-O 3.46Å; R142-A167 VanDerWaalsContact NH1-CA 3.26Å; R142-A167 VanDerWaalsContact NH1-CB 3.32Å; R142-A167 VanDerWaalsContact NH1-N 3.16Å; R142-I195 PolarHBondContact N-O 2.79Å; R142-L197 PolarHBondContact O-N 2.97Å
143	P	98.8	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	150.7	174.4	33.1	-35.7	0	0	0	112	V141 W165 S166 V172 L173 F176 L197	V141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-W165 WeakPolarHBondContact O-CA 3.46Å; P143-S166 WeakPolarHBondContact CD-O 3.4Å; P143-V172 HydrophobicContact CG-CG1 3.79Å; P143-L173 HydrophobicContact CG-CD2 4.15Å; P143-F176 HydrophobicContact CB-CD1 3.96Å; P143-F176 HydrophobicContact CB-CD2 3.82Å; P143-F176 HydrophobicContact CB-CE1 3.8Å; P143-F176 HydrophobicContact CB-CE2 3.67Å; P143-F176 HydrophobicContact CB-CG 3.96Å; P143-F176 HydrophobicContact CB-CZ 3.66Å; P143-L197 CarbonylContact C-O 3.59Å
144	F	98.9	Very high	95.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	137.7	169	168.1	-83.4	0	0	0	108.6	L158 V161 I163 W165 F176 L197 V198 E199 F256	F144-L158 HydrophobicContact CE1-CD1 4.27Å; F144-L158 HydrophobicContact CZ-CD1 3.76Å; F144-V161 HydrophobicContact CD2-CG1 4.14Å; F144-V161 HydrophobicContact CE2-CB 4.32Å; F144-V161 HydrophobicContact CE2-CG1 3.47Å; F144-V161 VanDerWaalsContact CE2-CG1 3.47Å; F144-V161 HydrophobicContact CE2-CG2 3.83Å; F144-V161 HydrophobicContact CZ-CB 4.48Å; F144-V161 HydrophobicContact CZ-CG1 3.93Å; F144-V161 HydrophobicContact CZ-CG2 3.82Å; F144-I163 WeakPolarHBondContact CA-O 3.46Å; F144-W165 HydrophobicContact CB-CD2 3.52Å; F144-W165 HydrophobicContact CB-CE3 3.73Å; F144-W165 HydrophobicContact CB-CG 4.07Å; F144-W165 HydrophobicContact CB-CH2 4.01Å; F144-W165 HydrophobicContact CB-CZ2 3.81Å; F144-W165 HydrophobicContact CB-CZ3 3.97Å; F144-W165 AromaticContact CD2-CD1 3.43Å; F144-W165 VanDerWaalsContact CD2-CD1 3.43Å; F144-W165 HydrophobicContact CD2-CD2 4.09Å; F144-W165 AromaticContact CD2-CE2 3.79Å; F144-W165 AromaticContact CD2-CG 3.88Å; F144-W165 HydrophobicContact CD2-CG 3.88Å; F144-W165 AromaticContact CD2-NE1 3.35Å; F144-W165 VanDerWaalsContact CD2-NE1 3.35Å; F144-W165 AromaticContact CE2-NE1 3.91Å; F144-W165 HydrophobicContact CG-CD2 4.09Å; F144-W165 AromaticContact CG-CE2 3.72Å; F144-W165 HydrophobicContact CG-CG 4.36Å; F144-W165 HydrophobicContact CG-CZ2 4.08Å; F144-W165 AromaticContact CG-NE1 3.76Å; F144-F176 WeakPolarHBondContact O-CE2 3.47Å; F144-L197 PolarHBondContact N-O 2.9Å; F144-V198 HydrophobicContact CD1-CB 4.45Å; F144-V198 HydrophobicContact CD1-CG1 3.9Å; F144-V198 HydrophobicContact CD1-CG2 4.4Å; F144-V198 HydrophobicContact CE1-CG1 4.24Å; F144-V198 CarbonylContact O-C 3.6Å; F144-V198 WeakPolarHBondContact O-CA 3.36Å; F144-E199 PolarHBondContact O-N 3.36Å; F144-F256 AromaticContact CE1-CE1 3.78Å; F144-F256 HydrophobicContact CE1-CE1 3.78Å; F144-F256 AromaticContact CE1-CZ 3.76Å; F144-F256 HydrophobicContact CE1-CZ 3.76Å; F144-F256 HydrophobicContact CZ-CE1 4.26Å; F144-F256 HydrophobicContact CZ-CZ 4.44Å
145	M	98.7	Very high	95.8	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.089	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.4	-179.7	-173.2	-176	174.3	0	0	110.7	L119 E162 I163 F176 E199	L119-M145 HydrophobicContact CD1-CE 3.82Å; M145-E162 HydrophobicContact CB-CB 4.43Å; M145-E162 HydrophobicContact CG-CB 4.25Å; M145-E162 PolarHBondContact O-N 3.1Å; M145-E162 HydrophobicContact SD-CB 4.32Å; M145-E162 HydrophobicContact SD-CG 4.15Å; M145-I163 HydrophobicContact CB-CB 3.69Å; M145-I163 HydrophobicContact CB-CD1 4.12Å; M145-I163 HydrophobicContact CB-CG1 3.95Å; M145-I163 PolarHBondContact N-O 3.49Å; M145-I163 PolarHBondContact O-N 2.76Å; M145-I163 VanDerWaalsContact O-N 3.08Å; M145-I163 HydrophobicContact SD-CD1 3.86Å; M145-I163 HydrophobicContact SD-CG1 4.18Å; M145-F176 HydrophobicContact CB-CD2 4.29Å; M145-F176 HydrophobicContact CB-CE2 4.25Å; M145-E199 HydrophobicContact CB-CB 4.23Å; M145-E199 HydrophobicContact CG-CB 4.07Å; M145-E199 HydrophobicContact CG-CG 4.08Å
146	T	98	Very high	96	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	147.3	169.9	-174.3	0	0	0	0	111.1	L158 E199 M252 F256	T146-L158 WeakPolarHBondContact OG1-CD2 3.23Å; T146-E199 WeakPolarHBondContact CG2-O 3.35Å; T146-E199 PolarHBondContact N-O 3.08Å; T146-E199 VanDerWaalsContact N-O 3.11Å; T146-M252 HydrophobicContact CG2-CB 4.43Å; T146-M252 HydrophobicContact CG2-CE 3.74Å; T146-F256 HydrophobicContact CG2-CE2 4.37Å; T146-F256 HydrophobicContact CG2-CZ 4.5Å
147	A	96.9	Very high	96.1	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	21%	0.21	C	C	.	.			trans	-70	157.3	169.9	0	0	0	0	0	111.3	N149 Q160 E162	A147-N149 PolarHBondContact O-N 2.98Å; A147-Q160 HydrophobicContact CB-CB 3.75Å; A147-Q160 HydrophobicContact CB-CG 3.74Å; A147-Q160 WeakPolarHBondContact CB-O 3.44Å; A147-Q160 PolarHBondContact N-O 3.1Å; A147-Q160 VanDerWaalsContact N-O 3.16Å; A147-E162 HydrophobicContact CB-CB 4.21Å
148	L	94.9	Very high	96.1	Very high	70 Å²	70	35.1 Å²	35.1	37%	0.366	18%	0.182	S	C	.	.			trans	-70.2	114.6	175.8	-60.5	-174.5	0	0	0	109.6	S201 W202 M252	L148-S201 VanDerWaalsContact CD2-O 3.28Å; L148-S201 WeakPolarHBondContact CD2-O 3.3Å; L148-W202 HydrophobicContact CB-CD2 4.19Å; L148-W202 HydrophobicContact CB-CE3 3.76Å; L148-W202 HydrophobicContact CB-CH2 3.82Å; L148-W202 HydrophobicContact CB-CZ2 4.22Å; L148-W202 HydrophobicContact CB-CZ3 3.6Å; L148-W202 HydrophobicContact CD1-CD2 4.23Å; L148-W202 HydrophobicContact CD1-CZ2 4.4Å; L148-W202 HydrophobicContact CD2-CB 4.12Å; L148-W202 HydrophobicContact CD2-CD2 3.8Å; L148-W202 HydrophobicContact CD2-CE3 3.8Å; L148-W202 HydrophobicContact CD2-CG 3.98Å; L148-W202 HydrophobicContact CG-CD2 4.29Å; L148-W202 HydrophobicContact CG-CE3 4.25Å; L148-M252 HydrophobicContact CD2-CE 3.93Å
149	N	93.9	Very high	95.9	Very high	42 Å²	42	38.6 Å²	38.6	23%	0.225	20%	0.202	C	C	.	.			trans	-145.1	156.8	176	-143.7	-49.2	0	0	0	112.5	A147 I159 W202 L248 A251 M252	A147-N149 PolarHBondContact O-N 2.98Å; N149-I159 HydrophobicContact CB-CD1 4.46Å; N149-I159 VanDerWaalsContact CG-CD1 3.46Å; N149-I159 WeakPolarHBondContact ND2-CB 3.38Å; N149-I159 VanDerWaalsContact ND2-CD1 3.28Å; N149-I159 WeakPolarHBondContact ND2-CD1 3.32Å; N149-I159 WeakPolarHBondContact ND2-CG2 3.16Å; N149-I159 WeakPolarHBondContact OD1-CD1 3.45Å; N149-W202 VanDerWaalsContact N-CZ3 3.32Å; N149-L248 WeakPolarHBondContact O-CD2 3.46Å; N149-A251 HydrophobicContact CB-CB 4.26Å; N149-A251 WeakPolarHBondContact O-CB 3.23Å; N149-M252 WeakPolarHBondContact O-CG 3.06Å
150	M	91.4	Very high	95.8	Very high	21 Å²	21	41.3 Å²	41.3	10%	0.103	21%	0.21	C	C	.	.			trans	-131.9	144.4	178.9	-73.6	-171.3	-67.7	0	0	109.3	W202 I235 M242 V247 L248	M150-W202 HydrophobicContact CE-CH2 4.3Å; M150-W202 HydrophobicContact CG-CH2 4.07Å; M150-W202 HydrophobicContact CG-CZ3 3.86Å; M150-I235 HydrophobicContact CE-CB 4.44Å; M150-I235 HydrophobicContact CE-CG2 3.55Å; M150-M242 HydrophobicContact SD-CG 4.48Å; M150-V247 HydrophobicContact CB-CB 4.14Å; M150-V247 HydrophobicContact CB-CG2 4.35Å; M150-V247 HydrophobicContact CG-CB 4.24Å; M150-V247 HydrophobicContact CG-CG2 3.9Å; M150-V247 HydrophobicContact SD-CB 4.44Å; M150-V247 HydrophobicContact SD-CG2 3.73Å; M150-L248 HydrophobicContact CG-CD2 3.64Å
151	S	91.6	Very high	95.8	Very high	16 Å²	16	39.9 Å²	39.9	11%	0.112	21%	0.206	C	C	.	.			trans	-143.3	142.2	173.8	-178.5	0	0	0	0	111.6	T153 V247 N250	S151-T153 VanDerWaalsContact CB-O 3.26Å; S151-T153 WeakPolarHBondContact CB-O 3.41Å; S151-T153 PolarHBondContact O-N 3.47Å; S151-T153 PolarHBondContact OG-N 3.41Å; S151-T153 VanDerWaalsContact OG-N 3.13Å; S151-T153 PolarHBondContact OG-O 3.17Å; S151-V247 PolarHBondContact N-O 3.24Å; S151-V247 VanDerWaalsContact N-O 3.09Å; S151-V247 WeakPolarHBondContact O-CA 3.38Å; S151-N250 VanDerWaalsContact O-CB 3.31Å; S151-N250 WeakPolarHBondContact O-CB 3.37Å; S151-N250 PolarHBondContact O-ND2 2.59Å
152	K	88.2	Confident	95.7	Very high	69 Å²	69	44.5 Å²	44.5	30%	0.3	23%	0.227	S	C	.	.	S	Bend	trans	-72.2	-17.5	171.5	-64.4	-177	-177.5	175.3	0	112.1	L230 I235 N250	K152-L230 PolarHBondContact NZ-O 3.48Å; K152-I235 HydrophobicContact CG-CD1 4.31Å; K152-N250 VanDerWaalsContact C-ND2 3.32Å; K152-N250 PolarHBondContact O-ND2 2.81Å
153	T	91.3	Very high	95.7	Very high	94 Å²	94	44.6 Å²	44.6	58%	0.577	23%	0.229	S	C	*	.	S	Bend	trans	-130.7	148	-179.2	55.1	0	0	0	0	111.6	S151 L155 N250	S151-T153 VanDerWaalsContact CB-O 3.26Å; S151-T153 WeakPolarHBondContact CB-O 3.41Å; S151-T153 PolarHBondContact O-N 3.47Å; S151-T153 PolarHBondContact OG-N 3.41Å; S151-T153 VanDerWaalsContact OG-N 3.13Å; S151-T153 PolarHBondContact OG-O 3.17Å; T153-L155 PolarHBondContact O-N 3.3Å; T153-N250 PolarHBondContact N-ND2 3.07Å; T153-N250 WeakPolarHBondContact O-CB 3.23Å
154	E	96.1	Very high	95.7	Very high	85 Å²	85	48.6 Å²	48.6	40%	0.397	26%	0.255	S	S	.	.			trans	-54.6	120.1	175.9	-71.9	178.9	150.3	0	0	111	R214 W249 N250 H254	E154-R214 IonicContact OE1-NH1 3.96Å; E154-R214 PolarHBondContact OE1-NH1 3.18Å; E154-R214 VanDerWaalsContact OE1-NH1 3.14Å; E154-W249 PolarHBondContact OE1-NE1 2.71Å; E154-N250 WeakPolarHBondContact CG-OD1 3.49Å; E154-H254 HydrophobicContact CB-CB 4.42Å; E154-H254 HydrophobicContact CG-CB 4.4Å; E154-H254 IonicContact OE1-CD2 3.32Å; E154-H254 PolarHBondContact OE1-CD2 3.05Å; E154-H254 IonicContact OE2-CD2 3.1Å; E154-H254 IonicContact OE2-NE2 2.77Å
155	L	96.9	Very high	95.7	Very high	36 Å²	36	49 Å²	49	19%	0.188	26%	0.256	C	S	.	.			trans	-89.4	137.8	177.8	-60.4	-176.1	0	0	0	110.2	T153 I159 N250 A251 H254 P255	T153-L155 PolarHBondContact O-N 3.3Å; L155-I159 HydrophobicContact CD1-CD1 3.42Å; L155-I159 VanDerWaalsContact CD1-CD1 3.42Å; L155-I159 HydrophobicContact CD1-CG1 3.76Å; L155-N250 PolarHBondContact N-O 3.22Å; L155-A251 HydrophobicContact CD1-CB 3.99Å; L155-H254 PolarHBondContact O-ND1 3.33Å; L155-P255 HydrophobicContact CB-CG 4.08Å
156	I	96.3	Very high	95.6	Very high	88 Å²	88	49 Å²	49	45%	0.451	26%	0.258	S	S	.	.	S	Bend	trans	-74.2	-35.5	179.8	-62.9	173.7	0	0	0	111.3	W43 I74	W43-I156 HydrophobicContact CH2-CG2 3.77Å; W43-I156 WeakPolarHBondContact CH2-O 3.34Å; W43-I156 HydrophobicContact CZ3-CG2 3.98Å; I74-I156 HydrophobicContact CD1-CG2 4.12Å
157	D	97.6	Very high	95.6	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.08	27%	0.273	C	S	.	.	S	Bend	trans	-135.2	164	-177.9	-157.3	-2.6	0	0	0	110.5	R22 A24 S25 W43 Y45	R22-D157 IonicContact NH1-OD2 3.94Å; A24-D157 WeakPolarHBondContact CA-OD2 3.4Å; S25-D157 VanDerWaalsContact CB-OD1 3.28Å; S25-D157 WeakPolarHBondContact CB-OD1 3.45Å; S25-D157 VanDerWaalsContact N-CG 3.31Å; S25-D157 PolarHBondContact N-OD1 3.22Å; S25-D157 PolarHBondContact N-OD2 2.98Å; S25-D157 PolarHBondContact OG-OD2 3.07Å; W43-D157 HydrophobicContact CH2-CB 3.9Å; Y45-D157 HydrophobicContact CE2-CB 4.49Å; Y45-D157 WeakPolarHBondContact CE2-OD2 3.33Å; Y45-D157 WeakPolarHBondContact OH-CB 3.32Å
158	L	96.8	Very high	95.5	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	27%	0.273	C	S	.	.			trans	-68.9	138.9	176.4	-65.4	180	0	0	0	110.8	S25 F144 T146 V161 P255 F256	S25-L158 PolarHBondContact OG-O 2.77Å; F144-L158 HydrophobicContact CE1-CD1 4.27Å; F144-L158 HydrophobicContact CZ-CD1 3.76Å; T146-L158 WeakPolarHBondContact OG1-CD2 3.23Å; L158-V161 HydrophobicContact CD1-CG2 3.99Å; L158-P255 HydrophobicContact CD2-CB 3.65Å; L158-P255 HydrophobicContact CD2-CG 3.96Å; L158-P255 HydrophobicContact CG-CB 4.06Å; L158-F256 HydrophobicContact CD1-CE1 3.75Å; L158-F256 HydrophobicContact CD1-CZ 3.66Å; L158-F256 HydrophobicContact CD2-CE1 4.3Å; L158-F256 HydrophobicContact CD2-CE2 4.08Å; L158-F256 HydrophobicContact CD2-CZ 3.79Å; L158-F256 HydrophobicContact CG-CE1 4.25Å; L158-F256 HydrophobicContact CG-CZ 4.15Å
159	I	93.8	Very high	95.5	Very high	106 Å²	106	50.5 Å²	50.5	54%	0.544	27%	0.272	S	S	.	.	S	Bend	trans	-69.6	-42.9	170.1	-67.1	167.1	0	0	0	110.3	N149 L155	N149-I159 HydrophobicContact CB-CD1 4.46Å; N149-I159 VanDerWaalsContact CG-CD1 3.46Å; N149-I159 WeakPolarHBondContact ND2-CB 3.38Å; N149-I159 VanDerWaalsContact ND2-CD1 3.28Å; N149-I159 WeakPolarHBondContact ND2-CD1 3.32Å; N149-I159 WeakPolarHBondContact ND2-CG2 3.16Å; N149-I159 WeakPolarHBondContact OD1-CD1 3.45Å; L155-I159 HydrophobicContact CD1-CD1 3.42Å; L155-I159 VanDerWaalsContact CD1-CD1 3.42Å; L155-I159 HydrophobicContact CD1-CG1 3.76Å
160	Q	95.9	Very high	95.7	Very high	113 Å²	113	51.7 Å²	51.7	53%	0.528	28%	0.284	S	S	.	.			trans	-152.8	144.4	-177	-177.8	179.6	-2.3	0	0	111.4	A147	A147-Q160 HydrophobicContact CB-CB 3.75Å; A147-Q160 HydrophobicContact CB-CG 3.74Å; A147-Q160 WeakPolarHBondContact CB-O 3.44Å; A147-Q160 PolarHBondContact N-O 3.1Å; A147-Q160 VanDerWaalsContact N-O 3.16Å
161	V	98	Very high	95.9	Very high	38 Å²	38	54.6 Å²	54.6	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.4	169.5	176.7	0	0	0	0	108.1	F144 L158 I163 P164	F144-V161 HydrophobicContact CD2-CG1 4.14Å; F144-V161 HydrophobicContact CE2-CB 4.32Å; F144-V161 HydrophobicContact CE2-CG1 3.47Å; F144-V161 VanDerWaalsContact CE2-CG1 3.47Å; F144-V161 HydrophobicContact CE2-CG2 3.83Å; F144-V161 HydrophobicContact CZ-CB 4.48Å; F144-V161 HydrophobicContact CZ-CG1 3.93Å; F144-V161 HydrophobicContact CZ-CG2 3.82Å; L158-V161 HydrophobicContact CD1-CG2 3.99Å; V161-I163 WeakPolarHBondContact CG1-O 3.42Å; V161-P164 HydrophobicContact CG1-CB 4.36Å
162	E	97.8	Very high	96.1	Very high	97 Å²	97	55.1 Å²	55.1	45%	0.453	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-54.8	177.6	-170.3	63.8	-157.5	0	0	110.3	M145 A147	M145-E162 HydrophobicContact CB-CB 4.43Å; M145-E162 HydrophobicContact CG-CB 4.25Å; M145-E162 PolarHBondContact O-N 3.1Å; M145-E162 HydrophobicContact SD-CB 4.32Å; M145-E162 HydrophobicContact SD-CG 4.15Å; A147-E162 HydrophobicContact CB-CB 4.21Å
163	I	98.1	Very high	96.5	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.5	176.6	-57.9	178.5	0	0	0	107.8	F144 M145 V161 V172 E175 F176	F144-I163 WeakPolarHBondContact CA-O 3.46Å; M145-I163 HydrophobicContact CB-CB 3.69Å; M145-I163 HydrophobicContact CB-CD1 4.12Å; M145-I163 HydrophobicContact CB-CG1 3.95Å; M145-I163 PolarHBondContact N-O 3.49Å; M145-I163 PolarHBondContact O-N 2.76Å; M145-I163 VanDerWaalsContact O-N 3.08Å; M145-I163 HydrophobicContact SD-CD1 3.86Å; M145-I163 HydrophobicContact SD-CG1 4.18Å; V161-I163 WeakPolarHBondContact CG1-O 3.42Å; I163-V172 HydrophobicContact CG2-CG1 3.69Å; I163-E175 HydrophobicContact CD1-CB 4.2Å; I163-F176 HydrophobicContact CD1-CB 4.45Å; I163-F176 HydrophobicContact CD1-CD2 4.3Å
164	P	98.3	Very high	96.8	Very high	84 Å²	84	48.4 Å²	48.4	55%	0.545	28%	0.275	S	S	.	.			trans	-67.6	160	174.6	29.8	-34.7	0	0	0	110.9	V161 S166	V161-P164 HydrophobicContact CG1-CB 4.36Å; P164-S166 PolarHBondContact O-N 3.38Å; P164-S166 PolarHBondContact O-OG 3.04Å
165	W	98.7	Very high	96.9	Very high	10 Å²	10	50 Å²	50	4%	0.038	28%	0.283	C	S	.	.	S	Bend	trans	-50.2	131.8	172.7	-69.8	102.9	0	0	0	110.9	Y26 D29 M31 V32 R142 P143 F144 V198 M259	Y26-W165 VanDerWaalsContact O-CD1 3.3Å; Y26-W165 PolarHBondContact O-NE1 2.77Å; D29-W165 VanDerWaalsContact O-CB 3.23Å; D29-W165 WeakPolarHBondContact O-CB 3.31Å; M31-W165 HydrophobicContact CB-CB 3.89Å; M31-W165 HydrophobicContact CB-CD2 3.51Å; M31-W165 HydrophobicContact CB-CE3 4.13Å; M31-W165 HydrophobicContact CB-CG 3.38Å; V32-W165 HydrophobicContact CB-CZ3 4.47Å; R142-W165 HydrophobicContact CB-CE3 3.94Å; R142-W165 HydrophobicContact CB-CZ3 4.14Å; R142-W165 WeakPolarHBondContact O-CZ3 3.3Å; P143-W165 WeakPolarHBondContact O-CA 3.46Å; F144-W165 HydrophobicContact CB-CD2 3.52Å; F144-W165 HydrophobicContact CB-CE3 3.73Å; F144-W165 HydrophobicContact CB-CG 4.07Å; F144-W165 HydrophobicContact CB-CH2 4.01Å; F144-W165 HydrophobicContact CB-CZ2 3.81Å; F144-W165 HydrophobicContact CB-CZ3 3.97Å; F144-W165 AromaticContact CD2-CD1 3.43Å; F144-W165 VanDerWaalsContact CD2-CD1 3.43Å; F144-W165 HydrophobicContact CD2-CD2 4.09Å; F144-W165 AromaticContact CD2-CE2 3.79Å; F144-W165 AromaticContact CD2-CG 3.88Å; F144-W165 HydrophobicContact CD2-CG 3.88Å; F144-W165 AromaticContact CD2-NE1 3.35Å; F144-W165 VanDerWaalsContact CD2-NE1 3.35Å; F144-W165 AromaticContact CE2-NE1 3.91Å; F144-W165 HydrophobicContact CG-CD2 4.09Å; F144-W165 AromaticContact CG-CE2 3.72Å; F144-W165 HydrophobicContact CG-CG 4.36Å; F144-W165 HydrophobicContact CG-CZ2 4.08Å; F144-W165 AromaticContact CG-NE1 3.76Å; W165-V198 HydrophobicContact CH2-CG2 3.65Å; W165-V198 HydrophobicContact CZ2-CG2 3.76Å; W165-M259 HydrophobicContact CZ2-CE 4.41Å
166	S	97.9	Very high	97	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	27%	0.274	C	S	.	.			trans	-154.7	159	-176.1	56	0	0	0	0	112.4	R142 P143 P164	R142-S166 WeakPolarHBondContact CD-O 3.46Å; P143-S166 WeakPolarHBondContact CD-O 3.4Å; P164-S166 PolarHBondContact O-N 3.38Å; P164-S166 PolarHBondContact O-OG 3.04Å
167	A	97.2	Very high	97.1	Very high	41 Å²	41	44.1 Å²	44.1	34%	0.339	25%	0.252	S	S	.	.			trans	-65.5	136.4	160.1	0	0	0	0	0	108.8	R142 N169	R142-A167 VanDerWaalsContact NH1-CA 3.26Å; R142-A167 VanDerWaalsContact NH1-CB 3.32Å; R142-A167 VanDerWaalsContact NH1-N 3.16Å; A167-N169 PolarHBondContact O-N 3.07Å; A167-N169 PolarHBondContact O-ND2 3.12Å
168	P	95.6	Very high	97.2	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.039	25%	0.248	C	C	.	.			trans	-64.4	132.8	-178.1	24.8	-32	0	0	0	110.9	S135 Y138 V141 L173 W181	S135-P168 WeakPolarHBondContact O-CG 3.32Å; Y138-P168 WeakPolarHBondContact O-CG 3.41Å; V141-P168 VanDerWaalsContact O-CD 3.29Å; V141-P168 WeakPolarHBondContact O-CD 3.31Å; V141-P168 WeakPolarHBondContact O-CG 3.44Å; P168-L173 HydrophobicContact CB-CD1 4.12Å; P168-L173 HydrophobicContact CB-CD2 4.24Å; P168-L173 HydrophobicContact CB-CG 4.23Å; P168-W181 HydrophobicContact CB-CH2 3.7Å; P168-W181 HydrophobicContact CB-CZ3 3.72Å; P168-W181 HydrophobicContact CG-CH2 3.96Å; P168-W181 HydrophobicContact CG-CZ3 4.12Å
169	N	95.4	Very high	97.3	Very high	62 Å²	62	43 Å²	43	33%	0.332	25%	0.247	S	C	.	.			trans	-141.5	165.4	171.3	67.4	76.3	0	0	0	109.3	A167 S171 V172 L173	A167-N169 PolarHBondContact O-N 3.07Å; A167-N169 PolarHBondContact O-ND2 3.12Å; N169-S171 VanDerWaalsContact C-N 3.25Å; N169-S171 PolarHBondContact O-N 3.43Å; N169-S171 WeakPolarHBondContact OD1-CA 3.33Å; N169-S171 WeakPolarHBondContact OD1-CB 3.5Å; N169-S171 PolarHBondContact OD1-N 2.87Å; N169-V172 VanDerWaalsContact ND2-CG2 3.31Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.47Å; N169-V172 PolarHBondContact O-N 2.73Å; N169-V172 PolarHBondContact OD1-N 3.46Å; N169-L173 WeakPolarHBondContact O-CG 3.35Å; N169-L173 PolarHBondContact O-N 3.32Å
170	S	96.6	Very high	97.5	Very high	68 Å²	68	38 Å²	38	48%	0.476	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-32.6	-174.9	57.9	0	0	0	0	113.8	S135 A174	S135-S170 PolarHBondContact OG-N 2.9Å; S170-A174 VanDerWaalsContact O-CB 3.25Å; S170-A174 WeakPolarHBondContact O-CB 3.28Å; S170-A174 PolarHBondContact O-N 3.13Å; S170-A174 VanDerWaalsContact O-N 3.13Å
171	S	96.1	Very high	97.6	Very high	81 Å²	81	32.6 Å²	32.6	57%	0.566	20%	0.196	S	C	*	.	H	α-helix	trans	-71.7	-47.5	180	-165.1	0	0	0	0	111.2	N169 A174	N169-S171 VanDerWaalsContact C-N 3.25Å; N169-S171 PolarHBondContact O-N 3.43Å; N169-S171 WeakPolarHBondContact OD1-CA 3.33Å; N169-S171 WeakPolarHBondContact OD1-CB 3.5Å; N169-S171 PolarHBondContact OD1-N 2.87Å; S171-A174 PolarHBondContact O-N 3.35Å
172	V	95.2	Very high	97.7	Very high	28 Å²	28	30.8 Å²	30.8	17%	0.17	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-47.1	178.6	168	0	0	0	0	110.8	P143 I163 N169 A174 E175 F176	P143-V172 HydrophobicContact CG-CG1 3.79Å; I163-V172 HydrophobicContact CG2-CG1 3.69Å; N169-V172 VanDerWaalsContact ND2-CG2 3.31Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.47Å; N169-V172 PolarHBondContact O-N 2.73Å; N169-V172 PolarHBondContact OD1-N 3.46Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 2.63Å; V172-E175 PolarHBondContact O-N 3.08Å; V172-F176 PolarHBondContact O-N 2.97Å
173	L	97.4	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-27.4	-176.8	-67.1	-168.5	0	0	0	113.1	V122 L132 S135 P143 P168 N169 E175 F176 W181	V122-L173 WeakPolarHBondContact CB-O 3.42Å; V122-L173 HydrophobicContact CG2-CB 4.3Å; V122-L173 WeakPolarHBondContact CG2-O 3.16Å; L132-L173 HydrophobicContact CD2-CB 3.77Å; S135-L173 VanDerWaalsContact CB-CD1 3.45Å; P143-L173 HydrophobicContact CG-CD2 4.15Å; P168-L173 HydrophobicContact CB-CD1 4.12Å; P168-L173 HydrophobicContact CB-CD2 4.24Å; P168-L173 HydrophobicContact CB-CG 4.23Å; N169-L173 WeakPolarHBondContact O-CG 3.35Å; N169-L173 PolarHBondContact O-N 3.32Å; L173-E175 PolarHBondContact O-N 2.98Å; L173-E175 VanDerWaalsContact O-N 3.14Å; L173-F176 HydrophobicContact CD2-CB 4.38Å; L173-F176 HydrophobicContact CD2-CD1 4.47Å; L173-F176 PolarHBondContact O-N 3.22Å; L173-F176 VanDerWaalsContact O-N 3.16Å; L173-W181 HydrophobicContact CD1-CD2 3.64Å; L173-W181 VanDerWaalsContact CD1-CE2 3.42Å; L173-W181 HydrophobicContact CD1-CE3 3.87Å; L173-W181 HydrophobicContact CD1-CG 4.31Å; L173-W181 HydrophobicContact CD1-CH2 3.68Å; L173-W181 HydrophobicContact CD1-CZ2 3.46Å; L173-W181 VanDerWaalsContact CD1-CZ2 3.46Å; L173-W181 HydrophobicContact CD1-CZ3 3.89Å; L173-W181 HydrophobicContact CD2-CD2 3.93Å; L173-W181 HydrophobicContact CD2-CE3 3.6Å; L173-W181 HydrophobicContact CD2-CG 4.44Å; L173-W181 HydrophobicContact CD2-CZ3 3.96Å; L173-W181 HydrophobicContact CG-CD2 4.44Å; L173-W181 HydrophobicContact CG-CE3 4.42Å
174	A	98.1	Very high	97.8	Very high	22 Å²	22	25.6 Å²	25.6	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-29.9	177.5	0	0	0	0	0	113	T121 S123 L132 S170 S171 V172	T121-A174 WeakPolarHBondContact CB-O 3.41Å; T121-A174 PolarHBondContact OG1-O 3.43Å; T121-A174 VanDerWaalsContact OG1-O 3.05Å; S123-A174 VanDerWaalsContact CB-O 3.31Å; S123-A174 WeakPolarHBondContact CB-O 3.41Å; S123-A174 WeakPolarHBondContact OG-CA 3.19Å; S123-A174 VanDerWaalsContact OG-CB 3.24Å; S123-A174 WeakPolarHBondContact OG-CB 3.28Å; S123-A174 PolarHBondContact OG-O 2.7Å; L132-A174 HydrophobicContact CD1-CB 4.47Å; L132-A174 HydrophobicContact CD2-CB 4.27Å; S170-A174 VanDerWaalsContact O-CB 3.25Å; S170-A174 WeakPolarHBondContact O-CB 3.28Å; S170-A174 PolarHBondContact O-N 3.13Å; S170-A174 VanDerWaalsContact O-N 3.13Å; S171-A174 PolarHBondContact O-N 3.35Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 2.63Å
175	E	97.8	Very high	97.8	Very high	118 Å²	118	22.4 Å²	22.4	55%	0.551	14%	0.137	S	C	*	.	H	α-helix	trans	-102.4	-14.2	-179	-64	179	-156.5	0	0	113	T121 I163 V172 L173	T121-E175 VanDerWaalsContact CG2-O 3.29Å; T121-E175 WeakPolarHBondContact CG2-O 3.48Å; I163-E175 HydrophobicContact CD1-CB 4.2Å; V172-E175 PolarHBondContact O-N 3.08Å; L173-E175 PolarHBondContact O-N 2.98Å; L173-E175 VanDerWaalsContact O-N 3.14Å
176	F	98.6	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-82	153.2	-179.4	-164	-108.7	0	0	0	112.7	T121 V122 P143 F144 M145 I163 V172 L173 G178 C180 W181 L197 E199	T121-F176 CarbonylContact C-O 3.52Å; T121-F176 WeakPolarHBondContact CA-O 3.4Å; T121-F176 WeakPolarHBondContact CB-O 3.17Å; V122-F176 PolarHBondContact N-O 3.08Å; P143-F176 HydrophobicContact CB-CD1 3.96Å; P143-F176 HydrophobicContact CB-CD2 3.82Å; P143-F176 HydrophobicContact CB-CE1 3.8Å; P143-F176 HydrophobicContact CB-CE2 3.67Å; P143-F176 HydrophobicContact CB-CG 3.96Å; P143-F176 HydrophobicContact CB-CZ 3.66Å; F144-F176 WeakPolarHBondContact O-CE2 3.47Å; M145-F176 HydrophobicContact CB-CD2 4.29Å; M145-F176 HydrophobicContact CB-CE2 4.25Å; I163-F176 HydrophobicContact CD1-CB 4.45Å; I163-F176 HydrophobicContact CD1-CD2 4.3Å; V172-F176 PolarHBondContact O-N 2.97Å; L173-F176 HydrophobicContact CD2-CB 4.38Å; L173-F176 HydrophobicContact CD2-CD1 4.47Å; L173-F176 PolarHBondContact O-N 3.22Å; L173-F176 VanDerWaalsContact O-N 3.16Å; F176-G178 PolarHBondContact O-N 2.82Å; F176-C180 HydrophobicContact CE1-CB 3.91Å; F176-C180 HydrophobicContact CZ-CB 4.39Å; F176-W181 HydrophobicContact CD1-CB 4.22Å; F176-L197 HydrophobicContact CE1-CB 4.16Å; F176-L197 HydrophobicContact CE1-CD1 4.13Å; F176-L197 HydrophobicContact CZ-CB 3.94Å; F176-E199 HydrophobicContact CD2-CB 4.34Å; F176-E199 VanDerWaalsContact CD2-OE2 3.27Å; F176-E199 WeakPolarHBondContact CD2-OE2 3.38Å; F176-E199 HydrophobicContact CE2-CB 3.53Å; F176-E199 WeakPolarHBondContact CE2-OE2 3.4Å; F176-E199 HydrophobicContact CZ-CB 3.88Å
177	S	98.8	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-50.6	121.2	175.1	170.8	0	0	0	0	112.6	M118 C180 W181 E199	M118-S177 WeakPolarHBondContact O-CB 3.28Å; M118-S177 PolarHBondContact O-OG 3.44Å; S177-C180 PolarHBondContact O-N 3.37Å; S177-C180 WeakPolarHBondContact OG-CB 3.32Å; S177-C180 PolarHBondContact OG-N 3.06Å; S177-C180 VanDerWaalsContact OG-N 3.11Å; S177-W181 WeakPolarHBondContact O-CB 3.44Å; S177-W181 PolarHBondContact O-N 2.94Å; S177-E199 VanDerWaalsContact CB-CD 3.43Å; S177-E199 WeakPolarHBondContact CB-OE2 3.44Å; S177-E199 PolarHBondContact N-OE2 3.16Å
178	G	98.7	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-40.3	177.6	0	0	0	0	0	112.4	F120 F176 L182	F120-G178 PolarHBondContact O-N 2.88Å; F176-G178 PolarHBondContact O-N 2.82Å; G178-L182 WeakPolarHBondContact O-CB 3.1Å; G178-L182 WeakPolarHBondContact O-CD1 3.32Å; G178-L182 WeakPolarHBondContact O-CG 3.27Å; G178-L182 PolarHBondContact O-N 2.79Å
179	L	98.9	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-45.2	177.5	179.3	57.6	0	0	0	111.6	M118 L182 F183 Y267 V312 V374 A375 L378	M118-L179 HydrophobicContact CE-CD2 4.02Å; M118-L179 HydrophobicContact SD-CB 4.43Å; M118-L179 HydrophobicContact SD-CD2 4.38Å; L179-L182 PolarHBondContact O-N 3.36Å; L179-F183 WeakPolarHBondContact O-CB 3.25Å; L179-F183 PolarHBondContact O-N 3.44Å; L179-Y267 HydrophobicContact CD2-CD1 3.68Å; L179-Y267 HydrophobicContact CD2-CG 4.46Å; L179-V312 HydrophobicContact CD2-CG2 3.78Å; L179-V374 HydrophobicContact CD1-CB 4.19Å; L179-V374 HydrophobicContact CD1-CG1 3.79Å; L179-V374 HydrophobicContact CD2-CG1 4.14Å; L179-A375 HydrophobicContact CD1-CB 3.79Å; L179-L378 HydrophobicContact CD1-CD1 4.06Å; L179-L378 HydrophobicContact CD2-CD1 4.25Å; L179-L378 HydrophobicContact CG-CD1 4.4Å
180	C	98.8	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-46.6	178.9	-169.1	0	0	0	0	111.2	C112 M118 F176 S177 F183 G184 L197	C112-C180 HydrophobicContact CB-CB 3.58Å; C112-C180 WeakPolarHBondContact CB-SG 3.04Å; C112-C180 WeakPolarHBondContact SG-CB 3.43Å; C112-C180 CovalentContact SG-SG 2.03Å; C112-C180 PolarHBondContact SG-SG 3.47Å; M118-C180 HydrophobicContact SD-CB 4.47Å; F176-C180 HydrophobicContact CE1-CB 3.91Å; F176-C180 HydrophobicContact CZ-CB 4.39Å; S177-C180 PolarHBondContact O-N 3.37Å; S177-C180 WeakPolarHBondContact OG-CB 3.32Å; S177-C180 PolarHBondContact OG-N 3.06Å; S177-C180 VanDerWaalsContact OG-N 3.11Å; C180-F183 PolarHBondContact O-N 2.81Å; C180-G184 PolarHBondContact O-N 3.02Å; C180-L197 WeakPolarHBondContact O-CD1 3.19Å
181	W	98.8	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-53.6	175.5	170.7	-112.2	0	0	0	112.6	V122 E131 Y138 V141 P168 L173 F176 S177 F183 G184 R185 L197	V122-W181 HydrophobicContact CG2-CB 3.96Å; V122-W181 HydrophobicContact CG2-CG 4.1Å; E131-W181 PolarHBondContact OE2-NE1 3.42Å; Y138-W181 HydrophobicContact CD2-CZ2 4.26Å; V141-W181 HydrophobicContact CB-CH2 4.33Å; V141-W181 HydrophobicContact CB-CZ3 3.85Å; V141-W181 HydrophobicContact CG1-CE3 3.98Å; V141-W181 HydrophobicContact CG1-CH2 4.43Å; V141-W181 HydrophobicContact CG1-CZ3 3.59Å; P168-W181 HydrophobicContact CB-CH2 3.7Å; P168-W181 HydrophobicContact CB-CZ3 3.72Å; P168-W181 HydrophobicContact CG-CH2 3.96Å; P168-W181 HydrophobicContact CG-CZ3 4.12Å; L173-W181 HydrophobicContact CD1-CD2 3.64Å; L173-W181 VanDerWaalsContact CD1-CE2 3.42Å; L173-W181 HydrophobicContact CD1-CE3 3.87Å; L173-W181 HydrophobicContact CD1-CG 4.31Å; L173-W181 HydrophobicContact CD1-CH2 3.68Å; L173-W181 HydrophobicContact CD1-CZ2 3.46Å; L173-W181 VanDerWaalsContact CD1-CZ2 3.46Å; L173-W181 HydrophobicContact CD1-CZ3 3.89Å; L173-W181 HydrophobicContact CD2-CD2 3.93Å; L173-W181 HydrophobicContact CD2-CE3 3.6Å; L173-W181 HydrophobicContact CD2-CG 4.44Å; L173-W181 HydrophobicContact CD2-CZ3 3.96Å; L173-W181 HydrophobicContact CG-CD2 4.44Å; L173-W181 HydrophobicContact CG-CE3 4.42Å; F176-W181 HydrophobicContact CD1-CB 4.22Å; S177-W181 WeakPolarHBondContact O-CB 3.44Å; S177-W181 PolarHBondContact O-N 2.94Å; W181-F183 VanDerWaalsContact C-N 3.32Å; W181-F183 PolarHBondContact O-N 3.31Å; W181-G184 PolarHBondContact O-N 2.87Å; W181-R185 WeakPolarHBondContact O-CB 3.38Å; W181-R185 PolarHBondContact O-N 3.35Å; W181-L197 HydrophobicContact CE3-CD1 4.44Å
182	L	98.9	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-42.5	-177.8	-73.7	169.1	0	0	0	111.6	I125 E131 G178 L179 R185 Y186 K371 Q372 A375	I125-L182 HydrophobicContact CD1-CD1 3.78Å; I125-L182 HydrophobicContact CD1-CG 4.36Å; E131-L182 HydrophobicContact CG-CD2 4.18Å; G178-L182 WeakPolarHBondContact O-CB 3.1Å; G178-L182 WeakPolarHBondContact O-CD1 3.32Å; G178-L182 WeakPolarHBondContact O-CG 3.27Å; G178-L182 PolarHBondContact O-N 2.79Å; L179-L182 PolarHBondContact O-N 3.36Å; L182-R185 PolarHBondContact O-N 2.81Å; L182-Y186 HydrophobicContact CB-CE2 4.38Å; L182-Y186 WeakPolarHBondContact O-CB 3.46Å; L182-Y186 WeakPolarHBondContact O-CD2 3.36Å; L182-Y186 PolarHBondContact O-N 3.5Å; L182-K371 HydrophobicContact CD1-CB 3.81Å; L182-Q372 HydrophobicContact CD1-CG 4.19Å; L182-Q372 HydrophobicContact CD2-CG 4.43Å; L182-A375 HydrophobicContact CB-CB 3.46Å; L182-A375 VanDerWaalsContact CB-CB 3.46Å; L182-A375 HydrophobicContact CD1-CB 4.32Å
183	F	98.9	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-51.9	175.2	174.4	-94.8	0	0	0	111.3	W110 L179 C180 W181 R185 Y186 M187 I265 L378 A382	W110-F183 HydrophobicContact CB-CE1 4.26Å; W110-F183 AromaticContact CD2-CE1 3.47Å; W110-F183 HydrophobicContact CD2-CE1 3.47Å; W110-F183 VanDerWaalsContact CD2-CE1 3.47Å; W110-F183 AromaticContact CD2-CZ 3.84Å; W110-F183 HydrophobicContact CD2-CZ 3.84Å; W110-F183 AromaticContact CE2-CE1 3.78Å; W110-F183 AromaticContact CE2-CZ 3.86Å; W110-F183 AromaticContact CE3-CE1 3.81Å; W110-F183 HydrophobicContact CE3-CE1 3.81Å; W110-F183 AromaticContact CE3-CZ 3.9Å; W110-F183 HydrophobicContact CE3-CZ 3.9Å; W110-F183 AromaticContact CG-CE1 3.67Å; W110-F183 HydrophobicContact CG-CE1 3.67Å; W110-F183 HydrophobicContact CG-CZ 4.48Å; W110-F183 HydrophobicContact CH2-CZ 4.02Å; W110-F183 HydrophobicContact CZ2-CE1 4.35Å; W110-F183 AromaticContact CZ2-CZ 3.95Å; W110-F183 HydrophobicContact CZ2-CZ 3.95Å; W110-F183 HydrophobicContact CZ3-CE1 4.38Å; W110-F183 AromaticContact CZ3-CZ 4Å; W110-F183 HydrophobicContact CZ3-CZ 4Å; L179-F183 WeakPolarHBondContact O-CB 3.25Å; L179-F183 PolarHBondContact O-N 3.44Å; C180-F183 PolarHBondContact O-N 2.81Å; W181-F183 VanDerWaalsContact C-N 3.32Å; W181-F183 PolarHBondContact O-N 3.31Å; F183-R185 PolarHBondContact O-N 3.27Å; F183-Y186 PolarHBondContact O-N 3.22Å; F183-M187 HydrophobicContact CD1-CG 4.24Å; F183-M187 HydrophobicContact CD2-CG 4.29Å; F183-M187 HydrophobicContact CE1-CG 3.84Å; F183-M187 HydrophobicContact CE2-CG 3.92Å; F183-M187 HydrophobicContact CE2-SD 4.22Å; F183-M187 HydrophobicContact CG-CG 4.45Å; F183-M187 HydrophobicContact CZ-CG 3.68Å; F183-M187 HydrophobicContact CZ-SD 4.22Å; F183-M187 WeakPolarHBondContact O-CB 3.44Å; F183-M187 VanDerWaalsContact O-CG 3.27Å; F183-M187 WeakPolarHBondContact O-CG 3.28Å; F183-M187 PolarHBondContact O-N 3.09Å; F183-I265 HydrophobicContact CB-CD1 3.94Å; F183-I265 HydrophobicContact CD1-CD1 3.97Å; F183-I265 HydrophobicContact CD1-CG2 4.41Å; F183-I265 HydrophobicContact CD2-CG2 4.36Å; F183-I265 HydrophobicContact CE1-CG2 4.16Å; F183-I265 HydrophobicContact CE2-CG2 4.1Å; F183-I265 HydrophobicContact CG-CD1 3.88Å; F183-I265 HydrophobicContact CZ-CG2 3.99Å; F183-L378 HydrophobicContact CD2-CB 3.93Å; F183-L378 HydrophobicContact CE2-CB 4.27Å; F183-A382 HydrophobicContact CE2-CB 3.8Å; F183-A382 HydrophobicContact CZ-CB 3.94Å
184	G	98.8	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41.1	179.9	0	0	0	0	0	113.4	C180 W181 M187 Y188	C180-G184 PolarHBondContact O-N 3.02Å; W181-G184 PolarHBondContact O-N 2.87Å; G184-M187 PolarHBondContact O-N 3.35Å; G184-Y188 WeakPolarHBondContact O-CB 3.46Å; G184-Y188 PolarHBondContact O-N 2.89Å
185	R	98.5	Very high	98.5	Very high	16 Å²	16	30.3 Å²	30.3	6%	0.06	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-49	176	-175.8	174.6	68.9	72.9	-9.1	111.7	E131 Y138 W181 L182 F183 M187 Y188 E189	E131-R185 VanDerWaalsContact CD-NH2 3.3Å; E131-R185 IonicContact OE1-CZ 2.86Å; E131-R185 IonicContact OE1-NE 2.68Å; E131-R185 IonicContact OE1-NH2 3.7Å; E131-R185 PolarHBondContact OE1-NH2 2.83Å; E131-R185 IonicContact OE2-CZ 3.33Å; E131-R185 IonicContact OE2-NE 3.01Å; E131-R185 PolarHBondContact OE2-NE 3.07Å; E131-R185 IonicContact OE2-NH2 3.57Å; E131-R185 PolarHBondContact OE2-NH2 2.84Å; E131-R185 VanDerWaalsContact OE2-NH2 3.13Å; Y138-R185 HydrophobicContact CD1-CG 3.96Å; Y138-R185 HydrophobicContact CD2-CG 4.05Å; Y138-R185 HydrophobicContact CE1-CG 3.81Å; Y138-R185 VanDerWaalsContact CE2-CD 3.42Å; Y138-R185 HydrophobicContact CE2-CG 3.89Å; Y138-R185 HydrophobicContact CG-CG 4.09Å; W181-R185 WeakPolarHBondContact O-CB 3.38Å; W181-R185 PolarHBondContact O-N 3.35Å; L182-R185 PolarHBondContact O-N 2.81Å; F183-R185 PolarHBondContact O-N 3.27Å; R185-M187 PolarHBondContact O-N 2.97Å; R185-Y188 WeakPolarHBondContact O-CB 3.43Å; R185-Y188 PolarHBondContact O-N 2.94Å; R185-E189 IonicContact CZ-OE1 2.74Å; R185-E189 IonicContact NH1-OE1 2.95Å; R185-E189 PolarHBondContact NH1-OE1 3.35Å; R185-E189 WeakPolarHBondContact O-CG 3.17Å; R185-E189 PolarHBondContact O-N 3.02Å
186	Y	98.8	Very high	98.6	Very high	39 Å²	39	24.7 Å²	24.7	15%	0.153	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-38.7	178.3	-64.9	-21.5	0	0	0	112.5	L182 F183 E189 K190 A375 H376 T379	L182-Y186 HydrophobicContact CB-CE2 4.38Å; L182-Y186 WeakPolarHBondContact O-CB 3.46Å; L182-Y186 WeakPolarHBondContact O-CD2 3.36Å; L182-Y186 PolarHBondContact O-N 3.5Å; F183-Y186 PolarHBondContact O-N 3.22Å; Y186-E189 PolarHBondContact O-N 3.01Å; Y186-K190 WeakPolarHBondContact O-CG 3.41Å; Y186-K190 PolarHBondContact O-N 2.84Å; Y186-A375 HydrophobicContact CD2-CB 4.04Å; Y186-A375 HydrophobicContact CE2-CB 3.8Å; Y186-H376 HydrophobicContact CE2-CB 4.35Å; Y186-T379 WeakPolarHBondContact CB-OG1 3.31Å
187	M	98.8	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-44.4	173.8	-72.4	-55.5	-46.6	0	0	111.1	F183 G184 R185 E189 K190 L191 T379 A382 R383 Y387	F183-M187 HydrophobicContact CD1-CG 4.24Å; F183-M187 HydrophobicContact CD2-CG 4.29Å; F183-M187 HydrophobicContact CE1-CG 3.84Å; F183-M187 HydrophobicContact CE2-CG 3.92Å; F183-M187 HydrophobicContact CE2-SD 4.22Å; F183-M187 HydrophobicContact CG-CG 4.45Å; F183-M187 HydrophobicContact CZ-CG 3.68Å; F183-M187 HydrophobicContact CZ-SD 4.22Å; F183-M187 WeakPolarHBondContact O-CB 3.44Å; F183-M187 VanDerWaalsContact O-CG 3.27Å; F183-M187 WeakPolarHBondContact O-CG 3.28Å; F183-M187 PolarHBondContact O-N 3.09Å; G184-M187 PolarHBondContact O-N 3.35Å; R185-M187 PolarHBondContact O-N 2.97Å; M187-E189 PolarHBondContact O-N 3.45Å; M187-K190 PolarHBondContact O-N 3.15Å; M187-K190 VanDerWaalsContact O-N 3.08Å; M187-L191 HydrophobicContact CB-CD1 4.24Å; M187-L191 HydrophobicContact CE-CD1 3.35Å; M187-L191 HydrophobicContact CE-CD2 4.34Å; M187-L191 HydrophobicContact CE-CG 3.84Å; M187-L191 VanDerWaalsContact O-CB 3.29Å; M187-L191 WeakPolarHBondContact O-CB 3.28Å; M187-L191 VanDerWaalsContact O-CG 3.29Å; M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 2.99Å; M187-T379 HydrophobicContact SD-CG2 3.72Å; M187-A382 HydrophobicContact SD-CB 3.85Å; M187-R383 HydrophobicContact CE-CG 4.34Å; M187-R383 HydrophobicContact SD-CG 4.35Å; M187-Y387 HydrophobicContact CE-CD2 3.68Å; M187-Y387 HydrophobicContact CE-CE2 3.17Å; M187-Y387 HydrophobicContact SD-CE2 4.48Å
188	Y	98.6	Very high	98.6	Very high	35 Å²	35	24.8 Å²	24.8	14%	0.137	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-44.6	175.7	178.1	-95.3	0	0	0	112.5	Y138 H140 V141 G184 R185 K190 L191 N192 Y193	Y138-Y188 AromaticContact CD1-CD1 3.71Å; Y138-Y188 HydrophobicContact CD1-CD1 3.71Å; Y138-Y188 HydrophobicContact CD1-CE1 4.07Å; Y138-Y188 HydrophobicContact CE1-CD1 4.21Å; H140-Y188 HydrophobicContact CB-CD2 4.25Å; H140-Y188 HydrophobicContact CB-CE2 3.53Å; H140-Y188 PolarHBondContact ND1-OH 2.85Å; V141-Y188 HydrophobicContact CG2-CD1 4.3Å; V141-Y188 HydrophobicContact CG2-CD2 4.04Å; V141-Y188 HydrophobicContact CG2-CG 3.68Å; G184-Y188 WeakPolarHBondContact O-CB 3.46Å; G184-Y188 PolarHBondContact O-N 2.89Å; R185-Y188 WeakPolarHBondContact O-CB 3.43Å; R185-Y188 PolarHBondContact O-N 2.94Å; Y188-K190 PolarHBondContact O-N 2.77Å; Y188-L191 PolarHBondContact O-N 3.39Å; Y188-N192 WeakPolarHBondContact O-CA 3.37Å; Y188-N192 PolarHBondContact O-N 3.01Å; Y188-Y193 WeakPolarHBondContact CD2-O 3.25Å
189	E	98.1	Very high	98.6	Very high	88 Å²	88	24.8 Å²	24.8	41%	0.411	12%	0.115	S	C	.	.	H	α-helix	trans	-59.5	-27	176.5	-74.2	173.6	-167.5	0	0	113.2	Y138 R185 Y186 M187	Y138-E189 HydrophobicContact CE1-CG 3.95Å; Y138-E189 PolarHBondContact OH-OE1 3.15Å; R185-E189 IonicContact CZ-OE1 2.74Å; R185-E189 IonicContact NH1-OE1 2.95Å; R185-E189 PolarHBondContact NH1-OE1 3.35Å; R185-E189 WeakPolarHBondContact O-CG 3.17Å; R185-E189 PolarHBondContact O-N 3.02Å; Y186-E189 PolarHBondContact O-N 3.01Å; M187-E189 PolarHBondContact O-N 3.45Å
190	K	97.6	Very high	98.6	Very high	124 Å²	124	24.8 Å²	24.8	54%	0.539	12%	0.115	S	C	.	.	H	α-helix	trans	-92	-38.2	179.7	-63.9	-61.9	176.1	-162.4	0	113.3	Y186 M187 Y188	Y186-K190 WeakPolarHBondContact O-CG 3.41Å; Y186-K190 PolarHBondContact O-N 2.84Å; M187-K190 PolarHBondContact O-N 3.15Å; M187-K190 VanDerWaalsContact O-N 3.08Å; Y188-K190 PolarHBondContact O-N 2.77Å
191	L	97.8	Very high	98.5	Very high	40 Å²	40	24.9 Å²	24.9	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-91.1	-28.9	-173.1	-66.9	173.7	0	0	0	112.8	M187 Y188 Y193 I195 Y387	M187-L191 HydrophobicContact CB-CD1 4.24Å; M187-L191 HydrophobicContact CE-CD1 3.35Å; M187-L191 HydrophobicContact CE-CD2 4.34Å; M187-L191 HydrophobicContact CE-CG 3.84Å; M187-L191 VanDerWaalsContact O-CB 3.29Å; M187-L191 WeakPolarHBondContact O-CB 3.28Å; M187-L191 VanDerWaalsContact O-CG 3.29Å; M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 2.99Å; Y188-L191 PolarHBondContact O-N 3.39Å; L191-Y193 VanDerWaalsContact C-N 3.29Å; L191-Y193 HydrophobicContact CB-CD1 3.91Å; L191-Y193 HydrophobicContact CB-CE1 3.58Å; L191-Y193 HydrophobicContact CB-CE2 4.21Å; L191-Y193 HydrophobicContact CB-CG 4.38Å; L191-Y193 HydrophobicContact CD1-CE1 4.36Å; L191-Y193 HydrophobicContact CD1-CE2 4.03Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.34Å; L191-Y193 HydrophobicContact CD2-CE1 4.06Å; L191-Y193 HydrophobicContact CG-CE1 4.2Å; L191-Y193 VanDerWaalsContact O-CD1 3.23Å; L191-Y193 WeakPolarHBondContact O-CD1 3.49Å; L191-Y193 PolarHBondContact O-N 3.47Å; L191-I195 HydrophobicContact CD1-CD1 3.95Å; L191-Y387 HydrophobicContact CD1-CE1 3.89Å; L191-Y387 HydrophobicContact CD1-CE2 4.14Å; L191-Y387 WeakPolarHBondContact CD1-OH 3.48Å; L191-Y387 HydrophobicContact CD2-CD1 3.94Å; L191-Y387 HydrophobicContact CD2-CE1 3.95Å; L191-Y387 HydrophobicContact CD2-CG 4.31Å
192	N	97.6	Very high	98.5	Very high	129 Å²	129	25.7 Å²	25.7	69%	0.69	12%	0.118	S	C	*	.			trans	57.3	37.4	179.5	-165.6	50.9	0	0	0	114	Y188	Y188-N192 WeakPolarHBondContact O-CA 3.37Å; Y188-N192 PolarHBondContact O-N 3.01Å
193	Y	98.5	Very high	98.3	Very high	43 Å²	43	26.7 Å²	26.7	17%	0.169	13%	0.129	C	C	.	.	S	Bend	trans	-146.3	164.4	171.1	60.9	-111.4	0	0	0	110.7	K35 A84 D108 Y188 L191 I195 Y387	K35-Y193 HydrophobicContact CD-CD2 4.34Å; K35-Y193 HydrophobicContact CD-CE2 4.21Å; K35-Y193 VanDerWaalsContact CE-CE2 3.4Å; A84-Y193 HydrophobicContact CB-CD2 4.36Å; A84-Y193 HydrophobicContact CB-CG 4.02Å; D108-Y193 HydrophobicContact CB-CE2 4.21Å; D108-Y193 WeakPolarHBondContact OD2-CE2 3.24Å; D108-Y193 VanDerWaalsContact OD2-CZ 3.24Å; D108-Y193 PolarHBondContact OD2-OH 3.24Å; Y188-Y193 WeakPolarHBondContact CD2-O 3.25Å; L191-Y193 VanDerWaalsContact C-N 3.29Å; L191-Y193 HydrophobicContact CB-CD1 3.91Å; L191-Y193 HydrophobicContact CB-CE1 3.58Å; L191-Y193 HydrophobicContact CB-CE2 4.21Å; L191-Y193 HydrophobicContact CB-CG 4.38Å; L191-Y193 HydrophobicContact CD1-CE1 4.36Å; L191-Y193 HydrophobicContact CD1-CE2 4.03Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.34Å; L191-Y193 HydrophobicContact CD2-CE1 4.06Å; L191-Y193 HydrophobicContact CG-CE1 4.2Å; L191-Y193 VanDerWaalsContact O-CD1 3.23Å; L191-Y193 WeakPolarHBondContact O-CD1 3.49Å; L191-Y193 PolarHBondContact O-N 3.47Å; Y193-I195 HydrophobicContact CD2-CD1 4.4Å; Y193-I195 HydrophobicContact CE2-CD1 4.07Å; Y193-Y387 VanDerWaalsContact OH-CE1 3.26Å; Y193-Y387 WeakPolarHBondContact OH-CE1 3.36Å
194	P	98.9	Very high	98	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.026	15%	0.151	C	C	.	.			trans	-56	145.5	-172	-26.3	35.5	0	0	0	115.1	L105 F106 G107 D108 H140	L105-P194 HydrophobicContact CB-CB 3.91Å; L105-P194 HydrophobicContact CB-CG 4.03Å; L105-P194 HydrophobicContact CD1-CB 3.96Å; L105-P194 HydrophobicContact CD1-CG 4.07Å; L105-P194 HydrophobicContact CG-CG 4.47Å; F106-P194 WeakPolarHBondContact O-CG 3.48Å; G107-P194 CarbonylContact C-O 3.57Å; G107-P194 WeakPolarHBondContact CA-O 2.97Å; D108-P194 PolarHBondContact N-O 2.85Å; H140-P194 HydrophobicContact CB-CB 4.26Å; H140-P194 HydrophobicContact CB-CG 4.26Å; H140-P194 VanDerWaalsContact O-CA 3.31Å; H140-P194 WeakPolarHBondContact O-CA 3.39Å
195	I	98.9	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.1	176.2	-57.8	-64.4	0	0	0	108.8	D108 H140 V141 R142 L191 Y193 L197	D108-I195 HydrophobicContact CB-CD1 4.24Å; D108-I195 WeakPolarHBondContact O-CA 3.31Å; H140-I195 PolarHBondContact O-N 2.03Å; V141-I195 WeakPolarHBondContact CA-O 3.39Å; R142-I195 PolarHBondContact N-O 2.79Å; L191-I195 HydrophobicContact CD1-CD1 3.95Å; Y193-I195 HydrophobicContact CD2-CD1 4.4Å; Y193-I195 HydrophobicContact CE2-CD1 4.07Å; I195-L197 HydrophobicContact CG2-CD2 3.89Å; I195-L197 HydrophobicContact CG2-CG 4.32Å
196	G	98.9	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.4	172.2	0	0	0	0	0	110.5	D108 I109 W110	D108-G196 PolarHBondContact O-N 3.33Å; I109-G196 WeakPolarHBondContact CA-O 3.46Å; W110-G196 PolarHBondContact N-O 3.02Å
197	L	98.9	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.7	-179.8	-62.7	178.5	0	0	0	109.7	W110 V141 R142 P143 F144 F176 C180 W181 I195	W110-L197 HydrophobicContact CB-CD2 4.29Å; V141-L197 HydrophobicContact CG1-CD1 3.66Å; V141-L197 HydrophobicContact CG1-CG 4.25Å; R142-L197 PolarHBondContact O-N 2.97Å; P143-L197 CarbonylContact C-O 3.59Å; F144-L197 PolarHBondContact N-O 2.9Å; F176-L197 HydrophobicContact CE1-CB 4.16Å; F176-L197 HydrophobicContact CE1-CD1 4.13Å; F176-L197 HydrophobicContact CZ-CB 3.94Å; C180-L197 WeakPolarHBondContact O-CD1 3.19Å; W181-L197 HydrophobicContact CE3-CD1 4.44Å; I195-L197 HydrophobicContact CG2-CD2 3.89Å; I195-L197 HydrophobicContact CG2-CG 4.32Å
198	V	98.9	Very high	97.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.3	179.1	178	0	0	0	0	108.2	I109 W110 L111 C112 F144 W165 F256 M259	I109-V198 HydrophobicContact CG2-CG2 3.9Å; W110-V198 PolarHBondContact O-N 2.77Å; L111-V198 CarbonylContact C-O 3.55Å; L111-V198 HydrophobicContact CD1-CB 4.07Å; L111-V198 HydrophobicContact CD1-CG1 3.66Å; C112-V198 PolarHBondContact N-O 3.1Å; F144-V198 HydrophobicContact CD1-CB 4.45Å; F144-V198 HydrophobicContact CD1-CG1 3.9Å; F144-V198 HydrophobicContact CD1-CG2 4.4Å; F144-V198 HydrophobicContact CE1-CG1 4.24Å; F144-V198 CarbonylContact O-C 3.6Å; F144-V198 WeakPolarHBondContact O-CA 3.36Å; W165-V198 HydrophobicContact CH2-CG2 3.65Å; W165-V198 HydrophobicContact CZ2-CG2 3.76Å; V198-F256 HydrophobicContact CG1-CE1 4.13Å; V198-F256 HydrophobicContact CG1-CE2 4.28Å; V198-F256 HydrophobicContact CG1-CZ 4.01Å; V198-M259 HydrophobicContact CG2-CE 4.29Å; V198-M259 HydrophobicContact CG2-SD 4Å
199	E	98.8	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.5	175.5	179.8	175.4	178.9	0	0	111.2	F144 M145 T146 F176 S177 S201	F144-E199 PolarHBondContact O-N 3.36Å; M145-E199 HydrophobicContact CB-CB 4.23Å; M145-E199 HydrophobicContact CG-CB 4.07Å; M145-E199 HydrophobicContact CG-CG 4.08Å; T146-E199 WeakPolarHBondContact CG2-O 3.35Å; T146-E199 PolarHBondContact N-O 3.08Å; T146-E199 VanDerWaalsContact N-O 3.11Å; F176-E199 HydrophobicContact CD2-CB 4.34Å; F176-E199 VanDerWaalsContact CD2-OE2 3.27Å; F176-E199 WeakPolarHBondContact CD2-OE2 3.38Å; F176-E199 HydrophobicContact CE2-CB 3.53Å; F176-E199 WeakPolarHBondContact CE2-OE2 3.4Å; F176-E199 HydrophobicContact CZ-CB 3.88Å; S177-E199 VanDerWaalsContact CB-CD 3.43Å; S177-E199 WeakPolarHBondContact CB-OE2 3.44Å; S177-E199 PolarHBondContact N-OE2 3.16Å; E199-S201 PolarHBondContact OE1-OG 3.35Å; E199-S201 VanDerWaalsContact OE1-OG 3.07Å
200	S	98.6	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	86.7	173.1	-178.2	0	0	0	0	109.5	C112 G113 W210 M252	C112-S200 PolarHBondContact O-N 3.02Å; G113-S200 VanDerWaalsContact CA-O 3.27Å; G113-S200 WeakPolarHBondContact CA-O 3.4Å; S200-W210 VanDerWaalsContact O-CH2 3.28Å; S200-W210 WeakPolarHBondContact O-CH2 3.27Å; S200-W210 WeakPolarHBondContact O-CZ3 3.13Å; S200-M252 WeakPolarHBondContact OG-CB 3.49Å; S200-M252 PolarHBondContact OG-O 2.92Å
201	S	98.1	Very high	97.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.014	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.9	-171.9	77.7	0	0	0	0	112.5	G114 L119 L148 E199	G114-S201 CarbonylContact O-C 3.52Å; G114-S201 VanDerWaalsContact O-CA 3.26Å; G114-S201 WeakPolarHBondContact O-CA 3.21Å; G114-S201 WeakPolarHBondContact O-CB 3.16Å; L119-S201 WeakPolarHBondContact CA-OG 3.25Å; L119-S201 VanDerWaalsContact CB-OG 3.28Å; L119-S201 WeakPolarHBondContact CB-OG 3.24Å; L119-S201 WeakPolarHBondContact CD1-OG 3.2Å; L119-S201 PolarHBondContact N-OG 3.14Å; L148-S201 VanDerWaalsContact CD2-O 3.28Å; L148-S201 WeakPolarHBondContact CD2-O 3.3Å; E199-S201 PolarHBondContact OE1-OG 3.35Å; E199-S201 VanDerWaalsContact OE1-OG 3.07Å
202	W	97.2	Very high	97.2	Very high	17 Å²	17	12.6 Å²	12.6	6%	0.064	8%	0.079	C	C	.	.			trans	-150.1	120.5	179.7	-164.9	-39.3	0	0	0	111.9	G114 Q115 L148 N149 M150 T205 W210 M242 L248 M252	G114-W202 PolarHBondContact O-N 3.1Å; Q115-W202 VanDerWaalsContact CA-O 3.24Å; Q115-W202 WeakPolarHBondContact CA-O 3.43Å; Q115-W202 WeakPolarHBondContact CB-O 3.23Å; L148-W202 HydrophobicContact CB-CD2 4.19Å; L148-W202 HydrophobicContact CB-CE3 3.76Å; L148-W202 HydrophobicContact CB-CH2 3.82Å; L148-W202 HydrophobicContact CB-CZ2 4.22Å; L148-W202 HydrophobicContact CB-CZ3 3.6Å; L148-W202 HydrophobicContact CD1-CD2 4.23Å; L148-W202 HydrophobicContact CD1-CZ2 4.4Å; L148-W202 HydrophobicContact CD2-CB 4.12Å; L148-W202 HydrophobicContact CD2-CD2 3.8Å; L148-W202 HydrophobicContact CD2-CE3 3.8Å; L148-W202 HydrophobicContact CD2-CG 3.98Å; L148-W202 HydrophobicContact CG-CD2 4.29Å; L148-W202 HydrophobicContact CG-CE3 4.25Å; N149-W202 VanDerWaalsContact N-CZ3 3.32Å; M150-W202 HydrophobicContact CE-CH2 4.3Å; M150-W202 HydrophobicContact CG-CH2 4.07Å; M150-W202 HydrophobicContact CG-CZ3 3.86Å; W202-T205 HydrophobicContact CB-CG2 4.06Å; W202-T205 HydrophobicContact CG-CG2 4.07Å; W202-T205 WeakPolarHBondContact O-CG2 3.31Å; W202-T205 PolarHBondContact O-OG1 3.37Å; W202-W210 HydrophobicContact CB-CH2 4.4Å; W202-W210 HydrophobicContact CB-CZ2 3.96Å; W202-M242 HydrophobicContact CZ2-SD 4.45Å; W202-M242 PolarHBondContact NE1-SD 3.3Å; W202-M242 VanDerWaalsContact NE1-SD 3.38Å; W202-L248 HydrophobicContact CB-CD1 4.12Å; W202-L248 HydrophobicContact CD2-CD2 4.23Å; W202-L248 HydrophobicContact CE3-CD2 3.43Å; W202-L248 VanDerWaalsContact CE3-CD2 3.43Å; W202-L248 HydrophobicContact CZ3-CD2 3.78Å; W202-M252 HydrophobicContact CE3-CE 4.49Å; W202-M252 HydrophobicContact CE3-SD 3.64Å; W202-M252 HydrophobicContact CZ3-SD 4.21Å
203	G	95	Very high	97	Very high	21 Å²	21	8.8 Å²	8.8	22%	0.216	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143	179.9	0	0	0	0	0	116.3	T205	G203-T205 VanDerWaalsContact C-N 3.32Å; G203-T205 PolarHBondContact O-N 3.34Å
204	G	92.3	Very high	96.9	Very high	46 Å²	46	10.6 Å²	10.6	47%	0.474	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	13	172.7	0	0	0	0	0	115.7
205	T	95	Very high	96.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.			trans	-99.7	136	-171.7	56.7	0	0	0	0	112.2	Q115 W202 G203 W210 M242 L248 Q268	Q115-T205 PolarHBondContact OE1-O 2.72Å; W202-T205 HydrophobicContact CB-CG2 4.06Å; W202-T205 HydrophobicContact CG-CG2 4.07Å; W202-T205 WeakPolarHBondContact O-CG2 3.31Å; W202-T205 PolarHBondContact O-OG1 3.37Å; G203-T205 VanDerWaalsContact C-N 3.32Å; G203-T205 PolarHBondContact O-N 3.34Å; T205-W210 PolarHBondContact OG1-NE1 3.41Å; T205-M242 HydrophobicContact CG2-CB 4.37Å; T205-M242 HydrophobicContact CG2-SD 4.41Å; T205-L248 HydrophobicContact CG2-CD1 3.48Å; T205-L248 VanDerWaalsContact CG2-CD1 3.48Å; T205-Q268 PolarHBondContact O-NE2 3.25Å
206	P	96.1	Very high	96.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.			trans	-80.8	161.6	174.8	36.8	-37.3	0	0	0	110.9	E208 A209 L243 A271 N272 Y275	P206-E208 WeakPolarHBondContact CB-OE2 3.47Å; P206-E208 PolarHBondContact O-N 3.02Å; P206-A209 PolarHBondContact O-N 3.19Å; P206-L243 HydrophobicContact CG-CD2 4.2Å; P206-A271 HydrophobicContact CB-CB 4.28Å; P206-N272 WeakPolarHBondContact CA-OD1 3.37Å; P206-Y275 HydrophobicContact CB-CD1 3.73Å; P206-Y275 HydrophobicContact CB-CE1 4.27Å; P206-Y275 HydrophobicContact CG-CD1 4.02Å; P206-Y275 HydrophobicContact CG-CE1 4.14Å
207	V	97.6	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.6	-179.3	69.6	0	0	0	0	112.6	A209 W210 S211 N272 Y280 S283 F284 M287	V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.12Å; V207-W210 PolarHBondContact O-N 3.25Å; V207-S211 PolarHBondContact O-N 3.08Å; V207-S211 PolarHBondContact O-OG 3.32Å; V207-N272 PolarHBondContact N-OD1 3.48Å; V207-Y280 HydrophobicContact CB-CD2 4.41Å; V207-Y280 HydrophobicContact CB-CE2 3.82Å; V207-Y280 HydrophobicContact CG1-CD2 3.81Å; V207-Y280 HydrophobicContact CG1-CE2 3.73Å; V207-Y280 HydrophobicContact CG2-CE2 4.46Å; V207-S283 VanDerWaalsContact CG1-OG 3.27Å; V207-S283 WeakPolarHBondContact CG1-OG 3.27Å; V207-F284 HydrophobicContact CG2-CB 4.37Å; V207-F284 HydrophobicContact CG2-CD2 4.25Å; V207-M287 HydrophobicContact CG2-CB 4.37Å; V207-M287 HydrophobicContact CG2-CE 4.12Å; V207-M287 HydrophobicContact CG2-SD 3.48Å; V207-M287 WeakPolarHBondContact CG2-SD 3.05Å
208	E	95.8	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-62.2	-36.6	176.4	-69	90.9	148.3	0	0	113.6	P206 W210 S211 L216 L221 T246 N272 Y275 H276	P206-E208 WeakPolarHBondContact CB-OE2 3.47Å; P206-E208 PolarHBondContact O-N 3.02Å; E208-W210 PolarHBondContact O-N 3.21Å; E208-S211 PolarHBondContact O-N 2.93Å; E208-L216 HydrophobicContact CB-CD1 4.25Å; E208-L216 HydrophobicContact CB-CD2 4.21Å; E208-L216 HydrophobicContact CG-CD2 3.84Å; E208-L221 HydrophobicContact CG-CD1 3.9Å; E208-T246 PolarHBondContact O-N 2.93Å; E208-N272 PolarHBondContact OE2-ND2 3.13Å; E208-Y275 HydrophobicContact CG-CE1 4.39Å; E208-H276 VanDerWaalsContact OE1-CB 3.32Å; E208-H276 WeakPolarHBondContact OE1-CB 3.49Å; E208-H276 IonicContact OE1-CG 2.63Å; E208-H276 IonicContact OE1-ND1 2.77Å; E208-H276 PolarHBondContact OE1-ND1 2.86Å
209	A	95.4	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-64.3	-28.9	177.7	0	0	0	0	0	111.6	P206 V207 T246 V247 L248 W249	P206-A209 PolarHBondContact O-N 3.19Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.12Å; A209-T246 CarbonylContact O-C 3.5Å; A209-T246 VanDerWaalsContact O-C 3.26Å; A209-V247 PolarHBondContact O-N 3.45Å; A209-L248 HydrophobicContact CB-CB 4.35Å; A209-L248 HydrophobicContact CB-CD1 3.78Å; A209-L248 HydrophobicContact CB-CG 3.96Å; A209-L248 CarbonylContact O-C 3.58Å; A209-L248 WeakPolarHBondContact O-CA 3.32Å; A209-L248 WeakPolarHBondContact O-CB 3.38Å; A209-L248 PolarHBondContact O-N 3.03Å; A209-W249 PolarHBondContact O-N 3.37Å
210	W	97.7	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-96.5	-0.8	-176.7	-60.5	99.9	0	0	0	114.4	G114 S200 W202 T205 V207 E208 L248 M252 I253 W266 M287 W291	G114-W210 WeakPolarHBondContact O-CZ2 3.3Å; S200-W210 VanDerWaalsContact O-CH2 3.28Å; S200-W210 WeakPolarHBondContact O-CH2 3.27Å; S200-W210 WeakPolarHBondContact O-CZ3 3.13Å; W202-W210 HydrophobicContact CB-CH2 4.4Å; W202-W210 HydrophobicContact CB-CZ2 3.96Å; T205-W210 PolarHBondContact OG1-NE1 3.41Å; V207-W210 PolarHBondContact O-N 3.25Å; E208-W210 PolarHBondContact O-N 3.21Å; W210-L248 HydrophobicContact CD2-CB 4.01Å; W210-L248 HydrophobicContact CD2-CD1 4.2Å; W210-L248 HydrophobicContact CE3-CB 4Å; W210-L248 HydrophobicContact CH2-CB 4.39Å; W210-L248 HydrophobicContact CH2-CD1 4.24Å; W210-L248 HydrophobicContact CZ2-CB 4.42Å; W210-L248 HydrophobicContact CZ2-CD1 3.62Å; W210-L248 HydrophobicContact CZ3-CB 4.19Å; W210-M252 HydrophobicContact CH2-CE 4.22Å; W210-M252 HydrophobicContact CH2-SD 4.38Å; W210-M252 HydrophobicContact CZ3-CB 4.28Å; W210-I253 HydrophobicContact CE3-CD1 3.97Å; W210-I253 HydrophobicContact CE3-CG1 3.8Å; W210-I253 HydrophobicContact CZ3-CD1 3.93Å; W210-I253 HydrophobicContact CZ3-CG1 4.08Å; W210-W266 HydrophobicContact CB-CH2 3.73Å; W210-W266 HydrophobicContact CB-CZ2 4.38Å; W210-W266 AromaticContact CD1-CH2 3.66Å; W210-W266 AromaticContact CD2-CH2 3.63Å; W210-W266 HydrophobicContact CD2-CH2 3.63Å; W210-W266 HydrophobicContact CD2-CZ3 4.21Å; W210-W266 HydrophobicContact CE3-CH2 4.2Å; W210-W266 HydrophobicContact CE3-CZ3 4.33Å; W210-W266 AromaticContact CG-CH2 3.41Å; W210-W266 HydrophobicContact CG-CH2 3.41Å; W210-W266 VanDerWaalsContact CG-CH2 3.41Å; W210-W266 HydrophobicContact CG-CZ2 4.18Å; W210-W266 HydrophobicContact CG-CZ3 4.33Å; W210-M287 HydrophobicContact CB-SD 3.82Å; W210-W291 HydrophobicContact CB-CZ2 4.36Å; W210-W291 PolarHBondContact O-NE1 2.99Å
211	S	97.6	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-103.4	141.3	-178.9	-63.4	0	0	0	0	110.2	V207 E208 L216 T246 M287	V207-S211 PolarHBondContact O-N 3.08Å; V207-S211 PolarHBondContact O-OG 3.32Å; E208-S211 PolarHBondContact O-N 2.93Å; S211-L216 VanDerWaalsContact CB-CD2 3.46Å; S211-T246 VanDerWaalsContact O-CA 3.25Å; S211-T246 WeakPolarHBondContact O-CA 3.38Å; S211-T246 WeakPolarHBondContact O-CB 3.35Å; S211-T246 VanDerWaalsContact O-CG2 3.29Å; S211-T246 WeakPolarHBondContact O-CG2 3.4Å; S211-M287 WeakPolarHBondContact OG-CG 3.3Å
212	S	96.4	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.			trans	-69.1	161	170.7	67.2	0	0	0	0	111.6	R214 A215 L216 D290	S212-R214 VanDerWaalsContact CB-CZ 3.47Å; S212-R214 PolarHBondContact O-N 2.88Å; S212-R214 WeakPolarHBondContact OG-CG 3.47Å; S212-R214 PolarHBondContact OG-NE 3.2Å; S212-A215 PolarHBondContact O-N 3Å; S212-A215 VanDerWaalsContact O-N 3.1Å; S212-A215 PolarHBondContact OG-N 2.89Å; S212-L216 WeakPolarHBondContact O-CG 3.34Å; S212-L216 PolarHBondContact O-N 2.86Å; S212-L216 VanDerWaalsContact O-N 3.08Å; S212-D290 WeakPolarHBondContact CB-OD2 3.43Å; S212-D290 PolarHBondContact OG-OD1 3.17Å; S212-D290 PolarHBondContact OG-OD2 3.35Å
213	T	93.3	Very high	92.4	Very high	49 Å²	49	31.9 Å²	31.9	30%	0.301	19%	0.191	S	C	.	.	H	α-helix	trans	-57.4	-35.6	174.5	-50.7	0	0	0	0	112.2	L216 K217 P223	T213-L216 PolarHBondContact O-N 2.88Å; T213-K217 HydrophobicContact CG2-CD 4.06Å; T213-K217 HydrophobicContact CG2-CG 4.35Å; T213-K217 WeakPolarHBondContact O-CB 3.44Å; T213-K217 VanDerWaalsContact O-CG 3.3Å; T213-K217 WeakPolarHBondContact O-CG 3.24Å; T213-K217 PolarHBondContact O-N 2.92Å; T213-P223 HydrophobicContact CG2-CG 4.1Å
214	R	94.6	Very high	90.5	Very high	81 Å²	81	33.9 Å²	33.9	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-67.4	-34.2	178.8	57.3	-177.7	-172.9	-84.6	-16.1	112.3	E154 S212 Q218 W249 D290 M293	E154-R214 IonicContact OE1-NH1 3.96Å; E154-R214 PolarHBondContact OE1-NH1 3.18Å; E154-R214 VanDerWaalsContact OE1-NH1 3.14Å; S212-R214 VanDerWaalsContact CB-CZ 3.47Å; S212-R214 PolarHBondContact O-N 2.88Å; S212-R214 WeakPolarHBondContact OG-CG 3.47Å; S212-R214 PolarHBondContact OG-NE 3.2Å; R214-Q218 PolarHBondContact O-NE2 2.86Å; R214-Q218 VanDerWaalsContact O-NE2 3.16Å; R214-W249 VanDerWaalsContact NH2-CH2 3.27Å; R214-D290 VanDerWaalsContact CD-OD1 3.28Å; R214-D290 WeakPolarHBondContact CD-OD1 3.41Å; R214-D290 WeakPolarHBondContact CG-OD1 3.41Å; R214-D290 IonicContact CZ-OD1 3.63Å; R214-D290 IonicContact CZ-OD2 2.66Å; R214-D290 VanDerWaalsContact CZ-OD2 3.29Å; R214-D290 VanDerWaalsContact NE-CG 3.34Å; R214-D290 IonicContact NE-OD1 2.8Å; R214-D290 PolarHBondContact NE-OD1 3.36Å; R214-D290 IonicContact NE-OD2 3.62Å; R214-D290 PolarHBondContact NE-OD2 2.82Å; R214-D290 IonicContact NH2-OD1 2.71Å; R214-D290 PolarHBondContact NH2-OD1 2.93Å; R214-D290 IonicContact NH2-OD2 3.87Å; R214-D290 PolarHBondContact NH2-OD2 3.04Å; R214-M293 VanDerWaalsContact NE-CE 3.26Å
215	A	96.3	Very high	88.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-70.4	-49.1	173.4	0	0	0	0	0	111	S212 K217 Q218 T286 D290	S212-A215 PolarHBondContact O-N 3Å; S212-A215 VanDerWaalsContact O-N 3.1Å; S212-A215 PolarHBondContact OG-N 2.89Å; A215-K217 PolarHBondContact O-N 3.47Å; A215-Q218 WeakPolarHBondContact O-CB 3.25Å; A215-Q218 PolarHBondContact O-N 3.04Å; A215-Q218 VanDerWaalsContact O-N 3.15Å; A215-T286 HydrophobicContact CB-CG2 3.93Å; A215-T286 WeakPolarHBondContact O-CG2 3.23Å; A215-D290 HydrophobicContact CB-CB 3.81Å
216	L	94.4	Very high	86.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-38.4	-174.7	-64.9	-179.6	0	0	0	113.5	E208 S211 S212 T213 Q218 C219 G220 L221 T246	E208-L216 HydrophobicContact CB-CD1 4.25Å; E208-L216 HydrophobicContact CB-CD2 4.21Å; E208-L216 HydrophobicContact CG-CD2 3.84Å; S211-L216 VanDerWaalsContact CB-CD2 3.46Å; S212-L216 WeakPolarHBondContact O-CG 3.34Å; S212-L216 PolarHBondContact O-N 2.86Å; S212-L216 VanDerWaalsContact O-N 3.08Å; T213-L216 PolarHBondContact O-N 2.88Å; L216-Q218 PolarHBondContact O-N 2.85Å; L216-C219 PolarHBondContact O-N 3.19Å; L216-G220 PolarHBondContact O-N 3.04Å; L216-L221 CarbonylContact C-O 3.58Å; L216-L221 VanDerWaalsContact C-O 3.24Å; L216-L221 HydrophobicContact CB-CB 3.97Å; L216-L221 WeakPolarHBondContact CB-O 3.45Å; L216-L221 HydrophobicContact CD2-CB 4.21Å; L216-L221 HydrophobicContact CD2-CD1 3.99Å; L216-L221 PolarHBondContact O-N 3.09Å; L216-T246 HydrophobicContact CD1-CG2 3.86Å
217	K	93.7	Very high	83.7	Confident	129 Å²	129	48 Å²	48	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-56.2	-32.9	174.9	-79.7	177	175.6	176.9	0	113.3	T213 A215 C219 G220	T213-K217 HydrophobicContact CG2-CD 4.06Å; T213-K217 HydrophobicContact CG2-CG 4.35Å; T213-K217 WeakPolarHBondContact O-CB 3.44Å; T213-K217 VanDerWaalsContact O-CG 3.3Å; T213-K217 WeakPolarHBondContact O-CG 3.24Å; T213-K217 PolarHBondContact O-N 2.92Å; A215-K217 PolarHBondContact O-N 3.47Å; K217-C219 PolarHBondContact O-N 2.82Å; K217-G220 PolarHBondContact O-N 3.15Å
218	Q	95.4	Very high	81.3	Confident	136 Å²	136	55.4 Å²	55.4	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-67.8	-22.2	178.9	-65.4	174.7	50.4	0	0	112.8	R214 A215 L216 T286	R214-Q218 PolarHBondContact O-NE2 2.86Å; R214-Q218 VanDerWaalsContact O-NE2 3.16Å; A215-Q218 WeakPolarHBondContact O-CB 3.25Å; A215-Q218 PolarHBondContact O-N 3.04Å; A215-Q218 VanDerWaalsContact O-N 3.15Å; L216-Q218 PolarHBondContact O-N 2.85Å; Q218-T286 HydrophobicContact CB-CG2 4.09Å; Q218-T286 HydrophobicContact CG-CG2 4.46Å
219	C	95.3	Very high	78.6	Confident	12 Å²	12	63.3 Å²	63.3	8%	0.081	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	10.7	-179.9	-61.1	0	0	0	0	113.2	L216 K217 L221 C282 S283	L216-C219 PolarHBondContact O-N 3.19Å; K217-C219 PolarHBondContact O-N 2.82Å; C219-L221 HydrophobicContact CB-CD1 4.3Å; C219-L221 HydrophobicContact CB-CG 4.4Å; C219-L221 PolarHBondContact O-N 2.94Å; C219-C282 WeakPolarHBondContact CA-SG 3.27Å; C219-C282 HydrophobicContact CB-CB 3.76Å; C219-C282 WeakPolarHBondContact CB-SG 3.28Å; C219-C282 WeakPolarHBondContact SG-CB 3.49Å; C219-C282 PolarHBondContact SG-O 3.5Å; C219-C282 VanDerWaalsContact SG-O 3.38Å; C219-C282 CovalentContact SG-SG 2.04Å; C219-C282 PolarHBondContact SG-SG 2.89Å; C219-S283 PolarHBondContact SG-N 2.82Å; C219-S283 VanDerWaalsContact SG-N 3.38Å
220	G	92.4	Very high	76	Confident	60 Å²	60	70.1 Å²	70.1	62%	0.619	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	14.8	-176	0	0	0	0	0	113.8	L216 K217 V222	L216-G220 PolarHBondContact O-N 3.04Å; K217-G220 PolarHBondContact O-N 3.15Å; G220-V222 PolarHBondContact O-N 2.81Å
221	L	89.5	Confident	73.2	Confident	12 Å²	12	78.7 Å²	78.7	6%	0.063	40%	0.402	C	S	.	.			trans	-91.9	80.8	174.4	-65.7	171.8	0	0	0	107.3	E208 L216 C219 H276 K279	E208-L221 HydrophobicContact CG-CD1 3.9Å; L216-L221 CarbonylContact C-O 3.58Å; L216-L221 VanDerWaalsContact C-O 3.24Å; L216-L221 HydrophobicContact CB-CB 3.97Å; L216-L221 WeakPolarHBondContact CB-O 3.45Å; L216-L221 HydrophobicContact CD2-CB 4.21Å; L216-L221 HydrophobicContact CD2-CD1 3.99Å; L216-L221 PolarHBondContact O-N 3.09Å; C219-L221 HydrophobicContact CB-CD1 4.3Å; C219-L221 HydrophobicContact CB-CG 4.4Å; C219-L221 PolarHBondContact O-N 2.94Å; L221-H276 HydrophobicContact CD2-CB 4.33Å; L221-H276 WeakPolarHBondContact CD2-ND1 3.3Å; L221-K279 HydrophobicContact CD1-CB 4.03Å; L221-K279 HydrophobicContact CD2-CB 4.3Å; L221-K279 HydrophobicContact CD2-CG 3.97Å; L221-K279 HydrophobicContact CG-CB 4.36Å; L221-K279 HydrophobicContact CG-CG 4.38Å
222	V	73.8	Confident	70.6	Confident	100 Å²	100	86.4 Å²	86.4	61%	0.606	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-84.7	124.7	178	-170.2	0	0	0	0	107.7	G220 S224	G220-V222 PolarHBondContact O-N 2.81Å; V222-S224 PolarHBondContact O-N 2.94Å
223	P	63.2	Low	67.8	Low	22 Å²	22	93.1 Å²	93.1	14%	0.143	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-57.5	124.1	168.7	-19	31.2	0	0	0	108.1	T213 T246	T213-P223 HydrophobicContact CG2-CG 4.1Å; P223-T246 HydrophobicContact CG-CG2 4.38Å
224	S	55.3	Low	65.5	Low	63 Å²	63	97.4 Å²	97.4	44%	0.441	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-60.2	139.5	-179	48.7	0	0	0	0	110.6	V222 D226 M227	V222-S224 PolarHBondContact O-N 2.94Å; S224-D226 PolarHBondContact O-N 2.87Å; S224-M227 WeakPolarHBondContact O-CB 3.48Å; S224-M227 WeakPolarHBondContact O-CG 3.15Å; S224-M227 PolarHBondContact O-N 3.01Å; S224-M227 VanDerWaalsContact OG-CG 3.31Å; S224-M227 WeakPolarHBondContact OG-CG 3.49Å
225	E	47.8	Very low	63.1	Low	171 Å²	171	96.3 Å²	96.3	80%	0.799	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.1	177	-69.6	-175	165.9	0	0	111.9	M227 Y228	E225-M227 PolarHBondContact O-N 3.16Å; E225-M227 VanDerWaalsContact O-N 3.08Å; E225-Y228 WeakPolarHBondContact O-CD2 3.46Å; E225-Y228 PolarHBondContact O-N 2.8Å
226	D	45.7	Very low	60.5	Low	125 Å²	125	103 Å²	103	67%	0.668	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-63.8	-10.3	173.8	-56.1	-31.4	0	0	0	113.7	S224 Y228 E229	S224-D226 PolarHBondContact O-N 2.87Å; D226-Y228 PolarHBondContact O-N 3.27Å; D226-E229 PolarHBondContact O-N 2.55Å
227	M	47.6	Very low	58.3	Low	48 Å²	48	109.8 Å²	109.8	24%	0.236	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-67.1	-12.4	173.8	-71.3	-99.7	-63.1	0	0	113.8	S224 E225 N244	S224-M227 WeakPolarHBondContact O-CB 3.48Å; S224-M227 WeakPolarHBondContact O-CG 3.15Å; S224-M227 PolarHBondContact O-N 3.01Å; S224-M227 VanDerWaalsContact OG-CG 3.31Å; S224-M227 WeakPolarHBondContact OG-CG 3.49Å; E225-M227 PolarHBondContact O-N 3.16Å; E225-M227 VanDerWaalsContact O-N 3.08Å; M227-N244 HydrophobicContact CE-CB 3.52Å; M227-N244 HydrophobicContact SD-CB 4.03Å; M227-N244 PolarHBondContact SD-OD1 2.83Å
228	Y	45.6	Very low	56	Low	155 Å²	155	106.7 Å²	106.7	61%	0.608	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-96.9	-6.6	-179.9	-64.5	-72.8	0	0	0	113.9	E225 D226	E225-Y228 WeakPolarHBondContact O-CD2 3.46Å; E225-Y228 PolarHBondContact O-N 2.8Å; D226-Y228 PolarHBondContact O-N 3.27Å
229	E	39.4	Very low	53.6	Low	166 Å²	166	108.1 Å²	108.1	78%	0.776	56%	0.56	S	S	*	*			trans	-99.8	3.8	-173	-68.6	-160.8	162.2	0	0	116	D226	D226-E229 PolarHBondContact O-N 2.55Å
230	L	40.5	Very low	51.2	Low	143 Å²	143	113.5 Å²	113.5	75%	0.749	59%	0.588	S	S	*	*	S	Bend	trans	-90.4	117.1	167.9	-67.6	170.3	0	0	0	109.6	K152	K152-L230 PolarHBondContact NZ-O 3.48Å
231	E	39	Very low	49.3	Very low	179 Å²	179	111 Å²	111	84%	0.836	56%	0.561	S	S	*	*			trans	-40.6	150.3	-171.6	-73.1	174.5	149.1	0	0	115.2	D233	E231-D233 PolarHBondContact O-N 2.97Å
232	D	43	Very low	47.6	Very low	162 Å²	162	112 Å²	112	87%	0.866	57%	0.565	S	S	*	*	S	Bend	trans	-60	1.7	-176.3	-78.2	-37.2	0	0	0	116.2	I234	D232-I234 PolarHBondContact O-N 3.49Å
233	D	38.2	Very low	46.9	Very low	141 Å²	141	110.1 Å²	110.1	75%	0.754	55%	0.552	S	S	*	*	S	Bend	trans	-95	94.3	-179.5	-81.2	-23	0	0	0	111	E231	E231-D233 PolarHBondContact O-N 2.97Å
234	I	44.3	Very low	46.9	Very low	139 Å²	139	111.2 Å²	111.2	71%	0.713	56%	0.556	S	S	*	*			trans	60.1	107.7	163.4	-51.2	169.7	0	0	0	112	D232 Q236	D232-I234 PolarHBondContact O-N 3.49Å; I234-Q236 HydrophobicContact CG2-CG 4.42Å; I234-Q236 PolarHBondContact O-N 3.44Å
235	I	45.5	Very low	48.2	Very low	59 Å²	59	108.9 Å²	108.9	30%	0.303	54%	0.54	S	S	.	.			trans	-60.1	92.9	157.9	-58.1	175.6	0	0	0	106.2	M150 K152 Q237 S241	M150-I235 HydrophobicContact CE-CB 4.44Å; M150-I235 HydrophobicContact CE-CG2 3.55Å; K152-I235 HydrophobicContact CG-CD1 4.31Å; I235-Q237 PolarHBondContact O-N 2.88Å; I235-S241 VanDerWaalsContact CG2-CB 3.49Å
236	Q	41.2	Very low	50.3	Low	140 Å²	140	101.3 Å²	101.3	65%	0.654	51%	0.505	S	S	*	.			trans	-57.9	126.2	170.3	-75	-176.7	-2.5	0	0	105.7	I234 T238 S241	I234-Q236 HydrophobicContact CG2-CG 4.42Å; I234-Q236 PolarHBondContact O-N 3.44Å; Q236-T238 HydrophobicContact CB-CG2 3.99Å; Q236-T238 PolarHBondContact O-N 2.83Å; Q236-T238 PolarHBondContact O-OG1 2.75Å; Q236-S241 PolarHBondContact O-OG 3.42Å
237	Q	47.7	Very low	52.5	Low	143 Å²	143	95.5 Å²	95.5	67%	0.668	47%	0.474	S	S	*	.			trans	-60.5	70.8	174.5	-67.7	178.4	4.7	0	0	110.1	I235	I235-Q237 PolarHBondContact O-N 2.88Å
238	T	44.9	Very low	54.8	Low	65 Å²	65	93.2 Å²	93.2	40%	0.399	46%	0.463	S	S	.	.			trans	-102.7	147.7	175.3	56	0	0	0	0	107.3	Q236 N240 S241	Q236-T238 HydrophobicContact CB-CG2 3.99Å; Q236-T238 PolarHBondContact O-N 2.83Å; Q236-T238 PolarHBondContact O-OG1 2.75Å; T238-N240 PolarHBondContact O-N 3.29Å; T238-N240 VanDerWaalsContact O-N 3.07Å; T238-S241 PolarHBondContact N-OG 3.43Å; T238-S241 WeakPolarHBondContact O-CB 3.21Å; T238-S241 PolarHBondContact O-N 2.98Å; T238-S241 PolarHBondContact O-OG 2.86Å
239	E	45.8	Very low	57.3	Low	166 Å²	166	85.9 Å²	85.9	78%	0.776	43%	0.434	S	S	*	.	H	α-helix	trans	-51.4	-33.8	178.6	-69.6	176.1	161.2	0	0	112.3	S241 M242	E239-S241 PolarHBondContact O-N 3.42Å; E239-M242 PolarHBondContact O-N 3.49Å
240	N	45.6	Very low	60.1	Low	125 Å²	125	78.3 Å²	78.3	67%	0.668	40%	0.399	S	S	*	.	H	α-helix	trans	-66.4	-31.5	176.1	-76	-13.6	0	0	0	113.9	T238 M242 L243 N244	T238-N240 PolarHBondContact O-N 3.29Å; T238-N240 VanDerWaalsContact O-N 3.07Å; N240-M242 VanDerWaalsContact C-N 3.31Å; N240-L243 PolarHBondContact O-N 3.44Å; N240-N244 PolarHBondContact O-OD1 3.11Å
241	S	52.4	Low	62.8	Low	7 Å²	7	71.6 Å²	71.6	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-72.6	-23.9	177	69.4	0	0	0	0	113.3	I235 Q236 T238 E239 L243 N244	I235-S241 VanDerWaalsContact CG2-CB 3.49Å; Q236-S241 PolarHBondContact O-OG 3.42Å; T238-S241 PolarHBondContact N-OG 3.43Å; T238-S241 WeakPolarHBondContact O-CB 3.21Å; T238-S241 PolarHBondContact O-N 2.98Å; T238-S241 PolarHBondContact O-OG 2.86Å; E239-S241 PolarHBondContact O-N 3.42Å; S241-L243 VanDerWaalsContact C-N 3.35Å; S241-N244 WeakPolarHBondContact O-CB 3.37Å; S241-N244 PolarHBondContact O-N 3.47Å; S241-N244 PolarHBondContact O-ND2 2.91Å
242	M	53.7	Low	65.6	Low	32 Å²	32	63 Å²	63	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-81.7	-16.2	177.9	-67	-172.9	-113.2	0	0	112.9	M150 W202 T205 E239 N240	M150-M242 HydrophobicContact SD-CG 4.48Å; W202-M242 HydrophobicContact CZ2-SD 4.45Å; W202-M242 PolarHBondContact NE1-SD 3.3Å; W202-M242 VanDerWaalsContact NE1-SD 3.38Å; T205-M242 HydrophobicContact CG2-CB 4.37Å; T205-M242 HydrophobicContact CG2-SD 4.41Å; E239-M242 PolarHBondContact O-N 3.49Å; N240-M242 VanDerWaalsContact C-N 3.31Å
243	L	57.5	Low	68.3	Low	62 Å²	62	55.3 Å²	55.3	33%	0.325	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.7	168.3	-62.4	174.4	0	0	0	112.1	P206 N240 S241 S245 Y275	P206-L243 HydrophobicContact CG-CD2 4.2Å; N240-L243 PolarHBondContact O-N 3.44Å; S241-L243 VanDerWaalsContact C-N 3.35Å; L243-S245 PolarHBondContact O-N 2.86Å; L243-Y275 HydrophobicContact CD2-CD2 4.04Å; L243-Y275 HydrophobicContact CD2-CE2 4.16Å; L243-Y275 HydrophobicContact CD2-CG 4.26Å
244	N	65.3	Low	71.2	Confident	45 Å²	45	50.5 Å²	50.5	24%	0.241	26%	0.256	C	S	.	.	S	Bend	trans	-66.3	118.3	176.4	-68.5	-14.3	0	0	0	109.3	M227 N240 S241 V247	M227-N244 HydrophobicContact CE-CB 3.52Å; M227-N244 HydrophobicContact SD-CB 4.03Å; M227-N244 PolarHBondContact SD-OD1 2.83Å; N240-N244 PolarHBondContact O-OD1 3.11Å; S241-N244 WeakPolarHBondContact O-CB 3.37Å; S241-N244 PolarHBondContact O-N 3.47Å; S241-N244 PolarHBondContact O-ND2 2.91Å; N244-V247 HydrophobicContact CB-CG1 3.71Å; N244-V247 HydrophobicContact CB-CG2 4.42Å; N244-V247 WeakPolarHBondContact O-CG2 3.46Å
245	S	81.1	Confident	73.8	Confident	13 Å²	13	44 Å²	44	9%	0.091	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	144.4	176.2	-68.9	0	0	0	0	111.1	L243 V247	L243-S245 PolarHBondContact O-N 2.86Å; S245-V247 VanDerWaalsContact C-N 3.27Å; S245-V247 PolarHBondContact O-N 3.16Å; S245-V247 VanDerWaalsContact O-N 3.17Å
246	T	91.7	Very high	76.3	Confident	12 Å²	12	41.2 Å²	41.2	7%	0.074	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-12.2	171.4	81.2	0	0	0	0	118.3	E208 A209 S211 L216 P223 L248 W249 N250	E208-T246 PolarHBondContact O-N 2.93Å; A209-T246 CarbonylContact O-C 3.5Å; A209-T246 VanDerWaalsContact O-C 3.26Å; S211-T246 VanDerWaalsContact O-CA 3.25Å; S211-T246 WeakPolarHBondContact O-CA 3.38Å; S211-T246 WeakPolarHBondContact O-CB 3.35Å; S211-T246 VanDerWaalsContact O-CG2 3.29Å; S211-T246 WeakPolarHBondContact O-CG2 3.4Å; L216-T246 HydrophobicContact CD1-CG2 3.86Å; P223-T246 HydrophobicContact CG-CG2 4.38Å; T246-L248 VanDerWaalsContact C-N 3.28Å; T246-L248 PolarHBondContact O-N 2.68Å; T246-W249 WeakPolarHBondContact O-CB 3.26Å; T246-W249 PolarHBondContact O-N 2.77Å; T246-N250 WeakPolarHBondContact O-CB 3.45Å; T246-N250 PolarHBondContact O-N 3.46Å; T246-N250 PolarHBondContact O-ND2 3.09Å; T246-N250 PolarHBondContact OG1-ND2 2.95Å
247	V	93.1	Very high	79	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-29.8	-168.8	-61.4	0	0	0	0	114.6	M150 S151 A209 N244 S245 A251	M150-V247 HydrophobicContact CB-CB 4.14Å; M150-V247 HydrophobicContact CB-CG2 4.35Å; M150-V247 HydrophobicContact CG-CB 4.24Å; M150-V247 HydrophobicContact CG-CG2 3.9Å; M150-V247 HydrophobicContact SD-CB 4.44Å; M150-V247 HydrophobicContact SD-CG2 3.73Å; S151-V247 PolarHBondContact N-O 3.24Å; S151-V247 VanDerWaalsContact N-O 3.09Å; S151-V247 WeakPolarHBondContact O-CA 3.38Å; A209-V247 PolarHBondContact O-N 3.45Å; N244-V247 HydrophobicContact CB-CG1 3.71Å; N244-V247 HydrophobicContact CB-CG2 4.42Å; N244-V247 WeakPolarHBondContact O-CG2 3.46Å; S245-V247 VanDerWaalsContact C-N 3.27Å; S245-V247 PolarHBondContact O-N 3.16Å; S245-V247 VanDerWaalsContact O-N 3.17Å; V247-A251 PolarHBondContact O-N 2.74Å
248	L	96.2	Very high	81.4	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-89.1	-33.4	177.9	-56.2	179.7	0	0	0	111.9	N149 M150 W202 T205 A209 W210 T246 N250 A251 M252 I253	N149-L248 WeakPolarHBondContact O-CD2 3.46Å; M150-L248 HydrophobicContact CG-CD2 3.64Å; W202-L248 HydrophobicContact CB-CD1 4.12Å; W202-L248 HydrophobicContact CD2-CD2 4.23Å; W202-L248 HydrophobicContact CE3-CD2 3.43Å; W202-L248 VanDerWaalsContact CE3-CD2 3.43Å; W202-L248 HydrophobicContact CZ3-CD2 3.78Å; T205-L248 HydrophobicContact CG2-CD1 3.48Å; T205-L248 VanDerWaalsContact CG2-CD1 3.48Å; A209-L248 HydrophobicContact CB-CB 4.35Å; A209-L248 HydrophobicContact CB-CD1 3.78Å; A209-L248 HydrophobicContact CB-CG 3.96Å; A209-L248 CarbonylContact O-C 3.58Å; A209-L248 WeakPolarHBondContact O-CA 3.32Å; A209-L248 WeakPolarHBondContact O-CB 3.38Å; A209-L248 PolarHBondContact O-N 3.03Å; W210-L248 HydrophobicContact CD2-CB 4.01Å; W210-L248 HydrophobicContact CD2-CD1 4.2Å; W210-L248 HydrophobicContact CE3-CB 4Å; W210-L248 HydrophobicContact CH2-CB 4.39Å; W210-L248 HydrophobicContact CH2-CD1 4.24Å; W210-L248 HydrophobicContact CZ2-CB 4.42Å; W210-L248 HydrophobicContact CZ2-CD1 3.62Å; W210-L248 HydrophobicContact CZ3-CB 4.19Å; T246-L248 VanDerWaalsContact C-N 3.28Å; T246-L248 PolarHBondContact O-N 2.68Å; L248-N250 PolarHBondContact O-N 2.81Å; L248-A251 PolarHBondContact O-N 3.11Å; L248-M252 HydrophobicContact CD2-SD 3.77Å; L248-M252 WeakPolarHBondContact O-CA 3.46Å; L248-M252 WeakPolarHBondContact O-CB 3.2Å; L248-M252 PolarHBondContact O-N 3.43Å; L248-I253 PolarHBondContact O-N 2.93Å
249	W	97.8	Very high	84	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-51.3	-51.4	165.6	164.5	-98	0	0	0	109.9	E154 A209 R214 T246 A251 I253 H254 L257 W291 A294	E154-W249 PolarHBondContact OE1-NE1 2.71Å; A209-W249 PolarHBondContact O-N 3.37Å; R214-W249 VanDerWaalsContact NH2-CH2 3.27Å; T246-W249 WeakPolarHBondContact O-CB 3.26Å; T246-W249 PolarHBondContact O-N 2.77Å; W249-A251 PolarHBondContact O-N 3Å; W249-I253 HydrophobicContact CE3-CB 3.81Å; W249-I253 HydrophobicContact CE3-CG2 3.58Å; W249-I253 HydrophobicContact CH2-CG2 4.22Å; W249-I253 HydrophobicContact CZ3-CB 4.12Å; W249-I253 HydrophobicContact CZ3-CG2 3.36Å; W249-I253 PolarHBondContact O-N 3.11Å; W249-H254 HydrophobicContact CZ2-CB 4.4Å; W249-H254 WeakPolarHBondContact O-CB 3.34Å; W249-H254 PolarHBondContact O-N 3.16Å; W249-L257 HydrophobicContact CH2-CD1 4.2Å; W249-L257 HydrophobicContact CH2-CD2 3.88Å; W249-L257 HydrophobicContact CZ2-CD1 4.06Å; W249-W291 AromaticContact CE3-CD1 3.75Å; W249-W291 AromaticContact CE3-NE1 3.37Å; W249-W291 AromaticContact CZ3-CD1 3.29Å; W249-W291 HydrophobicContact CZ3-CD2 4.38Å; W249-W291 AromaticContact CZ3-CG 3.93Å; W249-W291 HydrophobicContact CZ3-CG 3.93Å; W249-W291 AromaticContact CZ3-NE1 3.39Å; W249-A294 HydrophobicContact CH2-CB 3.63Å; W249-A294 HydrophobicContact CZ2-CB 4.15Å
250	N	97.8	Very high	86.5	Confident	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.104	C	C	.	.	I	π-helix	trans	-61.7	-40.1	-175.9	-73.7	-16.3	0	0	0	113.9	S151 K152 T153 E154 L155 T246 L248	S151-N250 VanDerWaalsContact O-CB 3.31Å; S151-N250 WeakPolarHBondContact O-CB 3.37Å; S151-N250 PolarHBondContact O-ND2 2.59Å; K152-N250 VanDerWaalsContact C-ND2 3.32Å; K152-N250 PolarHBondContact O-ND2 2.81Å; T153-N250 PolarHBondContact N-ND2 3.07Å; T153-N250 WeakPolarHBondContact O-CB 3.23Å; E154-N250 WeakPolarHBondContact CG-OD1 3.49Å; L155-N250 PolarHBondContact N-O 3.22Å; T246-N250 WeakPolarHBondContact O-CB 3.45Å; T246-N250 PolarHBondContact O-N 3.46Å; T246-N250 PolarHBondContact O-ND2 3.09Å; T246-N250 PolarHBondContact OG1-ND2 2.95Å; L248-N250 PolarHBondContact O-N 2.81Å
251	A	97.3	Very high	89	Confident	2 Å²	2	13.7 Å²	13.7	2%	0.017	7%	0.073	C	C	.	.	I	π-helix	trans	-104.8	-23.1	-170.6	0	0	0	0	0	114.8	N149 L155 V247 L248 W249	N149-A251 HydrophobicContact CB-CB 4.26Å; N149-A251 WeakPolarHBondContact O-CB 3.23Å; L155-A251 HydrophobicContact CD1-CB 3.99Å; V247-A251 PolarHBondContact O-N 2.74Å; L248-A251 PolarHBondContact O-N 3.11Å; W249-A251 PolarHBondContact O-N 3Å
252	M	98.1	Very high	91.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-125	-5.9	-170.6	-60.9	179.6	69.1	0	0	114	T146 L148 N149 S200 W202 W210 L248 F256	T146-M252 HydrophobicContact CG2-CB 4.43Å; T146-M252 HydrophobicContact CG2-CE 3.74Å; L148-M252 HydrophobicContact CD2-CE 3.93Å; N149-M252 WeakPolarHBondContact O-CG 3.06Å; S200-M252 WeakPolarHBondContact OG-CB 3.49Å; S200-M252 PolarHBondContact OG-O 2.92Å; W202-M252 HydrophobicContact CE3-CE 4.49Å; W202-M252 HydrophobicContact CE3-SD 3.64Å; W202-M252 HydrophobicContact CZ3-SD 4.21Å; W210-M252 HydrophobicContact CH2-CE 4.22Å; W210-M252 HydrophobicContact CH2-SD 4.38Å; W210-M252 HydrophobicContact CZ3-CB 4.28Å; L248-M252 HydrophobicContact CD2-SD 3.77Å; L248-M252 WeakPolarHBondContact O-CA 3.46Å; L248-M252 WeakPolarHBondContact O-CB 3.2Å; L248-M252 PolarHBondContact O-N 3.43Å; M252-F256 WeakPolarHBondContact O-CD2 3.24Å; M252-F256 VanDerWaalsContact O-CE2 3.23Å; M252-F256 WeakPolarHBondContact O-CE2 3.44Å
253	I	98.7	Very high	93.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-122.8	-50.1	174.8	-55.5	-64.7	0	0	0	111.6	L111 W210 L248 W249 P255 F256 W291 F295	L111-I253 HydrophobicContact CD2-CD1 4.28Å; W210-I253 HydrophobicContact CE3-CD1 3.97Å; W210-I253 HydrophobicContact CE3-CG1 3.8Å; W210-I253 HydrophobicContact CZ3-CD1 3.93Å; W210-I253 HydrophobicContact CZ3-CG1 4.08Å; L248-I253 PolarHBondContact O-N 2.93Å; W249-I253 HydrophobicContact CE3-CB 3.81Å; W249-I253 HydrophobicContact CE3-CG2 3.58Å; W249-I253 HydrophobicContact CH2-CG2 4.22Å; W249-I253 HydrophobicContact CZ3-CB 4.12Å; W249-I253 HydrophobicContact CZ3-CG2 3.36Å; W249-I253 PolarHBondContact O-N 3.11Å; I253-P255 VanDerWaalsContact C-CD 3.44Å; I253-P255 VanDerWaalsContact C-N 3.32Å; I253-F256 WeakPolarHBondContact O-CB 3.38Å; I253-F256 PolarHBondContact O-N 2.7Å; I253-W291 HydrophobicContact CB-CZ2 4.37Å; I253-W291 HydrophobicContact CD1-CH2 3.31Å; I253-W291 HydrophobicContact CD1-CZ2 3.64Å; I253-W291 HydrophobicContact CD1-CZ3 4.04Å; I253-W291 HydrophobicContact CG1-CH2 3.86Å; I253-W291 HydrophobicContact CG1-CZ2 3.59Å; I253-W291 HydrophobicContact CG2-CD2 4.18Å; I253-W291 HydrophobicContact CG2-CE3 4.46Å; I253-W291 HydrophobicContact CG2-CH2 4.3Å; I253-W291 HydrophobicContact CG2-CZ2 3.99Å; I253-F295 HydrophobicContact CG2-CE2 3.98Å; I253-F295 HydrophobicContact CG2-CZ 4.28Å
254	H	98.8	Very high	95.4	Very high	40 Å²	40	10.9 Å²	10.9	19%	0.185	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-54.1	-39	-178.6	-175.2	-79.5	0	0	0	113.7	E154 L155 W249 F256 L257	E154-H254 HydrophobicContact CB-CB 4.42Å; E154-H254 HydrophobicContact CG-CB 4.4Å; E154-H254 IonicContact OE1-CD2 3.32Å; E154-H254 PolarHBondContact OE1-CD2 3.05Å; E154-H254 IonicContact OE2-CD2 3.1Å; E154-H254 IonicContact OE2-NE2 2.77Å; L155-H254 PolarHBondContact O-ND1 3.33Å; W249-H254 HydrophobicContact CZ2-CB 4.4Å; W249-H254 WeakPolarHBondContact O-CB 3.34Å; W249-H254 PolarHBondContact O-N 3.16Å; H254-F256 PolarHBondContact O-N 3.3Å; H254-F256 VanDerWaalsContact O-N 3.09Å; H254-L257 HydrophobicContact CB-CD1 4.48Å; H254-L257 VanDerWaalsContact CD2-CD1 3.44Å; H254-L257 WeakPolarHBondContact CD2-CD1 3.15Å; H254-L257 VanDerWaalsContact O-CG 3.24Å; H254-L257 WeakPolarHBondContact O-CG 3.22Å; H254-L257 PolarHBondContact O-N 2.7Å; H254-L257 VanDerWaalsContact O-N 3.15Å
255	P	98.7	Very high	97	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.1	175.1	-31	40.3	0	0	0	114.7	Y26 L155 L158 I253	Y26-P255 WeakPolarHBondContact CE1-O 3.5Å; L155-P255 HydrophobicContact CB-CG 4.08Å; L158-P255 HydrophobicContact CD2-CB 3.65Å; L158-P255 HydrophobicContact CD2-CG 3.96Å; L158-P255 HydrophobicContact CG-CB 4.06Å; I253-P255 VanDerWaalsContact C-CD 3.44Å; I253-P255 VanDerWaalsContact C-N 3.32Å
256	F	98.7	Very high	97.8	Very high	1 Å²	1	8.2 Å²	8.2	0%	0.004	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-88	-3.2	-178.5	-62.5	-61.5	0	0	0	114.2	Y26 F144 T146 L158 V198 M252 I253 H254 N258 M259 F295	Y26-F256 HydrophobicContact CD1-CD1 4.01Å; Y26-F256 HydrophobicContact CD1-CE1 4.2Å; Y26-F256 HydrophobicContact CE1-CD1 4.38Å; Y26-F256 HydrophobicContact CG-CD1 4.1Å; Y26-F256 HydrophobicContact CG-CE1 4.06Å; F144-F256 AromaticContact CE1-CE1 3.78Å; F144-F256 HydrophobicContact CE1-CE1 3.78Å; F144-F256 AromaticContact CE1-CZ 3.76Å; F144-F256 HydrophobicContact CE1-CZ 3.76Å; F144-F256 HydrophobicContact CZ-CE1 4.26Å; F144-F256 HydrophobicContact CZ-CZ 4.44Å; T146-F256 HydrophobicContact CG2-CE2 4.37Å; T146-F256 HydrophobicContact CG2-CZ 4.5Å; L158-F256 HydrophobicContact CD1-CE1 3.75Å; L158-F256 HydrophobicContact CD1-CZ 3.66Å; L158-F256 HydrophobicContact CD2-CE1 4.3Å; L158-F256 HydrophobicContact CD2-CE2 4.08Å; L158-F256 HydrophobicContact CD2-CZ 3.79Å; L158-F256 HydrophobicContact CG-CE1 4.25Å; L158-F256 HydrophobicContact CG-CZ 4.15Å; V198-F256 HydrophobicContact CG1-CE1 4.13Å; V198-F256 HydrophobicContact CG1-CE2 4.28Å; V198-F256 HydrophobicContact CG1-CZ 4.01Å; M252-F256 WeakPolarHBondContact O-CD2 3.24Å; M252-F256 VanDerWaalsContact O-CE2 3.23Å; M252-F256 WeakPolarHBondContact O-CE2 3.44Å; I253-F256 WeakPolarHBondContact O-CB 3.38Å; I253-F256 PolarHBondContact O-N 2.7Å; H254-F256 PolarHBondContact O-N 3.3Å; H254-F256 VanDerWaalsContact O-N 3.09Å; F256-N258 PolarHBondContact O-N 3.21Å; F256-M259 HydrophobicContact CD1-CE 3.97Å; F256-M259 HydrophobicContact CE1-CE 4.42Å; F256-M259 WeakPolarHBondContact O-CA 3.28Å; F256-M259 WeakPolarHBondContact O-CB 3.45Å; F256-M259 PolarHBondContact O-N 3.18Å; F256-F295 HydrophobicContact CB-CE1 3.99Å; F256-F295 HydrophobicContact CB-CZ 4.1Å; F256-F295 VanDerWaalsContact O-CE1 3.31Å; F256-F295 WeakPolarHBondContact O-CE1 3.23Å
257	L	98.6	Very high	98.2	Very high	13 Å²	13	7.7 Å²	7.7	7%	0.068	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.5	-170.1	-63.6	178.9	0	0	0	114.4	W249 H254 M259 A294 F295 G298 S299	W249-L257 HydrophobicContact CH2-CD1 4.2Å; W249-L257 HydrophobicContact CH2-CD2 3.88Å; W249-L257 HydrophobicContact CZ2-CD1 4.06Å; H254-L257 HydrophobicContact CB-CD1 4.48Å; H254-L257 VanDerWaalsContact CD2-CD1 3.44Å; H254-L257 WeakPolarHBondContact CD2-CD1 3.15Å; H254-L257 VanDerWaalsContact O-CG 3.24Å; H254-L257 WeakPolarHBondContact O-CG 3.22Å; H254-L257 PolarHBondContact O-N 2.7Å; H254-L257 VanDerWaalsContact O-N 3.15Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-A294 HydrophobicContact CD1-CB 3.96Å; L257-A294 HydrophobicContact CD2-CB 3.75Å; L257-A294 HydrophobicContact CG-CB 4.49Å; L257-F295 HydrophobicContact CD2-CB 4.47Å; L257-F295 HydrophobicContact CD2-CD1 4.1Å; L257-F295 HydrophobicContact CD2-CD2 3.67Å; L257-F295 HydrophobicContact CD2-CE1 4.23Å; L257-F295 HydrophobicContact CD2-CE2 3.81Å; L257-F295 HydrophobicContact CD2-CG 3.82Å; L257-F295 HydrophobicContact CD2-CZ 4.08Å; L257-G298 CarbonylContact O-C 3.56Å; L257-G298 WeakPolarHBondContact O-CA 3.47Å; L257-S299 PolarHBondContact O-N 2.9Å
258	N	97.7	Very high	98.4	Very high	34 Å²	34	7.5 Å²	7.5	18%	0.182	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-13.3	174	-69.2	-0.3	0	0	0	113.1	V41 W43 F256 T260 G298	V41-N258 WeakPolarHBondContact CB-O 3.24Å; W43-N258 VanDerWaalsContact CD1-CB 3.48Å; W43-N258 HydrophobicContact CG-CB 4.29Å; F256-N258 PolarHBondContact O-N 3.21Å; N258-T260 PolarHBondContact O-N 3.01Å; N258-G298 PolarHBondContact OD1-O 2.84Å
259	M	98.6	Very high	98.5	Very high	5 Å²	5	7.5 Å²	7.5	3%	0.025	4%	0.036	C	C	.	.	S	Bend	trans	-73.7	125.4	173.7	-173.1	-176.2	-68.9	0	0	109.1	Y26 I109 W165 V198 F256 L257 I261 T303	Y26-M259 HydrophobicContact CD2-CE 3.36Å; Y26-M259 HydrophobicContact CE2-CB 4.16Å; Y26-M259 HydrophobicContact CE2-CE 3.53Å; Y26-M259 HydrophobicContact CG-CE 4.14Å; Y26-M259 PolarHBondContact OH-N 3.4Å; I109-M259 HydrophobicContact CD1-CG 4.21Å; I109-M259 HydrophobicContact CD1-SD 4.15Å; I109-M259 HydrophobicContact CG2-SD 3.92Å; W165-M259 HydrophobicContact CZ2-CE 4.41Å; V198-M259 HydrophobicContact CG2-CE 4.29Å; V198-M259 HydrophobicContact CG2-SD 4Å; F256-M259 HydrophobicContact CD1-CE 3.97Å; F256-M259 HydrophobicContact CE1-CE 4.42Å; F256-M259 WeakPolarHBondContact O-CA 3.28Å; F256-M259 WeakPolarHBondContact O-CB 3.45Å; F256-M259 PolarHBondContact O-N 3.18Å; L257-M259 VanDerWaalsContact C-N 3.31Å; M259-I261 HydrophobicContact CB-CG2 4.42Å; M259-I261 HydrophobicContact CG-CG2 4Å; M259-I261 PolarHBondContact O-N 3.47Å; M259-I261 HydrophobicContact SD-CG2 4Å; M259-T303 PolarHBondContact O-OG1 3.02Å
260	T	98.8	Very high	98.5	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.025	4%	0.039	C	C	.	.			trans	-71.5	119.9	168.3	-48.6	0	0	0	0	108.6	Q34 Q38 K39 V41 N258 Q302 T303	Q34-T260 HydrophobicContact CB-CG2 3.79Å; Q34-T260 WeakPolarHBondContact CB-O 3.27Å; Q34-T260 HydrophobicContact CG-CG2 3.7Å; Q38-T260 HydrophobicContact CB-CG2 4.09Å; K39-T260 WeakPolarHBondContact O-CB 3.37Å; K39-T260 WeakPolarHBondContact O-CG2 3.18Å; K39-T260 PolarHBondContact O-OG1 2.63Å; V41-T260 PolarHBondContact N-OG1 3.32Å; N258-T260 PolarHBondContact O-N 3.01Å; T260-Q302 HydrophobicContact CG2-CB 3.8Å; T260-T303 WeakPolarHBondContact CA-OG1 3.32Å
261	I	98.8	Very high	98.4	Very high	5 Å²	5	9 Å²	9	3%	0.026	5%	0.047	C	C	.	.			trans	-117.3	155.2	178.9	63.3	170.1	0	0	0	111.7	I109 M259 F295 T303 F307	I109-I261 HydrophobicContact CB-CG2 4.43Å; I109-I261 HydrophobicContact CG2-CG2 4.05Å; M259-I261 HydrophobicContact CB-CG2 4.42Å; M259-I261 HydrophobicContact CG-CG2 4Å; M259-I261 PolarHBondContact O-N 3.47Å; M259-I261 HydrophobicContact SD-CG2 4Å; I261-F295 HydrophobicContact CD1-CD1 3.82Å; I261-F295 HydrophobicContact CD1-CD2 4.23Å; I261-F295 HydrophobicContact CD1-CE1 3.9Å; I261-F295 HydrophobicContact CD1-CE2 4.32Å; I261-F295 HydrophobicContact CD1-CG 4Å; I261-F295 HydrophobicContact CD1-CZ 4.17Å; I261-F295 HydrophobicContact CG1-CD1 4.06Å; I261-F295 HydrophobicContact CG1-CE1 4.41Å; I261-F295 HydrophobicContact CG1-CG 4.45Å; I261-F295 HydrophobicContact CG2-CE1 4.34Å; I261-T303 HydrophobicContact CG1-CG2 3.73Å; I261-T303 PolarHBondContact N-OG1 3.09Å; I261-T303 VanDerWaalsContact N-OG1 3.12Å; I261-F307 HydrophobicContact CD1-CE1 4.17Å; I261-F307 HydrophobicContact CD1-CE2 4.25Å; I261-F307 HydrophobicContact CD1-CZ 4.02Å
262	Y	98.9	Very high	98.4	Very high	41 Å²	41	8.9 Å²	8.9	16%	0.161	5%	0.046	C	C	.	.	S	Bend	trans	-84.3	-43.8	172.2	-170	-95.9	0	0	0	111.3	Q34 D108 I109 W110 P308 A386 Y387	Q34-Y262 VanDerWaalsContact OE1-N 3.14Å; D108-Y262 HydrophobicContact CB-CD1 4.4Å; D108-Y262 HydrophobicContact CB-CD2 4.2Å; D108-Y262 HydrophobicContact CB-CG 3.86Å; D108-Y262 WeakPolarHBondContact OD1-CD2 3.29Å; I109-Y262 WeakPolarHBondContact O-CB 3.46Å; I109-Y262 PolarHBondContact O-N 3Å; W110-Y262 AromaticContact CE2-CD1 3.8Å; W110-Y262 HydrophobicContact CH2-CD1 4.25Å; W110-Y262 AromaticContact CZ2-CD1 3.48Å; W110-Y262 HydrophobicContact CZ2-CD1 3.48Å; W110-Y262 VanDerWaalsContact CZ2-CD1 3.48Å; W110-Y262 AromaticContact CZ2-CE1 3.83Å; W110-Y262 HydrophobicContact CZ2-CE1 3.83Å; W110-Y262 AromaticContact NE1-CD1 3.94Å; Y262-P308 HydrophobicContact CD1-CG 4.03Å; Y262-P308 HydrophobicContact CE1-CG 3.89Å; Y262-P308 WeakPolarHBondContact O-CD 3.33Å; Y262-P308 WeakPolarHBondContact O-CG 3.28Å; Y262-A386 HydrophobicContact CE1-CB 4.09Å; Y262-A386 PolarHBondContact OH-O 2.71Å; Y262-Y387 HydrophobicContact CE1-CD1 4.35Å; Y262-Y387 HydrophobicContact CE1-CD2 4.49Å; Y262-Y387 AromaticContact CE1-CE1 3.67Å; Y262-Y387 HydrophobicContact CE1-CE1 3.67Å; Y262-Y387 AromaticContact CE1-CE2 3.83Å; Y262-Y387 HydrophobicContact CE1-CE2 3.83Å; Y262-Y387 AromaticContact CE1-CZ 3.39Å; Y262-Y387 HydrophobicContact CE2-CE1 4.23Å; Y262-Y387 AromaticContact CZ-CD1 3.98Å; Y262-Y387 AromaticContact CZ-CE1 3.49Å; Y262-Y387 VanDerWaalsContact CZ-CE1 3.49Å; Y262-Y387 AromaticContact CZ-CZ 3.76Å; Y262-Y387 WeakPolarHBondContact OH-CD1 3.34Å; Y262-Y387 WeakPolarHBondContact OH-CE1 3.07Å
263	G	98.9	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	-179.6	-175.6	0	0	0	0	0	113.9	I109 W110 L111 P308	I109-G263 PolarHBondContact O-N 2.69Å; W110-G263 WeakPolarHBondContact CA-O 3.39Å; W110-G263 VanDerWaalsContact CE3-C 3.44Å; L111-G263 PolarHBondContact N-O 2.99Å; G263-P308 VanDerWaalsContact CA-O 3.25Å; G263-P308 WeakPolarHBondContact CA-O 3.49Å
264	A	98.9	Very high	97.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.8	173.9	0	0	0	0	0	111.9	L111 F307 P308 F309 G310	L111-A264 HydrophobicContact CB-CB 4.19Å; L111-A264 CarbonylContact O-C 3.59Å; L111-A264 WeakPolarHBondContact O-CA 3.49Å; L111-A264 WeakPolarHBondContact O-CB 3.1Å; A264-F307 HydrophobicContact CB-CE2 3.94Å; A264-P308 PolarHBondContact N-O 3.31Å; A264-F309 HydrophobicContact CB-CD2 3.83Å; A264-F309 HydrophobicContact CB-CE2 3.76Å; A264-F309 HydrophobicContact CB-CZ 4.4Å; A264-F309 WeakPolarHBondContact O-CA 2.94Å; A264-G310 PolarHBondContact O-N 3.19Å
265	I	98.9	Very high	97.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.3	165.6	63.5	174	0	0	0	110.1	W110 L111 C112 G113 M118 F183 G310 F349 L378	W110-I265 HydrophobicContact CE3-CG2 3.95Å; W110-I265 HydrophobicContact CZ3-CG2 4.07Å; L111-I265 PolarHBondContact O-N 2.88Å; C112-I265 HydrophobicContact CB-CD1 4.46Å; C112-I265 HydrophobicContact CB-CG1 4.11Å; G113-I265 PolarHBondContact N-O 3.45Å; M118-I265 HydrophobicContact CE-CD1 4.26Å; M118-I265 HydrophobicContact CE-CG1 3.96Å; F183-I265 HydrophobicContact CB-CD1 3.94Å; F183-I265 HydrophobicContact CD1-CD1 3.97Å; F183-I265 HydrophobicContact CD1-CG2 4.41Å; F183-I265 HydrophobicContact CD2-CG2 4.36Å; F183-I265 HydrophobicContact CE1-CG2 4.16Å; F183-I265 HydrophobicContact CE2-CG2 4.1Å; F183-I265 HydrophobicContact CG-CD1 3.88Å; F183-I265 HydrophobicContact CZ-CG2 3.99Å; I265-G310 CarbonylContact C-O 3.59Å; I265-G310 VanDerWaalsContact CA-O 3.26Å; I265-G310 WeakPolarHBondContact CA-O 3.28Å; I265-F349 HydrophobicContact CG2-CZ 4.36Å; I265-L378 HydrophobicContact CB-CD1 4.41Å; I265-L378 HydrophobicContact CD1-CD1 4.41Å; I265-L378 HydrophobicContact CG2-CD1 4.45Å
266	W	98.9	Very high	97.3	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.4	-168.9	-175.3	-102.3	0	0	0	112.8	G113 W210 Q268 F284 M287 W291 F309 G310 F311 V312	G113-W266 VanDerWaalsContact C-CZ3 3.4Å; G113-W266 CarbonylContact O-C 3.52Å; G113-W266 VanDerWaalsContact O-CA 3.27Å; G113-W266 WeakPolarHBondContact O-CA 3.31Å; W210-W266 HydrophobicContact CB-CH2 3.73Å; W210-W266 HydrophobicContact CB-CZ2 4.38Å; W210-W266 AromaticContact CD1-CH2 3.66Å; W210-W266 AromaticContact CD2-CH2 3.63Å; W210-W266 HydrophobicContact CD2-CH2 3.63Å; W210-W266 HydrophobicContact CD2-CZ3 4.21Å; W210-W266 HydrophobicContact CE3-CH2 4.2Å; W210-W266 HydrophobicContact CE3-CZ3 4.33Å; W210-W266 AromaticContact CG-CH2 3.41Å; W210-W266 HydrophobicContact CG-CH2 3.41Å; W210-W266 VanDerWaalsContact CG-CH2 3.41Å; W210-W266 HydrophobicContact CG-CZ2 4.18Å; W210-W266 HydrophobicContact CG-CZ3 4.33Å; W266-Q268 HydrophobicContact CD2-CB 4.5Å; W266-Q268 HydrophobicContact CH2-CB 4.48Å; W266-Q268 HydrophobicContact CZ2-CB 3.52Å; W266-Q268 HydrophobicContact CZ2-CG 3.78Å; W266-F284 AromaticContact CD1-CE2 3.35Å; W266-F284 AromaticContact CD1-CZ 3.7Å; W266-F284 HydrophobicContact CG-CE2 4.09Å; W266-F284 AromaticContact NE1-CE2 3.48Å; W266-M287 HydrophobicContact CD2-CE 4.12Å; W266-M287 HydrophobicContact CE3-CE 4.39Å; W266-M287 HydrophobicContact CH2-CE 4.27Å; W266-M287 HydrophobicContact CH2-SD 4.41Å; W266-M287 HydrophobicContact CZ2-CE 3.93Å; W266-M287 HydrophobicContact CZ2-SD 4.27Å; W266-M287 HydrophobicContact CZ3-CE 4.47Å; W266-W291 HydrophobicContact CE3-CH2 4.05Å; W266-W291 AromaticContact CZ3-CH2 3.65Å; W266-W291 HydrophobicContact CZ3-CH2 3.65Å; W266-W291 HydrophobicContact CZ3-CZ2 4.12Å; W266-F309 HydrophobicContact CB-CD1 4.48Å; W266-F309 HydrophobicContact CB-CE1 3.45Å; W266-F309 VanDerWaalsContact CB-CE1 3.45Å; W266-F309 HydrophobicContact CB-CZ 3.88Å; W266-F309 HydrophobicContact CD2-CZ 4.5Å; W266-F309 HydrophobicContact CG-CE1 4.02Å; W266-F309 HydrophobicContact CG-CZ 4.23Å; W266-G310 PolarHBondContact N-O 2.95Å; W266-F311 HydrophobicContact CB-CB 4.02Å; W266-F311 CarbonylContact O-C 3.45Å; W266-F311 WeakPolarHBondContact O-CA 3.29Å; W266-F311 WeakPolarHBondContact O-CB 3.42Å; W266-V312 PolarHBondContact O-N 3.39Å
267	Y	98.9	Very high	97.1	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	95	171.6	-161.9	165.7	0	0	0	110.8	G113 G114 Q115 N117 L179 V312 L314	G113-Y267 PolarHBondContact O-N 2.86Å; G114-Y267 WeakPolarHBondContact CA-O 3.31Å; Q115-Y267 PolarHBondContact N-O 3.42Å; N117-Y267 HydrophobicContact CB-CD1 3.65Å; N117-Y267 HydrophobicContact CB-CD2 3.91Å; N117-Y267 HydrophobicContact CB-CE1 3.57Å; N117-Y267 HydrophobicContact CB-CE2 3.79Å; N117-Y267 HydrophobicContact CB-CG 3.84Å; L179-Y267 HydrophobicContact CD2-CD1 3.68Å; L179-Y267 HydrophobicContact CD2-CG 4.46Å; Y267-V312 HydrophobicContact CD1-CB 3.75Å; Y267-V312 HydrophobicContact CD1-CG1 3.91Å; Y267-V312 HydrophobicContact CD1-CG2 3.7Å; Y267-V312 HydrophobicContact CD2-CB 3.76Å; Y267-V312 HydrophobicContact CD2-CG1 4.11Å; Y267-V312 HydrophobicContact CD2-CG2 4.5Å; Y267-V312 HydrophobicContact CE1-CB 3.98Å; Y267-V312 HydrophobicContact CE1-CG1 3.58Å; Y267-V312 HydrophobicContact CE1-CG2 4.2Å; Y267-V312 HydrophobicContact CE2-CB 4.04Å; Y267-V312 HydrophobicContact CE2-CG1 3.85Å; Y267-V312 HydrophobicContact CG-CB 3.62Å; Y267-V312 HydrophobicContact CG-CG1 4.15Å; Y267-V312 HydrophobicContact CG-CG2 3.86Å; Y267-L314 HydrophobicContact CE2-CD2 4.16Å
268	Q	98.6	Very high	96.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.			trans	-157.7	156.5	177.9	-174.3	-72.8	-30.2	0	0	110.8	Q115 T205 W266 N272 Y280 Q333	Q115-Q268 HydrophobicContact CB-CB 4.44Å; Q115-Q268 HydrophobicContact CB-CG 4.03Å; Q115-Q268 HydrophobicContact CG-CB 3.96Å; Q115-Q268 HydrophobicContact CG-CG 3.81Å; T205-Q268 PolarHBondContact O-NE2 3.25Å; W266-Q268 HydrophobicContact CD2-CB 4.5Å; W266-Q268 HydrophobicContact CH2-CB 4.48Å; W266-Q268 HydrophobicContact CZ2-CB 3.52Å; W266-Q268 HydrophobicContact CZ2-CG 3.78Å; Q268-N272 PolarHBondContact NE2-OD1 3.14Å; Q268-Y280 PolarHBondContact O-OH 3.4Å; Q268-Y280 PolarHBondContact OE1-OH 2.75Å; Q268-Q333 PolarHBondContact O-NE2 3.34Å; Q268-Q333 VanDerWaalsContact O-NE2 3.12Å
269	G	98.2	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.			trans	155.2	-17.2	169.3	0	0	0	0	0	111.9	A271 N272 A273	G269-A271 VanDerWaalsContact C-N 3.31Å; G269-A271 PolarHBondContact O-N 2.88Å; G269-N272 WeakPolarHBondContact O-CA 3.48Å; G269-N272 WeakPolarHBondContact O-CB 3.25Å; G269-N272 PolarHBondContact O-N 3.47Å; G269-A273 PolarHBondContact O-N 3.28Å
270	E	98.1	Very high	96.7	Very high	13 Å²	13	28.6 Å²	28.6	6%	0.061	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.4	-173.5	-57.2	86.7	151.5	0	0	111.9	Q115 N117 N272 A273 L314 F326 I366	Q115-E270 WeakPolarHBondContact CG-OE2 3.33Å; Q115-E270 PolarHBondContact NE2-OE2 3.41Å; Q115-E270 PolarHBondContact OE1-OE2 3.46Å; Q115-E270 VanDerWaalsContact OE1-OE2 3.12Å; N117-E270 PolarHBondContact ND2-OE1 3.14Å; E270-N272 VanDerWaalsContact C-N 3.27Å; E270-N272 PolarHBondContact O-N 3.13Å; E270-A273 VanDerWaalsContact O-CB 3.28Å; E270-A273 WeakPolarHBondContact O-CB 3.4Å; E270-A273 PolarHBondContact O-N 2.8Å; E270-L314 VanDerWaalsContact CD-CD2 3.49Å; E270-L314 HydrophobicContact CG-CD1 4.18Å; E270-L314 HydrophobicContact CG-CD2 3.9Å; E270-L314 WeakPolarHBondContact OE2-CD2 3.49Å; E270-F326 HydrophobicContact CB-CZ 4.01Å; E270-F326 HydrophobicContact CG-CE1 4.1Å; E270-F326 HydrophobicContact CG-CZ 3.88Å; E270-I366 HydrophobicContact CB-CD1 4Å; E270-I366 HydrophobicContact CG-CD1 4.1Å; E270-I366 HydrophobicContact CG-CG1 4.12Å
271	A	96.1	Very high	96.6	Very high	25 Å²	25	30.2 Å²	30.2	21%	0.207	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-64.1	-34.5	174.3	0	0	0	0	0	112.1	P206 G269 A273 E274 Y275	P206-A271 HydrophobicContact CB-CB 4.28Å; G269-A271 VanDerWaalsContact C-N 3.31Å; G269-A271 PolarHBondContact O-N 2.88Å; A271-A273 PolarHBondContact O-N 3.29Å; A271-E274 PolarHBondContact O-N 2.88Å; A271-Y275 WeakPolarHBondContact O-CB 3.35Å; A271-Y275 PolarHBondContact O-N 2.82Å
272	N	96.4	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-75.1	-11.2	178.8	-70.4	100	0	0	0	113.4	P206 V207 E208 Q268 G269 E270 E274 Y275 K277 Y280 I329	P206-N272 WeakPolarHBondContact CA-OD1 3.37Å; V207-N272 PolarHBondContact N-OD1 3.48Å; E208-N272 PolarHBondContact OE2-ND2 3.13Å; Q268-N272 PolarHBondContact NE2-OD1 3.14Å; G269-N272 WeakPolarHBondContact O-CA 3.48Å; G269-N272 WeakPolarHBondContact O-CB 3.25Å; G269-N272 PolarHBondContact O-N 3.47Å; E270-N272 VanDerWaalsContact C-N 3.27Å; E270-N272 PolarHBondContact O-N 3.13Å; N272-E274 PolarHBondContact O-N 2.68Å; N272-Y275 VanDerWaalsContact CA-O 3.27Å; N272-Y275 WeakPolarHBondContact CA-O 3.28Å; N272-Y275 PolarHBondContact ND2-O 3.17Å; N272-Y275 PolarHBondContact O-N 2.89Å; N272-K277 VanDerWaalsContact O-CA 3.31Å; N272-K277 WeakPolarHBondContact O-CA 3.27Å; N272-K277 WeakPolarHBondContact O-CB 3.17Å; N272-Y280 HydrophobicContact CB-CD2 3.48Å; N272-Y280 VanDerWaalsContact CB-CD2 3.48Å; N272-Y280 HydrophobicContact CB-CE2 3.83Å; N272-Y280 HydrophobicContact CB-CG 4.46Å; N272-Y280 WeakPolarHBondContact OD1-CE2 3.37Å; N272-I329 HydrophobicContact CB-CD1 3.73Å
273	A	95.6	Very high	96.6	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.6	171.2	0	0	0	0	0	112	G269 E270 A271 F326 I329	G269-A273 PolarHBondContact O-N 3.28Å; E270-A273 VanDerWaalsContact O-CB 3.28Å; E270-A273 WeakPolarHBondContact O-CB 3.4Å; E270-A273 PolarHBondContact O-N 2.8Å; A271-A273 PolarHBondContact O-N 3.29Å; A273-F326 HydrophobicContact CB-CD2 3.85Å; A273-F326 HydrophobicContact CB-CE2 3.94Å; A273-I329 HydrophobicContact CB-CG1 4.2Å
274	E	91	Very high	96.6	Very high	149 Å²	149	29.5 Å²	29.5	70%	0.696	15%	0.146	S	C	*	.	S	Bend	trans	-117.5	-2.3	177.8	-58.3	-65.4	165.9	0	0	113	A271 N272	A271-E274 PolarHBondContact O-N 2.88Å; N272-E274 PolarHBondContact O-N 2.68Å
275	Y	90.5	Very high	96.5	Very high	58 Å²	58	29.7 Å²	29.7	23%	0.227	15%	0.147	C	C	.	.	S	Bend	trans	-133.1	112.4	-174.1	-172	-99.2	0	0	0	112.2	P206 E208 L243 A271 N272 K277	P206-Y275 HydrophobicContact CB-CD1 3.73Å; P206-Y275 HydrophobicContact CB-CE1 4.27Å; P206-Y275 HydrophobicContact CG-CD1 4.02Å; P206-Y275 HydrophobicContact CG-CE1 4.14Å; E208-Y275 HydrophobicContact CG-CE1 4.39Å; L243-Y275 HydrophobicContact CD2-CD2 4.04Å; L243-Y275 HydrophobicContact CD2-CE2 4.16Å; L243-Y275 HydrophobicContact CD2-CG 4.26Å; A271-Y275 WeakPolarHBondContact O-CB 3.35Å; A271-Y275 PolarHBondContact O-N 2.82Å; N272-Y275 VanDerWaalsContact CA-O 3.27Å; N272-Y275 WeakPolarHBondContact CA-O 3.28Å; N272-Y275 PolarHBondContact ND2-O 3.17Å; N272-Y275 PolarHBondContact O-N 2.89Å; Y275-K277 PolarHBondContact O-N 3.08Å; Y275-K277 VanDerWaalsContact O-N 3.09Å
276	H	93.3	Very high	96.5	Very high	72 Å²	72	30.4 Å²	30.4	33%	0.333	15%	0.151	S	C	.	.	S	Bend	trans	45.3	39.3	-176.3	-59.1	150.2	0	0	0	114	E208 L221 D278 K279 Y280	E208-H276 VanDerWaalsContact OE1-CB 3.32Å; E208-H276 WeakPolarHBondContact OE1-CB 3.49Å; E208-H276 IonicContact OE1-CG 2.63Å; E208-H276 IonicContact OE1-ND1 2.77Å; E208-H276 PolarHBondContact OE1-ND1 2.86Å; L221-H276 HydrophobicContact CD2-CB 4.33Å; L221-H276 WeakPolarHBondContact CD2-ND1 3.3Å; H276-D278 PolarHBondContact O-N 2.93Å; H276-D278 VanDerWaalsContact O-N 3.16Å; H276-K279 HydrophobicContact CB-CB 4.18Å; H276-K279 HydrophobicContact CB-CG 4.16Å; H276-K279 WeakPolarHBondContact O-CA 3.32Å; H276-K279 WeakPolarHBondContact O-CB 3.31Å; H276-K279 PolarHBondContact O-N 3.45Å; H276-Y280 PolarHBondContact O-N 2.79Å
277	K	94.6	Very high	96.5	Very high	55 Å²	55	30.3 Å²	30.3	24%	0.239	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-47.8	-45.6	-179.6	-175.7	174.9	66.7	160.1	0	112.5	N272 Y275 K279 Y280 D328 I329 H332	N272-K277 VanDerWaalsContact O-CA 3.31Å; N272-K277 WeakPolarHBondContact O-CA 3.27Å; N272-K277 WeakPolarHBondContact O-CB 3.17Å; Y275-K277 PolarHBondContact O-N 3.08Å; Y275-K277 VanDerWaalsContact O-N 3.09Å; K277-K279 PolarHBondContact O-N 2.95Å; K277-K279 VanDerWaalsContact O-N 3.16Å; K277-Y280 WeakPolarHBondContact O-CB 3.44Å; K277-Y280 PolarHBondContact O-N 3.25Å; K277-Y280 VanDerWaalsContact O-N 3.14Å; K277-D328 HydrophobicContact CD-CB 3.8Å; K277-D328 VanDerWaalsContact CE-OD2 3.22Å; K277-D328 WeakPolarHBondContact CE-OD2 3.24Å; K277-D328 HydrophobicContact CG-CB 4.13Å; K277-D328 IonicContact NZ-OD2 2.7Å; K277-D328 PolarHBondContact NZ-OD2 3.07Å; K277-I329 HydrophobicContact CG-CD1 3.95Å; K277-I329 HydrophobicContact CG-CG1 4.23Å; K277-H332 PolarHBondContact O-CD2 3.05Å
278	D	93.8	Very high	96.5	Very high	93 Å²	93	30.4 Å²	30.4	50%	0.497	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.1	-15.8	-179.8	71.6	-57.2	0	0	0	114.1	H276	H276-D278 PolarHBondContact O-N 2.93Å; H276-D278 VanDerWaalsContact O-N 3.16Å
279	K	96.1	Very high	96.5	Very high	77 Å²	77	34.2 Å²	34.2	34%	0.335	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-97	-11.8	177.9	-54.9	-55.6	-177.6	-141.2	0	113.4	L221 H276 K277 N281 C282 S283	L221-K279 HydrophobicContact CD1-CB 4.03Å; L221-K279 HydrophobicContact CD2-CB 4.3Å; L221-K279 HydrophobicContact CD2-CG 3.97Å; L221-K279 HydrophobicContact CG-CB 4.36Å; L221-K279 HydrophobicContact CG-CG 4.38Å; H276-K279 HydrophobicContact CB-CB 4.18Å; H276-K279 HydrophobicContact CB-CG 4.16Å; H276-K279 WeakPolarHBondContact O-CA 3.32Å; H276-K279 WeakPolarHBondContact O-CB 3.31Å; H276-K279 PolarHBondContact O-N 3.45Å; K277-K279 PolarHBondContact O-N 2.95Å; K277-K279 VanDerWaalsContact O-N 3.16Å; K279-N281 PolarHBondContact O-N 2.93Å; K279-C282 WeakPolarHBondContact O-CA 3.23Å; K279-C282 WeakPolarHBondContact O-CB 3.14Å; K279-C282 PolarHBondContact O-N 3.2Å; K279-S283 PolarHBondContact O-N 3.49Å; K279-S283 PolarHBondContact O-OG 3.03Å
280	Y	97.9	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-34.5	-174	-161	-88.7	0	0	0	112.6	V207 Q268 N272 H276 K277 C282 S283 F284 I329 H332 Q333	V207-Y280 HydrophobicContact CB-CD2 4.41Å; V207-Y280 HydrophobicContact CB-CE2 3.82Å; V207-Y280 HydrophobicContact CG1-CD2 3.81Å; V207-Y280 HydrophobicContact CG1-CE2 3.73Å; V207-Y280 HydrophobicContact CG2-CE2 4.46Å; Q268-Y280 PolarHBondContact O-OH 3.4Å; Q268-Y280 PolarHBondContact OE1-OH 2.75Å; N272-Y280 HydrophobicContact CB-CD2 3.48Å; N272-Y280 VanDerWaalsContact CB-CD2 3.48Å; N272-Y280 HydrophobicContact CB-CE2 3.83Å; N272-Y280 HydrophobicContact CB-CG 4.46Å; N272-Y280 WeakPolarHBondContact OD1-CE2 3.37Å; H276-Y280 PolarHBondContact O-N 2.79Å; K277-Y280 WeakPolarHBondContact O-CB 3.44Å; K277-Y280 PolarHBondContact O-N 3.25Å; K277-Y280 VanDerWaalsContact O-N 3.14Å; Y280-C282 PolarHBondContact O-N 2.9Å; Y280-C282 VanDerWaalsContact O-N 3.09Å; Y280-S283 WeakPolarHBondContact CA-OG 3.44Å; Y280-S283 PolarHBondContact O-N 2.84Å; Y280-F284 HydrophobicContact CD1-CB 3.88Å; Y280-F284 HydrophobicContact CE1-CB 3.46Å; Y280-F284 VanDerWaalsContact CE1-CB 3.46Å; Y280-F284 AromaticContact CE1-CD1 3.78Å; Y280-F284 HydrophobicContact CE1-CD1 3.78Å; Y280-F284 AromaticContact CE1-CG 3.71Å; Y280-F284 HydrophobicContact CE1-CG 3.71Å; Y280-F284 HydrophobicContact CE2-CB 4.35Å; Y280-F284 HydrophobicContact CG-CB 4.47Å; Y280-F284 AromaticContact CZ-CG 3.93Å; Y280-F284 WeakPolarHBondContact O-CB 3.41Å; Y280-F284 PolarHBondContact O-N 2.93Å; Y280-F284 VanDerWaalsContact O-N 3.11Å; Y280-I329 HydrophobicContact CD1-CD1 4.31Å; Y280-I329 HydrophobicContact CD1-CG2 4.5Å; Y280-I329 HydrophobicContact CD2-CD1 4.01Å; Y280-I329 HydrophobicContact CE1-CG2 4.4Å; Y280-I329 HydrophobicContact CG-CD1 3.76Å; Y280-H332 HydrophobicContact CD1-CB 3.83Å; Y280-H332 HydrophobicContact CG-CB 4.35Å; Y280-Q333 HydrophobicContact CD1-CG 4.39Å; Y280-Q333 HydrophobicContact CE1-CB 4.42Å; Y280-Q333 HydrophobicContact CE1-CG 3.56Å
281	N	97.1	Very high	96.6	Very high	39 Å²	39	34 Å²	34	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-14	176.2	74.3	-12.2	0	0	0	113.9	K279 H332 D336 R344	K279-N281 PolarHBondContact O-N 2.93Å; N281-H332 HydrophobicContact CB-CB 4.02Å; N281-D336 WeakPolarHBondContact CB-OD2 3.38Å; N281-D336 PolarHBondContact ND2-OD2 2.89Å; N281-R344 PolarHBondContact O-NH1 2.74Å; N281-R344 PolarHBondContact O-NH2 3.42Å
282	C	98.1	Very high	96.7	Very high	30 Å²	30	33.3 Å²	33.3	20%	0.203	16%	0.163	C	C	.	.	H	α-helix	trans	-104.8	-52.3	173	-177	0	0	0	0	110.6	C219 K279 Y280 F284 P285 T286	C219-C282 WeakPolarHBondContact CA-SG 3.27Å; C219-C282 HydrophobicContact CB-CB 3.76Å; C219-C282 WeakPolarHBondContact CB-SG 3.28Å; C219-C282 WeakPolarHBondContact SG-CB 3.49Å; C219-C282 PolarHBondContact SG-O 3.5Å; C219-C282 VanDerWaalsContact SG-O 3.38Å; C219-C282 CovalentContact SG-SG 2.04Å; C219-C282 PolarHBondContact SG-SG 2.89Å; K279-C282 WeakPolarHBondContact O-CA 3.23Å; K279-C282 WeakPolarHBondContact O-CB 3.14Å; K279-C282 PolarHBondContact O-N 3.2Å; Y280-C282 PolarHBondContact O-N 2.9Å; Y280-C282 VanDerWaalsContact O-N 3.09Å; C282-F284 PolarHBondContact O-N 2.9Å; C282-P285 WeakPolarHBondContact O-CD 3.38Å; C282-T286 VanDerWaalsContact O-CB 3.23Å; C282-T286 WeakPolarHBondContact O-CB 3.47Å; C282-T286 PolarHBondContact O-N 3.01Å; C282-T286 PolarHBondContact O-OG1 2.81Å
283	S	97.8	Very high	96.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-40.8	-170	56.9	0	0	0	0	112.1	V207 C219 K279 Y280 T286 M287	V207-S283 VanDerWaalsContact CG1-OG 3.27Å; V207-S283 WeakPolarHBondContact CG1-OG 3.27Å; C219-S283 PolarHBondContact SG-N 2.82Å; C219-S283 VanDerWaalsContact SG-N 3.38Å; K279-S283 PolarHBondContact O-N 3.49Å; K279-S283 PolarHBondContact O-OG 3.03Å; Y280-S283 WeakPolarHBondContact CA-OG 3.44Å; Y280-S283 PolarHBondContact O-N 2.84Å; S283-T286 PolarHBondContact O-N 2.7Å; S283-M287 WeakPolarHBondContact O-CB 3.43Å; S283-M287 PolarHBondContact O-N 3.41Å
284	F	98.8	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-51.1	-179.2	178.4	-127.2	0	0	0	113.7	V207 W266 Y280 C282 T286 M287 I288 F309 F311 Q333 M345	V207-F284 HydrophobicContact CG2-CB 4.37Å; V207-F284 HydrophobicContact CG2-CD2 4.25Å; W266-F284 AromaticContact CD1-CE2 3.35Å; W266-F284 AromaticContact CD1-CZ 3.7Å; W266-F284 HydrophobicContact CG-CE2 4.09Å; W266-F284 AromaticContact NE1-CE2 3.48Å; Y280-F284 HydrophobicContact CD1-CB 3.88Å; Y280-F284 HydrophobicContact CE1-CB 3.46Å; Y280-F284 VanDerWaalsContact CE1-CB 3.46Å; Y280-F284 AromaticContact CE1-CD1 3.78Å; Y280-F284 HydrophobicContact CE1-CD1 3.78Å; Y280-F284 AromaticContact CE1-CG 3.71Å; Y280-F284 HydrophobicContact CE1-CG 3.71Å; Y280-F284 HydrophobicContact CE2-CB 4.35Å; Y280-F284 HydrophobicContact CG-CB 4.47Å; Y280-F284 AromaticContact CZ-CG 3.93Å; Y280-F284 WeakPolarHBondContact O-CB 3.41Å; Y280-F284 PolarHBondContact O-N 2.93Å; Y280-F284 VanDerWaalsContact O-N 3.11Å; C282-F284 PolarHBondContact O-N 2.9Å; F284-T286 PolarHBondContact O-N 3.4Å; F284-M287 HydrophobicContact CD2-CE 3.84Å; F284-M287 HydrophobicContact CE2-CE 3.9Å; F284-M287 PolarHBondContact O-N 2.85Å; F284-I288 HydrophobicContact CD1-CD1 4.42Å; F284-I288 HydrophobicContact CD2-CD1 4.23Å; F284-I288 HydrophobicContact CD2-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 4.05Å; F284-I288 HydrophobicContact CE2-CD1 3.8Å; F284-I288 HydrophobicContact CE2-CG1 4.14Å; F284-I288 HydrophobicContact CZ-CD1 3.72Å; F284-I288 WeakPolarHBondContact O-CG1 3.35Å; F284-I288 PolarHBondContact O-N 3.45Å; F284-I288 VanDerWaalsContact O-N 3.13Å; F284-F309 HydrophobicContact CE2-CE1 4.3Å; F284-F309 HydrophobicContact CZ-CE1 4.41Å; F284-F311 HydrophobicContact CE1-CD1 4.12Å; F284-F311 HydrophobicContact CE1-CD2 4.14Å; F284-F311 HydrophobicContact CE1-CE1 4.32Å; F284-F311 HydrophobicContact CE1-CE2 4.35Å; F284-F311 HydrophobicContact CE1-CG 4.02Å; F284-F311 HydrophobicContact CE1-CZ 4.43Å; F284-F311 HydrophobicContact CZ-CB 3.92Å; F284-F311 HydrophobicContact CZ-CD1 4.05Å; F284-F311 HydrophobicContact CZ-CD2 4.33Å; F284-F311 AromaticContact CZ-CG 3.85Å; F284-F311 HydrophobicContact CZ-CG 3.85Å; F284-Q333 HydrophobicContact CE1-CB 4.5Å; F284-Q333 WeakPolarHBondContact CE1-O 3.5Å; F284-M345 HydrophobicContact CD1-CE 3.92Å; F284-M345 HydrophobicContact CE1-CE 3.67Å; F284-M345 HydrophobicContact CZ-CE 4.44Å
285	P	98.6	Very high	97.3	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-35.4	172.7	-26.3	35.8	0	0	0	113.3	C282 I288 N289 A335 M345	C282-P285 WeakPolarHBondContact O-CD 3.38Å; P285-I288 PolarHBondContact O-N 3.02Å; P285-N289 PolarHBondContact O-N 2.86Å; P285-N289 VanDerWaalsContact O-N 3.14Å; P285-N289 PolarHBondContact O-ND2 2.67Å; P285-A335 HydrophobicContact CG-CB 3.73Å; P285-M345 HydrophobicContact CB-CG 4.18Å; P285-M345 HydrophobicContact CG-CE 4.47Å; P285-M345 HydrophobicContact CG-CG 4.21Å; P285-M345 HydrophobicContact CG-SD 4.15Å
286	T	98.4	Very high	97.7	Very high	15 Å²	15	29.9 Å²	29.9	9%	0.092	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-41.7	179	-55.5	0	0	0	0	111.5	A215 Q218 C282 S283 F284 I288 N289 D290	A215-T286 HydrophobicContact CB-CG2 3.93Å; A215-T286 WeakPolarHBondContact O-CG2 3.23Å; Q218-T286 HydrophobicContact CB-CG2 4.09Å; Q218-T286 HydrophobicContact CG-CG2 4.46Å; C282-T286 VanDerWaalsContact O-CB 3.23Å; C282-T286 WeakPolarHBondContact O-CB 3.47Å; C282-T286 PolarHBondContact O-N 3.01Å; C282-T286 PolarHBondContact O-OG1 2.81Å; S283-T286 PolarHBondContact O-N 2.7Å; F284-T286 PolarHBondContact O-N 3.4Å; T286-I288 VanDerWaalsContact C-N 3.31Å; T286-I288 PolarHBondContact O-N 2.67Å; T286-N289 PolarHBondContact O-N 3.45Å; T286-D290 WeakPolarHBondContact O-CB 3.34Å; T286-D290 PolarHBondContact O-N 3.27Å
287	M	98.6	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.2	-45.8	173.1	-175.1	-168.1	76.2	0	0	111.2	V207 W210 S211 W266 S283 F284 N289 D290 W291 F309	V207-M287 HydrophobicContact CG2-CB 4.37Å; V207-M287 HydrophobicContact CG2-CE 4.12Å; V207-M287 HydrophobicContact CG2-SD 3.48Å; V207-M287 WeakPolarHBondContact CG2-SD 3.05Å; W210-M287 HydrophobicContact CB-SD 3.82Å; S211-M287 WeakPolarHBondContact OG-CG 3.3Å; W266-M287 HydrophobicContact CD2-CE 4.12Å; W266-M287 HydrophobicContact CE3-CE 4.39Å; W266-M287 HydrophobicContact CH2-CE 4.27Å; W266-M287 HydrophobicContact CH2-SD 4.41Å; W266-M287 HydrophobicContact CZ2-CE 3.93Å; W266-M287 HydrophobicContact CZ2-SD 4.27Å; W266-M287 HydrophobicContact CZ3-CE 4.47Å; S283-M287 WeakPolarHBondContact O-CB 3.43Å; S283-M287 PolarHBondContact O-N 3.41Å; F284-M287 HydrophobicContact CD2-CE 3.84Å; F284-M287 HydrophobicContact CE2-CE 3.9Å; F284-M287 PolarHBondContact O-N 2.85Å; M287-N289 PolarHBondContact O-N 2.67Å; M287-D290 PolarHBondContact O-N 2.78Å; M287-W291 WeakPolarHBondContact O-CB 3.45Å; M287-W291 PolarHBondContact O-N 3.12Å; M287-W291 HydrophobicContact SD-CZ2 4.26Å; M287-F309 HydrophobicContact CE-CZ 4.33Å
288	I	98.9	Very high	98.1	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-48.4	178.2	-68.1	164.2	0	0	0	111.4	F284 P285 T286 D290 W291 R292 F309 M345	F284-I288 HydrophobicContact CD1-CD1 4.42Å; F284-I288 HydrophobicContact CD2-CD1 4.23Å; F284-I288 HydrophobicContact CD2-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 4.05Å; F284-I288 HydrophobicContact CE2-CD1 3.8Å; F284-I288 HydrophobicContact CE2-CG1 4.14Å; F284-I288 HydrophobicContact CZ-CD1 3.72Å; F284-I288 WeakPolarHBondContact O-CG1 3.35Å; F284-I288 PolarHBondContact O-N 3.45Å; F284-I288 VanDerWaalsContact O-N 3.13Å; P285-I288 PolarHBondContact O-N 3.02Å; T286-I288 VanDerWaalsContact C-N 3.31Å; T286-I288 PolarHBondContact O-N 2.67Å; I288-D290 VanDerWaalsContact C-N 3.27Å; I288-D290 PolarHBondContact O-N 2.81Å; I288-W291 PolarHBondContact O-N 3.46Å; I288-R292 WeakPolarHBondContact O-CB 3.28Å; I288-R292 WeakPolarHBondContact O-CG 3.28Å; I288-R292 PolarHBondContact O-N 3.49Å; I288-F309 HydrophobicContact CD1-CD1 3.91Å; I288-F309 HydrophobicContact CD1-CE1 4.04Å; I288-F309 HydrophobicContact CD1-CG 4.4Å; I288-F309 HydrophobicContact CG1-CD1 3.85Å; I288-F309 HydrophobicContact CG1-CD2 4.14Å; I288-F309 HydrophobicContact CG1-CE1 3.75Å; I288-F309 HydrophobicContact CG1-CE2 4.07Å; I288-F309 HydrophobicContact CG1-CG 4.05Å; I288-F309 HydrophobicContact CG1-CZ 3.89Å; I288-F309 HydrophobicContact CG2-CB 4.07Å; I288-F309 HydrophobicContact CG2-CD2 3.98Å; I288-F309 HydrophobicContact CG2-CG 3.95Å; I288-M345 HydrophobicContact CD1-CE 3.43Å; I288-M345 VanDerWaalsContact CD1-CE 3.43Å
289	N	98.7	Very high	98.3	Very high	81 Å²	81	26.6 Å²	26.6	43%	0.433	14%	0.138	S	C	.	.	H	α-helix	trans	-64.2	-36.8	179.5	-69.8	-31.3	0	0	0	111.8	P285 T286 M287 R292 M293	P285-N289 PolarHBondContact O-N 2.86Å; P285-N289 VanDerWaalsContact O-N 3.14Å; P285-N289 PolarHBondContact O-ND2 2.67Å; T286-N289 PolarHBondContact O-N 3.45Å; M287-N289 PolarHBondContact O-N 2.67Å; N289-R292 WeakPolarHBondContact O-CB 3.41Å; N289-M293 PolarHBondContact O-N 2.92Å
290	D	98.7	Very high	98.4	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-42.7	179	-172.7	66.3	0	0	0	112.8	S212 R214 A215 T286 M287 I288 M293 A294	S212-D290 WeakPolarHBondContact CB-OD2 3.43Å; S212-D290 PolarHBondContact OG-OD1 3.17Å; S212-D290 PolarHBondContact OG-OD2 3.35Å; R214-D290 VanDerWaalsContact CD-OD1 3.28Å; R214-D290 WeakPolarHBondContact CD-OD1 3.41Å; R214-D290 WeakPolarHBondContact CG-OD1 3.41Å; R214-D290 IonicContact CZ-OD1 3.63Å; R214-D290 IonicContact CZ-OD2 2.66Å; R214-D290 VanDerWaalsContact CZ-OD2 3.29Å; R214-D290 VanDerWaalsContact NE-CG 3.34Å; R214-D290 IonicContact NE-OD1 2.8Å; R214-D290 PolarHBondContact NE-OD1 3.36Å; R214-D290 IonicContact NE-OD2 3.62Å; R214-D290 PolarHBondContact NE-OD2 2.82Å; R214-D290 IonicContact NH2-OD1 2.71Å; R214-D290 PolarHBondContact NH2-OD1 2.93Å; R214-D290 IonicContact NH2-OD2 3.87Å; R214-D290 PolarHBondContact NH2-OD2 3.04Å; A215-D290 HydrophobicContact CB-CB 3.81Å; T286-D290 WeakPolarHBondContact O-CB 3.34Å; T286-D290 PolarHBondContact O-N 3.27Å; M287-D290 PolarHBondContact O-N 2.78Å; I288-D290 VanDerWaalsContact C-N 3.27Å; I288-D290 PolarHBondContact O-N 2.81Å; D290-M293 PolarHBondContact O-N 3.19Å; D290-M293 VanDerWaalsContact OD1-CE 3.25Å; D290-M293 WeakPolarHBondContact OD1-CE 3.28Å; D290-A294 VanDerWaalsContact O-CB 3.27Å; D290-A294 WeakPolarHBondContact O-CB 3.46Å; D290-A294 PolarHBondContact O-N 3.43Å
291	W	98.8	Very high	98.4	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-46.6	172.8	-77.8	32.3	0	0	0	110.9	L111 W210 W249 I253 W266 M287 I288 M293 A294 F295 F307 F309	L111-W291 HydrophobicContact CD2-CE3 4.15Å; L111-W291 HydrophobicContact CD2-CH2 4.4Å; L111-W291 HydrophobicContact CD2-CZ3 3.61Å; L111-W291 HydrophobicContact CG-CZ3 4.49Å; W210-W291 HydrophobicContact CB-CZ2 4.36Å; W210-W291 PolarHBondContact O-NE1 2.99Å; W249-W291 AromaticContact CE3-CD1 3.75Å; W249-W291 AromaticContact CE3-NE1 3.37Å; W249-W291 AromaticContact CZ3-CD1 3.29Å; W249-W291 HydrophobicContact CZ3-CD2 4.38Å; W249-W291 AromaticContact CZ3-CG 3.93Å; W249-W291 HydrophobicContact CZ3-CG 3.93Å; W249-W291 AromaticContact CZ3-NE1 3.39Å; I253-W291 HydrophobicContact CB-CZ2 4.37Å; I253-W291 HydrophobicContact CD1-CH2 3.31Å; I253-W291 HydrophobicContact CD1-CZ2 3.64Å; I253-W291 HydrophobicContact CD1-CZ3 4.04Å; I253-W291 HydrophobicContact CG1-CH2 3.86Å; I253-W291 HydrophobicContact CG1-CZ2 3.59Å; I253-W291 HydrophobicContact CG2-CD2 4.18Å; I253-W291 HydrophobicContact CG2-CE3 4.46Å; I253-W291 HydrophobicContact CG2-CH2 4.3Å; I253-W291 HydrophobicContact CG2-CZ2 3.99Å; W266-W291 HydrophobicContact CE3-CH2 4.05Å; W266-W291 AromaticContact CZ3-CH2 3.65Å; W266-W291 HydrophobicContact CZ3-CH2 3.65Å; W266-W291 HydrophobicContact CZ3-CZ2 4.12Å; M287-W291 WeakPolarHBondContact O-CB 3.45Å; M287-W291 PolarHBondContact O-N 3.12Å; M287-W291 HydrophobicContact SD-CZ2 4.26Å; I288-W291 PolarHBondContact O-N 3.46Å; W291-M293 VanDerWaalsContact C-N 3.35Å; W291-M293 PolarHBondContact O-N 3.16Å; W291-A294 PolarHBondContact O-N 3.24Å; W291-F295 HydrophobicContact CB-CD2 4.41Å; W291-F295 HydrophobicContact CE3-CE2 4.34Å; W291-F295 WeakPolarHBondContact O-CB 3.41Å; W291-F295 WeakPolarHBondContact O-CD2 3.26Å; W291-F295 PolarHBondContact O-N 3.11Å; W291-F307 HydrophobicContact CB-CZ 4.46Å; W291-F309 AromaticContact CE3-CE2 3.91Å; W291-F309 HydrophobicContact CE3-CE2 3.91Å; W291-F309 HydrophobicContact CZ3-CE2 4.3Å
292	R	98.8	Very high	98.5	Very high	11 Å²	11	27.2 Å²	27.2	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-53.4	-50	174.9	-82.2	170.8	173.2	164.5	-2.3	112.9	I288 N289 H296 P305 F307 K346 N347	I288-R292 WeakPolarHBondContact O-CB 3.28Å; I288-R292 WeakPolarHBondContact O-CG 3.28Å; I288-R292 PolarHBondContact O-N 3.49Å; N289-R292 WeakPolarHBondContact O-CB 3.41Å; R292-H296 VanDerWaalsContact O-CB 3.23Å; R292-H296 WeakPolarHBondContact O-CB 3.43Å; R292-H296 PolarHBondContact O-N 3.34Å; R292-H296 VanDerWaalsContact O-N 3.08Å; R292-P305 WeakPolarHBondContact CB-O 3.41Å; R292-F307 VanDerWaalsContact CA-CE1 3.48Å; R292-F307 HydrophobicContact CB-CD1 4.39Å; R292-F307 HydrophobicContact CB-CE1 4.19Å; R292-F307 HydrophobicContact CG-CD1 3.75Å; R292-F307 HydrophobicContact CG-CE1 3.68Å; R292-F307 HydrophobicContact CG-CE2 4.44Å; R292-F307 HydrophobicContact CG-CG 4.2Å; R292-F307 HydrophobicContact CG-CZ 4.02Å; R292-F307 PolarHBondContact NE-O 3.09Å; R292-F307 PolarHBondContact NH2-O 3.01Å; R292-K346 VanDerWaalsContact CZ-O 3.29Å; R292-K346 PolarHBondContact NH1-O 3.17Å; R292-K346 PolarHBondContact NH2-O 2.85Å; R292-N347 PolarHBondContact NH2-O 2.95Å
293	M	98.8	Very high	98.5	Very high	72 Å²	72	25.8 Å²	25.8	36%	0.355	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-49.9	175.8	175.9	-167.9	67.6	0	0	111.5	R214 N289 D290 W291 H296 Q297	R214-M293 VanDerWaalsContact NE-CE 3.26Å; N289-M293 PolarHBondContact O-N 2.92Å; D290-M293 PolarHBondContact O-N 3.19Å; D290-M293 VanDerWaalsContact OD1-CE 3.25Å; D290-M293 WeakPolarHBondContact OD1-CE 3.28Å; W291-M293 VanDerWaalsContact C-N 3.35Å; W291-M293 PolarHBondContact O-N 3.16Å; M293-H296 PolarHBondContact O-N 3.49Å; M293-Q297 WeakPolarHBondContact O-CB 3.42Å; M293-Q297 VanDerWaalsContact O-CG 3.31Å; M293-Q297 WeakPolarHBondContact O-CG 3.36Å; M293-Q297 PolarHBondContact O-N 3.11Å
294	A	98.8	Very high	98.5	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-44.3	-173.8	0	0	0	0	0	112.7	W249 L257 D290 W291 Q297 G298	W249-A294 HydrophobicContact CH2-CB 3.63Å; W249-A294 HydrophobicContact CZ2-CB 4.15Å; L257-A294 HydrophobicContact CD1-CB 3.96Å; L257-A294 HydrophobicContact CD2-CB 3.75Å; L257-A294 HydrophobicContact CG-CB 4.49Å; D290-A294 VanDerWaalsContact O-CB 3.27Å; D290-A294 WeakPolarHBondContact O-CB 3.46Å; D290-A294 PolarHBondContact O-N 3.43Å; W291-A294 PolarHBondContact O-N 3.24Å; A294-Q297 PolarHBondContact O-N 2.8Å; A294-G298 PolarHBondContact O-N 2.81Å
295	F	98.8	Very high	98.5	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-38.4	175.8	-87	-82.3	0	0	0	111.5	L111 I253 F256 L257 I261 W291 Q297 S299 T303 F307	L111-F295 HydrophobicContact CD2-CE2 4.04Å; L111-F295 HydrophobicContact CD2-CZ 3.73Å; I253-F295 HydrophobicContact CG2-CE2 3.98Å; I253-F295 HydrophobicContact CG2-CZ 4.28Å; F256-F295 HydrophobicContact CB-CE1 3.99Å; F256-F295 HydrophobicContact CB-CZ 4.1Å; F256-F295 VanDerWaalsContact O-CE1 3.31Å; F256-F295 WeakPolarHBondContact O-CE1 3.23Å; L257-F295 HydrophobicContact CD2-CB 4.47Å; L257-F295 HydrophobicContact CD2-CD1 4.1Å; L257-F295 HydrophobicContact CD2-CD2 3.67Å; L257-F295 HydrophobicContact CD2-CE1 4.23Å; L257-F295 HydrophobicContact CD2-CE2 3.81Å; L257-F295 HydrophobicContact CD2-CG 3.82Å; L257-F295 HydrophobicContact CD2-CZ 4.08Å; I261-F295 HydrophobicContact CD1-CD1 3.82Å; I261-F295 HydrophobicContact CD1-CD2 4.23Å; I261-F295 HydrophobicContact CD1-CE1 3.9Å; I261-F295 HydrophobicContact CD1-CE2 4.32Å; I261-F295 HydrophobicContact CD1-CG 4Å; I261-F295 HydrophobicContact CD1-CZ 4.17Å; I261-F295 HydrophobicContact CG1-CD1 4.06Å; I261-F295 HydrophobicContact CG1-CE1 4.41Å; I261-F295 HydrophobicContact CG1-CG 4.45Å; I261-F295 HydrophobicContact CG2-CE1 4.34Å; W291-F295 HydrophobicContact CB-CD2 4.41Å; W291-F295 HydrophobicContact CE3-CE2 4.34Å; W291-F295 WeakPolarHBondContact O-CB 3.41Å; W291-F295 WeakPolarHBondContact O-CD2 3.26Å; W291-F295 PolarHBondContact O-N 3.11Å; F295-Q297 VanDerWaalsContact C-N 3.34Å; F295-S299 VanDerWaalsContact O-CB 3.28Å; F295-S299 WeakPolarHBondContact O-CB 3.46Å; F295-S299 PolarHBondContact O-N 2.79Å; F295-S299 VanDerWaalsContact O-N 3.08Å; F295-S299 PolarHBondContact O-OG 3.38Å; F295-T303 HydrophobicContact CB-CG2 3.92Å; F295-F307 HydrophobicContact CB-CE1 4.05Å; F295-F307 HydrophobicContact CD2-CE1 4.23Å; F295-F307 HydrophobicContact CD2-CZ 4.39Å; F295-F307 HydrophobicContact CG-CE1 4.37Å
296	H	98.8	Very high	98.4	Very high	62 Å²	62	35 Å²	35	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-44.5	174.2	-177.7	70.1	0	0	0	111.1	R292 M293 S299 G301 T303 P305	R292-H296 VanDerWaalsContact O-CB 3.23Å; R292-H296 WeakPolarHBondContact O-CB 3.43Å; R292-H296 PolarHBondContact O-N 3.34Å; R292-H296 VanDerWaalsContact O-N 3.08Å; M293-H296 PolarHBondContact O-N 3.49Å; H296-S299 PolarHBondContact O-OG 2.9Å; H296-G301 VanDerWaalsContact CE1-CA 3.42Å; H296-G301 WeakPolarHBondContact CE1-CA 3.21Å; H296-G301 PolarHBondContact CE1-O 3.4Å; H296-G301 WeakPolarHBondContact O-CA 3.28Å; H296-G301 PolarHBondContact O-N 3.05Å; H296-T303 PolarHBondContact ND1-O 3.1Å; H296-P305 HydrophobicContact CB-CB 4.44Å
297	Q	98.6	Very high	98.4	Very high	130 Å²	130	34.3 Å²	34.3	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-68.8	-49.7	179.2	-72.4	172.5	-0.3	0	0	112.7	M293 A294 F295 S299 G300	M293-Q297 WeakPolarHBondContact O-CB 3.42Å; M293-Q297 VanDerWaalsContact O-CG 3.31Å; M293-Q297 WeakPolarHBondContact O-CG 3.36Å; M293-Q297 PolarHBondContact O-N 3.11Å; A294-Q297 PolarHBondContact O-N 2.8Å; F295-Q297 VanDerWaalsContact C-N 3.34Å; Q297-S299 VanDerWaalsContact C-N 3.35Å; Q297-S299 PolarHBondContact O-N 3.3Å; Q297-G300 PolarHBondContact O-N 2.92Å
298	G	97.8	Very high	98.5	Very high	20 Å²	20	34.7 Å²	34.7	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-41.1	-178.2	0	0	0	0	0	112.6	L257 N258 A294 G300	L257-G298 CarbonylContact O-C 3.56Å; L257-G298 WeakPolarHBondContact O-CA 3.47Å; N258-G298 PolarHBondContact OD1-O 2.84Å; A294-G298 PolarHBondContact O-N 2.81Å; G298-G300 PolarHBondContact O-N 3.29Å
299	S	98.2	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	13.6	175.5	66.6	0	0	0	0	113.8	V41 L257 F295 H296 Q297 G301 Q302 T303	V41-S299 WeakPolarHBondContact CG2-O 3.41Å; L257-S299 PolarHBondContact O-N 2.9Å; F295-S299 VanDerWaalsContact O-CB 3.28Å; F295-S299 WeakPolarHBondContact O-CB 3.46Å; F295-S299 PolarHBondContact O-N 2.79Å; F295-S299 VanDerWaalsContact O-N 3.08Å; F295-S299 PolarHBondContact O-OG 3.38Å; H296-S299 PolarHBondContact O-OG 2.9Å; Q297-S299 VanDerWaalsContact C-N 3.35Å; Q297-S299 PolarHBondContact O-N 3.3Å; S299-G301 PolarHBondContact O-N 3.42Å; S299-Q302 WeakPolarHBondContact O-CB 3.46Å; S299-Q302 VanDerWaalsContact O-CG 3.24Å; S299-Q302 WeakPolarHBondContact O-CG 3.28Å; S299-Q302 PolarHBondContact O-N 3.27Å; S299-Q302 VanDerWaalsContact O-N 3.14Å; S299-Q302 PolarHBondContact OG-N 2.82Å; S299-T303 WeakPolarHBondContact OG-CB 3.33Å; S299-T303 PolarHBondContact OG-N 3.21Å; S299-T303 PolarHBondContact OG-OG1 2.85Å
300	G	97.4	Very high	98.5	Very high	49 Å²	49	30.8 Å²	30.8	51%	0.505	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	34.2	-179.8	0	0	0	0	0	113.3	Q297 G298 Q302	Q297-G300 PolarHBondContact O-N 2.92Å; G298-G300 PolarHBondContact O-N 3.29Å; G300-Q302 PolarHBondContact O-NE2 2.55Å
301	G	98.3	Very high	98.5	Very high	32 Å²	32	30.5 Å²	30.5	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	5.6	-179.4	0	0	0	0	0	115.5	H296 S299	H296-G301 VanDerWaalsContact CE1-CA 3.42Å; H296-G301 WeakPolarHBondContact CE1-CA 3.21Å; H296-G301 PolarHBondContact CE1-O 3.4Å; H296-G301 WeakPolarHBondContact O-CA 3.28Å; H296-G301 PolarHBondContact O-N 3.05Å; S299-G301 PolarHBondContact O-N 3.42Å
302	Q	98.4	Very high	98.5	Very high	48 Å²	48	30.4 Å²	30.4	22%	0.224	19%	0.186	C	C	.	.			trans	-82.8	-34.5	-174.1	-59.8	-41.9	-61.5	0	0	114.1	Q38 K39 V41 T78 T260 S299 G300	Q38-Q302 VanDerWaalsContact CG-O 3.31Å; Q38-Q302 WeakPolarHBondContact CG-O 3.2Å; K39-Q302 HydrophobicContact CB-CG 4.05Å; K39-Q302 VanDerWaalsContact CB-OE1 3.27Å; K39-Q302 VanDerWaalsContact O-CB 3.3Å; K39-Q302 WeakPolarHBondContact O-CB 3.41Å; V41-Q302 HydrophobicContact CG2-CB 4.21Å; V41-Q302 HydrophobicContact CG2-CG 3.77Å; T78-Q302 HydrophobicContact CG2-CG 3.99Å; T260-Q302 HydrophobicContact CG2-CB 3.8Å; S299-Q302 WeakPolarHBondContact O-CB 3.46Å; S299-Q302 VanDerWaalsContact O-CG 3.24Å; S299-Q302 WeakPolarHBondContact O-CG 3.28Å; S299-Q302 PolarHBondContact O-N 3.27Å; S299-Q302 VanDerWaalsContact O-N 3.14Å; S299-Q302 PolarHBondContact OG-N 2.82Å; G300-Q302 PolarHBondContact O-NE2 2.55Å
303	T	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-69.7	134.1	167.8	-64.9	0	0	0	0	108.5	M259 T260 I261 F295 H296 S299 F307	M259-T303 PolarHBondContact O-OG1 3.02Å; T260-T303 WeakPolarHBondContact CA-OG1 3.32Å; I261-T303 HydrophobicContact CG1-CG2 3.73Å; I261-T303 PolarHBondContact N-OG1 3.09Å; I261-T303 VanDerWaalsContact N-OG1 3.12Å; F295-T303 HydrophobicContact CB-CG2 3.92Å; H296-T303 PolarHBondContact ND1-O 3.1Å; S299-T303 WeakPolarHBondContact OG-CB 3.33Å; S299-T303 PolarHBondContact OG-N 3.21Å; S299-T303 PolarHBondContact OG-OG1 2.85Å; T303-F307 HydrophobicContact CG2-CB 4.34Å; T303-F307 HydrophobicContact CG2-CD1 3.58Å; T303-F307 HydrophobicContact CG2-CE1 4.23Å; T303-F307 HydrophobicContact CG2-CG 4.27Å
304	A	98.4	Very high	98.5	Very high	29 Å²	29	26.5 Å²	26.5	24%	0.24	17%	0.167	C	C	.	.			trans	-59.6	133.5	-179.9	0	0	0	0	0	111.1	D306 F307	A304-D306 PolarHBondContact O-N 2.92Å; A304-D306 VanDerWaalsContact O-N 3.1Å; A304-F307 HydrophobicContact CB-CB 4.23Å; A304-F307 WeakPolarHBondContact O-CB 3.39Å; A304-F307 PolarHBondContact O-N 2.74Å; A304-F307 VanDerWaalsContact O-N 3.1Å
305	P	98	Very high	98.4	Very high	78 Å²	78	26.4 Å²	26.4	51%	0.506	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.3	-176.3	27.8	-36	0	0	0	113.3	R292 H296	R292-P305 WeakPolarHBondContact CB-O 3.41Å; H296-P305 HydrophobicContact CB-CB 4.44Å
306	D	97.2	Very high	98.4	Very high	93 Å²	93	26.4 Å²	26.4	50%	0.497	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	31.2	177.1	67.1	-27.5	0	0	0	111.8	A304 N347	A304-D306 PolarHBondContact O-N 2.92Å; A304-D306 VanDerWaalsContact O-N 3.1Å; D306-N347 PolarHBondContact O-ND2 2.99Å
307	F	98.7	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	17%	0.168	C	C	.	.			trans	-47.8	144.9	-174.4	73.7	-109.2	0	0	0	113.3	I261 A264 W291 R292 F295 T303 A304 F309	I261-F307 HydrophobicContact CD1-CE1 4.17Å; I261-F307 HydrophobicContact CD1-CE2 4.25Å; I261-F307 HydrophobicContact CD1-CZ 4.02Å; A264-F307 HydrophobicContact CB-CE2 3.94Å; W291-F307 HydrophobicContact CB-CZ 4.46Å; R292-F307 VanDerWaalsContact CA-CE1 3.48Å; R292-F307 HydrophobicContact CB-CD1 4.39Å; R292-F307 HydrophobicContact CB-CE1 4.19Å; R292-F307 HydrophobicContact CG-CD1 3.75Å; R292-F307 HydrophobicContact CG-CE1 3.68Å; R292-F307 HydrophobicContact CG-CE2 4.44Å; R292-F307 HydrophobicContact CG-CG 4.2Å; R292-F307 HydrophobicContact CG-CZ 4.02Å; R292-F307 PolarHBondContact NE-O 3.09Å; R292-F307 PolarHBondContact NH2-O 3.01Å; F295-F307 HydrophobicContact CB-CE1 4.05Å; F295-F307 HydrophobicContact CD2-CE1 4.23Å; F295-F307 HydrophobicContact CD2-CZ 4.39Å; F295-F307 HydrophobicContact CG-CE1 4.37Å; T303-F307 HydrophobicContact CG2-CB 4.34Å; T303-F307 HydrophobicContact CG2-CD1 3.58Å; T303-F307 HydrophobicContact CG2-CE1 4.23Å; T303-F307 HydrophobicContact CG2-CG 4.27Å; A304-F307 HydrophobicContact CB-CB 4.23Å; A304-F307 WeakPolarHBondContact O-CB 3.39Å; A304-F307 PolarHBondContact O-N 2.74Å; A304-F307 VanDerWaalsContact O-N 3.1Å; F307-F309 AromaticContact CE2-CD2 3.86Å; F307-F309 HydrophobicContact CE2-CD2 3.86Å; F307-F309 HydrophobicContact CZ-CD2 4.42Å; F307-F309 PolarHBondContact O-N 2.79Å
308	P	98.8	Very high	98.1	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.052	16%	0.157	C	C	.	.			trans	-60.2	132.9	-177	22.8	-36.2	0	0	0	113.1	W110 Y262 G263 A264 N347 F349 A386	W110-P308 HydrophobicContact CH2-CB 4.24Å; W110-P308 HydrophobicContact CH2-CG 4.08Å; Y262-P308 HydrophobicContact CD1-CG 4.03Å; Y262-P308 HydrophobicContact CE1-CG 3.89Å; Y262-P308 WeakPolarHBondContact O-CD 3.33Å; Y262-P308 WeakPolarHBondContact O-CG 3.28Å; G263-P308 VanDerWaalsContact CA-O 3.25Å; G263-P308 WeakPolarHBondContact CA-O 3.49Å; A264-P308 PolarHBondContact N-O 3.31Å; P308-N347 WeakPolarHBondContact CA-ND2 3.44Å; P308-N347 WeakPolarHBondContact CA-O 3.25Å; P308-F349 HydrophobicContact CB-CE1 4.28Å; P308-A386 HydrophobicContact CB-CB 3.4Å; P308-A386 VanDerWaalsContact CB-CB 3.4Å; P308-A386 HydrophobicContact CG-CB 3.66Å
309	F	98.9	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.6	-179.1	-157.1	-74	0	0	0	111	A264 W266 F284 M287 I288 W291 F307 N347 T348 F349	A264-F309 HydrophobicContact CB-CD2 3.83Å; A264-F309 HydrophobicContact CB-CE2 3.76Å; A264-F309 HydrophobicContact CB-CZ 4.4Å; A264-F309 WeakPolarHBondContact O-CA 2.94Å; W266-F309 HydrophobicContact CB-CD1 4.48Å; W266-F309 HydrophobicContact CB-CE1 3.45Å; W266-F309 VanDerWaalsContact CB-CE1 3.45Å; W266-F309 HydrophobicContact CB-CZ 3.88Å; W266-F309 HydrophobicContact CD2-CZ 4.5Å; W266-F309 HydrophobicContact CG-CE1 4.02Å; W266-F309 HydrophobicContact CG-CZ 4.23Å; F284-F309 HydrophobicContact CE2-CE1 4.3Å; F284-F309 HydrophobicContact CZ-CE1 4.41Å; M287-F309 HydrophobicContact CE-CZ 4.33Å; I288-F309 HydrophobicContact CD1-CD1 3.91Å; I288-F309 HydrophobicContact CD1-CE1 4.04Å; I288-F309 HydrophobicContact CD1-CG 4.4Å; I288-F309 HydrophobicContact CG1-CD1 3.85Å; I288-F309 HydrophobicContact CG1-CD2 4.14Å; I288-F309 HydrophobicContact CG1-CE1 3.75Å; I288-F309 HydrophobicContact CG1-CE2 4.07Å; I288-F309 HydrophobicContact CG1-CG 4.05Å; I288-F309 HydrophobicContact CG1-CZ 3.89Å; I288-F309 HydrophobicContact CG2-CB 4.07Å; I288-F309 HydrophobicContact CG2-CD2 3.98Å; I288-F309 HydrophobicContact CG2-CG 3.95Å; W291-F309 AromaticContact CE3-CE2 3.91Å; W291-F309 HydrophobicContact CE3-CE2 3.91Å; W291-F309 HydrophobicContact CZ3-CE2 4.3Å; F307-F309 AromaticContact CE2-CD2 3.86Å; F307-F309 HydrophobicContact CE2-CD2 3.86Å; F307-F309 HydrophobicContact CZ-CD2 4.42Å; F307-F309 PolarHBondContact O-N 2.79Å; F309-N347 PolarHBondContact N-O 3.15Å; F309-T348 HydrophobicContact CB-CG2 4.06Å; F309-T348 WeakPolarHBondContact O-CA 3.4Å; F309-T348 VanDerWaalsContact O-CB 3.28Å; F309-T348 WeakPolarHBondContact O-CB 3.26Å; F309-F349 PolarHBondContact O-N 3.38Å
310	G	98.9	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	146.1	175.6	0	0	0	0	0	111.9	A264 I265 W266 F349	A264-G310 PolarHBondContact O-N 3.19Å; I265-G310 CarbonylContact C-O 3.59Å; I265-G310 VanDerWaalsContact CA-O 3.26Å; I265-G310 WeakPolarHBondContact CA-O 3.28Å; W266-G310 PolarHBondContact N-O 2.95Å; G310-F349 CarbonylContact C-O 3.56Å; G310-F349 VanDerWaalsContact CA-O 3.3Å; G310-F349 WeakPolarHBondContact CA-O 3.4Å
311	F	98.9	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.1	169.6	65.7	-88.2	0	0	0	113.5	W266 F284 Q333 V340 M345 F349 M350 A351 L378	W266-F311 HydrophobicContact CB-CB 4.02Å; W266-F311 CarbonylContact O-C 3.45Å; W266-F311 WeakPolarHBondContact O-CA 3.29Å; W266-F311 WeakPolarHBondContact O-CB 3.42Å; F284-F311 HydrophobicContact CE1-CD1 4.12Å; F284-F311 HydrophobicContact CE1-CD2 4.14Å; F284-F311 HydrophobicContact CE1-CE1 4.32Å; F284-F311 HydrophobicContact CE1-CE2 4.35Å; F284-F311 HydrophobicContact CE1-CG 4.02Å; F284-F311 HydrophobicContact CE1-CZ 4.43Å; F284-F311 HydrophobicContact CZ-CB 3.92Å; F284-F311 HydrophobicContact CZ-CD1 4.05Å; F284-F311 HydrophobicContact CZ-CD2 4.33Å; F284-F311 AromaticContact CZ-CG 3.85Å; F284-F311 HydrophobicContact CZ-CG 3.85Å; F311-Q333 HydrophobicContact CD2-CB 4.42Å; F311-Q333 HydrophobicContact CE2-CB 3.86Å; F311-Q333 WeakPolarHBondContact CE2-O 3.48Å; F311-Q333 WeakPolarHBondContact CZ-O 3.47Å; F311-V340 HydrophobicContact CE1-CB 4.35Å; F311-V340 HydrophobicContact CE1-CG1 3.98Å; F311-V340 HydrophobicContact CE1-CG2 3.7Å; F311-V340 HydrophobicContact CZ-CB 4.46Å; F311-V340 HydrophobicContact CZ-CG1 3.92Å; F311-V340 HydrophobicContact CZ-CG2 3.72Å; F311-M345 HydrophobicContact CE1-CE 3.87Å; F311-M345 HydrophobicContact CZ-CE 4.34Å; F311-F349 PolarHBondContact N-O 3.16Å; F311-M350 HydrophobicContact CD2-CB 4.34Å; F311-M350 HydrophobicContact CD2-CG 3.96Å; F311-M350 HydrophobicContact CD2-SD 4.39Å; F311-M350 HydrophobicContact CE1-CB 4.17Å; F311-M350 HydrophobicContact CE2-CB 3.84Å; F311-M350 HydrophobicContact CE2-CG 3.45Å; F311-M350 VanDerWaalsContact CE2-CG 3.45Å; F311-M350 HydrophobicContact CE2-SD 3.4Å; F311-M350 WeakPolarHBondContact CE2-SD 3.46Å; F311-M350 HydrophobicContact CZ-CB 3.75Å; F311-M350 HydrophobicContact CZ-CG 3.87Å; F311-M350 HydrophobicContact CZ-SD 3.74Å; F311-M350 CarbonylContact O-C 3.52Å; F311-M350 VanDerWaalsContact O-CA 3.23Å; F311-M350 WeakPolarHBondContact O-CA 3.43Å; F311-A351 PolarHBondContact O-N 3.48Å; F311-L378 WeakPolarHBondContact O-CD2 3.33Å
312	V	98.9	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.3	175.9	-173.4	0	0	0	0	109	L179 W266 Y267 Q333 A353 V374 L378	L179-V312 HydrophobicContact CD2-CG2 3.78Å; W266-V312 PolarHBondContact O-N 3.39Å; Y267-V312 HydrophobicContact CD1-CB 3.75Å; Y267-V312 HydrophobicContact CD1-CG1 3.91Å; Y267-V312 HydrophobicContact CD1-CG2 3.7Å; Y267-V312 HydrophobicContact CD2-CB 3.76Å; Y267-V312 HydrophobicContact CD2-CG1 4.11Å; Y267-V312 HydrophobicContact CD2-CG2 4.5Å; Y267-V312 HydrophobicContact CE1-CB 3.98Å; Y267-V312 HydrophobicContact CE1-CG1 3.58Å; Y267-V312 HydrophobicContact CE1-CG2 4.2Å; Y267-V312 HydrophobicContact CE2-CB 4.04Å; Y267-V312 HydrophobicContact CE2-CG1 3.85Å; Y267-V312 HydrophobicContact CG-CB 3.62Å; Y267-V312 HydrophobicContact CG-CG1 4.15Å; Y267-V312 HydrophobicContact CG-CG2 3.86Å; V312-Q333 PolarHBondContact O-NE2 2.87Å; V312-Q333 VanDerWaalsContact O-NE2 3.07Å; V312-A353 HydrophobicContact CG1-CB 3.74Å; V312-V374 HydrophobicContact CB-CG1 4.22Å; V312-V374 HydrophobicContact CG1-CG1 3.63Å; V312-V374 HydrophobicContact CG2-CG1 3.47Å; V312-V374 VanDerWaalsContact CG2-CG1 3.47Å; V312-L378 HydrophobicContact CG2-CD1 3.93Å; V312-L378 HydrophobicContact CG2-CD2 4.42Å; V312-L378 HydrophobicContact CG2-CG 4.36Å
313	Q	98.6	Very high	96.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.6	136	168.2	-177.2	171.3	72.1	0	0	108.8	S315 R330 M350 A351 A353 P498	Q313-S315 PolarHBondContact O-N 3.19Å; Q313-R330 HydrophobicContact CG-CB 3.76Å; Q313-R330 HydrophobicContact CG-CG 3.62Å; Q313-R330 PolarHBondContact NE2-O 2.87Å; Q313-R330 VanDerWaalsContact NE2-O 3.1Å; Q313-M350 HydrophobicContact CB-CG 4.03Å; Q313-M350 HydrophobicContact CB-SD 3.8Å; Q313-M350 HydrophobicContact CG-SD 4.42Å; Q313-A351 PolarHBondContact N-O 2.7Å; Q313-A353 VanDerWaalsContact O-CB 3.31Å; Q313-A353 WeakPolarHBondContact O-CB 3.26Å; Q313-P498 VanDerWaalsContact NE2-CD 3.28Å
314	L	98.6	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-52.4	136.5	-175.1	-62.9	-169.4	0	0	0	112.4	Y267 E270 F326 I329 R330	Y267-L314 HydrophobicContact CE2-CD2 4.16Å; E270-L314 VanDerWaalsContact CD-CD2 3.49Å; E270-L314 HydrophobicContact CG-CD1 4.18Å; E270-L314 HydrophobicContact CG-CD2 3.9Å; E270-L314 WeakPolarHBondContact OE2-CD2 3.49Å; L314-F326 HydrophobicContact CB-CD1 4.22Å; L314-F326 HydrophobicContact CB-CE1 4.42Å; L314-F326 HydrophobicContact CD1-CD1 4.12Å; L314-F326 HydrophobicContact CD1-CE1 4.16Å; L314-I329 HydrophobicContact CD1-CB 3.95Å; L314-I329 HydrophobicContact CD1-CG2 3.43Å; L314-I329 VanDerWaalsContact CD1-CG2 3.43Å; L314-I329 HydrophobicContact CG-CG2 3.96Å; L314-R330 HydrophobicContact CB-CG 4.04Å; L314-R330 PolarHBondContact O-NE 3.23Å
315	S	98.1	Very high	95.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	23%	0.226	C	C	.	.			trans	-74.1	-154.4	166.5	-171.7	0	0	0	0	109.6	Q313 F326 R330 A353 L356	Q313-S315 PolarHBondContact O-N 3.19Å; S315-F326 WeakPolarHBondContact O-CD1 3.2Å; S315-R330 PolarHBondContact O-NH2 2.87Å; S315-A353 WeakPolarHBondContact CB-O 3.4Å; S315-A353 PolarHBondContact OG-O 2.81Å; S315-A353 VanDerWaalsContact OG-O 3.05Å; S315-L356 PolarHBondContact OG-O 2.68Å
316	T	97.2	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.			trans	-99.2	159.2	-176.5	63.1	0	0	0	0	112.2	F354 P357 D477 W478	T316-F354 WeakPolarHBondContact CG2-O 3.33Å; T316-P357 HydrophobicContact CG2-CB 4.02Å; T316-P357 WeakPolarHBondContact OG1-CA 3.41Å; T316-P357 VanDerWaalsContact OG1-CB 3.31Å; T316-P357 WeakPolarHBondContact OG1-CB 3.23Å; T316-D477 WeakPolarHBondContact CG2-O 3.35Å; T316-W478 VanDerWaalsContact CB-CE3 3.43Å; T316-W478 HydrophobicContact CG2-CB 4.47Å; T316-W478 HydrophobicContact CG2-CD2 4.04Å; T316-W478 HydrophobicContact CG2-CE3 4.23Å; T316-W478 HydrophobicContact CG2-CG 4.16Å; T316-W478 VanDerWaalsContact OG1-CZ3 3.3Å; T316-W478 WeakPolarHBondContact OG1-CZ3 3.34Å
317	Y	96.7	Very high	95.6	Very high	86 Å²	86	32.7 Å²	32.7	34%	0.337	18%	0.181	S	C	.	.			trans	-125.9	-64	168.8	177.7	-159.1	0	0	0	112.3	F326 T365 I366 D477	Y317-F326 VanDerWaalsContact CB-CZ 3.46Å; Y317-F326 AromaticContact CD1-CE2 3.9Å; Y317-F326 HydrophobicContact CD1-CE2 3.9Å; Y317-F326 HydrophobicContact CD1-CZ 4.09Å; Y317-F326 HydrophobicContact CG-CE2 4.37Å; Y317-F326 HydrophobicContact CG-CZ 4.19Å; Y317-T365 WeakPolarHBondContact O-CB 3.41Å; Y317-T365 PolarHBondContact O-OG1 3.23Å; Y317-I366 HydrophobicContact CD1-CD1 4.01Å; Y317-I366 HydrophobicContact CD2-CB 3.54Å; Y317-I366 HydrophobicContact CD2-CD1 4.26Å; Y317-I366 HydrophobicContact CD2-CG1 4.28Å; Y317-I366 HydrophobicContact CD2-CG2 4.3Å; Y317-I366 HydrophobicContact CE1-CD1 4.3Å; Y317-I366 HydrophobicContact CE2-CB 4.06Å; Y317-I366 HydrophobicContact CE2-CG2 4.34Å; Y317-I366 HydrophobicContact CG-CB 3.93Å; Y317-I366 HydrophobicContact CG-CD1 3.98Å; Y317-I366 HydrophobicContact CG-CG1 4.17Å; Y317-D477 PolarHBondContact N-OD1 3.32Å
318	K	95.8	Very high	95.6	Very high	87 Å²	87	33.2 Å²	33.2	38%	0.378	18%	0.183	S	C	.	.			trans	-117.5	128	-172.7	-63.7	170	-174.6	159.6	0	112	S320 A321 D477	K318-S320 VanDerWaalsContact C-N 3.34Å; K318-S320 PolarHBondContact O-N 3.5Å; K318-A321 HydrophobicContact CB-CB 4.11Å; K318-D477 VanDerWaalsContact N-CG 3.3Å; K318-D477 PolarHBondContact N-OD1 3.41Å; K318-D477 PolarHBondContact N-OD2 3.24Å; K318-D477 WeakPolarHBondContact O-CB 3.42Å
319	E	91.3	Very high	95.5	Very high	107 Å²	107	32.9 Å²	32.9	50%	0.5	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36	178.2	-75.1	-176.5	-131.3	0	0	113.9	K359 W478	E319-K359 WeakPolarHBondContact OE1-CD 3.33Å; E319-K359 WeakPolarHBondContact OE1-CE 3.17Å; E319-K359 WeakPolarHBondContact OE1-CG 3.24Å; E319-K359 IonicContact OE1-NZ 2.68Å; E319-K359 PolarHBondContact OE1-NZ 3.39Å; E319-K359 VanDerWaalsContact OE1-NZ 3.13Å; E319-K359 IonicContact OE2-NZ 3.59Å; E319-K359 PolarHBondContact OE2-NZ 3.18Å; E319-W478 HydrophobicContact CB-CD2 4.48Å; E319-W478 HydrophobicContact CB-CG 4.48Å; E319-W478 HydrophobicContact CG-CB 4.39Å; E319-W478 HydrophobicContact CG-CD2 3.49Å; E319-W478 VanDerWaalsContact CG-CD2 3.49Å; E319-W478 HydrophobicContact CG-CE3 3.7Å; E319-W478 HydrophobicContact CG-CG 3.82Å; E319-W478 HydrophobicContact CG-CH2 4.4Å; E319-W478 HydrophobicContact CG-CZ2 4.17Å; E319-W478 HydrophobicContact CG-CZ3 4.17Å
320	S	87.6	Confident	95.5	Very high	114 Å²	114	32.9 Å²	32.9	80%	0.797	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	32.8	-174.9	-51.6	0	0	0	0	112.3	K318 T322	K318-S320 VanDerWaalsContact C-N 3.34Å; K318-S320 PolarHBondContact O-N 3.5Å; S320-T322 PolarHBondContact O-N 3.3Å
321	A	90.3	Very high	95.5	Very high	31 Å²	31	34.2 Å²	34.2	26%	0.256	19%	0.186	S	C	.	.			trans	-59.9	137.1	171.9	0	0	0	0	0	110.1	K318 D477	K318-A321 HydrophobicContact CB-CB 4.11Å; A321-D477 HydrophobicContact CB-CB 3.62Å
322	T	86.1	Confident	95.4	Very high	144 Å²	144	35.4 Å²	35.4	88%	0.883	19%	0.191	S	C	*	.			trans	-105.5	-5.9	175.4	56.4	0	0	0	0	112.5	S320	S320-T322 PolarHBondContact O-N 3.3Å
323	D	91.3	Very high	95.4	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	19%	0.191	S	C	.	.	S	Bend	trans	-99.5	161.3	175.6	65.2	78.2	0	0	0	111.4	G325	D323-G325 PolarHBondContact OD1-N 3.45Å
324	D	93.1	Very high	95.4	Very high	33 Å²	33	35.3 Å²	35.3	18%	0.176	19%	0.191	C	C	.	.			trans	-95.3	21.1	179.5	-76.6	-5.2	0	0	0	112.3	F326 P327 D328 R472 W475	D324-F326 PolarHBondContact O-N 2.87Å; D324-P327 HydrophobicContact CB-CG 4.11Å; D324-P327 WeakPolarHBondContact O-CD 3.2Å; D324-P327 WeakPolarHBondContact O-CG 3.48Å; D324-D328 WeakPolarHBondContact O-CB 3.24Å; D324-D328 PolarHBondContact O-N 3.45Å; D324-R472 IonicContact OD2-NH1 3.32Å; D324-R472 PolarHBondContact OD2-NH1 2.67Å; D324-W475 PolarHBondContact OD2-NE1 2.67Å
325	G	95.8	Very high	95.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-52.6	-59.5	-175	0	0	0	0	0	114	D323 I329	D323-G325 PolarHBondContact OD1-N 3.45Å; G325-I329 WeakPolarHBondContact O-CG1 3.44Å; G325-I329 PolarHBondContact O-N 3.12Å
326	F	97.7	Very high	95.2	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.044	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-50.1	178.9	-89.1	-117.6	0	0	0	114.2	E270 A273 L314 S315 Y317 D324 D328 I329 R330 I366 D477	E270-F326 HydrophobicContact CB-CZ 4.01Å; E270-F326 HydrophobicContact CG-CE1 4.1Å; E270-F326 HydrophobicContact CG-CZ 3.88Å; A273-F326 HydrophobicContact CB-CD2 3.85Å; A273-F326 HydrophobicContact CB-CE2 3.94Å; L314-F326 HydrophobicContact CB-CD1 4.22Å; L314-F326 HydrophobicContact CB-CE1 4.42Å; L314-F326 HydrophobicContact CD1-CD1 4.12Å; L314-F326 HydrophobicContact CD1-CE1 4.16Å; S315-F326 WeakPolarHBondContact O-CD1 3.2Å; Y317-F326 VanDerWaalsContact CB-CZ 3.46Å; Y317-F326 AromaticContact CD1-CE2 3.9Å; Y317-F326 HydrophobicContact CD1-CE2 3.9Å; Y317-F326 HydrophobicContact CD1-CZ 4.09Å; Y317-F326 HydrophobicContact CG-CE2 4.37Å; Y317-F326 HydrophobicContact CG-CZ 4.19Å; D324-F326 PolarHBondContact O-N 2.87Å; F326-D328 VanDerWaalsContact C-N 3.32Å; F326-D328 PolarHBondContact O-N 2.64Å; F326-I329 PolarHBondContact O-N 3.13Å; F326-R330 WeakPolarHBondContact O-CG 3.18Å; F326-R330 PolarHBondContact O-N 2.99Å; F326-I366 HydrophobicContact CZ-CD1 4Å; F326-I366 HydrophobicContact CZ-CG1 4.23Å; F326-D477 HydrophobicContact CB-CB 4.18Å
327	P	97	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-36.4	179.7	23.8	-33.8	0	0	0	113.1	D324 R330 W331 W475	D324-P327 HydrophobicContact CB-CG 4.11Å; D324-P327 WeakPolarHBondContact O-CD 3.2Å; D324-P327 WeakPolarHBondContact O-CG 3.48Å; P327-R330 PolarHBondContact O-N 3.18Å; P327-W331 PolarHBondContact O-N 2.97Å; P327-W331 VanDerWaalsContact O-N 3.08Å; P327-W475 HydrophobicContact CB-CB 4.5Å; P327-W475 HydrophobicContact CB-CD2 4.07Å; P327-W475 HydrophobicContact CB-CG 3.93Å; P327-W475 HydrophobicContact CG-CG 4.47Å
328	D	97.2	Very high	95.1	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-46.9	173.5	-73.4	-17.5	0	0	0	111	K277 D324 F326 R330 W331 H332 W475	K277-D328 HydrophobicContact CD-CB 3.8Å; K277-D328 VanDerWaalsContact CE-OD2 3.22Å; K277-D328 WeakPolarHBondContact CE-OD2 3.24Å; K277-D328 HydrophobicContact CG-CB 4.13Å; K277-D328 IonicContact NZ-OD2 2.7Å; K277-D328 PolarHBondContact NZ-OD2 3.07Å; D324-D328 WeakPolarHBondContact O-CB 3.24Å; D324-D328 PolarHBondContact O-N 3.45Å; F326-D328 VanDerWaalsContact C-N 3.32Å; F326-D328 PolarHBondContact O-N 2.64Å; D328-R330 PolarHBondContact O-N 2.91Å; D328-W331 WeakPolarHBondContact O-CB 3.2Å; D328-W331 PolarHBondContact O-N 3.09Å; D328-W331 VanDerWaalsContact O-N 3.17Å; D328-H332 WeakPolarHBondContact O-CB 3.4Å; D328-H332 PolarHBondContact O-CD2 3.36Å; D328-H332 VanDerWaalsContact O-CD2 3.26Å; D328-H332 PolarHBondContact O-N 2.05Å; D328-W475 WeakPolarHBondContact OD1-CZ2 3.33Å
329	I	98.4	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-42.5	176.8	-67.5	-64.8	0	0	0	111.5	N272 A273 K277 Y280 L314 G325 F326 W331 H332 Q333	N272-I329 HydrophobicContact CB-CD1 3.73Å; A273-I329 HydrophobicContact CB-CG1 4.2Å; K277-I329 HydrophobicContact CG-CD1 3.95Å; K277-I329 HydrophobicContact CG-CG1 4.23Å; Y280-I329 HydrophobicContact CD1-CD1 4.31Å; Y280-I329 HydrophobicContact CD1-CG2 4.5Å; Y280-I329 HydrophobicContact CD2-CD1 4.01Å; Y280-I329 HydrophobicContact CE1-CG2 4.4Å; Y280-I329 HydrophobicContact CG-CD1 3.76Å; L314-I329 HydrophobicContact CD1-CB 3.95Å; L314-I329 HydrophobicContact CD1-CG2 3.43Å; L314-I329 VanDerWaalsContact CD1-CG2 3.43Å; L314-I329 HydrophobicContact CG-CG2 3.96Å; G325-I329 WeakPolarHBondContact O-CG1 3.44Å; G325-I329 PolarHBondContact O-N 3.12Å; F326-I329 PolarHBondContact O-N 3.13Å; I329-W331 PolarHBondContact O-N 2.86Å; I329-H332 PolarHBondContact O-N 3.23Å; I329-Q333 HydrophobicContact CG2-CG 4.11Å; I329-Q333 WeakPolarHBondContact O-CB 3.4Å; I329-Q333 VanDerWaalsContact O-CG 3.26Å; I329-Q333 WeakPolarHBondContact O-CG 3.42Å; I329-Q333 PolarHBondContact O-N 2.96Å
330	R	98.4	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-36.1	176.6	-69.6	-177.8	-166.4	131.1	5.8	112.6	Q313 L314 S315 F326 P327 D328 F354 S476 D477 P498	Q313-R330 HydrophobicContact CG-CB 3.76Å; Q313-R330 HydrophobicContact CG-CG 3.62Å; Q313-R330 PolarHBondContact NE2-O 2.87Å; Q313-R330 VanDerWaalsContact NE2-O 3.1Å; L314-R330 HydrophobicContact CB-CG 4.04Å; L314-R330 PolarHBondContact O-NE 3.23Å; S315-R330 PolarHBondContact O-NH2 2.87Å; F326-R330 WeakPolarHBondContact O-CG 3.18Å; F326-R330 PolarHBondContact O-N 2.99Å; P327-R330 PolarHBondContact O-N 3.18Å; D328-R330 PolarHBondContact O-N 2.91Å; R330-F354 VanDerWaalsContact CZ-CB 3.48Å; R330-S476 PolarHBondContact NH1-O 3.47Å; R330-D477 PolarHBondContact NH2-O 3.39Å; R330-P498 HydrophobicContact CB-CG 3.83Å
331	W	97.9	Very high	95.9	Very high	29 Å²	29	26.9 Å²	26.9	11%	0.11	15%	0.151	C	C	.	.	H	α-helix	trans	-71.4	-49.6	174.9	-176.3	-112.7	0	0	0	111.5	P327 D328 I329 Q333 T334 D336 W475 F499 I500	P327-W331 PolarHBondContact O-N 2.97Å; P327-W331 VanDerWaalsContact O-N 3.08Å; D328-W331 WeakPolarHBondContact O-CB 3.2Å; D328-W331 PolarHBondContact O-N 3.09Å; D328-W331 VanDerWaalsContact O-N 3.17Å; I329-W331 PolarHBondContact O-N 2.86Å; W331-Q333 VanDerWaalsContact C-N 3.27Å; W331-Q333 PolarHBondContact O-N 3.33Å; W331-T334 PolarHBondContact O-N 2.72Å; W331-T334 PolarHBondContact O-OG1 3.1Å; W331-D336 HydrophobicContact CZ2-CB 4.36Å; W331-D336 WeakPolarHBondContact CZ2-O 3.41Å; W331-D336 VanDerWaalsContact NE1-CB 3.3Å; W331-D336 PolarHBondContact O-N 2.97Å; W331-W475 HydrophobicContact CB-CH2 3.53Å; W331-W475 HydrophobicContact CB-CZ2 4.46Å; W331-W475 HydrophobicContact CB-CZ3 3.95Å; W331-W475 AromaticContact CD1-CH2 3.96Å; W331-W475 HydrophobicContact CD2-CH2 4.07Å; W331-W475 HydrophobicContact CD2-CZ3 4.15Å; W331-W475 HydrophobicContact CE3-CZ3 4.27Å; W331-W475 AromaticContact CG-CH2 3.56Å; W331-W475 HydrophobicContact CG-CH2 3.56Å; W331-W475 HydrophobicContact CG-CZ3 4.04Å; W331-F499 HydrophobicContact CZ3-CB 3.96Å; W331-I500 HydrophobicContact CD2-CG2 3.92Å; W331-I500 HydrophobicContact CE3-CG2 4.39Å; W331-I500 HydrophobicContact CG-CG2 4.42Å; W331-I500 HydrophobicContact CH2-CG2 4.21Å; W331-I500 HydrophobicContact CZ2-CG2 3.69Å
332	H	98.3	Very high	96.2	Very high	24 Å²	24	26.2 Å²	26.2	11%	0.111	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-31.3	178.7	-65.9	-26.2	0	0	0	113.6	K277 Y280 N281 D328 I329 T334 A335 D336	K277-H332 PolarHBondContact O-CD2 3.05Å; Y280-H332 HydrophobicContact CD1-CB 3.83Å; Y280-H332 HydrophobicContact CG-CB 4.35Å; N281-H332 HydrophobicContact CB-CB 4.02Å; D328-H332 WeakPolarHBondContact O-CB 3.4Å; D328-H332 PolarHBondContact O-CD2 3.36Å; D328-H332 VanDerWaalsContact O-CD2 3.26Å; D328-H332 PolarHBondContact O-N 2.05Å; I329-H332 PolarHBondContact O-N 3.23Å; H332-T334 PolarHBondContact O-N 2.97Å; H332-T334 VanDerWaalsContact O-N 3.09Å; H332-A335 PolarHBondContact O-N 2.87Å; H332-D336 WeakPolarHBondContact CA-OD1 3.5Å; H332-D336 IonicContact CE1-OD1 3.13Å; H332-D336 IonicContact CG-OD1 2.93Å; H332-D336 IonicContact ND1-OD1 3.75Å; H332-D336 PolarHBondContact ND1-OD1 3.41Å; H332-D336 IonicContact ND1-OD2 2.82Å
333	Q	98.6	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	173.6	-81.8	178.4	-43.7	0	0	113.1	Q268 Y280 F284 F311 V312 I329 W331 M345	Q268-Q333 PolarHBondContact O-NE2 3.34Å; Q268-Q333 VanDerWaalsContact O-NE2 3.12Å; Y280-Q333 HydrophobicContact CD1-CG 4.39Å; Y280-Q333 HydrophobicContact CE1-CB 4.42Å; Y280-Q333 HydrophobicContact CE1-CG 3.56Å; F284-Q333 HydrophobicContact CE1-CB 4.5Å; F284-Q333 WeakPolarHBondContact CE1-O 3.5Å; F311-Q333 HydrophobicContact CD2-CB 4.42Å; F311-Q333 HydrophobicContact CE2-CB 3.86Å; F311-Q333 WeakPolarHBondContact CE2-O 3.48Å; F311-Q333 WeakPolarHBondContact CZ-O 3.47Å; V312-Q333 PolarHBondContact O-NE2 2.87Å; V312-Q333 VanDerWaalsContact O-NE2 3.07Å; I329-Q333 HydrophobicContact CG2-CG 4.11Å; I329-Q333 WeakPolarHBondContact O-CB 3.4Å; I329-Q333 VanDerWaalsContact O-CG 3.26Å; I329-Q333 WeakPolarHBondContact O-CG 3.42Å; I329-Q333 PolarHBondContact O-N 2.96Å; W331-Q333 VanDerWaalsContact C-N 3.27Å; W331-Q333 PolarHBondContact O-N 3.33Å; Q333-M345 WeakPolarHBondContact O-CE 3.29Å; Q333-M345 VanDerWaalsContact O-SD 3.41Å
334	T	98.2	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	13.7	176.9	68.3	0	0	0	0	113.3	W331 H332 D336 V337 G338 N342 M350	W331-T334 PolarHBondContact O-N 2.72Å; W331-T334 PolarHBondContact O-OG1 3.1Å; H332-T334 PolarHBondContact O-N 2.97Å; H332-T334 VanDerWaalsContact O-N 3.09Å; T334-D336 PolarHBondContact O-N 2.7Å; T334-V337 PolarHBondContact O-N 2.95Å; T334-V337 PolarHBondContact OG1-N 3.13Å; T334-G338 WeakPolarHBondContact OG1-CA 3.48Å; T334-G338 PolarHBondContact OG1-N 3.11Å; T334-N342 PolarHBondContact O-ND2 3.01Å; T334-M350 HydrophobicContact CG2-CE 4.05Å; T334-M350 HydrophobicContact CG2-SD 3.67Å
335	A	97.6	Very high	97	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.025	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	34.4	-172.9	0	0	0	0	0	113.2	P285 H332 R344 M345	P285-A335 HydrophobicContact CG-CB 3.73Å; H332-A335 PolarHBondContact O-N 2.87Å; A335-R344 HydrophobicContact CB-CB 3.85Å; A335-R344 HydrophobicContact CB-CG 4.45Å; A335-R344 PolarHBondContact O-NH1 2.71Å; A335-R344 VanDerWaalsContact O-NH1 3.1Å; A335-M345 HydrophobicContact CB-CG 4.01Å; A335-M345 HydrophobicContact CB-SD 3.84Å
336	D	95.9	Very high	97.1	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	65.7	36.7	-179.6	-55.8	-16.9	0	0	0	114.5	N281 W331 H332 T334	N281-D336 WeakPolarHBondContact CB-OD2 3.38Å; N281-D336 PolarHBondContact ND2-OD2 2.89Å; W331-D336 HydrophobicContact CZ2-CB 4.36Å; W331-D336 WeakPolarHBondContact CZ2-O 3.41Å; W331-D336 VanDerWaalsContact NE1-CB 3.3Å; W331-D336 PolarHBondContact O-N 2.97Å; H332-D336 WeakPolarHBondContact CA-OD1 3.5Å; H332-D336 IonicContact CE1-OD1 3.13Å; H332-D336 IonicContact CG-OD1 2.93Å; H332-D336 IonicContact ND1-OD1 3.75Å; H332-D336 PolarHBondContact ND1-OD1 3.41Å; H332-D336 IonicContact ND1-OD2 2.82Å; T334-D336 PolarHBondContact O-N 2.7Å
337	V	95.2	Very high	97.1	Very high	40 Å²	40	35.5 Å²	35.5	24%	0.242	17%	0.171	C	C	.	.	S	Bend	trans	-114.4	-29.7	-179.4	-176.8	0	0	0	0	112.5	T334 F339 N342 F398	T334-V337 PolarHBondContact O-N 2.95Å; T334-V337 PolarHBondContact OG1-N 3.13Å; V337-F339 HydrophobicContact CG1-CD1 3.99Å; V337-F339 HydrophobicContact CG1-CE1 3.64Å; V337-F339 HydrophobicContact CG1-CE2 4.32Å; V337-F339 HydrophobicContact CG1-CG 4.49Å; V337-F339 HydrophobicContact CG1-CZ 3.82Å; V337-N342 HydrophobicContact CB-CB 4.38Å; V337-N342 HydrophobicContact CG1-CB 4.01Å; V337-N342 HydrophobicContact CG2-CB 4.33Å; V337-F398 VanDerWaalsContact O-CZ 3.29Å; V337-F398 WeakPolarHBondContact O-CZ 3.43Å
338	G	95.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	93.9	-14.2	-178.6	0	0	0	0	0	114.9	T334 P497	T334-G338 WeakPolarHBondContact OG1-CA 3.48Å; T334-G338 PolarHBondContact OG1-N 3.11Å; G338-P497 WeakPolarHBondContact O-CB 3.49Å; G338-P497 WeakPolarHBondContact O-CG 3.27Å
339	F	96.2	Very high	97.3	Very high	75 Å²	75	34.9 Å²	34.9	33%	0.329	17%	0.168	S	C	.	.	S	Bend	trans	-147.4	160.5	177.5	64.2	-91	0	0	0	112	V337 N342 F398	V337-F339 HydrophobicContact CG1-CD1 3.99Å; V337-F339 HydrophobicContact CG1-CE1 3.64Å; V337-F339 HydrophobicContact CG1-CE2 4.32Å; V337-F339 HydrophobicContact CG1-CG 4.49Å; V337-F339 HydrophobicContact CG1-CZ 3.82Å; F339-N342 HydrophobicContact CE2-CB 4.37Å; F339-N342 PolarHBondContact O-ND2 3.38Å; F339-F398 AromaticContact CD1-CD1 3.66Å; F339-F398 HydrophobicContact CD1-CD1 3.66Å; F339-F398 HydrophobicContact CD1-CD2 4.31Å; F339-F398 AromaticContact CD1-CE1 3.7Å; F339-F398 HydrophobicContact CD1-CE1 3.7Å; F339-F398 HydrophobicContact CD1-CE2 4.34Å; F339-F398 AromaticContact CD1-CG 3.98Å; F339-F398 HydrophobicContact CD1-CG 3.98Å; F339-F398 HydrophobicContact CD1-CZ 4.05Å; F339-F398 AromaticContact CE1-CD1 3.94Å; F339-F398 HydrophobicContact CE1-CD1 3.94Å; F339-F398 AromaticContact CE1-CE1 3.88Å; F339-F398 HydrophobicContact CE1-CE1 3.88Å
340	V	97.9	Very high	97.3	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	17%	0.173	C	C	.	.	S	Bend	trans	-138.1	145.7	172.7	-71.4	0	0	0	0	110.6	F311 M345 T348 M350 Q395	F311-V340 HydrophobicContact CE1-CB 4.35Å; F311-V340 HydrophobicContact CE1-CG1 3.98Å; F311-V340 HydrophobicContact CE1-CG2 3.7Å; F311-V340 HydrophobicContact CZ-CB 4.46Å; F311-V340 HydrophobicContact CZ-CG1 3.92Å; F311-V340 HydrophobicContact CZ-CG2 3.72Å; V340-M345 HydrophobicContact CG1-CB 4.06Å; V340-M345 HydrophobicContact CG1-SD 3.89Å; V340-T348 WeakPolarHBondContact CB-OG1 3.49Å; V340-M350 HydrophobicContact CG2-CB 3.33Å; V340-M350 HydrophobicContact CG2-CG 4.5Å; V340-Q395 PolarHBondContact O-NE2 3.11Å
341	P	98	Very high	97.3	Very high	48 Å²	48	35.8 Å²	35.8	31%	0.312	17%	0.173	S	C	.	.	S	Bend	cis	-73.2	152.6	6.2	29.9	-35	0	0	0	112.7	M345 T348	P341-M345 WeakPolarHBondContact CA-O 3.4Å; P341-T348 WeakPolarHBondContact CD-O 3.36Å
342	N	96.6	Very high	97.4	Very high	16 Å²	16	34.9 Å²	34.9	9%	0.086	17%	0.171	C	C	.	.			trans	-143.5	-179.3	175.3	68.6	53.3	0	0	0	111	T334 V337 F339 R344 M345 K346	T334-N342 PolarHBondContact O-ND2 3.01Å; V337-N342 HydrophobicContact CB-CB 4.38Å; V337-N342 HydrophobicContact CG1-CB 4.01Å; V337-N342 HydrophobicContact CG2-CB 4.33Å; F339-N342 HydrophobicContact CE2-CB 4.37Å; F339-N342 PolarHBondContact O-ND2 3.38Å; N342-R344 PolarHBondContact O-N 3.02Å; N342-R344 PolarHBondContact OD1-N 3.06Å; N342-M345 PolarHBondContact N-O 2.8Å; N342-M345 CarbonylContact O-C 3.52Å; N342-M345 PolarHBondContact O-N 2.91Å; N342-M345 PolarHBondContact OD1-N 2.89Å; N342-K346 PolarHBondContact O-N 3.39Å
343	I	94.3	Very high	97.4	Very high	155 Å²	155	33.8 Å²	33.8	80%	0.795	17%	0.165	S	C	*	.	S	Bend	trans	-62.2	-27.6	-174.3	60.9	167.3	0	0	0	114
344	R	95.6	Very high	97.3	Very high	102 Å²	102	33.8 Å²	33.8	39%	0.385	17%	0.165	S	C	.	.	S	Bend	trans	-91.7	-24.1	178.7	-62.5	-175.1	66.5	-156.5	-3.8	112.1	N281 A335 N342	N281-R344 PolarHBondContact O-NH1 2.74Å; N281-R344 PolarHBondContact O-NH2 3.42Å; A335-R344 HydrophobicContact CB-CB 3.85Å; A335-R344 HydrophobicContact CB-CG 4.45Å; A335-R344 PolarHBondContact O-NH1 2.71Å; A335-R344 VanDerWaalsContact O-NH1 3.1Å; N342-R344 PolarHBondContact O-N 3.02Å; N342-R344 PolarHBondContact OD1-N 3.06Å
345	M	97.6	Very high	97.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	-130.3	78.4	-176.7	-57.8	-178.6	82.9	0	0	109.2	F284 P285 I288 F311 Q333 A335 V340 P341 N342 T348	F284-M345 HydrophobicContact CD1-CE 3.92Å; F284-M345 HydrophobicContact CE1-CE 3.67Å; F284-M345 HydrophobicContact CZ-CE 4.44Å; P285-M345 HydrophobicContact CB-CG 4.18Å; P285-M345 HydrophobicContact CG-CE 4.47Å; P285-M345 HydrophobicContact CG-CG 4.21Å; P285-M345 HydrophobicContact CG-SD 4.15Å; I288-M345 HydrophobicContact CD1-CE 3.43Å; I288-M345 VanDerWaalsContact CD1-CE 3.43Å; F311-M345 HydrophobicContact CE1-CE 3.87Å; F311-M345 HydrophobicContact CZ-CE 4.34Å; Q333-M345 WeakPolarHBondContact O-CE 3.29Å; Q333-M345 VanDerWaalsContact O-SD 3.41Å; A335-M345 HydrophobicContact CB-CG 4.01Å; A335-M345 HydrophobicContact CB-SD 3.84Å; V340-M345 HydrophobicContact CG1-CB 4.06Å; V340-M345 HydrophobicContact CG1-SD 3.89Å; P341-M345 WeakPolarHBondContact CA-O 3.4Å; N342-M345 PolarHBondContact N-O 2.8Å; N342-M345 CarbonylContact O-C 3.52Å; N342-M345 PolarHBondContact O-N 2.91Å; N342-M345 PolarHBondContact OD1-N 2.89Å; M345-T348 HydrophobicContact CB-CG2 4.07Å; M345-T348 PolarHBondContact O-OG1 3.04Å
346	K	97.3	Very high	97.3	Very high	147 Å²	147	33.7 Å²	33.7	64%	0.639	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	153.6	176.8	-63.5	-179.8	-176.4	175.5	0	110.8	R292 N342 T348	R292-K346 VanDerWaalsContact CZ-O 3.29Å; R292-K346 PolarHBondContact NH1-O 3.17Å; R292-K346 PolarHBondContact NH2-O 2.85Å; N342-K346 PolarHBondContact O-N 3.39Å; K346-T348 WeakPolarHBondContact O-CG2 3.44Å; K346-T348 PolarHBondContact O-N 3.07Å
347	N	98.3	Very high	97.4	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.203	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	40.8	179.9	-159	21.1	0	0	0	112.7	R292 D306 P308 F309 V385	R292-N347 PolarHBondContact NH2-O 2.95Å; D306-N347 PolarHBondContact O-ND2 2.99Å; P308-N347 WeakPolarHBondContact CA-ND2 3.44Å; P308-N347 WeakPolarHBondContact CA-O 3.25Å; F309-N347 PolarHBondContact N-O 3.15Å; N347-V385 VanDerWaalsContact OD1-CG1 3.28Å; N347-V385 WeakPolarHBondContact OD1-CG1 3.31Å
348	T	98.9	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.1	176.2	60.3	0	0	0	0	110.6	F309 V340 P341 M345 K346	F309-T348 HydrophobicContact CB-CG2 4.06Å; F309-T348 WeakPolarHBondContact O-CA 3.4Å; F309-T348 VanDerWaalsContact O-CB 3.28Å; F309-T348 WeakPolarHBondContact O-CB 3.26Å; V340-T348 WeakPolarHBondContact CB-OG1 3.49Å; P341-T348 WeakPolarHBondContact CD-O 3.36Å; M345-T348 HydrophobicContact CB-CG2 4.07Å; M345-T348 PolarHBondContact O-OG1 3.04Å; K346-T348 WeakPolarHBondContact O-CG2 3.44Å; K346-T348 PolarHBondContact O-N 3.07Å
349	F	98.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.2	176.5	56.3	-86.4	0	0	0	109.4	W110 I265 P308 F309 G310 F311 L378 A382 V385 A386	W110-F349 HydrophobicContact CH2-CE1 4.22Å; W110-F349 HydrophobicContact CH2-CZ 4.03Å; W110-F349 HydrophobicContact CZ3-CE1 4.38Å; W110-F349 AromaticContact CZ3-CZ 3.99Å; W110-F349 HydrophobicContact CZ3-CZ 3.99Å; I265-F349 HydrophobicContact CG2-CZ 4.36Å; P308-F349 HydrophobicContact CB-CE1 4.28Å; F309-F349 PolarHBondContact O-N 3.38Å; G310-F349 CarbonylContact C-O 3.56Å; G310-F349 VanDerWaalsContact CA-O 3.3Å; G310-F349 WeakPolarHBondContact CA-O 3.4Å; F311-F349 PolarHBondContact N-O 3.16Å; F349-L378 HydrophobicContact CD2-CD2 4.12Å; F349-L378 HydrophobicContact CE2-CB 4.35Å; F349-L378 HydrophobicContact CE2-CD2 3.98Å; F349-L378 VanDerWaalsContact CE2-O 3.28Å; F349-L378 WeakPolarHBondContact CE2-O 3.4Å; F349-A382 HydrophobicContact CE1-CB 4.27Å; F349-A382 HydrophobicContact CE2-CB 3.99Å; F349-A382 HydrophobicContact CZ-CB 3.74Å; F349-V385 HydrophobicContact CB-CB 4.29Å; F349-V385 HydrophobicContact CB-CG2 4.06Å; F349-V385 HydrophobicContact CD1-CB 4.23Å; F349-V385 HydrophobicContact CD1-CG1 4.38Å; F349-A386 HydrophobicContact CE1-CB 4.48Å
350	M	98.7	Very high	97.7	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.9	-171.9	176.6	-179.1	72.3	0	0	111.3	F311 Q313 T334 V340 V352 P497	F311-M350 HydrophobicContact CD2-CB 4.34Å; F311-M350 HydrophobicContact CD2-CG 3.96Å; F311-M350 HydrophobicContact CD2-SD 4.39Å; F311-M350 HydrophobicContact CE1-CB 4.17Å; F311-M350 HydrophobicContact CE2-CB 3.84Å; F311-M350 HydrophobicContact CE2-CG 3.45Å; F311-M350 VanDerWaalsContact CE2-CG 3.45Å; F311-M350 HydrophobicContact CE2-SD 3.4Å; F311-M350 WeakPolarHBondContact CE2-SD 3.46Å; F311-M350 HydrophobicContact CZ-CB 3.75Å; F311-M350 HydrophobicContact CZ-CG 3.87Å; F311-M350 HydrophobicContact CZ-SD 3.74Å; F311-M350 CarbonylContact O-C 3.52Å; F311-M350 VanDerWaalsContact O-CA 3.23Å; F311-M350 WeakPolarHBondContact O-CA 3.43Å; Q313-M350 HydrophobicContact CB-CG 4.03Å; Q313-M350 HydrophobicContact CB-SD 3.8Å; Q313-M350 HydrophobicContact CG-SD 4.42Å; T334-M350 HydrophobicContact CG2-CE 4.05Å; T334-M350 HydrophobicContact CG2-SD 3.67Å; V340-M350 HydrophobicContact CG2-CB 3.33Å; V340-M350 HydrophobicContact CG2-CG 4.5Å; M350-V352 HydrophobicContact CE-CG2 3.87Å; M350-P497 HydrophobicContact CE-CB 4.11Å
351	A	98.8	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.6	162.3	0	0	0	0	0	109	F311 Q313 A353 V374 R377 L378	F311-A351 PolarHBondContact O-N 3.48Å; Q313-A351 PolarHBondContact N-O 2.7Å; A351-A353 PolarHBondContact O-N 3.1Å; A351-V374 HydrophobicContact CB-CG1 4.27Å; A351-R377 HydrophobicContact CB-CB 3.67Å; A351-L378 HydrophobicContact CB-CD2 3.77Å; A351-L378 HydrophobicContact CB-CG 3.77Å
352	V	98.6	Very high	97.6	Very high	11 Å²	11	38 Å²	38	7%	0.067	19%	0.193	C	C	.	.			trans	-63.6	132.2	165.4	178.1	0	0	0	0	107.7	M350 F354 R377 P495 P497	M350-V352 HydrophobicContact CE-CG2 3.87Å; V352-F354 HydrophobicContact CG1-CD1 3.5Å; V352-F354 VanDerWaalsContact CG1-CD1 3.5Å; V352-F354 HydrophobicContact CG1-CE1 3.46Å; V352-F354 VanDerWaalsContact CG1-CE1 3.46Å; V352-R377 WeakPolarHBondContact O-CD 3.35Å; V352-R377 PolarHBondContact O-NH1 3.05Å; V352-P495 HydrophobicContact CB-CG 3.84Å; V352-P495 HydrophobicContact CG1-CB 4.3Å; V352-P495 HydrophobicContact CG1-CG 3.53Å; V352-P497 HydrophobicContact CG2-CB 3.91Å
353	A	98.4	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.			trans	-134	-0.2	-178.7	0	0	0	0	0	114.9	V312 Q313 S315 A351 D355 L356 V374	V312-A353 HydrophobicContact CG1-CB 3.74Å; Q313-A353 VanDerWaalsContact O-CB 3.31Å; Q313-A353 WeakPolarHBondContact O-CB 3.26Å; S315-A353 WeakPolarHBondContact CB-O 3.4Å; S315-A353 PolarHBondContact OG-O 2.81Å; S315-A353 VanDerWaalsContact OG-O 3.05Å; A351-A353 PolarHBondContact O-N 3.1Å; A353-D355 PolarHBondContact O-N 3.1Å; A353-L356 HydrophobicContact CB-CD1 4.5Å; A353-L356 WeakPolarHBondContact O-CB 3.44Å; A353-L356 PolarHBondContact O-N 3.26Å; A353-V374 HydrophobicContact CB-CG2 4.15Å
354	F	97.4	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.4	-178.7	77.6	-99.1	0	0	0	114.2	T316 R330 V352 L356 Y473 P479 C485 A496 P498	T316-F354 WeakPolarHBondContact CG2-O 3.33Å; R330-F354 VanDerWaalsContact CZ-CB 3.48Å; V352-F354 HydrophobicContact CG1-CD1 3.5Å; V352-F354 VanDerWaalsContact CG1-CD1 3.5Å; V352-F354 HydrophobicContact CG1-CE1 3.46Å; V352-F354 VanDerWaalsContact CG1-CE1 3.46Å; F354-L356 VanDerWaalsContact C-N 3.25Å; F354-Y473 HydrophobicContact CZ-CE1 4.17Å; F354-P479 HydrophobicContact CD2-CB 4.46Å; F354-P479 HydrophobicContact CD2-CG 3.2Å; F354-P479 HydrophobicContact CE2-CB 4.41Å; F354-P479 HydrophobicContact CE2-CG 3.52Å; F354-P479 HydrophobicContact CG-CG 4.21Å; F354-C485 WeakPolarHBondContact CE2-SG 3.5Å; F354-A496 WeakPolarHBondContact CE1-O 3.22Å; F354-A496 WeakPolarHBondContact CZ-O 3.34Å; F354-P498 VanDerWaalsContact CE1-CD 3.47Å; F354-P498 HydrophobicContact CE1-CG 4.45Å
355	D	98.3	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	6	169.7	75.1	-43.2	0	0	0	113.1	A353 P357 R377 F482 K483 C485 Y488 P495	A353-D355 PolarHBondContact O-N 3.1Å; D355-P357 VanDerWaalsContact O-CD 3.27Å; D355-P357 WeakPolarHBondContact O-CD 3.11Å; D355-R377 IonicContact OD1-CZ 3.41Å; D355-R377 IonicContact OD1-NH1 3.13Å; D355-R377 PolarHBondContact OD1-NH1 3.44Å; D355-R377 IonicContact OD1-NH2 2.9Å; D355-R377 PolarHBondContact OD1-NH2 3.17Å; D355-R377 IonicContact OD2-CZ 2.74Å; D355-R377 IonicContact OD2-NH1 3.94Å; D355-R377 IonicContact OD2-NH2 3.66Å; D355-R377 PolarHBondContact OD2-NH2 3.28Å; D355-F482 WeakPolarHBondContact O-CA 3.22Å; D355-K483 PolarHBondContact O-N 3.05Å; D355-C485 HydrophobicContact CB-CB 4.08Å; D355-Y488 VanDerWaalsContact CB-OH 3.3Å; D355-Y488 WeakPolarHBondContact CB-OH 3.39Å; D355-Y488 WeakPolarHBondContact OD2-CE1 3.06Å; D355-Y488 PolarHBondContact OD2-OH 2.97Å; D355-P495 HydrophobicContact CB-CB 4.3Å; D355-P495 HydrophobicContact CB-CG 4.45Å
356	L	98.3	Very high	97.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.187	C	C	.	.			trans	-115.9	55.5	177.7	-52.6	175.2	0	0	0	111.6	S315 A353 F354 P368 D373 V374 F482 K483	S315-L356 PolarHBondContact OG-O 2.68Å; A353-L356 HydrophobicContact CB-CD1 4.5Å; A353-L356 WeakPolarHBondContact O-CB 3.44Å; A353-L356 PolarHBondContact O-N 3.26Å; F354-L356 VanDerWaalsContact C-N 3.25Å; L356-P368 WeakPolarHBondContact O-CB 3.5Å; L356-D373 HydrophobicContact CD1-CB 3.64Å; L356-D373 HydrophobicContact CD2-CB 4.11Å; L356-V374 HydrophobicContact CD1-CG2 3.74Å; L356-F482 HydrophobicContact CB-CE2 4.46Å; L356-F482 HydrophobicContact CD2-CD2 4.38Å; L356-F482 HydrophobicContact CD2-CE2 3.86Å; L356-F482 HydrophobicContact CD2-CZ 4.23Å; L356-K483 HydrophobicContact CD2-CG 3.88Å
357	P	97.8	Very high	97.9	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.052	16%	0.164	C	C	.	.			trans	-65.3	158.9	171.5	26.9	-35	0	0	0	112.8	T316 D355 W478 F482	T316-P357 HydrophobicContact CG2-CB 4.02Å; T316-P357 WeakPolarHBondContact OG1-CA 3.41Å; T316-P357 VanDerWaalsContact OG1-CB 3.31Å; T316-P357 WeakPolarHBondContact OG1-CB 3.23Å; D355-P357 VanDerWaalsContact O-CD 3.27Å; D355-P357 WeakPolarHBondContact O-CD 3.11Å; P357-W478 HydrophobicContact CB-CD2 4.25Å; P357-W478 VanDerWaalsContact CB-CE2 3.47Å; P357-W478 HydrophobicContact CB-CH2 3.51Å; P357-W478 HydrophobicContact CB-CZ2 3.08Å; P357-W478 HydrophobicContact CB-CZ3 4.26Å; P357-W478 HydrophobicContact CG-CZ2 3.89Å; P357-F482 HydrophobicContact CG-CB 4.37Å
358	D	97.9	Very high	97.9	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.048	16%	0.156	C	C	.	.			trans	-138.4	90.1	168.5	-171.1	-7.2	0	0	0	111.5	T360 S361 P368 R369	D358-T360 PolarHBondContact O-N 2.04Å; D358-T360 VanDerWaalsContact O-N 3.11Å; D358-T360 PolarHBondContact OD1-N 2.98Å; D358-T360 PolarHBondContact OD1-OG1 2.81Å; D358-S361 PolarHBondContact O-N 3.3Å; D358-S361 PolarHBondContact OD1-N 3.18Å; D358-P368 HydrophobicContact CB-CB 3.98Å; D358-R369 IonicContact OD1-CZ 2.79Å; D358-R369 IonicContact OD1-NH2 2.7Å; D358-R369 PolarHBondContact OD1-NH2 3.08Å; D358-R369 IonicContact OD2-CZ 3.3Å; D358-R369 PolarHBondContact OD2-N 2.93Å; D358-R369 IonicContact OD2-NE 2.68Å; D358-R369 PolarHBondContact OD2-NE 3.15Å; D358-R369 IonicContact OD2-NH2 3.7Å; D358-R369 PolarHBondContact OD2-NH2 3.06Å
359	K	96.8	Very high	97.9	Very high	80 Å²	80	29.7 Å²	29.7	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.3	177.6	-61.9	-173.3	178.8	-161.7	0	113.4	E319 W478 E481	E319-K359 WeakPolarHBondContact OE1-CD 3.33Å; E319-K359 WeakPolarHBondContact OE1-CE 3.17Å; E319-K359 WeakPolarHBondContact OE1-CG 3.24Å; E319-K359 IonicContact OE1-NZ 2.68Å; E319-K359 PolarHBondContact OE1-NZ 3.39Å; E319-K359 VanDerWaalsContact OE1-NZ 3.13Å; E319-K359 IonicContact OE2-NZ 3.59Å; E319-K359 PolarHBondContact OE2-NZ 3.18Å; K359-W478 HydrophobicContact CB-CH2 4.31Å; K359-W478 HydrophobicContact CB-CZ2 4.49Å; K359-W478 HydrophobicContact CD-CH2 4.49Å; K359-W478 HydrophobicContact CD-CZ2 3.93Å; K359-W478 HydrophobicContact CG-CH2 3.42Å; K359-W478 VanDerWaalsContact CG-CH2 3.42Å; K359-W478 HydrophobicContact CG-CZ2 3.23Å; K359-E481 VanDerWaalsContact CE-OE1 3.25Å; K359-E481 WeakPolarHBondContact CE-OE1 3.37Å; K359-E481 WeakPolarHBondContact CE-OE2 3.39Å; K359-E481 IonicContact NZ-OE1 3.18Å; K359-E481 PolarHBondContact NZ-OE1 3.45Å; K359-E481 IonicContact NZ-OE2 3.52Å; K359-E481 PolarHBondContact NZ-OE2 3.26Å
360	T	96.9	Very high	97.8	Very high	106 Å²	106	30.3 Å²	30.3	65%	0.65	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	10	-169.7	65.3	0	0	0	0	112.4	D358 P362 R369	D358-T360 PolarHBondContact O-N 2.04Å; D358-T360 VanDerWaalsContact O-N 3.11Å; D358-T360 PolarHBondContact OD1-N 2.98Å; D358-T360 PolarHBondContact OD1-OG1 2.81Å; T360-P362 WeakPolarHBondContact O-CD 3.41Å; T360-R369 VanDerWaalsContact C-NH2 3.32Å; T360-R369 PolarHBondContact O-NH2 3.21Å; T360-R369 VanDerWaalsContact O-NH2 3.15Å; T360-R369 PolarHBondContact OG1-NH2 2.98Å
361	S	97.7	Very high	97.8	Very high	11 Å²	11	29.4 Å²	29.4	8%	0.077	16%	0.162	C	C	.	.			trans	-61.9	121	179.2	-177	0	0	0	0	109.7	D358 Y363 G364 H367	D358-S361 PolarHBondContact O-N 3.3Å; D358-S361 PolarHBondContact OD1-N 3.18Å; S361-Y363 PolarHBondContact O-N 3.34Å; S361-Y363 VanDerWaalsContact O-N 3.16Å; S361-Y363 PolarHBondContact OG-N 2.88Å; S361-G364 VanDerWaalsContact CB-O 3.29Å; S361-G364 WeakPolarHBondContact CB-O 3.39Å; S361-G364 PolarHBondContact O-N 2.71Å; S361-G364 VanDerWaalsContact O-N 3.15Å; S361-G364 PolarHBondContact OG-O 3.39Å; S361-H367 WeakPolarHBondContact CB-O 3.31Å; S361-H367 PolarHBondContact OG-O 3.38Å
362	P	97.4	Very high	97.8	Very high	92 Å²	92	30.5 Å²	30.5	60%	0.597	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.5	176.7	31.4	-35.1	0	0	0	112.1	T360	T360-P362 WeakPolarHBondContact O-CD 3.41Å
363	Y	96.8	Very high	97.8	Very high	102 Å²	102	31.7 Å²	31.7	40%	0.4	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	9	177.4	-50.1	-74.9	0	0	0	112.2	F120 Q124 S361 H367 R369	F120-Y363 AromaticContact CE2-CD2 3.69Å; F120-Y363 HydrophobicContact CE2-CD2 3.69Å; F120-Y363 HydrophobicContact CE2-CE2 4.4Å; F120-Y363 AromaticContact CE2-CG 3.8Å; F120-Y363 HydrophobicContact CE2-CG 3.8Å; F120-Y363 AromaticContact CZ-CD2 3.44Å; F120-Y363 HydrophobicContact CZ-CD2 3.44Å; F120-Y363 VanDerWaalsContact CZ-CD2 3.44Å; F120-Y363 AromaticContact CZ-CE2 3.92Å; F120-Y363 HydrophobicContact CZ-CE2 3.92Å; F120-Y363 HydrophobicContact CZ-CG 4.05Å; Q124-Y363 HydrophobicContact CB-CD2 4.42Å; Q124-Y363 HydrophobicContact CB-CE2 3.78Å; Q124-Y363 HydrophobicContact CG-CE1 4.05Å; Q124-Y363 HydrophobicContact CG-CE2 4.11Å; S361-Y363 PolarHBondContact O-N 3.34Å; S361-Y363 VanDerWaalsContact O-N 3.16Å; S361-Y363 PolarHBondContact OG-N 2.88Å; Y363-H367 PolarHBondContact O-CD2 3.38Å; Y363-R369 HydrophobicContact CD2-CG 4.44Å
364	G	97.2	Very high	97.8	Very high	32 Å²	32	31.7 Å²	31.7	33%	0.33	17%	0.173	S	C	.	.			trans	96.4	146.4	-174.7	0	0	0	0	0	112	S361 I366 H367	S361-G364 VanDerWaalsContact CB-O 3.29Å; S361-G364 WeakPolarHBondContact CB-O 3.39Å; S361-G364 PolarHBondContact O-N 2.71Å; S361-G364 VanDerWaalsContact O-N 3.15Å; S361-G364 PolarHBondContact OG-O 3.39Å; G364-I366 PolarHBondContact O-N 3.43Å; G364-I366 VanDerWaalsContact O-N 3.1Å; G364-H367 PolarHBondContact O-N 2.87Å
365	T	97.1	Very high	97.9	Very high	41 Å²	41	31.7 Å²	31.7	25%	0.252	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	-175.3	52	0	0	0	0	114	Y317 H367	Y317-T365 WeakPolarHBondContact O-CB 3.41Å; Y317-T365 PolarHBondContact O-OG1 3.23Å; T365-H367 PolarHBondContact O-N 3.43Å
366	I	97.4	Very high	97.9	Very high	33 Å²	33	35.9 Å²	35.9	17%	0.169	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	172.1	-168.4	165.3	0	0	0	113.8	N117 E270 Y317 F326 G364 P368	N117-I366 PolarHBondContact ND2-O 3.11Å; E270-I366 HydrophobicContact CB-CD1 4Å; E270-I366 HydrophobicContact CG-CD1 4.1Å; E270-I366 HydrophobicContact CG-CG1 4.12Å; Y317-I366 HydrophobicContact CD1-CD1 4.01Å; Y317-I366 HydrophobicContact CD2-CB 3.54Å; Y317-I366 HydrophobicContact CD2-CD1 4.26Å; Y317-I366 HydrophobicContact CD2-CG1 4.28Å; Y317-I366 HydrophobicContact CD2-CG2 4.3Å; Y317-I366 HydrophobicContact CE1-CD1 4.3Å; Y317-I366 HydrophobicContact CE2-CB 4.06Å; Y317-I366 HydrophobicContact CE2-CG2 4.34Å; Y317-I366 HydrophobicContact CG-CB 3.93Å; Y317-I366 HydrophobicContact CG-CD1 3.98Å; Y317-I366 HydrophobicContact CG-CG1 4.17Å; F326-I366 HydrophobicContact CZ-CD1 4Å; F326-I366 HydrophobicContact CZ-CG1 4.23Å; G364-I366 PolarHBondContact O-N 3.43Å; G364-I366 VanDerWaalsContact O-N 3.1Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; I366-P368 WeakPolarHBondContact O-CD 3.43Å
367	H	98.3	Very high	97.9	Very high	34 Å²	34	36 Å²	36	16%	0.157	19%	0.193	C	C	.	.	S	Bend	trans	-114.9	78.5	-177.2	-63.1	-25.3	0	0	0	110.4	S116 N117 F120 S361 Y363 G364 T365 R369	S116-H367 PolarHBondContact OG-CE1 3.08Å; N117-H367 PolarHBondContact ND2-ND1 3.33Å; F120-H367 HydrophobicContact CD2-CB 4.19Å; F120-H367 HydrophobicContact CE2-CB 3.78Å; S361-H367 WeakPolarHBondContact CB-O 3.31Å; S361-H367 PolarHBondContact OG-O 3.38Å; Y363-H367 PolarHBondContact O-CD2 3.38Å; G364-H367 PolarHBondContact O-N 2.87Å; T365-H367 PolarHBondContact O-N 3.43Å; H367-R369 PolarHBondContact O-N 3.09Å
368	P	98	Very high	98	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	19%	0.19	C	C	.	.			trans	-66.9	133.2	178.4	28	-35.7	0	0	0	111.4	L356 D358 I366 K371	L356-P368 WeakPolarHBondContact O-CB 3.5Å; D358-P368 HydrophobicContact CB-CB 3.98Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; I366-P368 WeakPolarHBondContact O-CD 3.43Å; P368-K371 WeakPolarHBondContact O-CE 3.41Å; P368-K371 PolarHBondContact O-NZ 2.92Å
369	R	98.5	Very high	98	Very high	42 Å²	42	35.5 Å²	35.5	16%	0.158	19%	0.19	C	C	.	.	S	Bend	trans	-80.3	-16.8	-177.4	-68.4	175.1	-72.6	-179.2	-1.8	114.2	F120 Q124 I125 F126 D358 T360 Y363 H367 K371	F120-R369 HydrophobicContact CE1-CG 4.11Å; F120-R369 HydrophobicContact CZ-CG 3.93Å; Q124-R369 VanDerWaalsContact O-CG 3.32Å; Q124-R369 WeakPolarHBondContact O-CG 3.44Å; I125-R369 WeakPolarHBondContact CA-O 3.25Å; I125-R369 WeakPolarHBondContact CB-O 3.38Å; F126-R369 HydrophobicContact CD1-CB 3.95Å; F126-R369 HydrophobicContact CD2-CB 3.89Å; F126-R369 HydrophobicContact CE1-CB 3.93Å; F126-R369 HydrophobicContact CE2-CB 3.87Å; F126-R369 HydrophobicContact CG-CB 3.92Å; F126-R369 HydrophobicContact CZ-CB 3.89Å; F126-R369 PolarHBondContact N-O 3.48Å; D358-R369 IonicContact OD1-CZ 2.79Å; D358-R369 IonicContact OD1-NH2 2.7Å; D358-R369 PolarHBondContact OD1-NH2 3.08Å; D358-R369 IonicContact OD2-CZ 3.3Å; D358-R369 PolarHBondContact OD2-N 2.93Å; D358-R369 IonicContact OD2-NE 2.68Å; D358-R369 PolarHBondContact OD2-NE 3.15Å; D358-R369 IonicContact OD2-NH2 3.7Å; D358-R369 PolarHBondContact OD2-NH2 3.06Å; T360-R369 VanDerWaalsContact C-NH2 3.32Å; T360-R369 PolarHBondContact O-NH2 3.21Å; T360-R369 VanDerWaalsContact O-NH2 3.15Å; T360-R369 PolarHBondContact OG1-NH2 2.98Å; Y363-R369 HydrophobicContact CD2-CG 4.44Å; H367-R369 PolarHBondContact O-N 3.09Å; R369-K371 PolarHBondContact O-N 2.76Å
370	D	98.4	Very high	98.1	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	18%	0.179	C	C	.	.			trans	-75.6	88.1	174.2	-175.9	4.9	0	0	0	110.5	F126 Q372 D373 F482	F126-D370 HydrophobicContact CD2-CB 4Å; F126-D370 HydrophobicContact CE2-CB 4.35Å; D370-Q372 PolarHBondContact OD1-N 3.25Å; D370-D373 PolarHBondContact OD1-N 3.19Å; D370-D373 VanDerWaalsContact OD1-N 3.09Å; D370-D373 VanDerWaalsContact OD2-OD2 3.13Å; D370-F482 HydrophobicContact CB-CE2 4.1Å; D370-F482 VanDerWaalsContact OD2-CE2 3.28Å; D370-F482 WeakPolarHBondContact OD2-CE2 3.32Å; D370-F482 WeakPolarHBondContact OD2-CZ 3.27Å
371	K	98.5	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.			trans	-92.9	-11.9	171.6	-60.5	-55.4	-169.7	-139.5	0	112	N117 F120 I125 L182 P368 R369 A375	N117-K371 WeakPolarHBondContact O-CE 3.24Å; N117-K371 PolarHBondContact OD1-NZ 2.77Å; F120-K371 HydrophobicContact CD1-CG 4.48Å; I125-K371 HydrophobicContact CB-CB 4.48Å; I125-K371 HydrophobicContact CB-CG 4.35Å; I125-K371 HydrophobicContact CG2-CB 3.79Å; I125-K371 HydrophobicContact CG2-CG 3.34Å; L182-K371 HydrophobicContact CD1-CB 3.81Å; P368-K371 WeakPolarHBondContact O-CE 3.41Å; P368-K371 PolarHBondContact O-NZ 2.92Å; R369-K371 PolarHBondContact O-N 2.76Å; K371-A375 WeakPolarHBondContact O-CB 3.36Å; K371-A375 PolarHBondContact O-N 3.28Å
372	Q	98.4	Very high	98.2	Very high	23 Å²	23	27.2 Å²	27.2	11%	0.107	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-49.5	178.8	-74.5	84.2	-9.8	0	0	111.5	F126 L182 D370 V374 A375 H376	F126-Q372 PolarHBondContact O-NE2 2.85Å; L182-Q372 HydrophobicContact CD1-CG 4.19Å; L182-Q372 HydrophobicContact CD2-CG 4.43Å; D370-Q372 PolarHBondContact OD1-N 3.25Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; Q372-A375 PolarHBondContact O-N 3.17Å; Q372-H376 VanDerWaalsContact O-CB 3.25Å; Q372-H376 WeakPolarHBondContact O-CB 3.27Å; Q372-H376 PolarHBondContact O-N 3.08Å
373	D	98.5	Very high	98.3	Very high	35 Å²	35	24.8 Å²	24.8	19%	0.187	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-37.7	178.4	-86.4	-87.2	0	0	0	111.9	L356 D370 H376 R377 K483	L356-D373 HydrophobicContact CD1-CB 3.64Å; L356-D373 HydrophobicContact CD2-CB 4.11Å; D370-D373 PolarHBondContact OD1-N 3.19Å; D370-D373 VanDerWaalsContact OD1-N 3.09Å; D370-D373 VanDerWaalsContact OD2-OD2 3.13Å; D373-H376 PolarHBondContact O-N 3.25Å; D373-R377 WeakPolarHBondContact O-CB 3.49Å; D373-R377 VanDerWaalsContact O-CG 3.23Å; D373-R377 WeakPolarHBondContact O-CG 3.41Å; D373-R377 PolarHBondContact O-N 2.81Å; D373-K483 VanDerWaalsContact OD1-CE 3.24Å; D373-K483 WeakPolarHBondContact OD1-CE 3.17Å; D373-K483 IonicContact OD1-NZ 3.39Å; D373-K483 PolarHBondContact OD1-NZ 2.92Å; D373-K483 VanDerWaalsContact OD2-CE 3.23Å; D373-K483 WeakPolarHBondContact OD2-CE 3.47Å; D373-K483 IonicContact OD2-NZ 3.77Å; D373-K483 PolarHBondContact OD2-NZ 3.08Å
374	V	98.7	Very high	98.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-51.6	174.5	-178.1	0	0	0	0	110.8	L179 V312 A351 A353 L356 Q372 H376 R377 L378	L179-V374 HydrophobicContact CD1-CB 4.19Å; L179-V374 HydrophobicContact CD1-CG1 3.79Å; L179-V374 HydrophobicContact CD2-CG1 4.14Å; V312-V374 HydrophobicContact CB-CG1 4.22Å; V312-V374 HydrophobicContact CG1-CG1 3.63Å; V312-V374 HydrophobicContact CG2-CG1 3.47Å; V312-V374 VanDerWaalsContact CG2-CG1 3.47Å; A351-V374 HydrophobicContact CB-CG1 4.27Å; A353-V374 HydrophobicContact CB-CG2 4.15Å; L356-V374 HydrophobicContact CD1-CG2 3.74Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; V374-H376 VanDerWaalsContact C-N 3.32Å; V374-H376 PolarHBondContact O-N 3.1Å; V374-R377 PolarHBondContact O-N 2.87Å; V374-L378 PolarHBondContact O-N 2.86Å
375	A	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-38.5	178.8	0	0	0	0	0	112.2	L179 L182 Y186 K371 Q372 L378 T379	L179-A375 HydrophobicContact CD1-CB 3.79Å; L182-A375 HydrophobicContact CB-CB 3.46Å; L182-A375 VanDerWaalsContact CB-CB 3.46Å; L182-A375 HydrophobicContact CD1-CB 4.32Å; Y186-A375 HydrophobicContact CD2-CB 4.04Å; Y186-A375 HydrophobicContact CE2-CB 3.8Å; K371-A375 WeakPolarHBondContact O-CB 3.36Å; K371-A375 PolarHBondContact O-N 3.28Å; Q372-A375 PolarHBondContact O-N 3.17Å; A375-L378 PolarHBondContact O-N 3.17Å; A375-T379 WeakPolarHBondContact O-CB 3.4Å; A375-T379 PolarHBondContact O-N 3.4Å; A375-T379 PolarHBondContact O-OG1 3.39Å
376	H	98.6	Very high	98.5	Very high	87 Å²	87	19.3 Å²	19.3	40%	0.403	10%	0.097	S	C	.	.	H	α-helix	trans	-61.2	-48.5	175.9	-179.8	69.2	0	0	0	111.1	Y186 Q372 D373 V374 L378 T379 L380	Y186-H376 HydrophobicContact CE2-CB 4.35Å; Q372-H376 VanDerWaalsContact O-CB 3.25Å; Q372-H376 WeakPolarHBondContact O-CB 3.27Å; Q372-H376 PolarHBondContact O-N 3.08Å; D373-H376 PolarHBondContact O-N 3.25Å; V374-H376 VanDerWaalsContact C-N 3.32Å; V374-H376 PolarHBondContact O-N 3.1Å; H376-L378 PolarHBondContact O-N 3.43Å; H376-T379 WeakPolarHBondContact O-CB 3.4Å; H376-T379 PolarHBondContact O-N 2.84Å; H376-T379 VanDerWaalsContact O-N 3.15Å; H376-L380 WeakPolarHBondContact O-CG 3.02Å; H376-L380 PolarHBondContact O-N 3.13Å
377	R	98.7	Very high	98.5	Very high	6 Å²	6	20.2 Å²	20.2	2%	0.023	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-41.9	177.8	-69.8	169.7	-177.6	177.3	1.8	112	A351 V352 D355 D373 V374 T379 L380 G381 N493 L494 P495	A351-R377 HydrophobicContact CB-CB 3.67Å; V352-R377 WeakPolarHBondContact O-CD 3.35Å; V352-R377 PolarHBondContact O-NH1 3.05Å; D355-R377 IonicContact OD1-CZ 3.41Å; D355-R377 IonicContact OD1-NH1 3.13Å; D355-R377 PolarHBondContact OD1-NH1 3.44Å; D355-R377 IonicContact OD1-NH2 2.9Å; D355-R377 PolarHBondContact OD1-NH2 3.17Å; D355-R377 IonicContact OD2-CZ 2.74Å; D355-R377 IonicContact OD2-NH1 3.94Å; D355-R377 IonicContact OD2-NH2 3.66Å; D355-R377 PolarHBondContact OD2-NH2 3.28Å; D373-R377 WeakPolarHBondContact O-CB 3.49Å; D373-R377 VanDerWaalsContact O-CG 3.23Å; D373-R377 WeakPolarHBondContact O-CG 3.41Å; D373-R377 PolarHBondContact O-N 2.81Å; V374-R377 PolarHBondContact O-N 2.87Å; R377-T379 VanDerWaalsContact C-N 3.33Å; R377-T379 PolarHBondContact O-N 3.01Å; R377-L380 PolarHBondContact O-N 2.95Å; R377-G381 PolarHBondContact O-N 3.33Å; R377-G381 VanDerWaalsContact O-N 3.09Å; R377-N493 PolarHBondContact NH2-O 3.4Å; R377-L494 HydrophobicContact CG-CD2 3.91Å; R377-P495 VanDerWaalsContact CZ-CD 3.48Å
378	L	98.8	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-40.9	172.5	-75.1	-177.8	0	0	0	112.1	L179 F183 I265 F311 V312 F349 A351 V374 A375 H376 G381 A382	L179-L378 HydrophobicContact CD1-CD1 4.06Å; L179-L378 HydrophobicContact CD2-CD1 4.25Å; L179-L378 HydrophobicContact CG-CD1 4.4Å; F183-L378 HydrophobicContact CD2-CB 3.93Å; F183-L378 HydrophobicContact CE2-CB 4.27Å; I265-L378 HydrophobicContact CB-CD1 4.41Å; I265-L378 HydrophobicContact CD1-CD1 4.41Å; I265-L378 HydrophobicContact CG2-CD1 4.45Å; F311-L378 WeakPolarHBondContact O-CD2 3.33Å; V312-L378 HydrophobicContact CG2-CD1 3.93Å; V312-L378 HydrophobicContact CG2-CD2 4.42Å; V312-L378 HydrophobicContact CG2-CG 4.36Å; F349-L378 HydrophobicContact CD2-CD2 4.12Å; F349-L378 HydrophobicContact CE2-CB 4.35Å; F349-L378 HydrophobicContact CE2-CD2 3.98Å; F349-L378 VanDerWaalsContact CE2-O 3.28Å; F349-L378 WeakPolarHBondContact CE2-O 3.4Å; A351-L378 HydrophobicContact CB-CD2 3.77Å; A351-L378 HydrophobicContact CB-CG 3.77Å; V374-L378 PolarHBondContact O-N 2.86Å; A375-L378 PolarHBondContact O-N 3.17Å; H376-L378 PolarHBondContact O-N 3.43Å; L378-G381 PolarHBondContact O-N 3.41Å; L378-A382 WeakPolarHBondContact O-CB 3.15Å; L378-A382 PolarHBondContact O-N 2.81Å
379	T	98.7	Very high	98.5	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-40.5	178.7	-60.5	0	0	0	0	111.6	Y186 M187 A375 H376 R377 G381 A382 R383	Y186-T379 WeakPolarHBondContact CB-OG1 3.31Å; M187-T379 HydrophobicContact SD-CG2 3.72Å; A375-T379 WeakPolarHBondContact O-CB 3.4Å; A375-T379 PolarHBondContact O-N 3.4Å; A375-T379 PolarHBondContact O-OG1 3.39Å; H376-T379 WeakPolarHBondContact O-CB 3.4Å; H376-T379 PolarHBondContact O-N 2.84Å; H376-T379 VanDerWaalsContact O-N 3.15Å; R377-T379 VanDerWaalsContact C-N 3.33Å; R377-T379 PolarHBondContact O-N 3.01Å; T379-G381 VanDerWaalsContact C-N 3.32Å; T379-G381 PolarHBondContact O-N 3.24Å; T379-A382 PolarHBondContact O-N 2.88Å; T379-R383 HydrophobicContact CG2-CG 4.46Å; T379-R383 WeakPolarHBondContact O-CB 3.44Å; T379-R383 VanDerWaalsContact O-CG 3.25Å; T379-R383 WeakPolarHBondContact O-CG 3.31Å; T379-R383 PolarHBondContact O-N 2.96Å
380	L	98.6	Very high	98.4	Very high	22 Å²	22	30.8 Å²	30.8	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-45.7	172.9	-66	172.6	0	0	0	110.8	H376 R377 R383 A384 I392 F394 L494	H376-L380 WeakPolarHBondContact O-CG 3.02Å; H376-L380 PolarHBondContact O-N 3.13Å; R377-L380 PolarHBondContact O-N 2.95Å; L380-R383 PolarHBondContact O-N 3.33Å; L380-A384 WeakPolarHBondContact O-CB 3.36Å; L380-A384 PolarHBondContact O-N 2.93Å; L380-I392 HydrophobicContact CB-CG2 4.21Å; L380-I392 HydrophobicContact CD2-CG2 3.85Å; L380-F394 HydrophobicContact CB-CB 3.79Å; L380-L494 HydrophobicContact CD1-CD2 4.06Å
381	G	98.6	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-47	176.6	0	0	0	0	0	113	R377 L378 T379 A384 V385	R377-G381 PolarHBondContact O-N 3.33Å; R377-G381 VanDerWaalsContact O-N 3.09Å; L378-G381 PolarHBondContact O-N 3.41Å; T379-G381 VanDerWaalsContact C-N 3.32Å; T379-G381 PolarHBondContact O-N 3.24Å; G381-A384 PolarHBondContact O-N 3.06Å; G381-V385 VanDerWaalsContact O-CB 3.28Å; G381-V385 WeakPolarHBondContact O-CB 3.12Å; G381-V385 PolarHBondContact O-N 2.71Å
382	A	98.8	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-60.5	-48.4	176.9	0	0	0	0	0	111.2	W110 F183 M187 F349 L378 T379 A384 A386 Y387	W110-A382 HydrophobicContact CH2-CB 4.35Å; F183-A382 HydrophobicContact CE2-CB 3.8Å; F183-A382 HydrophobicContact CZ-CB 3.94Å; M187-A382 HydrophobicContact SD-CB 3.85Å; F349-A382 HydrophobicContact CE1-CB 4.27Å; F349-A382 HydrophobicContact CE2-CB 3.99Å; F349-A382 HydrophobicContact CZ-CB 3.74Å; L378-A382 WeakPolarHBondContact O-CB 3.15Å; L378-A382 PolarHBondContact O-N 2.81Å; T379-A382 PolarHBondContact O-N 2.88Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.42Å; A382-A386 HydrophobicContact CB-CB 4.42Å; A382-A386 CarbonylContact O-C 3.16Å; A382-A386 VanDerWaalsContact O-CA 3.27Å; A382-A386 WeakPolarHBondContact O-CA 3.43Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.23Å; A382-Y387 WeakPolarHBondContact O-CD2 3.4Å; A382-Y387 PolarHBondContact O-N 2.74Å
383	R	98.7	Very high	97.6	Very high	41 Å²	41	37.3 Å²	37.3	16%	0.155	22%	0.216	C	C	.	.	I	π-helix	trans	-58.3	-45.3	178.4	-70.8	168.3	66.8	-155.1	0.4	112.1	M187 T379 L380 Y387 G388 E389 I392	M187-R383 HydrophobicContact CE-CG 4.34Å; M187-R383 HydrophobicContact SD-CG 4.35Å; T379-R383 HydrophobicContact CG2-CG 4.46Å; T379-R383 WeakPolarHBondContact O-CB 3.44Å; T379-R383 VanDerWaalsContact O-CG 3.25Å; T379-R383 WeakPolarHBondContact O-CG 3.31Å; T379-R383 PolarHBondContact O-N 2.96Å; L380-R383 PolarHBondContact O-N 3.33Å; R383-Y387 CarbonylContact O-C 3.48Å; R383-G388 PolarHBondContact O-N 3.39Å; R383-E389 HydrophobicContact CB-CB 4.33Å; R383-E389 IonicContact CZ-OE1 3.6Å; R383-E389 IonicContact CZ-OE2 3.06Å; R383-E389 IonicContact NE-OE1 3.44Å; R383-E389 IonicContact NE-OE2 3.43Å; R383-E389 PolarHBondContact NE-OE2 3.2Å; R383-E389 IonicContact NH2-OE1 2.67Å; R383-E389 PolarHBondContact NH2-OE1 2.71Å; R383-E389 IonicContact NH2-OE2 3.36Å; R383-E389 PolarHBondContact NH2-OE2 3.3Å; R383-E389 VanDerWaalsContact NH2-OE2 3.1Å; R383-E389 VanDerWaalsContact O-CB 3.25Å; R383-E389 WeakPolarHBondContact O-CB 3.13Å; R383-E389 PolarHBondContact O-N 3.38Å; R383-I392 HydrophobicContact CB-CD1 3.38Å; R383-I392 HydrophobicContact CG-CD1 4.33Å
384	A	98.4	Very high	97.5	Very high	18 Å²	18	37.3 Å²	37.3	15%	0.149	22%	0.215	C	C	.	.	I	π-helix	trans	-72.2	-45.2	-178.6	0	0	0	0	0	113.4	L380 G381 A382 G388 I392 F394	L380-A384 WeakPolarHBondContact O-CB 3.36Å; L380-A384 PolarHBondContact O-N 2.93Å; G381-A384 PolarHBondContact O-N 3.06Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.42Å; A384-G388 WeakPolarHBondContact O-CA 3.47Å; A384-G388 PolarHBondContact O-N 3.41Å; A384-I392 HydrophobicContact CB-CB 4.34Å; A384-I392 HydrophobicContact CB-CG2 4.44Å; A384-F394 HydrophobicContact CB-CB 4.29Å; A384-F394 HydrophobicContact CB-CD1 3.32Å; A384-F394 HydrophobicContact CB-CE1 3.7Å; A384-F394 HydrophobicContact CB-CG 3.81Å; A384-F394 HydrophobicContact CB-CZ 4.45Å
385	V	98.4	Very high	97.3	Very high	28 Å²	28	40.1 Å²	40.1	17%	0.17	23%	0.228	C	C	.	.	I	π-helix	trans	-93.6	-51.7	-171.4	178	0	0	0	0	111.6	N347 F349 G381 F394	N347-V385 VanDerWaalsContact OD1-CG1 3.28Å; N347-V385 WeakPolarHBondContact OD1-CG1 3.31Å; F349-V385 HydrophobicContact CB-CB 4.29Å; F349-V385 HydrophobicContact CB-CG2 4.06Å; F349-V385 HydrophobicContact CD1-CB 4.23Å; F349-V385 HydrophobicContact CD1-CG1 4.38Å; G381-V385 VanDerWaalsContact O-CB 3.28Å; G381-V385 WeakPolarHBondContact O-CB 3.12Å; G381-V385 PolarHBondContact O-N 2.71Å; V385-F394 HydrophobicContact CG2-CD2 4.35Å; V385-F394 HydrophobicContact CG2-CE1 4.39Å; V385-F394 HydrophobicContact CG2-CE2 3.58Å; V385-F394 HydrophobicContact CG2-CZ 3.61Å
386	A	98	Very high	97.2	Very high	14 Å²	14	40.5 Å²	40.5	12%	0.116	23%	0.232	C	C	.	.	I	π-helix	trans	-77	-36.6	-175.7	0	0	0	0	0	113.1	W110 Y262 P308 F349 A382	W110-A386 HydrophobicContact CH2-CB 4.08Å; W110-A386 HydrophobicContact CZ2-CB 4.38Å; Y262-A386 HydrophobicContact CE1-CB 4.09Å; Y262-A386 PolarHBondContact OH-O 2.71Å; P308-A386 HydrophobicContact CB-CB 3.4Å; P308-A386 VanDerWaalsContact CB-CB 3.4Å; P308-A386 HydrophobicContact CG-CB 3.66Å; F349-A386 HydrophobicContact CE1-CB 4.48Å; A382-A386 HydrophobicContact CB-CB 4.42Å; A382-A386 CarbonylContact O-C 3.16Å; A382-A386 VanDerWaalsContact O-CA 3.27Å; A382-A386 WeakPolarHBondContact O-CA 3.43Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.23Å
387	Y	98.1	Very high	97.2	Very high	53 Å²	53	36.3 Å²	36.3	21%	0.208	21%	0.213	C	C	.	.	S	Bend	trans	-107	-2.7	-179	-63.2	-85	0	0	0	113.6	D108 W110 M187 L191 Y193 Y262 A382 R383 E389	D108-Y387 WeakPolarHBondContact OD2-CE1 3.46Å; D108-Y387 PolarHBondContact OD2-OH 3.12Å; D108-Y387 VanDerWaalsContact OD2-OH 3.1Å; W110-Y387 AromaticContact CZ2-CE2 4Å; W110-Y387 HydrophobicContact CZ2-CE2 4Å; W110-Y387 PolarHBondContact NE1-OH 3.18Å; M187-Y387 HydrophobicContact CE-CD2 3.68Å; M187-Y387 HydrophobicContact CE-CE2 3.17Å; M187-Y387 HydrophobicContact SD-CE2 4.48Å; L191-Y387 HydrophobicContact CD1-CE1 3.89Å; L191-Y387 HydrophobicContact CD1-CE2 4.14Å; L191-Y387 WeakPolarHBondContact CD1-OH 3.48Å; L191-Y387 HydrophobicContact CD2-CD1 3.94Å; L191-Y387 HydrophobicContact CD2-CE1 3.95Å; L191-Y387 HydrophobicContact CD2-CG 4.31Å; Y193-Y387 VanDerWaalsContact OH-CE1 3.26Å; Y193-Y387 WeakPolarHBondContact OH-CE1 3.36Å; Y262-Y387 HydrophobicContact CE1-CD1 4.35Å; Y262-Y387 HydrophobicContact CE1-CD2 4.49Å; Y262-Y387 AromaticContact CE1-CE1 3.67Å; Y262-Y387 HydrophobicContact CE1-CE1 3.67Å; Y262-Y387 AromaticContact CE1-CE2 3.83Å; Y262-Y387 HydrophobicContact CE1-CE2 3.83Å; Y262-Y387 AromaticContact CE1-CZ 3.39Å; Y262-Y387 HydrophobicContact CE2-CE1 4.23Å; Y262-Y387 AromaticContact CZ-CD1 3.98Å; Y262-Y387 AromaticContact CZ-CE1 3.49Å; Y262-Y387 VanDerWaalsContact CZ-CE1 3.49Å; Y262-Y387 AromaticContact CZ-CZ 3.76Å; Y262-Y387 WeakPolarHBondContact OH-CD1 3.34Å; Y262-Y387 WeakPolarHBondContact OH-CE1 3.07Å; A382-Y387 WeakPolarHBondContact O-CD2 3.4Å; A382-Y387 PolarHBondContact O-N 2.74Å; R383-Y387 CarbonylContact O-C 3.48Å; Y387-E389 PolarHBondContact O-N 3.35Å
388	G	97.4	Very high	97.1	Very high	35 Å²	35	37 Å²	37	36%	0.361	22%	0.216	S	C	.	.			trans	67.2	16.7	175.4	0	0	0	0	0	115.1	R383 A384 K390	R383-G388 PolarHBondContact O-N 3.39Å; A384-G388 WeakPolarHBondContact O-CA 3.47Å; A384-G388 PolarHBondContact O-N 3.41Å; G388-K390 WeakPolarHBondContact O-CE 3.32Å; G388-K390 PolarHBondContact O-N 2.68Å
389	E	97.9	Very high	97	Very high	85 Å²	85	37.2 Å²	37.2	40%	0.397	22%	0.217	S	C	.	.			trans	-62.2	128.1	-179.1	-167.3	178.7	157.7	0	0	110.4	R383 Y387 I392	R383-E389 HydrophobicContact CB-CB 4.33Å; R383-E389 IonicContact CZ-OE1 3.6Å; R383-E389 IonicContact CZ-OE2 3.06Å; R383-E389 IonicContact NE-OE1 3.44Å; R383-E389 IonicContact NE-OE2 3.43Å; R383-E389 PolarHBondContact NE-OE2 3.2Å; R383-E389 IonicContact NH2-OE1 2.67Å; R383-E389 PolarHBondContact NH2-OE1 2.71Å; R383-E389 IonicContact NH2-OE2 3.36Å; R383-E389 PolarHBondContact NH2-OE2 3.3Å; R383-E389 VanDerWaalsContact NH2-OE2 3.1Å; R383-E389 VanDerWaalsContact O-CB 3.25Å; R383-E389 WeakPolarHBondContact O-CB 3.13Å; R383-E389 PolarHBondContact O-N 3.38Å; Y387-E389 PolarHBondContact O-N 3.35Å; E389-I392 HydrophobicContact CB-CD1 3.78Å; E389-I392 HydrophobicContact CB-CG1 4.48Å; E389-I392 HydrophobicContact CG-CD1 3.73Å; E389-I392 HydrophobicContact CG-CG1 4.19Å; E389-I392 WeakPolarHBondContact OE2-CD1 3.45Å
390	K	96.6	Very high	96.9	Very high	181 Å²	181	43.4 Å²	43.4	79%	0.787	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	150.6	-174.7	-56.8	-56.2	-179.9	-167.4	0	111.4	G388 I392	G388-K390 WeakPolarHBondContact O-CE 3.32Å; G388-K390 PolarHBondContact O-N 2.68Å; K390-I392 VanDerWaalsContact C-N 3.29Å; K390-I392 PolarHBondContact O-N 2.79Å
391	G	92.6	Very high	96.8	Very high	88 Å²	88	45.2 Å²	45.2	91%	0.907	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	8.5	174.9	0	0	0	0	0	115
392	I	93.3	Very high	96.7	Very high	29 Å²	29	45.2 Å²	45.2	15%	0.149	26%	0.256	C	S	.	.			trans	-87.3	125.9	171.7	-62.2	-177.3	0	0	0	109.5	L380 R383 A384 E389 K390 F394	L380-I392 HydrophobicContact CB-CG2 4.21Å; L380-I392 HydrophobicContact CD2-CG2 3.85Å; R383-I392 HydrophobicContact CB-CD1 3.38Å; R383-I392 HydrophobicContact CG-CD1 4.33Å; A384-I392 HydrophobicContact CB-CB 4.34Å; A384-I392 HydrophobicContact CB-CG2 4.44Å; E389-I392 HydrophobicContact CB-CD1 3.78Å; E389-I392 HydrophobicContact CB-CG1 4.48Å; E389-I392 HydrophobicContact CG-CD1 3.73Å; E389-I392 HydrophobicContact CG-CG1 4.19Å; E389-I392 WeakPolarHBondContact OE2-CD1 3.45Å; K390-I392 VanDerWaalsContact C-N 3.29Å; K390-I392 PolarHBondContact O-N 2.79Å; I392-F394 HydrophobicContact CG2-CB 4.36Å
393	S	93.6	Very high	96.4	Very high	54 Å²	54	48.5 Å²	48.5	38%	0.378	28%	0.275	S	S	.	.			trans	-80.9	125	161.7	-169.9	0	0	0	0	109.4
394	F	96	Very high	96.1	Very high	35 Å²	35	47.9 Å²	47.9	15%	0.154	28%	0.276	C	S	.	.			trans	-134.8	-4.5	-179	74.6	-81.4	0	0	0	113.5	L380 A384 V385 I392	L380-F394 HydrophobicContact CB-CB 3.79Å; A384-F394 HydrophobicContact CB-CB 4.29Å; A384-F394 HydrophobicContact CB-CD1 3.32Å; A384-F394 HydrophobicContact CB-CE1 3.7Å; A384-F394 HydrophobicContact CB-CG 3.81Å; A384-F394 HydrophobicContact CB-CZ 4.45Å; V385-F394 HydrophobicContact CG2-CD2 4.35Å; V385-F394 HydrophobicContact CG2-CE1 4.39Å; V385-F394 HydrophobicContact CG2-CE2 3.58Å; V385-F394 HydrophobicContact CG2-CZ 3.61Å; I392-F394 HydrophobicContact CG2-CB 4.36Å
395	Q	95.1	Very high	95.5	Very high	60 Å²	60	49.5 Å²	49.5	28%	0.28	29%	0.287	S	S	.	.	S	Bend	trans	-118.1	139.9	176.9	-66.2	175.4	-28.4	0	0	109.4	V340 Q415	V340-Q395 PolarHBondContact O-NE2 3.11Å; Q395-Q415 PolarHBondContact O-NE2 3.13Å
396	G	96.9	Very high	94.8	Very high	8 Å²	8	56.1 Å²	56.1	8%	0.082	31%	0.313	C	S	.	.			trans	-73.4	167.9	167.3	0	0	0	0	0	112.1	F398 Q415 P495	G396-F398 PolarHBondContact O-N 3.33Å; G396-Q415 PolarHBondContact O-NE2 2.71Å; G396-Q415 VanDerWaalsContact O-NE2 3.08Å; G396-P495 WeakPolarHBondContact CA-O 3.24Å
397	P	97.6	Very high	94.4	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.333	C	S	.	.			trans	-63.3	133.8	-175.7	-21.4	32.7	0	0	0	112.2	Y413 Q415 I417 V487 Y488 D489 A496	P397-Y413 HydrophobicContact CB-CD1 3.54Å; P397-Y413 HydrophobicContact CB-CE1 4.26Å; P397-Y413 HydrophobicContact CB-CG 4.08Å; P397-Q415 VanDerWaalsContact CA-NE2 3.31Å; P397-Q415 HydrophobicContact CB-CG 3.88Å; P397-Q415 HydrophobicContact CG-CG 3.96Å; P397-I417 HydrophobicContact CB-CG2 3.6Å; P397-I417 HydrophobicContact CG-CG2 3.73Å; P397-V487 HydrophobicContact CB-CG1 4.44Å; P397-V487 HydrophobicContact CG-CG1 4.46Å; P397-Y488 WeakPolarHBondContact CG-O 3.43Å; P397-D489 VanDerWaalsContact CD-N 3.32Å; P397-D489 HydrophobicContact CG-CB 4.22Å; P397-A496 WeakPolarHBondContact O-CB 3.31Å
398	F	97.4	Very high	94.2	Very high	20 Å²	20	57.6 Å²	57.6	9%	0.088	33%	0.329	C	S	.	.			trans	-117.2	144	175	-161.2	-103.5	0	0	0	111.3	V337 F339 G396 K400 Y413 D414 P497 F499	V337-F398 VanDerWaalsContact O-CZ 3.29Å; V337-F398 WeakPolarHBondContact O-CZ 3.43Å; F339-F398 AromaticContact CD1-CD1 3.66Å; F339-F398 HydrophobicContact CD1-CD1 3.66Å; F339-F398 HydrophobicContact CD1-CD2 4.31Å; F339-F398 AromaticContact CD1-CE1 3.7Å; F339-F398 HydrophobicContact CD1-CE1 3.7Å; F339-F398 HydrophobicContact CD1-CE2 4.34Å; F339-F398 AromaticContact CD1-CG 3.98Å; F339-F398 HydrophobicContact CD1-CG 3.98Å; F339-F398 HydrophobicContact CD1-CZ 4.05Å; F339-F398 AromaticContact CE1-CD1 3.94Å; F339-F398 HydrophobicContact CE1-CD1 3.94Å; F339-F398 AromaticContact CE1-CE1 3.88Å; F339-F398 HydrophobicContact CE1-CE1 3.88Å; G396-F398 PolarHBondContact O-N 3.33Å; F398-K400 PolarHBondContact O-N 3.1Å; F398-Y413 WeakPolarHBondContact O-CA 3.12Å; F398-D414 PolarHBondContact N-OD1 3.29Å; F398-D414 PolarHBondContact O-N 2.92Å; F398-P497 HydrophobicContact CD2-CG 3.77Å; F398-P497 HydrophobicContact CE2-CG 4.24Å; F398-F499 HydrophobicContact CE2-CB 3.72Å; F398-F499 HydrophobicContact CE2-CG 4.5Å; F398-F499 HydrophobicContact CZ-CB 3.97Å
399	P	97.4	Very high	94.1	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	128.2	176.6	-25	34.2	0	0	0	112.3	I402 V411 Y413 F499	P399-I402 HydrophobicContact CB-CD1 4.39Å; P399-I402 HydrophobicContact CB-CG1 4.39Å; P399-V411 HydrophobicContact CB-CG1 3.94Å; P399-V411 HydrophobicContact CG-CG1 4.12Å; P399-Y413 HydrophobicContact CG-CE1 4.22Å; P399-F499 HydrophobicContact CG-CD1 3.55Å; P399-F499 HydrophobicContact CG-CD2 4.04Å; P399-F499 HydrophobicContact CG-CE1 3.28Å; P399-F499 HydrophobicContact CG-CE2 3.82Å; P399-F499 HydrophobicContact CG-CG 3.93Å; P399-F499 HydrophobicContact CG-CZ 3.44Å; P399-F499 VanDerWaalsContact CG-CZ 3.44Å
400	K	96.1	Very high	94.1	Very high	136 Å²	136	53.9 Å²	53.9	59%	0.591	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	-39.4	173.7	-172.9	178.2	179.5	174.5	0	112.1	F398 T412 D414	F398-K400 PolarHBondContact O-N 3.1Å; K400-T412 PolarHBondContact N-O 3.45Å; K400-D414 HydrophobicContact CB-CB 4.36Å
401	V	96.6	Very high	94.2	Very high	61 Å²	61	45.3 Å²	45.3	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.8	-179	-172.1	0	0	0	0	109.9	V403 T412 I509	V401-V403 HydrophobicContact CG1-CG2 3.72Å; V401-T412 PolarHBondContact N-O 3.42Å; V401-T412 VanDerWaalsContact N-O 3.11Å; V401-T412 PolarHBondContact O-N 2.84Å; V401-I509 CarbonylContact C-O 3.53Å; V401-I509 WeakPolarHBondContact CA-O 3.41Å
402	I	95.9	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.7	177.4	-58.5	172.3	0	0	0	108	P399 V409 N410 V411 L471 F499 A501 I509 W510	P399-I402 HydrophobicContact CB-CD1 4.39Å; P399-I402 HydrophobicContact CB-CG1 4.39Å; I402-V409 HydrophobicContact CG2-CG1 3.52Å; I402-N410 CarbonylContact C-O 3.6Å; I402-N410 VanDerWaalsContact CA-O 3.31Å; I402-N410 WeakPolarHBondContact CA-O 3.27Å; I402-V411 HydrophobicContact CG1-CG1 4.35Å; I402-L471 HydrophobicContact CD1-CD2 4.14Å; I402-L471 HydrophobicContact CG2-CD2 4.18Å; I402-F499 HydrophobicContact CD1-CE2 4.49Å; I402-A501 HydrophobicContact CD1-CB 3.5Å; I402-A501 VanDerWaalsContact CD1-CB 3.5Å; I402-I509 HydrophobicContact CD1-CD1 3.82Å; I402-I509 HydrophobicContact CD1-CG1 4.22Å; I402-I509 PolarHBondContact N-O 2.7Å; I402-W510 HydrophobicContact CB-CD2 4.19Å; I402-W510 HydrophobicContact CB-CE3 4.12Å; I402-W510 HydrophobicContact CB-CZ3 4.37Å; I402-W510 HydrophobicContact CD1-CZ2 4.37Å; I402-W510 HydrophobicContact CG2-CD2 4.1Å; I402-W510 HydrophobicContact CG2-CE3 3.69Å; I402-W510 HydrophobicContact CG2-CH2 3.61Å; I402-W510 HydrophobicContact CG2-CZ2 4Å; I402-W510 HydrophobicContact CG2-CZ3 3.44Å; I402-W510 VanDerWaalsContact CG2-CZ3 3.44Å
403	V	93.6	Very high	94.7	Very high	68 Å²	68	41.6 Å²	41.6	41%	0.412	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.8	-177.1	-173.1	0	0	0	0	110.3	V401 N410	V401-V403 HydrophobicContact CG1-CG2 3.72Å; V403-N410 PolarHBondContact N-O 3.29Å; V403-N410 PolarHBondContact O-N 3.32Å
404	P	90.5	Very high	94.8	Very high	28 Å²	28	42.8 Å²	42.8	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.9	169	26.1	-28.4	0	0	0	110.1	V409 W510	P404-V409 HydrophobicContact CB-CG2 4.41Å; P404-W510 HydrophobicContact CG-CZ3 4.35Å
405	S	86.9	Confident	94.8	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	108.5	-177.6	175.9	0	0	0	0	110.6	S407 T408	S405-S407 PolarHBondContact O-N 2.66Å; S405-T408 CarbonylContact C-O 3.53Å; S405-T408 PolarHBondContact N-O 3.23Å; S405-T408 PolarHBondContact O-N 3.33Å; S405-T408 VanDerWaalsContact O-O 3.09Å; S405-T408 PolarHBondContact O-OG1 3.15Å
406	K	83.4	Confident	95	Very high	168 Å²	168	42.1 Å²	42.1	73%	0.73	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	-133.5	-175	-57.2	179.6	-178.3	177.5	0	109.2	T408 P465	K406-T408 PolarHBondContact O-N 3.38Å; K406-P465 WeakPolarHBondContact O-CA 3.38Å; K406-P465 WeakPolarHBondContact O-CB 3.4Å; K406-P465 WeakPolarHBondContact O-CG 3.27Å
407	S	89.3	Confident	95	Very high	74 Å²	74	42.4 Å²	42.4	52%	0.517	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	24	-179.7	58.5	0	0	0	0	114.3	S405 A460	S405-S407 PolarHBondContact O-N 2.66Å; S407-A460 PolarHBondContact O-N 3.4Å
408	T	94.8	Very high	95.1	Very high	23 Å²	23	46.2 Å²	46.2	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.1	-177.4	63.7	0	0	0	0	112.2	S405 K406 Q457 L458	S405-T408 CarbonylContact C-O 3.53Å; S405-T408 PolarHBondContact N-O 3.23Å; S405-T408 PolarHBondContact O-N 3.33Å; S405-T408 VanDerWaalsContact O-O 3.09Å; S405-T408 PolarHBondContact O-OG1 3.15Å; K406-T408 PolarHBondContact O-N 3.38Å; T408-Q457 HydrophobicContact CG2-CG 3.98Å; T408-L458 CarbonylContact C-O 3.53Å; T408-L458 WeakPolarHBondContact CA-O 3.41Å; T408-L458 VanDerWaalsContact CB-O 3.29Å; T408-L458 WeakPolarHBondContact CB-O 3.41Å
409	V	95.6	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124	169.6	174.2	0	0	0	0	108.2	I402 P404 V411 L458 A460 V468 L471	I402-V409 HydrophobicContact CG2-CG1 3.52Å; P404-V409 HydrophobicContact CB-CG2 4.41Å; V409-V411 HydrophobicContact CG1-CG2 4.39Å; V409-L458 HydrophobicContact CB-CB 4.44Å; V409-L458 PolarHBondContact N-O 3.23Å; V409-L458 PolarHBondContact O-N 3.36Å; V409-A460 HydrophobicContact CG2-CB 4Å; V409-V468 HydrophobicContact CG2-CG1 4.07Å; V409-V468 HydrophobicContact CG2-CG2 4.24Å; V409-L471 HydrophobicContact CG1-CD2 4.27Å
410	N	96.9	Very high	95.1	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.3	176	-67.4	-18.8	0	0	0	109.7	I402 V403 T455 I456 Q457	I402-N410 CarbonylContact C-O 3.6Å; I402-N410 VanDerWaalsContact CA-O 3.31Å; I402-N410 WeakPolarHBondContact CA-O 3.27Å; V403-N410 PolarHBondContact N-O 3.29Å; V403-N410 PolarHBondContact O-N 3.32Å; N410-T455 HydrophobicContact CB-CG2 4.31Å; N410-I456 CarbonylContact C-O 3.51Å; N410-I456 WeakPolarHBondContact CA-O 3.42Å; N410-Q457 WeakPolarHBondContact OD1-CB 3.26Å; N410-Q457 VanDerWaalsContact OD1-CG 3.32Å; N410-Q457 WeakPolarHBondContact OD1-CG 3.23Å; N410-Q457 PolarHBondContact OD1-NE2 3.28Å
411	V	98	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.9	176.5	-174.3	0	0	0	0	108.3	P399 I402 V409 Y413 T455 I456 L458 L471	P399-V411 HydrophobicContact CB-CG1 3.94Å; P399-V411 HydrophobicContact CG-CG1 4.12Å; I402-V411 HydrophobicContact CG1-CG1 4.35Å; V409-V411 HydrophobicContact CG1-CG2 4.39Å; V411-Y413 HydrophobicContact CB-CE2 4.23Å; V411-Y413 HydrophobicContact CG1-CD2 4.32Å; V411-Y413 HydrophobicContact CG1-CE2 3.74Å; V411-T455 CarbonylContact O-C 3.24Å; V411-T455 VanDerWaalsContact O-CA 3.24Å; V411-T455 WeakPolarHBondContact O-CA 3.44Å; V411-T455 WeakPolarHBondContact O-CG2 3.29Å; V411-I456 PolarHBondContact N-O 2.98Å; V411-I456 PolarHBondContact O-N 3.2Å; V411-L458 HydrophobicContact CG2-CD1 3.9Å; V411-L458 HydrophobicContact CG2-CG 4.47Å; V411-L471 HydrophobicContact CG2-CD2 3.47Å; V411-L471 VanDerWaalsContact CG2-CD2 3.47Å
412	T	98.3	Very high	94.9	Very high	39 Å²	39	43.4 Å²	43.4	24%	0.239	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.8	174.5	-57.3	0	0	0	0	109.2	K400 V401 I454 T455	K400-T412 PolarHBondContact N-O 3.45Å; V401-T412 PolarHBondContact N-O 3.42Å; V401-T412 VanDerWaalsContact N-O 3.11Å; V401-T412 PolarHBondContact O-N 2.84Å; T412-I454 HydrophobicContact CG2-CG1 4.14Å; T412-T455 PolarHBondContact OG1-OG1 3.28Å; T412-T455 VanDerWaalsContact OG1-OG1 3.11Å
413	Y	98.2	Very high	94.9	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	162.7	-177.2	-69.4	-95.9	0	0	0	112	P397 F398 P399 V411 Q415 I417 F426 I454 I456 V487	P397-Y413 HydrophobicContact CB-CD1 3.54Å; P397-Y413 HydrophobicContact CB-CE1 4.26Å; P397-Y413 HydrophobicContact CB-CG 4.08Å; F398-Y413 WeakPolarHBondContact O-CA 3.12Å; P399-Y413 HydrophobicContact CG-CE1 4.22Å; V411-Y413 HydrophobicContact CB-CE2 4.23Å; V411-Y413 HydrophobicContact CG1-CD2 4.32Å; V411-Y413 HydrophobicContact CG1-CE2 3.74Å; Y413-Q415 VanDerWaalsContact C-N 3.28Å; Y413-I417 HydrophobicContact CD1-CG2 4.28Å; Y413-I417 HydrophobicContact CD2-CD1 3.77Å; Y413-I417 HydrophobicContact CD2-CG2 3.91Å; Y413-I417 HydrophobicContact CE2-CD1 4.08Å; Y413-I417 HydrophobicContact CG-CG2 3.69Å; Y413-F426 WeakPolarHBondContact OH-CZ 3.36Å; Y413-I454 PolarHBondContact N-O 2.81Å; Y413-I454 WeakPolarHBondContact O-CG1 3.49Å; Y413-I456 HydrophobicContact CE2-CB 4.4Å; Y413-I456 HydrophobicContact CE2-CD1 3.73Å; Y413-I456 HydrophobicContact CE2-CG1 3.92Å; Y413-V487 HydrophobicContact CE1-CG1 3.96Å; Y413-V487 HydrophobicContact CE2-CG1 4.49Å
414	D	96.8	Very high	94.9	Very high	79 Å²	79	53.3 Å²	53.3	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-75.9	-13.7	177.9	61.7	-9.5	0	0	0	114.4	F398 K400	F398-D414 PolarHBondContact N-OD1 3.29Å; F398-D414 PolarHBondContact O-N 2.92Å; K400-D414 HydrophobicContact CB-CB 4.36Å
415	Q	96.6	Very high	95.2	Very high	51 Å²	51	52.4 Å²	52.4	24%	0.238	29%	0.286	C	S	.	.	S	Bend	trans	-144.9	175.1	178.2	63.3	-179.2	-35.4	0	0	112.3	Q395 G396 P397 Y413	Q395-Q415 PolarHBondContact O-NE2 3.13Å; G396-Q415 PolarHBondContact O-NE2 2.71Å; G396-Q415 VanDerWaalsContact O-NE2 3.08Å; P397-Q415 VanDerWaalsContact CA-NE2 3.31Å; P397-Q415 HydrophobicContact CB-CG 3.88Å; P397-Q415 HydrophobicContact CG-CG 3.96Å; Y413-Q415 VanDerWaalsContact C-N 3.28Å
416	G	97.8	Very high	95.7	Very high	30 Å²	30	50 Å²	50	31%	0.309	27%	0.269	S	S	.	.			trans	-66.5	138.5	177.5	0	0	0	0	0	112.3	Q453 D489 S490	G416-Q453 CarbonylContact C-O 3.5Å; G416-Q453 VanDerWaalsContact CA-O 3.25Å; G416-Q453 WeakPolarHBondContact CA-O 3.45Å; G416-D489 CarbonylContact O-C 3.47Å; G416-S490 PolarHBondContact O-N 2.82Å
417	I	98.4	Very high	96.3	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148	-173.1	66.1	179.2	0	0	0	113.1	P397 Y413 V419 Q453 I456 V487 Y488	P397-I417 HydrophobicContact CB-CG2 3.6Å; P397-I417 HydrophobicContact CG-CG2 3.73Å; Y413-I417 HydrophobicContact CD1-CG2 4.28Å; Y413-I417 HydrophobicContact CD2-CD1 3.77Å; Y413-I417 HydrophobicContact CD2-CG2 3.91Å; Y413-I417 HydrophobicContact CE2-CD1 4.08Å; Y413-I417 HydrophobicContact CG-CG2 3.69Å; I417-V419 HydrophobicContact CB-CG2 4.44Å; I417-V419 HydrophobicContact CD1-CG2 3.59Å; I417-V419 HydrophobicContact CG1-CG2 3.86Å; I417-Q453 PolarHBondContact N-O 3.28Å; I417-I456 HydrophobicContact CD1-CD1 4.06Å; I417-I456 HydrophobicContact CD1-CG1 3.64Å; I417-V487 HydrophobicContact CB-CG1 4.45Å; I417-V487 HydrophobicContact CG2-CG1 4.32Å; I417-Y488 CarbonylContact C-O 3.26Å; I417-Y488 VanDerWaalsContact CA-O 3.31Å; I417-Y488 WeakPolarHBondContact CA-O 3.2Å
418	F	98.3	Very high	96.6	Very high	80 Å²	80	40.2 Å²	40.2	35%	0.351	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.6	160.1	179.4	-88	0	0	0	108.7	Y488 D489 K492	F418-Y488 PolarHBondContact N-O 3.35Å; F418-Y488 PolarHBondContact O-N 2.85Å; F418-D489 WeakPolarHBondContact CB-O 3.37Å; F418-K492 HydrophobicContact CD1-CD 4.07Å; F418-K492 HydrophobicContact CD1-CG 3.94Å; F418-K492 HydrophobicContact CE1-CD 3.9Å; F418-K492 HydrophobicContact CE1-CG 4.28Å; F418-K492 HydrophobicContact CG-CG 4.34Å; F418-K492 HydrophobicContact CZ-CD 4.27Å
419	V	98	Very high	96.6	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.2	-174.6	-175.8	0	0	0	0	111.6	I417 I448 W451 I456 P486	I417-V419 HydrophobicContact CB-CG2 4.44Å; I417-V419 HydrophobicContact CD1-CG2 3.59Å; I417-V419 HydrophobicContact CG1-CG2 3.86Å; V419-I448 HydrophobicContact CG1-CD1 3.97Å; V419-I448 HydrophobicContact CG1-CG2 4.25Å; V419-W451 HydrophobicContact CB-CB 4.28Å; V419-W451 HydrophobicContact CB-CD2 4.13Å; V419-W451 HydrophobicContact CB-CG 3.72Å; V419-W451 HydrophobicContact CG1-CB 4.29Å; V419-W451 HydrophobicContact CG1-CD2 3.98Å; V419-W451 HydrophobicContact CG1-CE3 4.43Å; V419-W451 HydrophobicContact CG1-CG 3.9Å; V419-W451 HydrophobicContact CG2-CB 4.06Å; V419-W451 HydrophobicContact CG2-CG 3.98Å; V419-I456 HydrophobicContact CG1-CD1 4.16Å; V419-I456 HydrophobicContact CG2-CD1 3.78Å; V419-I456 HydrophobicContact CG2-CG1 3.91Å; V419-P486 CarbonylContact C-O 3.52Å; V419-P486 WeakPolarHBondContact CA-O 3.33Å
420	T	96.7	Very high	96.4	Very high	55 Å²	55	41.6 Å²	41.6	34%	0.337	23%	0.228	S	C	.	.			trans	-105.5	126.4	163.1	-52.4	0	0	0	0	108.4	S422 P486	T420-S422 PolarHBondContact O-N 3.1Å; T420-P486 PolarHBondContact N-O 2.99Å; T420-P486 WeakPolarHBondContact O-CA 3.48Å; T420-P486 VanDerWaalsContact O-CB 3.25Å; T420-P486 WeakPolarHBondContact O-CB 3.47Å
421	P	93.8	Very high	96	Very high	80 Å²	80	40.3 Å²	40.3	52%	0.519	22%	0.222	S	C	.	.			trans	-57	135.2	-179.6	-27.6	36.3	0	0	0	113.1	W451	P421-W451 HydrophobicContact CG-CH2 3.37Å; P421-W451 HydrophobicContact CG-CZ2 4.09Å; P421-W451 HydrophobicContact CG-CZ3 3.71Å
422	S	95.8	Very high	95.2	Very high	17 Å²	17	46.4 Å²	46.4	12%	0.119	25%	0.251	C	S	.	.			trans	-134.7	153.2	172.5	163.2	0	0	0	0	110	T420 D424 I425 I448	T420-S422 PolarHBondContact O-N 3.1Å; S422-D424 PolarHBondContact OG-N 2.76Å; S422-D424 PolarHBondContact OG-OD1 2.8Å; S422-I425 WeakPolarHBondContact OG-CG2 3.38Å; S422-I425 PolarHBondContact OG-N 3.24Å; S422-I425 VanDerWaalsContact OG-N 3.17Å; S422-I448 PolarHBondContact O-N 3.04Å
423	K	95.1	Very high	94.4	Very high	165 Å²	165	53.7 Å²	53.7	72%	0.717	28%	0.279	S	S	*	.	S	Bend	trans	-103.8	-14.1	-177.5	-66.9	-178.5	179	176.8	0	113.3	P447	K423-P447 WeakPolarHBondContact O-CG 3.46Å
424	D	93.5	Very high	93.6	Very high	110 Å²	110	58 Å²	58	59%	0.588	30%	0.302	S	S	*	.	S	Bend	trans	-144.2	-18.2	-157.5	49.3	-0.9	0	0	0	114.7	S422 F426	S422-D424 PolarHBondContact OG-N 2.76Å; S422-D424 PolarHBondContact OG-OD1 2.8Å; D424-F426 VanDerWaalsContact C-N 3.27Å; D424-F426 PolarHBondContact O-N 3.32Å
425	I	96.4	Very high	92.9	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-70.7	-26.1	-178.8	-154.1	173.9	0	0	0	113.5	S422 Y473 G474 P479 P486	S422-I425 WeakPolarHBondContact OG-CG2 3.38Å; S422-I425 PolarHBondContact OG-N 3.24Å; S422-I425 VanDerWaalsContact OG-N 3.17Å; I425-Y473 HydrophobicContact CD1-CD2 4.38Å; I425-Y473 HydrophobicContact CD1-CE2 3.75Å; I425-Y473 HydrophobicContact CG1-CD2 4.29Å; I425-Y473 HydrophobicContact CG1-CE2 4.13Å; I425-Y473 HydrophobicContact CG2-CD2 3.77Å; I425-Y473 HydrophobicContact CG2-CE2 3.61Å; I425-Y473 WeakPolarHBondContact O-CA 3.15Å; I425-G474 PolarHBondContact O-N 2.88Å; I425-P479 HydrophobicContact CD1-CB 4.03Å; I425-P479 HydrophobicContact CG1-CB 4.12Å; I425-P486 HydrophobicContact CB-CG 4.26Å; I425-P486 HydrophobicContact CD1-CG 3.99Å; I425-P486 HydrophobicContact CG2-CB 4.14Å; I425-P486 HydrophobicContact CG2-CG 3.64Å
426	F	97.8	Very high	92.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.4	174.6	-75.7	-83.5	0	0	0	108.1	Y413 D424 A446 I448 I456 L458 L471 R472 Y473 V487 F499	Y413-F426 WeakPolarHBondContact OH-CZ 3.36Å; D424-F426 VanDerWaalsContact C-N 3.27Å; D424-F426 PolarHBondContact O-N 3.32Å; F426-A446 HydrophobicContact CB-CB 4.15Å; F426-A446 WeakPolarHBondContact CB-O 3.25Å; F426-A446 PolarHBondContact O-N 3.05Å; F426-I448 HydrophobicContact CD2-CD1 4.17Å; F426-I448 HydrophobicContact CD2-CG1 3.95Å; F426-I448 HydrophobicContact CE2-CD1 3.8Å; F426-I448 HydrophobicContact CE2-CG1 3.97Å; F426-I456 HydrophobicContact CZ-CD1 4.35Å; F426-L458 HydrophobicContact CB-CD1 4.05Å; F426-L458 HydrophobicContact CB-CD2 4.18Å; F426-L458 HydrophobicContact CD1-CD1 3.67Å; F426-L458 HydrophobicContact CD1-CD2 4.27Å; F426-L458 HydrophobicContact CD2-CD2 3.72Å; F426-L458 HydrophobicContact CE1-CD1 4.22Å; F426-L458 HydrophobicContact CE2-CD2 4.11Å; F426-L458 HydrophobicContact CG-CD1 3.86Å; F426-L458 HydrophobicContact CG-CD2 3.8Å; F426-L471 HydrophobicContact CD1-CD1 4.18Å; F426-R472 WeakPolarHBondContact CA-O 3.25Å; F426-Y473 AromaticContact CD1-CD2 3.83Å; F426-Y473 HydrophobicContact CD1-CD2 3.83Å; F426-Y473 HydrophobicContact CD1-CG 4.3Å; F426-Y473 AromaticContact CD2-CD2 3.96Å; F426-Y473 HydrophobicContact CD2-CD2 3.96Å; F426-Y473 HydrophobicContact CD2-CE2 4.44Å; F426-Y473 AromaticContact CE1-CD2 3.44Å; F426-Y473 HydrophobicContact CE1-CD2 3.44Å; F426-Y473 VanDerWaalsContact CE1-CD2 3.44Å; F426-Y473 HydrophobicContact CE1-CE2 4.36Å; F426-Y473 AromaticContact CE1-CG 3.89Å; F426-Y473 HydrophobicContact CE1-CG 3.89Å; F426-Y473 AromaticContact CE2-CD2 3.57Å; F426-Y473 HydrophobicContact CE2-CD2 3.57Å; F426-Y473 AromaticContact CE2-CE2 3.81Å; F426-Y473 HydrophobicContact CE2-CE2 3.81Å; F426-Y473 HydrophobicContact CG-CD2 4.08Å; F426-Y473 AromaticContact CZ-CD2 3.3Å; F426-Y473 HydrophobicContact CZ-CD2 3.3Å; F426-Y473 AromaticContact CZ-CE2 3.77Å; F426-Y473 HydrophobicContact CZ-CE2 3.77Å; F426-Y473 HydrophobicContact CZ-CG 4.11Å; F426-V487 HydrophobicContact CE2-CG2 4.16Å; F426-V487 HydrophobicContact CZ-CG2 3.95Å; F426-F499 HydrophobicContact CD1-CZ 4.48Å; F426-F499 HydrophobicContact CE1-CE1 4.2Å; F426-F499 AromaticContact CE1-CZ 3.95Å; F426-F499 HydrophobicContact CE1-CZ 3.95Å
427	E	96.6	Very high	92	Very high	35 Å²	35	55.2 Å²	55.2	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.4	178.5	-60.3	172.6	106	0	0	110.4	W443 S444 L471 R472	E427-W443 HydrophobicContact CB-CB 4.18Å; E427-W443 HydrophobicContact CB-CE3 4.05Å; E427-S444 CarbonylContact C-O 3.52Å; E427-S444 VanDerWaalsContact CA-O 3.24Å; E427-S444 WeakPolarHBondContact CA-O 3.31Å; E427-L471 CarbonylContact O-C 3.6Å; E427-L471 WeakPolarHBondContact O-CA 3.32Å; E427-L471 WeakPolarHBondContact O-CD1 3.31Å; E427-R472 HydrophobicContact CB-CG 3.96Å; E427-R472 PolarHBondContact N-O 3.21Å; E427-R472 PolarHBondContact O-N 3.44Å; E427-R472 IonicContact OE1-NH2 2.72Å; E427-R472 PolarHBondContact OE1-NH2 3.33Å; E427-R472 IonicContact OE2-CZ 2.7Å; E427-R472 IonicContact OE2-NE 3.25Å; E427-R472 PolarHBondContact OE2-NE 2.94Å; E427-R472 IonicContact OE2-NH2 3.4Å; E427-R472 PolarHBondContact OE2-NH2 2.8Å
428	I	95.7	Very high	91.4	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.6	174.1	57.9	178	0	0	0	110.2	S444 A446 A460 C463 V468 A470 L471	I428-S444 PolarHBondContact N-O 2.85Å; I428-S444 PolarHBondContact O-N 3.43Å; I428-A446 HydrophobicContact CG1-CB 4.33Å; I428-A446 HydrophobicContact CG2-CB 3.92Å; I428-A460 HydrophobicContact CD1-CB 3.79Å; I428-C463 HydrophobicContact CD1-CB 4.12Å; I428-C463 VanDerWaalsContact CD1-SG 3.57Å; I428-V468 HydrophobicContact CB-CG1 4.5Å; I428-V468 HydrophobicContact CG2-CG1 4.32Å; I428-A470 WeakPolarHBondContact CA-O 3.31Å; I428-L471 HydrophobicContact CG2-CD1 3.66Å
429	C	94.3	Very high	90.5	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.1	169.2	157.8	0	0	0	0	109.5	C437 W443 A469 A470	C429-C437 HydrophobicContact CB-CB 3.66Å; C429-C437 WeakPolarHBondContact CB-SG 3.34Å; C429-C437 WeakPolarHBondContact SG-CB 3.43Å; C429-C437 CovalentContact SG-SG 2.03Å; C429-C437 PolarHBondContact SG-SG 3.16Å; C429-W443 HydrophobicContact CB-CD2 3.85Å; C429-W443 HydrophobicContact CB-CE3 3.66Å; C429-W443 HydrophobicContact CB-CH2 4.03Å; C429-W443 HydrophobicContact CB-CZ2 4.17Å; C429-W443 HydrophobicContact CB-CZ3 3.77Å; C429-A469 PolarHBondContact O-N 3.36Å; C429-A470 HydrophobicContact CB-CB 4.47Å; C429-A470 PolarHBondContact N-O 3.29Å; C429-A470 VanDerWaalsContact N-O 3.1Å; C429-A470 PolarHBondContact O-N 3.26Å
430	C	92	Very high	89.7	Confident	47 Å²	47	66.7 Å²	66.7	32%	0.318	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.5	179.3	-31.1	0	0	0	0	110.3	C463 K467	C430-C463 HydrophobicContact CB-CB 3.93Å; C430-C463 WeakPolarHBondContact CB-SG 3.46Å; C430-C463 WeakPolarHBondContact SG-CA 3.45Å; C430-C463 WeakPolarHBondContact SG-CB 3.49Å; C430-C463 CovalentContact SG-SG 2.02Å; C430-C463 PolarHBondContact SG-SG 3.29Å; C430-K467 CarbonylContact C-O 3.21Å; C430-K467 VanDerWaalsContact CA-O 3.25Å; C430-K467 WeakPolarHBondContact CA-O 3.5Å
431	S	88.1	Confident	89.4	Confident	16 Å²	16	65.7 Å²	65.7	11%	0.112	35%	0.354	C	S	.	.			trans	-127.2	125.8	173.5	-172	0	0	0	0	111.7	K433 A435 K467	S431-K433 VanDerWaalsContact C-N 3.35Å; S431-A435 VanDerWaalsContact CB-O 3.27Å; S431-A435 WeakPolarHBondContact CB-O 3.18Å; S431-A435 PolarHBondContact OG-N 3.14Å; S431-A435 PolarHBondContact OG-O 3.44Å; S431-K467 PolarHBondContact N-O 3.34Å; S431-K467 VanDerWaalsContact O-CD 3.25Å; S431-K467 WeakPolarHBondContact O-CD 3.41Å
432	E	81.7	Confident	89.2	Confident	128 Å²	128	68.6 Å²	68.6	60%	0.598	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-27.9	174.8	-72.6	-57.4	147	0	0	113.1	K467	E432-K467 PolarHBondContact O-NZ 3.01Å; E432-K467 WeakPolarHBondContact OE2-CE 3.39Å; E432-K467 IonicContact OE2-NZ 3.29Å; E432-K467 PolarHBondContact OE2-NZ 3.44Å
433	K	81.6	Confident	89.1	Confident	193 Å²	193	69 Å²	69	84%	0.839	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	11.7	-172.4	-63.9	-178.9	-179	174.6	0	113.6	S431 A435	S431-K433 VanDerWaalsContact C-N 3.35Å; K433-A435 PolarHBondContact O-N 3.15Å
434	N	79.9	Confident	89.1	Confident	90 Å²	90	62.5 Å²	62.5	48%	0.481	34%	0.339	S	S	.	.	S	Bend	trans	51.3	41.5	-171.2	-60.7	-15.9	0	0	0	112.2	Y504	N434-Y504 VanDerWaalsContact CA-CE2 3.49Å; N434-Y504 HydrophobicContact CB-CD1 4.17Å; N434-Y504 HydrophobicContact CB-CD2 4.34Å; N434-Y504 HydrophobicContact CB-CE1 3.79Å; N434-Y504 HydrophobicContact CB-CE2 3.97Å; N434-Y504 HydrophobicContact CB-CG 4.43Å; N434-Y504 WeakPolarHBondContact O-CB 3.36Å; N434-Y504 WeakPolarHBondContact O-CD2 3.4Å; N434-Y504 PolarHBondContact OD1-OH 3.19Å
435	A	83.4	Confident	89.2	Confident	46 Å²	46	60.7 Å²	60.7	38%	0.38	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-101.5	154.5	176.5	0	0	0	0	0	110.5	S431 K433	S431-A435 VanDerWaalsContact CB-O 3.27Å; S431-A435 WeakPolarHBondContact CB-O 3.18Å; S431-A435 PolarHBondContact OG-N 3.14Å; S431-A435 PolarHBondContact OG-O 3.44Å; K433-A435 PolarHBondContact O-N 3.15Å
436	S	86.3	Confident	89.3	Confident	49 Å²	49	60.2 Å²	60.2	34%	0.343	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.5	154.2	170.4	-60.4	0	0	0	0	111.2
437	C	89.3	Confident	89.3	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.047	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-90.1	136.5	171.9	-60.6	0	0	0	0	109.9	C429 W443 A470 N502	C429-C437 HydrophobicContact CB-CB 3.66Å; C429-C437 WeakPolarHBondContact CB-SG 3.34Å; C429-C437 WeakPolarHBondContact SG-CB 3.43Å; C429-C437 CovalentContact SG-SG 2.03Å; C429-C437 PolarHBondContact SG-SG 3.16Å; C437-W443 HydrophobicContact CB-CH2 4.06Å; C437-W443 HydrophobicContact CB-CZ2 3.76Å; C437-A470 HydrophobicContact CB-CB 3.75Å; C437-N502 PolarHBondContact N-OD1 3.14Å; C437-N502 PolarHBondContact O-ND2 2.86Å; C437-N502 PolarHBondContact O-OD1 2.86Å
438	E	84.7	Confident	89.3	Confident	135 Å²	135	60.9 Å²	60.9	63%	0.631	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-100.5	172.9	176.1	-64.7	-179.2	-165.3	0	0	109.8	D440 S441 W443	E438-D440 PolarHBondContact O-N 2.86Å; E438-S441 PolarHBondContact N-OG 2.93Å; E438-S441 WeakPolarHBondContact O-CB 3.3Å; E438-S441 PolarHBondContact O-N 3.16Å; E438-S441 VanDerWaalsContact O-N 3.1Å; E438-S441 PolarHBondContact O-OG 3.3Å; E438-W443 PolarHBondContact O-NE1 3.24Å
439	S	78.9	Confident	89.4	Confident	75 Å²	75	66 Å²	66	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.7	-178	-54.2	0	0	0	0	112.7	S441	S439-S441 VanDerWaalsContact C-N 3.33Å
440	D	82.1	Confident	89.5	Confident	135 Å²	135	69.8 Å²	69.8	72%	0.722	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	2	179.9	70.9	-21.4	0	0	0	114.2	E438	E438-D440 PolarHBondContact O-N 2.86Å
441	S	89.5	Confident	89.8	Confident	34 Å²	34	73 Å²	73	24%	0.238	39%	0.39	C	S	.	.	S	Bend	trans	-65.2	156.6	177	-65.4	0	0	0	0	111.7	E438 S439 W443	E438-S441 PolarHBondContact N-OG 2.93Å; E438-S441 WeakPolarHBondContact O-CB 3.3Å; E438-S441 PolarHBondContact O-N 3.16Å; E438-S441 VanDerWaalsContact O-N 3.1Å; E438-S441 PolarHBondContact O-OG 3.3Å; S439-S441 VanDerWaalsContact C-N 3.33Å; S441-W443 PolarHBondContact O-N 3.09Å; S441-W443 VanDerWaalsContact O-N 3.14Å
442	L	91.1	Very high	90.2	Very high	142 Å²	142	76.3 Å²	76.3	74%	0.743	41%	0.407	S	S	*	.			trans	-75.5	106.9	175.8	-175.4	67	0	0	0	110.4
443	W	93.8	Very high	90.9	Very high	26 Å²	26	78.1 Å²	78.1	10%	0.098	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.8	174.4	-65.9	95.2	0	0	0	110.8	E427 C429 C437 E438 S441 A470 R472 I500	E427-W443 HydrophobicContact CB-CB 4.18Å; E427-W443 HydrophobicContact CB-CE3 4.05Å; C429-W443 HydrophobicContact CB-CD2 3.85Å; C429-W443 HydrophobicContact CB-CE3 3.66Å; C429-W443 HydrophobicContact CB-CH2 4.03Å; C429-W443 HydrophobicContact CB-CZ2 4.17Å; C429-W443 HydrophobicContact CB-CZ3 3.77Å; C437-W443 HydrophobicContact CB-CH2 4.06Å; C437-W443 HydrophobicContact CB-CZ2 3.76Å; E438-W443 PolarHBondContact O-NE1 3.24Å; S441-W443 PolarHBondContact O-N 3.09Å; S441-W443 VanDerWaalsContact O-N 3.14Å; W443-A470 HydrophobicContact CH2-CB 3.52Å; W443-A470 HydrophobicContact CZ2-CB 4.48Å; W443-A470 HydrophobicContact CZ3-CB 3.97Å; W443-R472 VanDerWaalsContact CD1-CZ 3.43Å; W443-R472 HydrophobicContact CD2-CG 4.24Å; W443-R472 HydrophobicContact CE3-CG 3.66Å; W443-R472 HydrophobicContact CH2-CB 4.24Å; W443-R472 HydrophobicContact CH2-CG 4.1Å; W443-R472 HydrophobicContact CZ3-CB 4Å; W443-R472 HydrophobicContact CZ3-CG 3.57Å; W443-I500 HydrophobicContact CH2-CD1 3.65Å; W443-I500 HydrophobicContact CH2-CG1 4.03Å; W443-I500 HydrophobicContact CZ2-CD1 3.64Å
444	S	94.8	Very high	91.7	Very high	27 Å²	27	72.3 Å²	72.3	19%	0.189	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	-179	-66.7	0	0	0	0	110.8	E427 I428 A446	E427-S444 CarbonylContact C-O 3.52Å; E427-S444 VanDerWaalsContact CA-O 3.24Å; E427-S444 WeakPolarHBondContact CA-O 3.31Å; I428-S444 PolarHBondContact N-O 2.85Å; I428-S444 PolarHBondContact O-N 3.43Å; S444-A446 PolarHBondContact O-N 3.25Å
445	P	96.3	Very high	92.6	Very high	72 Å²	72	69.3 Å²	69.3	47%	0.468	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	137.3	175.8	-30.1	36.8	0	0	0	113.5	P447	P445-P447 WeakPolarHBondContact O-CD 2.97Å
446	A	96.9	Very high	93.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.36	C	S	.	.			trans	-123.4	80.7	179.1	0	0	0	0	0	110.5	F426 I428 S444 L458 S459	F426-A446 HydrophobicContact CB-CB 4.15Å; F426-A446 WeakPolarHBondContact CB-O 3.25Å; F426-A446 PolarHBondContact O-N 3.05Å; I428-A446 HydrophobicContact CG1-CB 4.33Å; I428-A446 HydrophobicContact CG2-CB 3.92Å; S444-A446 PolarHBondContact O-N 3.25Å; A446-L458 HydrophobicContact CB-CB 4.31Å; A446-S459 WeakPolarHBondContact CA-O 3.19Å; A446-S459 WeakPolarHBondContact CB-O 3.12Å
447	P	97.8	Very high	93.8	Very high	38 Å²	38	67.6 Å²	67.6	25%	0.247	36%	0.357	C	S	.	.			trans	-53.5	143	-177.1	-27.2	29.7	0	0	0	114.8	K423 P445 M449 L458 S459	K423-P447 WeakPolarHBondContact O-CG 3.46Å; P445-P447 WeakPolarHBondContact O-CD 2.97Å; P447-M449 HydrophobicContact CB-SD 4.43Å; P447-M449 PolarHBondContact O-N 3.24Å; P447-L458 CarbonylContact O-C 3.53Å; P447-L458 WeakPolarHBondContact O-CA 3.47Å; P447-S459 PolarHBondContact O-N 3.19Å
448	I	98	Very high	94.2	Very high	14 Å²	14	67.3 Å²	67.3	7%	0.072	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.6	169.4	-60.5	176.2	0	0	0	109.2	V419 S422 F426 W451 I456 L458 P486	V419-I448 HydrophobicContact CG1-CD1 3.97Å; V419-I448 HydrophobicContact CG1-CG2 4.25Å; S422-I448 PolarHBondContact O-N 3.04Å; F426-I448 HydrophobicContact CD2-CD1 4.17Å; F426-I448 HydrophobicContact CD2-CG1 3.95Å; F426-I448 HydrophobicContact CE2-CD1 3.8Å; F426-I448 HydrophobicContact CE2-CG1 3.97Å; I448-W451 HydrophobicContact CG2-CE3 3.72Å; I448-W451 HydrophobicContact CG2-CZ3 4.26Å; I448-I456 HydrophobicContact CB-CG2 4.43Å; I448-I456 HydrophobicContact CG1-CG2 4.06Å; I448-I456 HydrophobicContact CG2-CG2 3.9Å; I448-L458 HydrophobicContact CB-CD2 4.49Å; I448-L458 HydrophobicContact CG1-CD2 3.79Å; I448-P486 HydrophobicContact CD1-CB 3.94Å
449	M	96.8	Very high	94.8	Very high	107 Å²	107	61.8 Å²	61.8	53%	0.527	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-49.6	-177.3	-61.6	-57.6	-59.4	0	0	112.4	P447 Q457	P447-M449 HydrophobicContact CB-SD 4.43Å; P447-M449 PolarHBondContact O-N 3.24Å; M449-Q457 PolarHBondContact N-O 2.83Å
450	V	96.2	Very high	95.5	Very high	84 Å²	84	58.3 Å²	58.3	51%	0.509	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.7	-175.8	-176.4	0	0	0	0	108	Q457	V450-Q457 HydrophobicContact CB-CB 4.23Å; V450-Q457 PolarHBondContact N-O 2.98Å; V450-Q457 PolarHBondContact O-N 3.31Å
451	W	97.9	Very high	95.8	Very high	114 Å²	114	56.5 Å²	56.5	43%	0.432	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.3	173.4	62.9	95.9	0	0	0	111	V419 P421 I448 T455 I456	V419-W451 HydrophobicContact CB-CB 4.28Å; V419-W451 HydrophobicContact CB-CD2 4.13Å; V419-W451 HydrophobicContact CB-CG 3.72Å; V419-W451 HydrophobicContact CG1-CB 4.29Å; V419-W451 HydrophobicContact CG1-CD2 3.98Å; V419-W451 HydrophobicContact CG1-CE3 4.43Å; V419-W451 HydrophobicContact CG1-CG 3.9Å; V419-W451 HydrophobicContact CG2-CB 4.06Å; V419-W451 HydrophobicContact CG2-CG 3.98Å; P421-W451 HydrophobicContact CG-CH2 3.37Å; P421-W451 HydrophobicContact CG-CZ2 4.09Å; P421-W451 HydrophobicContact CG-CZ3 3.71Å; I448-W451 HydrophobicContact CG2-CE3 3.72Å; I448-W451 HydrophobicContact CG2-CZ3 4.26Å; W451-T455 CarbonylContact C-O 3.48Å; W451-T455 VanDerWaalsContact CA-O 3.24Å; W451-T455 WeakPolarHBondContact CA-O 3.37Å; W451-I456 HydrophobicContact CB-CG1 4.19Å
452	N	97.5	Very high	95.6	Very high	87 Å²	87	57.3 Å²	57.3	47%	0.465	31%	0.314	S	S	.	.			trans	-132.4	-162.9	167.6	67.9	35.4	0	0	0	109.2	I454 T455	N452-I454 PolarHBondContact O-N 2.97Å; N452-I454 PolarHBondContact OD1-N 2.76Å; N452-T455 PolarHBondContact N-O 3.47Å; N452-T455 PolarHBondContact OD1-N 3.36Å
453	Q	97	Very high	95.3	Very high	165 Å²	165	51 Å²	51	77%	0.771	28%	0.281	S	S	*	.	S	Bend	trans	-67.5	-9.6	-176.5	-66.4	178.4	-25.4	0	0	115	G416 I417	G416-Q453 CarbonylContact C-O 3.5Å; G416-Q453 VanDerWaalsContact CA-O 3.25Å; G416-Q453 WeakPolarHBondContact CA-O 3.45Å; I417-Q453 PolarHBondContact N-O 3.28Å
454	I	98.2	Very high	94.7	Very high	72 Å²	72	52.8 Å²	52.8	37%	0.369	30%	0.296	S	S	.	.	S	Bend	trans	-144.7	-16.1	-178	-163.8	165.2	0	0	0	114.4	T412 Y413 N452	T412-I454 HydrophobicContact CG2-CG1 4.14Å; Y413-I454 PolarHBondContact N-O 2.81Å; Y413-I454 WeakPolarHBondContact O-CG1 3.49Å; N452-I454 PolarHBondContact O-N 2.97Å; N452-I454 PolarHBondContact OD1-N 2.76Å
455	T	98.2	Very high	93.5	Very high	27 Å²	27	54.2 Å²	54.2	17%	0.166	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.9	-174.9	-55.3	0	0	0	0	111.5	N410 V411 T412 W451 N452	N410-T455 HydrophobicContact CB-CG2 4.31Å; V411-T455 CarbonylContact O-C 3.24Å; V411-T455 VanDerWaalsContact O-CA 3.24Å; V411-T455 WeakPolarHBondContact O-CA 3.44Å; V411-T455 WeakPolarHBondContact O-CG2 3.29Å; T412-T455 PolarHBondContact OG1-OG1 3.28Å; T412-T455 VanDerWaalsContact OG1-OG1 3.11Å; W451-T455 CarbonylContact C-O 3.48Å; W451-T455 VanDerWaalsContact CA-O 3.24Å; W451-T455 WeakPolarHBondContact CA-O 3.37Å; N452-T455 PolarHBondContact N-O 3.47Å; N452-T455 PolarHBondContact OD1-N 3.36Å
456	I	98.3	Very high	92.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.5	168.9	-61.7	179.5	0	0	0	109.1	N410 V411 Y413 I417 V419 F426 I448 W451 L458 V487	N410-I456 CarbonylContact C-O 3.51Å; N410-I456 WeakPolarHBondContact CA-O 3.42Å; V411-I456 PolarHBondContact N-O 2.98Å; V411-I456 PolarHBondContact O-N 3.2Å; Y413-I456 HydrophobicContact CE2-CB 4.4Å; Y413-I456 HydrophobicContact CE2-CD1 3.73Å; Y413-I456 HydrophobicContact CE2-CG1 3.92Å; I417-I456 HydrophobicContact CD1-CD1 4.06Å; I417-I456 HydrophobicContact CD1-CG1 3.64Å; V419-I456 HydrophobicContact CG1-CD1 4.16Å; V419-I456 HydrophobicContact CG2-CD1 3.78Å; V419-I456 HydrophobicContact CG2-CG1 3.91Å; F426-I456 HydrophobicContact CZ-CD1 4.35Å; I448-I456 HydrophobicContact CB-CG2 4.43Å; I448-I456 HydrophobicContact CG1-CG2 4.06Å; I448-I456 HydrophobicContact CG2-CG2 3.9Å; W451-I456 HydrophobicContact CB-CG1 4.19Å; I456-L458 HydrophobicContact CG2-CD2 3.58Å; I456-L458 HydrophobicContact CG2-CG 4.22Å; I456-V487 HydrophobicContact CD1-CG2 3.53Å
457	Q	97.6	Very high	92.2	Very high	59 Å²	59	56.6 Å²	56.6	28%	0.276	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.4	168.7	178.4	168.7	86.3	0	0	109.5	T408 N410 M449 V450	T408-Q457 HydrophobicContact CG2-CG 3.98Å; N410-Q457 WeakPolarHBondContact OD1-CB 3.26Å; N410-Q457 VanDerWaalsContact OD1-CG 3.32Å; N410-Q457 WeakPolarHBondContact OD1-CG 3.23Å; N410-Q457 PolarHBondContact OD1-NE2 3.28Å; M449-Q457 PolarHBondContact N-O 2.83Å; V450-Q457 HydrophobicContact CB-CB 4.23Å; V450-Q457 PolarHBondContact N-O 2.98Å; V450-Q457 PolarHBondContact O-N 3.31Å
458	L	97.5	Very high	91.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.2	179.6	-53.7	175	0	0	0	110.5	T408 V409 V411 F426 A446 P447 I448 I456 L471	T408-L458 CarbonylContact C-O 3.53Å; T408-L458 WeakPolarHBondContact CA-O 3.41Å; T408-L458 VanDerWaalsContact CB-O 3.29Å; T408-L458 WeakPolarHBondContact CB-O 3.41Å; V409-L458 HydrophobicContact CB-CB 4.44Å; V409-L458 PolarHBondContact N-O 3.23Å; V409-L458 PolarHBondContact O-N 3.36Å; V411-L458 HydrophobicContact CG2-CD1 3.9Å; V411-L458 HydrophobicContact CG2-CG 4.47Å; F426-L458 HydrophobicContact CB-CD1 4.05Å; F426-L458 HydrophobicContact CB-CD2 4.18Å; F426-L458 HydrophobicContact CD1-CD1 3.67Å; F426-L458 HydrophobicContact CD1-CD2 4.27Å; F426-L458 HydrophobicContact CD2-CD2 3.72Å; F426-L458 HydrophobicContact CE1-CD1 4.22Å; F426-L458 HydrophobicContact CE2-CD2 4.11Å; F426-L458 HydrophobicContact CG-CD1 3.86Å; F426-L458 HydrophobicContact CG-CD2 3.8Å; A446-L458 HydrophobicContact CB-CB 4.31Å; P447-L458 CarbonylContact O-C 3.53Å; P447-L458 WeakPolarHBondContact O-CA 3.47Å; I448-L458 HydrophobicContact CB-CD2 4.49Å; I448-L458 HydrophobicContact CG1-CD2 3.79Å; I456-L458 HydrophobicContact CG2-CD2 3.58Å; I456-L458 HydrophobicContact CG2-CG 4.22Å; L458-L471 HydrophobicContact CD1-CD1 3.58Å; L458-L471 HydrophobicContact CD1-CD2 3.91Å; L458-L471 HydrophobicContact CD1-CG 4.42Å
459	S	95.9	Very high	91.7	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.1	167	-178.5	0	0	0	0	109.9	A446 P447 S461	A446-S459 WeakPolarHBondContact CA-O 3.19Å; A446-S459 WeakPolarHBondContact CB-O 3.12Å; P447-S459 PolarHBondContact O-N 3.19Å; S459-S461 PolarHBondContact OG-N 3.38Å; S459-S461 PolarHBondContact OG-OG 3.42Å; S459-S461 VanDerWaalsContact OG-OG 3.13Å
460	A	93.3	Very high	91.6	Very high	1 Å²	1	49 Å²	49	1%	0.008	28%	0.277	C	S	.	.			trans	-118	28	170.9	0	0	0	0	0	111.8	S407 V409 I428 A462 C463 V468	S407-A460 PolarHBondContact O-N 3.4Å; V409-A460 HydrophobicContact CG2-CB 4Å; I428-A460 HydrophobicContact CD1-CB 3.79Å; A460-A462 PolarHBondContact O-N 3.18Å; A460-A462 VanDerWaalsContact O-N 3.08Å; A460-C463 CarbonylContact O-C 3.6Å; A460-C463 PolarHBondContact O-N 3.46Å; A460-V468 HydrophobicContact CB-CG2 4.18Å
461	S	88.6	Confident	91.6	Very high	98 Å²	98	45 Å²	45	69%	0.685	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.2	-177.9	53.9	0	0	0	0	114.4	S459 C463	S459-S461 PolarHBondContact OG-N 3.38Å; S459-S461 PolarHBondContact OG-OG 3.42Å; S459-S461 VanDerWaalsContact OG-OG 3.13Å; S461-C463 VanDerWaalsContact C-N 3.32Å
462	A	86.6	Confident	91.5	Very high	51 Å²	51	40.2 Å²	40.2	42%	0.421	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.4	175.6	0	0	0	0	0	113.5	A460	A460-A462 PolarHBondContact O-N 3.18Å; A460-A462 VanDerWaalsContact O-N 3.08Å
463	C	84.3	Confident	91.5	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.054	21%	0.213	C	C	.	.	S	Bend	trans	-122.6	145.9	179.1	-61.9	0	0	0	0	111.7	I428 C430 A460 S461 V468	I428-C463 HydrophobicContact CD1-CB 4.12Å; I428-C463 VanDerWaalsContact CD1-SG 3.57Å; C430-C463 HydrophobicContact CB-CB 3.93Å; C430-C463 WeakPolarHBondContact CB-SG 3.46Å; C430-C463 WeakPolarHBondContact SG-CA 3.45Å; C430-C463 WeakPolarHBondContact SG-CB 3.49Å; C430-C463 CovalentContact SG-SG 2.02Å; C430-C463 PolarHBondContact SG-SG 3.29Å; A460-C463 CarbonylContact O-C 3.6Å; A460-C463 PolarHBondContact O-N 3.46Å; S461-C463 VanDerWaalsContact C-N 3.32Å; C463-V468 HydrophobicContact CB-CG2 3.78Å
464	P	80.3	Confident	91.5	Very high	64 Å²	64	28.2 Å²	28.2	42%	0.416	18%	0.176	S	C	.	.			trans	-57.5	142.1	157.7	-21	32	0	0	0	110.2	S466 K467 V468	P464-S466 VanDerWaalsContact C-N 3.26Å; P464-S466 PolarHBondContact O-N 2.92Å; P464-S466 VanDerWaalsContact O-N 3.14Å; P464-K467 HydrophobicContact CB-CB 4.05Å; P464-K467 HydrophobicContact CB-CG 3.76Å; P464-K467 HydrophobicContact CG-CB 4.25Å; P464-K467 HydrophobicContact CG-CG 4.01Å; P464-K467 WeakPolarHBondContact O-CA 3.29Å; P464-K467 WeakPolarHBondContact O-CB 3.13Å; P464-K467 PolarHBondContact O-N 3.17Å; P464-V468 PolarHBondContact O-N 3.42Å
465	P	70.6	Confident	91.5	Very high	57 Å²	57	25.5 Å²	25.5	37%	0.37	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-53.3	-40.3	-174.8	-26.9	32.6	0	0	0	114.2	K406 K467	K406-P465 WeakPolarHBondContact O-CA 3.38Å; K406-P465 WeakPolarHBondContact O-CB 3.4Å; K406-P465 WeakPolarHBondContact O-CG 3.27Å; P465-K467 PolarHBondContact O-N 3.03Å
466	S	78.1	Confident	91.3	Very high	78 Å²	78	26.3 Å²	26.3	55%	0.545	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-75.9	-9.5	-179.6	51.3	0	0	0	0	113.5	P464	P464-S466 VanDerWaalsContact C-N 3.26Å; P464-S466 PolarHBondContact O-N 2.92Å; P464-S466 VanDerWaalsContact O-N 3.14Å
467	K	87.9	Confident	91.2	Very high	44 Å²	44	26.5 Å²	26.5	19%	0.191	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-108.9	-5.8	-171.1	-61.2	-72.3	176.2	161.3	0	113.4	C430 S431 E432 P464 P465 A469	C430-K467 CarbonylContact C-O 3.21Å; C430-K467 VanDerWaalsContact CA-O 3.25Å; C430-K467 WeakPolarHBondContact CA-O 3.5Å; S431-K467 PolarHBondContact N-O 3.34Å; S431-K467 VanDerWaalsContact O-CD 3.25Å; S431-K467 WeakPolarHBondContact O-CD 3.41Å; E432-K467 PolarHBondContact O-NZ 3.01Å; E432-K467 WeakPolarHBondContact OE2-CE 3.39Å; E432-K467 IonicContact OE2-NZ 3.29Å; E432-K467 PolarHBondContact OE2-NZ 3.44Å; P464-K467 HydrophobicContact CB-CB 4.05Å; P464-K467 HydrophobicContact CB-CG 3.76Å; P464-K467 HydrophobicContact CG-CB 4.25Å; P464-K467 HydrophobicContact CG-CG 4.01Å; P464-K467 WeakPolarHBondContact O-CA 3.29Å; P464-K467 WeakPolarHBondContact O-CB 3.13Å; P464-K467 PolarHBondContact O-N 3.17Å; P465-K467 PolarHBondContact O-N 3.03Å; K467-A469 PolarHBondContact O-N 3.45Å; K467-A469 VanDerWaalsContact O-N 3.08Å
468	V	92.1	Very high	91.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	115	169.1	-177.4	0	0	0	0	108.3	V409 I428 A460 C463 P464 R503 W510	V409-V468 HydrophobicContact CG2-CG1 4.07Å; V409-V468 HydrophobicContact CG2-CG2 4.24Å; I428-V468 HydrophobicContact CB-CG1 4.5Å; I428-V468 HydrophobicContact CG2-CG1 4.32Å; A460-V468 HydrophobicContact CB-CG2 4.18Å; C463-V468 HydrophobicContact CB-CG2 3.78Å; P464-V468 PolarHBondContact O-N 3.42Å; V468-R503 WeakPolarHBondContact O-CD 3.43Å; V468-R503 PolarHBondContact O-NH1 2.95Å; V468-W510 HydrophobicContact CG1-CH2 3.82Å; V468-W510 HydrophobicContact CG1-CZ3 4.15Å
469	A	92.9	Very high	91.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-27.7	-173.3	0	0	0	0	0	112.4	C429 K467 R503 Y504	C429-A469 PolarHBondContact O-N 3.36Å; K467-A469 PolarHBondContact O-N 3.45Å; K467-A469 VanDerWaalsContact O-N 3.08Å; A469-R503 WeakPolarHBondContact O-CB 3.06Å; A469-R503 PolarHBondContact O-N 2.03Å; A469-Y504 HydrophobicContact CB-CD2 4.18Å; A469-Y504 HydrophobicContact CB-CE2 3.86Å
470	A	94.7	Very high	91.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.1	173.1	0	0	0	0	0	112.2	I428 C429 C437 W443 A501 N502	I428-A470 WeakPolarHBondContact CA-O 3.31Å; C429-A470 HydrophobicContact CB-CB 4.47Å; C429-A470 PolarHBondContact N-O 3.29Å; C429-A470 VanDerWaalsContact N-O 3.1Å; C429-A470 PolarHBondContact O-N 3.26Å; C437-A470 HydrophobicContact CB-CB 3.75Å; W443-A470 HydrophobicContact CH2-CB 3.52Å; W443-A470 HydrophobicContact CZ2-CB 4.48Å; W443-A470 HydrophobicContact CZ3-CB 3.97Å; A470-A501 WeakPolarHBondContact CA-O 3.25Å; A470-A501 WeakPolarHBondContact CB-O 3.13Å; A470-N502 WeakPolarHBondContact CB-OD1 2.93Å
471	L	95.8	Very high	91.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.7	172.7	174.1	69.5	0	0	0	107.6	I402 V409 V411 F426 E427 I428 L458 F499 A501 W510	I402-L471 HydrophobicContact CD1-CD2 4.14Å; I402-L471 HydrophobicContact CG2-CD2 4.18Å; V409-L471 HydrophobicContact CG1-CD2 4.27Å; V411-L471 HydrophobicContact CG2-CD2 3.47Å; V411-L471 VanDerWaalsContact CG2-CD2 3.47Å; F426-L471 HydrophobicContact CD1-CD1 4.18Å; E427-L471 CarbonylContact O-C 3.6Å; E427-L471 WeakPolarHBondContact O-CA 3.32Å; E427-L471 WeakPolarHBondContact O-CD1 3.31Å; I428-L471 HydrophobicContact CG2-CD1 3.66Å; L458-L471 HydrophobicContact CD1-CD1 3.58Å; L458-L471 HydrophobicContact CD1-CD2 3.91Å; L458-L471 HydrophobicContact CD1-CG 4.42Å; L471-F499 HydrophobicContact CD2-CE2 4.08Å; L471-F499 HydrophobicContact CD2-CZ 4.2Å; L471-F499 HydrophobicContact CG-CE2 4.1Å; L471-F499 HydrophobicContact CG-CZ 4.47Å; L471-A501 PolarHBondContact N-O 3.22Å; L471-A501 VanDerWaalsContact N-O 3.1Å; L471-A501 PolarHBondContact O-N 3.3Å; L471-W510 HydrophobicContact CB-CH2 3.94Å; L471-W510 HydrophobicContact CB-CZ2 3.79Å
472	R	96.6	Very high	91.8	Very high	14 Å²	14	29.2 Å²	29.2	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.2	170.3	69.4	-172.2	-168	173.2	3.7	111.8	D324 F426 E427 W443 W475 F499 I500	D324-R472 IonicContact OD2-NH1 3.32Å; D324-R472 PolarHBondContact OD2-NH1 2.67Å; F426-R472 WeakPolarHBondContact CA-O 3.25Å; E427-R472 HydrophobicContact CB-CG 3.96Å; E427-R472 PolarHBondContact N-O 3.21Å; E427-R472 PolarHBondContact O-N 3.44Å; E427-R472 IonicContact OE1-NH2 2.72Å; E427-R472 PolarHBondContact OE1-NH2 3.33Å; E427-R472 IonicContact OE2-CZ 2.7Å; E427-R472 IonicContact OE2-NE 3.25Å; E427-R472 PolarHBondContact OE2-NE 2.94Å; E427-R472 IonicContact OE2-NH2 3.4Å; E427-R472 PolarHBondContact OE2-NH2 2.8Å; W443-R472 VanDerWaalsContact CD1-CZ 3.43Å; W443-R472 HydrophobicContact CD2-CG 4.24Å; W443-R472 HydrophobicContact CE3-CG 3.66Å; W443-R472 HydrophobicContact CH2-CB 4.24Å; W443-R472 HydrophobicContact CH2-CG 4.1Å; W443-R472 HydrophobicContact CZ3-CB 4Å; W443-R472 HydrophobicContact CZ3-CG 3.57Å; R472-W475 HydrophobicContact CB-CB 4.3Å; R472-W475 HydrophobicContact CB-CD2 4.5Å; R472-W475 HydrophobicContact CB-CE3 4.27Å; R472-W475 VanDerWaalsContact CD-CB 3.49Å; R472-W475 VanDerWaalsContact CD-CG 3.45Å; R472-W475 HydrophobicContact CG-CB 3.79Å; R472-W475 HydrophobicContact CG-CG 4.22Å; R472-F499 CarbonylContact C-O 3.47Å; R472-F499 WeakPolarHBondContact CA-O 3.43Å; R472-F499 VanDerWaalsContact CB-O 3.31Å; R472-F499 WeakPolarHBondContact CB-O 3.47Å; R472-I500 HydrophobicContact CB-CB 4.1Å; R472-I500 HydrophobicContact CB-CG1 4.16Å
473	Y	98.1	Very high	92.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.8	-179.7	169.3	-102.4	0	0	0	110.1	F354 I425 F426 W475 P486 V487 A496 P497 P498 F499	F354-Y473 HydrophobicContact CZ-CE1 4.17Å; I425-Y473 HydrophobicContact CD1-CD2 4.38Å; I425-Y473 HydrophobicContact CD1-CE2 3.75Å; I425-Y473 HydrophobicContact CG1-CD2 4.29Å; I425-Y473 HydrophobicContact CG1-CE2 4.13Å; I425-Y473 HydrophobicContact CG2-CD2 3.77Å; I425-Y473 HydrophobicContact CG2-CE2 3.61Å; I425-Y473 WeakPolarHBondContact O-CA 3.15Å; F426-Y473 AromaticContact CD1-CD2 3.83Å; F426-Y473 HydrophobicContact CD1-CD2 3.83Å; F426-Y473 HydrophobicContact CD1-CG 4.3Å; F426-Y473 AromaticContact CD2-CD2 3.96Å; F426-Y473 HydrophobicContact CD2-CD2 3.96Å; F426-Y473 HydrophobicContact CD2-CE2 4.44Å; F426-Y473 AromaticContact CE1-CD2 3.44Å; F426-Y473 HydrophobicContact CE1-CD2 3.44Å; F426-Y473 VanDerWaalsContact CE1-CD2 3.44Å; F426-Y473 HydrophobicContact CE1-CE2 4.36Å; F426-Y473 AromaticContact CE1-CG 3.89Å; F426-Y473 HydrophobicContact CE1-CG 3.89Å; F426-Y473 AromaticContact CE2-CD2 3.57Å; F426-Y473 HydrophobicContact CE2-CD2 3.57Å; F426-Y473 AromaticContact CE2-CE2 3.81Å; F426-Y473 HydrophobicContact CE2-CE2 3.81Å; F426-Y473 HydrophobicContact CG-CD2 4.08Å; F426-Y473 AromaticContact CZ-CD2 3.3Å; F426-Y473 HydrophobicContact CZ-CD2 3.3Å; F426-Y473 AromaticContact CZ-CE2 3.77Å; F426-Y473 HydrophobicContact CZ-CE2 3.77Å; F426-Y473 HydrophobicContact CZ-CG 4.11Å; Y473-W475 VanDerWaalsContact C-N 3.26Å; Y473-W475 PolarHBondContact O-N 3.37Å; Y473-P486 HydrophobicContact CE2-CB 4.49Å; Y473-V487 HydrophobicContact CE2-CG2 4.03Å; Y473-V487 PolarHBondContact OH-N 3.29Å; Y473-A496 HydrophobicContact CE1-CB 3.9Å; Y473-P497 WeakPolarHBondContact CD1-O 3.25Å; Y473-P498 VanDerWaalsContact O-CA 3.27Å; Y473-P498 WeakPolarHBondContact O-CA 3.43Å; Y473-P498 WeakPolarHBondContact O-CB 3.15Å; Y473-F499 HydrophobicContact CD1-CD1 4.12Å; Y473-F499 HydrophobicContact CD1-CE1 4.11Å; Y473-F499 HydrophobicContact CG-CD1 4.21Å; Y473-F499 AromaticContact CG-CE1 3.83Å; Y473-F499 HydrophobicContact CG-CE1 3.83Å; Y473-F499 PolarHBondContact N-O 3.5Å; Y473-F499 PolarHBondContact O-N 2.93Å
474	G	96.8	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	67.2	27.7	174.9	0	0	0	0	0	113.2	I425 S476	I425-G474 PolarHBondContact O-N 2.88Å; G474-S476 VanDerWaalsContact C-N 3.27Å; G474-S476 PolarHBondContact O-N 3.07Å; G474-S476 VanDerWaalsContact O-N 3.13Å
475	W	96.6	Very high	93.7	Very high	14 Å²	14	29.2 Å²	29.2	5%	0.053	16%	0.161	C	C	.	.			trans	-90.4	53.6	-171.8	-149.9	-82.3	0	0	0	112.7	D324 P327 D328 W331 R472 Y473 I500	D324-W475 PolarHBondContact OD2-NE1 2.67Å; P327-W475 HydrophobicContact CB-CB 4.5Å; P327-W475 HydrophobicContact CB-CD2 4.07Å; P327-W475 HydrophobicContact CB-CG 3.93Å; P327-W475 HydrophobicContact CG-CG 4.47Å; D328-W475 WeakPolarHBondContact OD1-CZ2 3.33Å; W331-W475 HydrophobicContact CB-CH2 3.53Å; W331-W475 HydrophobicContact CB-CZ2 4.46Å; W331-W475 HydrophobicContact CB-CZ3 3.95Å; W331-W475 AromaticContact CD1-CH2 3.96Å; W331-W475 HydrophobicContact CD2-CH2 4.07Å; W331-W475 HydrophobicContact CD2-CZ3 4.15Å; W331-W475 HydrophobicContact CE3-CZ3 4.27Å; W331-W475 AromaticContact CG-CH2 3.56Å; W331-W475 HydrophobicContact CG-CH2 3.56Å; W331-W475 HydrophobicContact CG-CZ3 4.04Å; R472-W475 HydrophobicContact CB-CB 4.3Å; R472-W475 HydrophobicContact CB-CD2 4.5Å; R472-W475 HydrophobicContact CB-CE3 4.27Å; R472-W475 VanDerWaalsContact CD-CB 3.49Å; R472-W475 VanDerWaalsContact CD-CG 3.45Å; R472-W475 HydrophobicContact CG-CB 3.79Å; R472-W475 HydrophobicContact CG-CG 4.22Å; Y473-W475 VanDerWaalsContact C-N 3.26Å; Y473-W475 PolarHBondContact O-N 3.37Å; W475-I500 HydrophobicContact CE3-CB 4.21Å; W475-I500 HydrophobicContact CH2-CB 3.97Å; W475-I500 HydrophobicContact CH2-CG2 3.57Å; W475-I500 HydrophobicContact CZ2-CG2 4.49Å; W475-I500 HydrophobicContact CZ3-CB 3.68Å; W475-I500 HydrophobicContact CZ3-CG2 3.67Å
476	S	95.4	Very high	95	Very high	44 Å²	44	26.9 Å²	26.9	31%	0.308	15%	0.145	S	C	.	.	S	Bend	trans	-141.9	162.5	170.3	67.1	0	0	0	0	109.4	R330 G474 W478 P479	R330-S476 PolarHBondContact NH1-O 3.47Å; G474-S476 VanDerWaalsContact C-N 3.27Å; G474-S476 PolarHBondContact O-N 3.07Å; G474-S476 VanDerWaalsContact O-N 3.13Å; S476-W478 VanDerWaalsContact C-N 3.27Å; S476-W478 PolarHBondContact O-N 2.91Å; S476-W478 PolarHBondContact OG-O 2.86Å; S476-P479 WeakPolarHBondContact OG-CA 3.4Å; S476-P479 WeakPolarHBondContact OG-CB 3.15Å
477	D	96.8	Very high	96	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.027	12%	0.119	C	C	.	.	S	Bend	trans	-57.7	-43.7	173.7	-173.9	-14.9	0	0	0	110.7	T316 Y317 K318 A321 F326 R330 P479	T316-D477 WeakPolarHBondContact CG2-O 3.35Å; Y317-D477 PolarHBondContact N-OD1 3.32Å; K318-D477 VanDerWaalsContact N-CG 3.3Å; K318-D477 PolarHBondContact N-OD1 3.41Å; K318-D477 PolarHBondContact N-OD2 3.24Å; K318-D477 WeakPolarHBondContact O-CB 3.42Å; A321-D477 HydrophobicContact CB-CB 3.62Å; F326-D477 HydrophobicContact CB-CB 4.18Å; R330-D477 PolarHBondContact NH2-O 3.39Å; D477-P479 WeakPolarHBondContact O-CD 3.43Å
478	W	97.3	Very high	96.5	Very high	22 Å²	22	21.2 Å²	21.2	8%	0.083	11%	0.111	C	C	.	.	S	Bend	trans	-123.1	82.8	-179.5	-159.5	-64.7	0	0	0	112.2	T316 E319 P357 K359 S476 C480	T316-W478 VanDerWaalsContact CB-CE3 3.43Å; T316-W478 HydrophobicContact CG2-CB 4.47Å; T316-W478 HydrophobicContact CG2-CD2 4.04Å; T316-W478 HydrophobicContact CG2-CE3 4.23Å; T316-W478 HydrophobicContact CG2-CG 4.16Å; T316-W478 VanDerWaalsContact OG1-CZ3 3.3Å; T316-W478 WeakPolarHBondContact OG1-CZ3 3.34Å; E319-W478 HydrophobicContact CB-CD2 4.48Å; E319-W478 HydrophobicContact CB-CG 4.48Å; E319-W478 HydrophobicContact CG-CB 4.39Å; E319-W478 HydrophobicContact CG-CD2 3.49Å; E319-W478 VanDerWaalsContact CG-CD2 3.49Å; E319-W478 HydrophobicContact CG-CE3 3.7Å; E319-W478 HydrophobicContact CG-CG 3.82Å; E319-W478 HydrophobicContact CG-CH2 4.4Å; E319-W478 HydrophobicContact CG-CZ2 4.17Å; E319-W478 HydrophobicContact CG-CZ3 4.17Å; P357-W478 HydrophobicContact CB-CD2 4.25Å; P357-W478 VanDerWaalsContact CB-CE2 3.47Å; P357-W478 HydrophobicContact CB-CH2 3.51Å; P357-W478 HydrophobicContact CB-CZ2 3.08Å; P357-W478 HydrophobicContact CB-CZ3 4.26Å; P357-W478 HydrophobicContact CG-CZ2 3.89Å; K359-W478 HydrophobicContact CB-CH2 4.31Å; K359-W478 HydrophobicContact CB-CZ2 4.49Å; K359-W478 HydrophobicContact CD-CH2 4.49Å; K359-W478 HydrophobicContact CD-CZ2 3.93Å; K359-W478 HydrophobicContact CG-CH2 3.42Å; K359-W478 VanDerWaalsContact CG-CH2 3.42Å; K359-W478 HydrophobicContact CG-CZ2 3.23Å; S476-W478 VanDerWaalsContact C-N 3.27Å; S476-W478 PolarHBondContact O-N 2.91Å; S476-W478 PolarHBondContact OG-O 2.86Å; W478-C480 PolarHBondContact NE1-O 2.64Å
479	P	95.8	Very high	96.7	Very high	18 Å²	18	21.4 Å²	21.4	12%	0.117	11%	0.112	C	C	.	.			trans	-86.5	-16.7	-168.7	34.8	-38.7	0	0	0	114.1	F354 I425 S476 D477	F354-P479 HydrophobicContact CD2-CB 4.46Å; F354-P479 HydrophobicContact CD2-CG 3.2Å; F354-P479 HydrophobicContact CE2-CB 4.41Å; F354-P479 HydrophobicContact CE2-CG 3.52Å; F354-P479 HydrophobicContact CG-CG 4.21Å; I425-P479 HydrophobicContact CD1-CB 4.03Å; I425-P479 HydrophobicContact CG1-CB 4.12Å; S476-P479 WeakPolarHBondContact OG-CA 3.4Å; S476-P479 WeakPolarHBondContact OG-CB 3.15Å; D477-P479 WeakPolarHBondContact O-CD 3.43Å
480	C	96.8	Very high	96.9	Very high	12 Å²	12	25.7 Å²	25.7	8%	0.081	14%	0.142	C	C	.	.	S	Bend	trans	-158.1	163.8	178.3	71	0	0	0	0	112.1	W478 C485	W478-C480 PolarHBondContact NE1-O 2.64Å; C480-C485 HydrophobicContact CB-CB 3.98Å; C480-C485 WeakPolarHBondContact CB-SG 3.28Å; C480-C485 WeakPolarHBondContact SG-CA 3.14Å; C480-C485 WeakPolarHBondContact SG-CB 3.41Å; C480-C485 PolarHBondContact SG-N 3.37Å; C480-C485 VanDerWaalsContact SG-N 3.41Å; C480-C485 CovalentContact SG-SG 2.05Å; C480-C485 PolarHBondContact SG-SG 2.84Å
481	E	96.9	Very high	96.9	Very high	89 Å²	89	28.7 Å²	28.7	42%	0.416	16%	0.163	S	C	.	.	S	Bend	trans	-76.4	169.6	170.9	-64.4	-60.5	138	0	0	111.8	K359 K483 A484	K359-E481 VanDerWaalsContact CE-OE1 3.25Å; K359-E481 WeakPolarHBondContact CE-OE1 3.37Å; K359-E481 WeakPolarHBondContact CE-OE2 3.39Å; K359-E481 IonicContact NZ-OE1 3.18Å; K359-E481 PolarHBondContact NZ-OE1 3.45Å; K359-E481 IonicContact NZ-OE2 3.52Å; K359-E481 PolarHBondContact NZ-OE2 3.26Å; E481-K483 PolarHBondContact O-N 3.38Å; E481-K483 VanDerWaalsContact O-N 3.11Å; E481-A484 HydrophobicContact CB-CB 3.89Å; E481-A484 WeakPolarHBondContact O-CB 3.41Å; E481-A484 PolarHBondContact O-N 3.45Å
482	F	97.5	Very high	96.8	Very high	93 Å²	93	33.7 Å²	33.7	41%	0.408	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	116.2	-179.7	-173.9	-91	0	0	0	112.9	D355 L356 P357 D370 A484	D355-F482 WeakPolarHBondContact O-CA 3.22Å; L356-F482 HydrophobicContact CB-CE2 4.46Å; L356-F482 HydrophobicContact CD2-CD2 4.38Å; L356-F482 HydrophobicContact CD2-CE2 3.86Å; L356-F482 HydrophobicContact CD2-CZ 4.23Å; P357-F482 HydrophobicContact CG-CB 4.37Å; D370-F482 HydrophobicContact CB-CE2 4.1Å; D370-F482 VanDerWaalsContact OD2-CE2 3.28Å; D370-F482 WeakPolarHBondContact OD2-CE2 3.32Å; D370-F482 WeakPolarHBondContact OD2-CZ 3.27Å; F482-A484 PolarHBondContact O-N 3.28Å; F482-A484 VanDerWaalsContact O-N 3.13Å
483	K	97.1	Very high	96.7	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	30.1	-176.5	-62.8	-173.8	179.8	-177	0	114.3	D355 L356 D373 E481 Y488	D355-K483 PolarHBondContact O-N 3.05Å; L356-K483 HydrophobicContact CD2-CG 3.88Å; D373-K483 VanDerWaalsContact OD1-CE 3.24Å; D373-K483 WeakPolarHBondContact OD1-CE 3.17Å; D373-K483 IonicContact OD1-NZ 3.39Å; D373-K483 PolarHBondContact OD1-NZ 2.92Å; D373-K483 VanDerWaalsContact OD2-CE 3.23Å; D373-K483 WeakPolarHBondContact OD2-CE 3.47Å; D373-K483 IonicContact OD2-NZ 3.77Å; D373-K483 PolarHBondContact OD2-NZ 3.08Å; E481-K483 PolarHBondContact O-N 3.38Å; E481-K483 VanDerWaalsContact O-N 3.11Å; K483-Y488 VanDerWaalsContact CA-OH 3.23Å; K483-Y488 WeakPolarHBondContact CA-OH 3.01Å
484	A	96.8	Very high	96.7	Very high	48 Å²	48	37.9 Å²	37.9	40%	0.397	21%	0.208	S	C	.	.			trans	-118.8	19.6	-174.9	0	0	0	0	0	112.8	E481 F482	E481-A484 HydrophobicContact CB-CB 3.89Å; E481-A484 WeakPolarHBondContact O-CB 3.41Å; E481-A484 PolarHBondContact O-N 3.45Å; F482-A484 PolarHBondContact O-N 3.28Å; F482-A484 VanDerWaalsContact O-N 3.13Å
485	C	97.8	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.			trans	-64.1	148.1	173.9	-93.5	0	0	0	0	112.1	F354 D355 C480 V487 Y488	F354-C485 WeakPolarHBondContact CE2-SG 3.5Å; D355-C485 HydrophobicContact CB-CB 4.08Å; C480-C485 HydrophobicContact CB-CB 3.98Å; C480-C485 WeakPolarHBondContact CB-SG 3.28Å; C480-C485 WeakPolarHBondContact SG-CA 3.14Å; C480-C485 WeakPolarHBondContact SG-CB 3.41Å; C480-C485 PolarHBondContact SG-N 3.37Å; C480-C485 VanDerWaalsContact SG-N 3.41Å; C480-C485 CovalentContact SG-SG 2.05Å; C480-C485 PolarHBondContact SG-SG 2.84Å; C485-V487 VanDerWaalsContact C-N 3.33Å; C485-V487 PolarHBondContact O-N 3.4Å; C485-Y488 HydrophobicContact CB-CE2 3.81Å; C485-Y488 WeakPolarHBondContact O-CD2 2.99Å; C485-Y488 WeakPolarHBondContact O-CE2 3.47Å
486	P	97.8	Very high	96.8	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.045	21%	0.207	C	C	.	.	S	Bend	trans	-66.4	-29.2	-174	-35.6	47.6	0	0	0	115.1	V419 T420 I425 I448 Y473	V419-P486 CarbonylContact C-O 3.52Å; V419-P486 WeakPolarHBondContact CA-O 3.33Å; T420-P486 PolarHBondContact N-O 2.99Å; T420-P486 WeakPolarHBondContact O-CA 3.48Å; T420-P486 VanDerWaalsContact O-CB 3.25Å; T420-P486 WeakPolarHBondContact O-CB 3.47Å; I425-P486 HydrophobicContact CB-CG 4.26Å; I425-P486 HydrophobicContact CD1-CG 3.99Å; I425-P486 HydrophobicContact CG2-CB 4.14Å; I425-P486 HydrophobicContact CG2-CG 3.64Å; I448-P486 HydrophobicContact CD1-CB 3.94Å; Y473-P486 HydrophobicContact CE2-CB 4.49Å
487	V	98.4	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.3	-174.5	-170.6	0	0	0	0	110.8	P397 Y413 I417 F426 I456 Y473 C485 A496	P397-V487 HydrophobicContact CB-CG1 4.44Å; P397-V487 HydrophobicContact CG-CG1 4.46Å; Y413-V487 HydrophobicContact CE1-CG1 3.96Å; Y413-V487 HydrophobicContact CE2-CG1 4.49Å; I417-V487 HydrophobicContact CB-CG1 4.45Å; I417-V487 HydrophobicContact CG2-CG1 4.32Å; F426-V487 HydrophobicContact CE2-CG2 4.16Å; F426-V487 HydrophobicContact CZ-CG2 3.95Å; I456-V487 HydrophobicContact CD1-CG2 3.53Å; Y473-V487 HydrophobicContact CE2-CG2 4.03Å; Y473-V487 PolarHBondContact OH-N 3.29Å; C485-V487 VanDerWaalsContact C-N 3.33Å; C485-V487 PolarHBondContact O-N 3.4Å; V487-A496 HydrophobicContact CB-CB 3.87Å; V487-A496 HydrophobicContact CG1-CB 3.88Å; V487-A496 PolarHBondContact O-N 2.72Å
488	Y	98.6	Very high	97	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	166.2	170.8	-74.8	-97	0	0	0	110.2	D355 P397 I417 F418 K483 C485 K492 L494 P495	D355-Y488 VanDerWaalsContact CB-OH 3.3Å; D355-Y488 WeakPolarHBondContact CB-OH 3.39Å; D355-Y488 WeakPolarHBondContact OD2-CE1 3.06Å; D355-Y488 PolarHBondContact OD2-OH 2.97Å; P397-Y488 WeakPolarHBondContact CG-O 3.43Å; I417-Y488 CarbonylContact C-O 3.26Å; I417-Y488 VanDerWaalsContact CA-O 3.31Å; I417-Y488 WeakPolarHBondContact CA-O 3.2Å; F418-Y488 PolarHBondContact N-O 3.35Å; F418-Y488 PolarHBondContact O-N 2.85Å; K483-Y488 VanDerWaalsContact CA-OH 3.23Å; K483-Y488 WeakPolarHBondContact CA-OH 3.01Å; C485-Y488 HydrophobicContact CB-CE2 3.81Å; C485-Y488 WeakPolarHBondContact O-CD2 2.99Å; C485-Y488 WeakPolarHBondContact O-CE2 3.47Å; Y488-K492 HydrophobicContact CD2-CG 4.45Å; Y488-K492 HydrophobicContact CG-CG 4.21Å; Y488-L494 CarbonylContact C-O 3.56Å; Y488-L494 WeakPolarHBondContact CA-O 3.06Å; Y488-P495 HydrophobicContact CD1-CB 3.96Å; Y488-P495 HydrophobicContact CE1-CB 3.55Å; Y488-P495 HydrophobicContact CE1-CG 4.16Å
489	D	97.5	Very high	96.9	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	163.1	163.4	83.3	-56.7	0	0	0	111.3	P397 G416 F418 S491 K492 N493 L494	P397-D489 VanDerWaalsContact CD-N 3.32Å; P397-D489 HydrophobicContact CG-CB 4.22Å; G416-D489 CarbonylContact O-C 3.47Å; F418-D489 WeakPolarHBondContact CB-O 3.37Å; D489-S491 PolarHBondContact O-N 3.1Å; D489-S491 PolarHBondContact OD1-OG 2.86Å; D489-S491 WeakPolarHBondContact OD2-CB 3.39Å; D489-S491 PolarHBondContact OD2-N 3.13Å; D489-S491 VanDerWaalsContact OD2-N 3.16Å; D489-S491 PolarHBondContact OD2-OG 3.48Å; D489-K492 PolarHBondContact O-N 2.86Å; D489-K492 PolarHBondContact OD1-N 3.47Å; D489-N493 PolarHBondContact OD1-N 3.08Å; D489-L494 HydrophobicContact CB-CB 4.33Å; D489-L494 PolarHBondContact N-O 3.08Å; D489-L494 PolarHBondContact OD1-N 3.41Å
490	S	95.9	Very high	96.9	Very high	89 Å²	89	34.7 Å²	34.7	62%	0.622	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-24.8	-178.2	61.7	0	0	0	0	114.8	G416	G416-S490 PolarHBondContact O-N 2.82Å
491	S	94.2	Very high	96.8	Very high	63 Å²	63	34.1 Å²	34.1	44%	0.441	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.5	177.4	75.6	0	0	0	0	114.4	D489 N493	D489-S491 PolarHBondContact O-N 3.1Å; D489-S491 PolarHBondContact OD1-OG 2.86Å; D489-S491 WeakPolarHBondContact OD2-CB 3.39Å; D489-S491 PolarHBondContact OD2-N 3.13Å; D489-S491 VanDerWaalsContact OD2-N 3.16Å; D489-S491 PolarHBondContact OD2-OG 3.48Å; S491-N493 VanDerWaalsContact C-N 3.27Å; S491-N493 WeakPolarHBondContact CB-ND2 3.44Å; S491-N493 PolarHBondContact O-N 2.7Å; S491-N493 PolarHBondContact OG-ND2 3.25Å
492	K	94.6	Very high	96.5	Very high	105 Å²	105	31 Å²	31	46%	0.457	17%	0.172	S	C	.	.	S	Bend	trans	60.3	31.9	-178.3	-155.4	-171.9	174.9	-178.5	0	113.7	F418 Y488 D489	F418-K492 HydrophobicContact CD1-CD 4.07Å; F418-K492 HydrophobicContact CD1-CG 3.94Å; F418-K492 HydrophobicContact CE1-CD 3.9Å; F418-K492 HydrophobicContact CE1-CG 4.28Å; F418-K492 HydrophobicContact CG-CG 4.34Å; F418-K492 HydrophobicContact CZ-CD 4.27Å; Y488-K492 HydrophobicContact CD2-CG 4.45Å; Y488-K492 HydrophobicContact CG-CG 4.21Å; D489-K492 PolarHBondContact O-N 2.86Å; D489-K492 PolarHBondContact OD1-N 3.47Å
493	N	93.9	Very high	96.1	Very high	95 Å²	95	30.4 Å²	30.4	51%	0.508	17%	0.167	S	C	.	.			trans	-106.7	-36	-178.4	-70.7	-40.3	0	0	0	112.4	R377 D489 S491	R377-N493 PolarHBondContact NH2-O 3.4Å; D489-N493 PolarHBondContact OD1-N 3.08Å; S491-N493 VanDerWaalsContact C-N 3.27Å; S491-N493 WeakPolarHBondContact CB-ND2 3.44Å; S491-N493 PolarHBondContact O-N 2.7Å; S491-N493 PolarHBondContact OG-ND2 3.25Å
494	L	98	Very high	95.4	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	17%	0.165	C	C	.	.	S	Bend	trans	-117	112.3	-173.1	-61.2	175.7	0	0	0	110.5	R377 L380 Y488 D489	R377-L494 HydrophobicContact CG-CD2 3.91Å; L380-L494 HydrophobicContact CD1-CD2 4.06Å; Y488-L494 CarbonylContact C-O 3.56Å; Y488-L494 WeakPolarHBondContact CA-O 3.06Å; D489-L494 HydrophobicContact CB-CB 4.33Å; D489-L494 PolarHBondContact N-O 3.08Å; D489-L494 PolarHBondContact OD1-N 3.41Å
495	P	98.3	Very high	94.3	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.013	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-71.4	147.8	178.1	30.8	-37.2	0	0	0	110.8	V352 D355 R377 G396 Y488	V352-P495 HydrophobicContact CB-CG 3.84Å; V352-P495 HydrophobicContact CG1-CB 4.3Å; V352-P495 HydrophobicContact CG1-CG 3.53Å; D355-P495 HydrophobicContact CB-CB 4.3Å; D355-P495 HydrophobicContact CB-CG 4.45Å; R377-P495 VanDerWaalsContact CZ-CD 3.48Å; G396-P495 WeakPolarHBondContact CA-O 3.24Å; Y488-P495 HydrophobicContact CD1-CB 3.96Å; Y488-P495 HydrophobicContact CE1-CB 3.55Å; Y488-P495 HydrophobicContact CE1-CG 4.16Å
496	A	98.2	Very high	92.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-59.9	133.7	166.7	0	0	0	0	0	109.9	F354 P397 Y473 V487	F354-A496 WeakPolarHBondContact CE1-O 3.22Å; F354-A496 WeakPolarHBondContact CZ-O 3.34Å; P397-A496 WeakPolarHBondContact O-CB 3.31Å; Y473-A496 HydrophobicContact CE1-CB 3.9Å; V487-A496 HydrophobicContact CB-CB 3.87Å; V487-A496 HydrophobicContact CG1-CB 3.88Å; V487-A496 PolarHBondContact O-N 2.72Å
497	P	97.8	Very high	91	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.039	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66.9	160.6	172.1	31	-35.3	0	0	0	110.7	G338 M350 V352 F398 Y473	G338-P497 WeakPolarHBondContact O-CB 3.49Å; G338-P497 WeakPolarHBondContact O-CG 3.27Å; M350-P497 HydrophobicContact CE-CB 4.11Å; V352-P497 HydrophobicContact CG2-CB 3.91Å; F398-P497 HydrophobicContact CD2-CG 3.77Å; F398-P497 HydrophobicContact CE2-CG 4.24Å; Y473-P497 WeakPolarHBondContact CD1-O 3.25Å
498	P	97.4	Very high	89.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-64.2	150.1	171.4	32.4	-34.6	0	0	0	109.6	Q313 R330 F354 Y473	Q313-P498 VanDerWaalsContact NE2-CD 3.28Å; R330-P498 HydrophobicContact CB-CG 3.83Å; F354-P498 VanDerWaalsContact CE1-CD 3.47Å; F354-P498 HydrophobicContact CE1-CG 4.45Å; Y473-P498 VanDerWaalsContact O-CA 3.27Å; Y473-P498 WeakPolarHBondContact O-CA 3.43Å; Y473-P498 WeakPolarHBondContact O-CB 3.15Å
499	F	96.5	Very high	88.5	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.3	174.5	69.9	-96.6	0	0	0	111.9	W331 F398 P399 I402 F426 L471 R472 Y473 A501	W331-F499 HydrophobicContact CZ3-CB 3.96Å; F398-F499 HydrophobicContact CE2-CB 3.72Å; F398-F499 HydrophobicContact CE2-CG 4.5Å; F398-F499 HydrophobicContact CZ-CB 3.97Å; P399-F499 HydrophobicContact CG-CD1 3.55Å; P399-F499 HydrophobicContact CG-CD2 4.04Å; P399-F499 HydrophobicContact CG-CE1 3.28Å; P399-F499 HydrophobicContact CG-CE2 3.82Å; P399-F499 HydrophobicContact CG-CG 3.93Å; P399-F499 HydrophobicContact CG-CZ 3.44Å; P399-F499 VanDerWaalsContact CG-CZ 3.44Å; I402-F499 HydrophobicContact CD1-CE2 4.49Å; F426-F499 HydrophobicContact CD1-CZ 4.48Å; F426-F499 HydrophobicContact CE1-CE1 4.2Å; F426-F499 AromaticContact CE1-CZ 3.95Å; F426-F499 HydrophobicContact CE1-CZ 3.95Å; L471-F499 HydrophobicContact CD2-CE2 4.08Å; L471-F499 HydrophobicContact CD2-CZ 4.2Å; L471-F499 HydrophobicContact CG-CE2 4.1Å; L471-F499 HydrophobicContact CG-CZ 4.47Å; R472-F499 CarbonylContact C-O 3.47Å; R472-F499 WeakPolarHBondContact CA-O 3.43Å; R472-F499 VanDerWaalsContact CB-O 3.31Å; R472-F499 WeakPolarHBondContact CB-O 3.47Å; Y473-F499 HydrophobicContact CD1-CD1 4.12Å; Y473-F499 HydrophobicContact CD1-CE1 4.11Å; Y473-F499 HydrophobicContact CG-CD1 4.21Å; Y473-F499 AromaticContact CG-CE1 3.83Å; Y473-F499 HydrophobicContact CG-CE1 3.83Å; Y473-F499 PolarHBondContact N-O 3.5Å; Y473-F499 PolarHBondContact O-N 2.93Å; F499-A501 HydrophobicContact CD2-CB 4.34Å
500	I	94.9	Very high	87.8	Confident	24 Å²	24	50.5 Å²	50.5	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.4	163.2	-176.5	167	0	0	0	108.9	W331 W443 R472 W475	W331-I500 HydrophobicContact CD2-CG2 3.92Å; W331-I500 HydrophobicContact CE3-CG2 4.39Å; W331-I500 HydrophobicContact CG-CG2 4.42Å; W331-I500 HydrophobicContact CH2-CG2 4.21Å; W331-I500 HydrophobicContact CZ2-CG2 3.69Å; W443-I500 HydrophobicContact CH2-CD1 3.65Å; W443-I500 HydrophobicContact CH2-CG1 4.03Å; W443-I500 HydrophobicContact CZ2-CD1 3.64Å; R472-I500 HydrophobicContact CB-CB 4.1Å; R472-I500 HydrophobicContact CB-CG1 4.16Å; W475-I500 HydrophobicContact CE3-CB 4.21Å; W475-I500 HydrophobicContact CH2-CB 3.97Å; W475-I500 HydrophobicContact CH2-CG2 3.57Å; W475-I500 HydrophobicContact CZ2-CG2 4.49Å; W475-I500 HydrophobicContact CZ3-CB 3.68Å; W475-I500 HydrophobicContact CZ3-CG2 3.67Å
501	A	93.8	Very high	87.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.2	-178.1	0	0	0	0	0	109.1	I402 A470 L471 F499 I509 W510	I402-A501 HydrophobicContact CD1-CB 3.5Å; I402-A501 VanDerWaalsContact CD1-CB 3.5Å; A470-A501 WeakPolarHBondContact CA-O 3.25Å; A470-A501 WeakPolarHBondContact CB-O 3.13Å; L471-A501 PolarHBondContact N-O 3.22Å; L471-A501 VanDerWaalsContact N-O 3.1Å; L471-A501 PolarHBondContact O-N 3.3Å; F499-A501 HydrophobicContact CD2-CB 4.34Å; A501-I509 HydrophobicContact CB-CD1 3.64Å; A501-I509 HydrophobicContact CB-CG1 4.34Å; A501-W510 HydrophobicContact CB-CZ2 4.25Å; A501-W510 VanDerWaalsContact O-CZ2 3.23Å; A501-W510 PolarHBondContact O-NE1 2.96Å; A501-W510 WeakPolarHBondContact O-CZ2 3.21Å
502	N	91.8	Very high	87	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.8	174	-85.8	-65	0	0	0	111.8	C437 A470 Y504 A505 N507	C437-N502 PolarHBondContact N-OD1 3.14Å; C437-N502 PolarHBondContact O-ND2 2.86Å; C437-N502 PolarHBondContact O-OD1 2.86Å; A470-N502 WeakPolarHBondContact CB-OD1 2.93Å; N502-Y504 PolarHBondContact O-N 3.03Å; N502-A505 HydrophobicContact CB-CB 3.57Å; N502-N507 VanDerWaalsContact O-CB 3.26Å; N502-N507 WeakPolarHBondContact O-CB 3.22Å
503	R	88	Confident	86.6	Confident	79 Å²	79	44.7 Å²	44.7	30%	0.298	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.2	-177.3	-175.6	174.4	-177.2	-172.1	-0.3	113.6	V468 A469 W510	V468-R503 WeakPolarHBondContact O-CD 3.43Å; V468-R503 PolarHBondContact O-NH1 2.95Å; A469-R503 WeakPolarHBondContact O-CB 3.06Å; A469-R503 PolarHBondContact O-N 2.03Å; R503-W510 HydrophobicContact CB-CG 3.83Å; R503-W510 HydrophobicContact CG-CG 3.98Å; R503-W510 HydrophobicContact CG-CE3 4.07Å; R503-W510 HydrophobicContact CG-CD2 3.97Å; R503-W510 HydrophobicContact CG-CB 4.01Å; R503-W510 HydrophobicContact CB-CE3 4.1Å; R503-W510 HydrophobicContact CB-CD2 3.69Å; R503-W510 HydrophobicContact CB-CB 4.37Å; R503-W510 VanDerWaalsContact CA-CD1 3.41Å
504	Y	83.1	Confident	86.2	Confident	76 Å²	76	41.7 Å²	41.7	30%	0.298	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	3.1	-172.9	-54.6	-66.2	0	0	0	113.5	N434 A469 N502 G506	N434-Y504 VanDerWaalsContact CA-CE2 3.49Å; N434-Y504 HydrophobicContact CB-CD1 4.17Å; N434-Y504 HydrophobicContact CB-CD2 4.34Å; N434-Y504 HydrophobicContact CB-CE1 3.79Å; N434-Y504 HydrophobicContact CB-CE2 3.97Å; N434-Y504 HydrophobicContact CB-CG 4.43Å; N434-Y504 WeakPolarHBondContact O-CB 3.36Å; N434-Y504 WeakPolarHBondContact O-CD2 3.4Å; N434-Y504 PolarHBondContact OD1-OH 3.19Å; A469-Y504 HydrophobicContact CB-CD2 4.18Å; A469-Y504 HydrophobicContact CB-CE2 3.86Å; N502-Y504 PolarHBondContact O-N 3.03Å; Y504-G506 VanDerWaalsContact C-N 3.29Å; Y504-G506 PolarHBondContact O-N 2.02Å
505	A	74.6	Confident	85.4	Confident	63 Å²	63	43.8 Å²	43.8	52%	0.521	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	18.3	-179.9	0	0	0	0	0	113.8	N502 N507	N502-A505 HydrophobicContact CB-CB 3.57Å; A505-N507 PolarHBondContact O-N 3.1Å
506	G	62.8	Low	84.6	Confident	72 Å²	72	46.6 Å²	46.6	74%	0.742	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	17.4	-175.5	0	0	0	0	0	114.2	Y504 Q508	Y504-G506 VanDerWaalsContact C-N 3.29Å; Y504-G506 PolarHBondContact O-N 2.02Å; G506-Q508 PolarHBondContact O-N 3.14Å
507	N	61.9	Low	83.6	Confident	67 Å²	67	49.9 Å²	49.9	36%	0.358	27%	0.272	S	S	.	.			trans	-76.7	122	-176.9	-140.4	-3.3	0	0	0	110.2	N502 A505 I509	N502-N507 VanDerWaalsContact O-CB 3.26Å; N502-N507 WeakPolarHBondContact O-CB 3.22Å; A505-N507 PolarHBondContact O-N 3.1Å; N507-I509 PolarHBondContact O-N 3.26Å; N507-I509 VanDerWaalsContact O-N 3.1Å
508	Q	64.9	Low	82.5	Confident	191 Å²	191	53.2 Å²	53.2	89%	0.893	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.4	-169.3	-66.7	-169.5	-10.9	0	0	115	G506	G506-Q508 PolarHBondContact O-N 3.14Å
509	I	81.3	Confident	81.3	Confident	31 Å²	31	57.6 Å²	57.6	16%	0.159	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.2	-176.7	63	175.2	0	0	0	113.8	V401 I402 A501 N507	V401-I509 CarbonylContact C-O 3.53Å; V401-I509 WeakPolarHBondContact CA-O 3.41Å; I402-I509 HydrophobicContact CD1-CD1 3.82Å; I402-I509 HydrophobicContact CD1-CG1 4.22Å; I402-I509 PolarHBondContact N-O 2.7Å; A501-I509 HydrophobicContact CB-CD1 3.64Å; A501-I509 HydrophobicContact CB-CG1 4.34Å; N507-I509 PolarHBondContact O-N 3.26Å; N507-I509 VanDerWaalsContact O-N 3.1Å
510	W	81.7	Confident	79.9	Confident	62 Å²	62	62.7 Å²	62.7	24%	0.235	34%	0.342	C	S	.	.			trans	-98.8	0	-178.4	-81	97.6	0	0	0	115.3	I402 P404 V468 L471 A501 R503	I402-W510 HydrophobicContact CB-CD2 4.19Å; I402-W510 HydrophobicContact CB-CE3 4.12Å; I402-W510 HydrophobicContact CB-CZ3 4.37Å; I402-W510 HydrophobicContact CD1-CZ2 4.37Å; I402-W510 HydrophobicContact CG2-CD2 4.1Å; I402-W510 HydrophobicContact CG2-CE3 3.69Å; I402-W510 HydrophobicContact CG2-CH2 3.61Å; I402-W510 HydrophobicContact CG2-CZ2 4Å; I402-W510 HydrophobicContact CG2-CZ3 3.44Å; I402-W510 VanDerWaalsContact CG2-CZ3 3.44Å; P404-W510 HydrophobicContact CG-CZ3 4.35Å; V468-W510 HydrophobicContact CG1-CH2 3.82Å; V468-W510 HydrophobicContact CG1-CZ3 4.15Å; L471-W510 HydrophobicContact CB-CH2 3.94Å; L471-W510 HydrophobicContact CB-CZ2 3.79Å; A501-W510 HydrophobicContact CB-CZ2 4.25Å; A501-W510 VanDerWaalsContact O-CZ2 3.23Å; A501-W510 PolarHBondContact O-NE1 2.96Å; A501-W510 WeakPolarHBondContact O-CZ2 3.21Å; R503-W510 HydrophobicContact CB-CG 3.83Å; R503-W510 HydrophobicContact CG-CG 3.98Å; R503-W510 HydrophobicContact CG-CE3 4.07Å; R503-W510 HydrophobicContact CG-CD2 3.97Å; R503-W510 HydrophobicContact CG-CB 4.01Å; R503-W510 HydrophobicContact CB-CE3 4.1Å; R503-W510 HydrophobicContact CB-CD2 3.69Å; R503-W510 HydrophobicContact CB-CB 4.37Å; R503-W510 VanDerWaalsContact CA-CD1 3.41Å

Retrieved 510 of 510 residues in 683.2 ms (Link to these results)

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