A0A077Z2F0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z2F0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 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	48.6	Very low	57.3	Low	243 Å²	243	195.9 Å²	195.9	100%	1.197	90%	0.9	S	S	*	*				0	132.4	0	-66.6	176	177.8	0	0	109
2	F	45.3	Very low	58.4	Low	215 Å²	215	188.4 Å²	188.4	94%	0.943	89%	0.887	S	S	*	*			trans	-90.8	122.4	175.5	-67.3	-82.2	0	0	0	110.3	T4	F2-T4 PolarHBondContact O-N 3.48Å
3	R	47.3	Very low	58.4	Low	249 Å²	249	183.1 Å²	183.1	94%	0.94	87%	0.874	S	S	*	*			trans	-87.3	104.4	-178.7	-144.5	175.4	-171.5	-175.8	2.2	109.4	K5	R3-K5 PolarHBondContact O-N 3.48Å
4	T	54.6	Low	58.2	Low	133 Å²	133	177.2 Å²	177.2	82%	0.816	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.6	131.4	-179.2	43.1	0	0	0	0	111.4	F2 K6	F2-T4 PolarHBondContact O-N 3.48Å; T4-K6 PolarHBondContact O-N 3.27Å
5	K	53.5	Low	58.6	Low	207 Å²	207	173.3 Å²	173.3	90%	0.9	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-73.6	117.1	175.8	-68	178.8	-179.9	174.8	0	109.1	R3 K7	R3-K5 PolarHBondContact O-N 3.48Å; K5-K7 PolarHBondContact O-N 2.73Å
6	K	61.7	Low	58.9	Low	208 Å²	208	172.4 Å²	172.4	90%	0.904	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-58.8	133	169.6	-74.1	-171.9	174.5	-174.7	0	109.5	T4	T4-K6 PolarHBondContact O-N 3.27Å
7	K	67.3	Low	58.1	Low	206 Å²	206	173.4 Å²	173.4	90%	0.896	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-60.5	146.9	167.3	-92.6	-171	172.3	-172.5	0	109.6	K5	K5-K7 PolarHBondContact O-N 2.73Å
8	R	61.1	Low	58.1	Low	232 Å²	232	170.5 Å²	170.5	88%	0.875	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.2	139.9	161.9	-113.9	-178.4	177	-176	-2	108.4
9	P	68.2	Low	58.2	Low	110 Å²	110	169.5 Å²	169.5	71%	0.714	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.5	139	166.6	29.3	-33.3	0	0	0	109.7
10	E	63.7	Low	58.1	Low	198 Å²	198	171.2 Å²	171.2	93%	0.925	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.6	138.9	165.1	-69.5	175.4	144.4	0	0	108.3
11	I	58.4	Low	58.1	Low	154 Å²	154	166.6 Å²	166.6	79%	0.79	81%	0.805	S	S	*	*			trans	-115.7	123.1	-179.6	-57.1	176	0	0	0	106.6
12	S	71	Confident	58.9	Low	106 Å²	106	161.6 Å²	161.6	74%	0.741	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68.4	158	177.8	58.7	0	0	0	0	111.8
13	V	58.4	Low	59.7	Low	119 Å²	119	153.8 Å²	153.8	72%	0.721	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.5	151.1	164.7	-67.4	0	0	0	0	110.5
14	P	55.1	Low	60.4	Low	101 Å²	101	143.1 Å²	143.1	66%	0.656	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-63.9	143.6	175.8	-21.6	33.9	0	0	0	112.5	F17	P14-F17 HydrophobicContact CB-CD2 4.01Å; P14-F17 HydrophobicContact CB-CE2 3.65Å; P14-F17 HydrophobicContact CG-CE2 4.12Å
15	T	64	Low	61	Low	118 Å²	118	141.5 Å²	141.5	72%	0.724	70%	0.702	S	S	*	*			trans	-126.2	161.4	170.9	53.5	0	0	0	0	109.7
16	N	63.5	Low	61.8	Low	160 Å²	160	133.8 Å²	133.8	86%	0.856	67%	0.67	S	S	*	*			trans	51.1	57	-177.2	-66.7	8.2	0	0	0	114.7	E18	N16-E18 PolarHBondContact O-N 3.15Å
17	F	45.7	Very low	61.8	Low	188 Å²	188	130 Å²	130	83%	0.825	67%	0.667	S	S	*	*			trans	-71	115.1	168	-109.1	-77.4	0	0	0	110.9	P14	P14-F17 HydrophobicContact CB-CD2 4.01Å; P14-F17 HydrophobicContact CB-CE2 3.65Å; P14-F17 HydrophobicContact CG-CE2 4.12Å
18	E	59.2	Low	61.9	Low	122 Å²	122	129.1 Å²	129.1	57%	0.57	67%	0.666	S	S	*	*			trans	-104.9	128.1	170.6	-70.5	-178.4	159.9	0	0	111.1	N16 R20	N16-E18 PolarHBondContact O-N 3.15Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 HydrophobicContact CB-CG 3.95Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-R20 IonicContact OE2-CZ 3.02Å; E18-R20 IonicContact OE2-NE 2.68Å; E18-R20 PolarHBondContact OE2-NE 3.36Å; E18-R20 IonicContact OE2-NH2 3.12Å; E18-R20 PolarHBondContact OE2-NH2 3.26Å
19	H	58.5	Low	62.7	Low	152 Å²	152	121.4 Å²	121.4	70%	0.704	65%	0.648	S	S	*	*			trans	-79.5	80.3	173.1	179.1	-122.1	0	0	0	110.3	H22	H19-H22 AromaticContact CE1-CG 3.93Å; H19-H22 AromaticContact CE1-ND1 3.57Å; H19-H22 AromaticContact NE2-ND1 3.59Å
20	R	56.3	Low	62.8	Low	203 Å²	203	118.5 Å²	118.5	77%	0.766	64%	0.638	S	S	*	*			trans	-79.9	-20.1	-174	-68.3	-173.2	173.7	-162.9	-4.3	115.5	E18	E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 HydrophobicContact CB-CG 3.95Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-R20 IonicContact OE2-CZ 3.02Å; E18-R20 IonicContact OE2-NE 2.68Å; E18-R20 PolarHBondContact OE2-NE 3.36Å; E18-R20 IonicContact OE2-NH2 3.12Å; E18-R20 PolarHBondContact OE2-NH2 3.26Å
21	V	58.9	Low	62.8	Low	74 Å²	74	112.2 Å²	112.2	45%	0.448	62%	0.616	S	S	.	*			trans	-143.5	126	-178.8	-174.9	0	0	0	0	109.3	G34 P36	V21-G34 WeakPolarHBondContact CG1-O 3.39Å; V21-P36 HydrophobicContact CG1-CG 4.11Å
22	H	64.8	Low	63.1	Low	138 Å²	138	110.2 Å²	110.2	64%	0.639	60%	0.601	S	S	*	*			trans	-107.6	119.9	169.6	-171.5	69.6	0	0	0	109	H19 G34	H19-H22 AromaticContact CE1-CG 3.93Å; H19-H22 AromaticContact CE1-ND1 3.57Å; H19-H22 AromaticContact NE2-ND1 3.59Å; H22-G34 CarbonylContact O-C 3.58Å; H22-G34 WeakPolarHBondContact O-CA 3.31Å; H22-G34 VanDerWaalsContact O-O 3.11Å
23	T	62.6	Low	63.3	Low	52 Å²	52	108.6 Å²	108.6	32%	0.319	59%	0.587	S	S	.	*			trans	-114.1	127.2	178	-54.4	0	0	0	0	109.6	V33 G34 L35	T23-V33 WeakPolarHBondContact CA-O 3.41Å; T23-V33 WeakPolarHBondContact CG2-O 3.17Å; T23-G34 PolarHBondContact OG1-O 3.18Å; T23-L35 HydrophobicContact CG2-CD2 3.72Å; T23-L35 HydrophobicContact CG2-CG 4.01Å
24	G	61.1	Low	64.1	Low	25 Å²	25	104.6 Å²	104.6	26%	0.258	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131	-175.4	177.7	0	0	0	0	0	111.8	F32 V33	G24-F32 CarbonylContact O-C 3.59Å; G24-F32 WeakPolarHBondContact O-CA 3.29Å; G24-V33 PolarHBondContact N-O 3.48Å; G24-V33 PolarHBondContact O-N 3.24Å
25	I	67.2	Low	64.6	Low	99 Å²	99	100.8 Å²	100.8	51%	0.508	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130	169.5	-66.1	171.5	0	0	0	106.8	P27 F32	I25-P27 WeakPolarHBondContact O-CD 3.31Å; I25-F32 HydrophobicContact CD1-CD1 4.39Å; I25-F32 HydrophobicContact CD1-CE1 3.82Å; I25-F32 HydrophobicContact CD1-CZ 4.25Å; I25-F32 HydrophobicContact CG1-CD1 3.7Å; I25-F32 HydrophobicContact CG1-CE1 3.64Å; I25-F32 HydrophobicContact CG1-CG 4.49Å; I25-F32 HydrophobicContact CG1-CZ 4.39Å
26	D	71.4	Confident	64.8	Low	45 Å²	45	96.2 Å²	96.2	24%	0.241	52%	0.517	C	S	.	.			trans	-69.8	120.8	168.1	162.7	34	0	0	0	109.4	Q28 S29 G30 S31 V33	D26-Q28 PolarHBondContact O-N 2.64Å; D26-Q28 PolarHBondContact OD1-N 3.36Å; D26-S29 WeakPolarHBondContact OD2-CB 3.43Å; D26-S29 PolarHBondContact OD2-N 2.92Å; D26-S29 PolarHBondContact OD2-OG 3.13Å; D26-G30 VanDerWaalsContact O-CA 3.28Å; D26-G30 WeakPolarHBondContact O-CA 3.37Å; D26-G30 PolarHBondContact O-N 3.44Å; D26-S31 PolarHBondContact N-O 3.31Å; D26-V33 HydrophobicContact CB-CG1 3.87Å
27	P	62.2	Low	64.9	Low	127 Å²	127	95.4 Å²	95.4	83%	0.825	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.2	180	-23.1	34.7	0	0	0	114.9	I25	I25-P27 WeakPolarHBondContact O-CD 3.31Å
28	Q	69.3	Low	65.7	Low	188 Å²	188	93.2 Å²	93.2	88%	0.879	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-48.4	-177.3	-66.3	-170.8	-6.8	0	0	112.7	D26	D26-Q28 PolarHBondContact O-N 2.64Å; D26-Q28 PolarHBondContact OD1-N 3.36Å
29	S	78	Confident	65.9	Low	71 Å²	71	94 Å²	94	50%	0.497	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11	179.2	67.2	0	0	0	0	114.5	D26 S31	D26-S29 WeakPolarHBondContact OD2-CB 3.43Å; D26-S29 PolarHBondContact OD2-N 2.92Å; D26-S29 PolarHBondContact OD2-OG 3.13Å; S29-S31 PolarHBondContact O-N 2.91Å; S29-S31 VanDerWaalsContact O-N 3.13Å; S29-S31 VanDerWaalsContact OG-CB 3.25Å; S29-S31 WeakPolarHBondContact OG-CB 3.5Å; S29-S31 PolarHBondContact OG-N 2.77Å; S29-S31 PolarHBondContact OG-OG 3.28Å
30	G	68.4	Low	66.2	Low	49 Å²	49	92.7 Å²	92.7	51%	0.505	49%	0.49	S	S	.	.			trans	64.7	7.3	-169.3	0	0	0	0	0	114.1	D26	D26-G30 VanDerWaalsContact O-CA 3.28Å; D26-G30 WeakPolarHBondContact O-CA 3.37Å; D26-G30 PolarHBondContact O-N 3.44Å
31	S	63.9	Low	66.4	Low	66 Å²	66	86 Å²	86	46%	0.462	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-87.9	147.2	-173.5	-62.6	0	0	0	0	112.4	D26 S29 V33	D26-S31 PolarHBondContact N-O 3.31Å; S29-S31 PolarHBondContact O-N 2.91Å; S29-S31 VanDerWaalsContact O-N 3.13Å; S29-S31 VanDerWaalsContact OG-CB 3.25Å; S29-S31 WeakPolarHBondContact OG-CB 3.5Å; S29-S31 PolarHBondContact OG-N 2.77Å; S29-S31 PolarHBondContact OG-OG 3.28Å; S31-V33 PolarHBondContact O-N 3.22Å
32	F	65.6	Low	66.2	Low	111 Å²	111	87 Å²	87	49%	0.487	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	116.7	176.2	-70.2	-78.3	0	0	0	111.8	G24 I25 L35 I43	G24-F32 CarbonylContact O-C 3.59Å; G24-F32 WeakPolarHBondContact O-CA 3.29Å; I25-F32 HydrophobicContact CD1-CD1 4.39Å; I25-F32 HydrophobicContact CD1-CE1 3.82Å; I25-F32 HydrophobicContact CD1-CZ 4.25Å; I25-F32 HydrophobicContact CG1-CD1 3.7Å; I25-F32 HydrophobicContact CG1-CE1 3.64Å; I25-F32 HydrophobicContact CG1-CG 4.49Å; I25-F32 HydrophobicContact CG1-CZ 4.39Å; F32-L35 HydrophobicContact CB-CD1 3.54Å; F32-L35 HydrophobicContact CB-CD2 4.23Å; F32-L35 HydrophobicContact CB-CG 3.8Å; F32-I43 HydrophobicContact CD2-CD1 4.5Å
33	V	76	Confident	66.1	Low	72 Å²	72	84.7 Å²	84.7	44%	0.436	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.7	176.3	-68.5	0	0	0	0	110.8	T23 G24 D26 S31 L35	T23-V33 WeakPolarHBondContact CA-O 3.41Å; T23-V33 WeakPolarHBondContact CG2-O 3.17Å; G24-V33 PolarHBondContact N-O 3.48Å; G24-V33 PolarHBondContact O-N 3.24Å; D26-V33 HydrophobicContact CB-CG1 3.87Å; S31-V33 PolarHBondContact O-N 3.22Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 3.08Å
34	G	73.8	Confident	65.6	Low	36 Å²	36	88.4 Å²	88.4	37%	0.371	49%	0.486	S	S	.	.	S	Bend	trans	68.8	21.7	-179.9	0	0	0	0	0	115.2	V21 H22 T23	V21-G34 WeakPolarHBondContact CG1-O 3.39Å; H22-G34 CarbonylContact O-C 3.58Å; H22-G34 WeakPolarHBondContact O-CA 3.31Å; H22-G34 VanDerWaalsContact O-O 3.11Å; T23-G34 PolarHBondContact OG1-O 3.18Å
35	L	66.7	Low	65	Low	20 Å²	20	93.9 Å²	93.9	11%	0.105	50%	0.499	C	S	.	.			trans	-63.2	143.1	169.6	-75.9	166.2	0	0	0	112.1	T23 F32 V33 W39 R40 I43	T23-L35 HydrophobicContact CG2-CD2 3.72Å; T23-L35 HydrophobicContact CG2-CG 4.01Å; F32-L35 HydrophobicContact CB-CD1 3.54Å; F32-L35 HydrophobicContact CB-CD2 4.23Å; F32-L35 HydrophobicContact CB-CG 3.8Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 3.08Å; L35-W39 HydrophobicContact CD2-CB 4.02Å; L35-W39 HydrophobicContact CD2-CE3 3.9Å; L35-R40 HydrophobicContact CB-CG 3.86Å; L35-R40 HydrophobicContact CD1-CG 4.2Å; L35-I43 HydrophobicContact CD1-CD1 3.57Å; L35-I43 HydrophobicContact CD2-CD1 3.96Å; L35-I43 HydrophobicContact CG-CD1 4.44Å
36	P	67	Low	63.9	Low	23 Å²	23	94.2 Å²	94.2	15%	0.149	51%	0.51	C	S	.	.			trans	-52.9	147.6	162.3	-22.3	31.8	0	0	0	111.8	V21 Q38 W39 R40	V21-P36 HydrophobicContact CG1-CG 4.11Å; P36-Q38 PolarHBondContact O-N 3.4Å; P36-W39 HydrophobicContact CB-CB 4.44Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.13Å; P36-W39 HydrophobicContact CG-CD2 3.77Å; P36-W39 HydrophobicContact CG-CE3 4.04Å; P36-W39 HydrophobicContact CG-CG 4.02Å; P36-W39 PolarHBondContact O-N 2.94Å; P36-R40 PolarHBondContact O-N 3.28Å; P36-R40 VanDerWaalsContact O-N 3.08Å
37	L	66.6	Low	62.7	Low	142 Å²	142	99.1 Å²	99.1	74%	0.743	54%	0.537	S	S	*	.	H	α-helix	trans	-56.2	-34.1	175.4	-79.9	166.5	0	0	0	112.4	W39	L37-W39 PolarHBondContact O-N 2.88Å
38	Q	62.8	Low	62.2	Low	143 Å²	143	104.4 Å²	104.4	67%	0.668	54%	0.54	S	S	*	.	H	α-helix	trans	-68.6	-15.2	176	-52.9	114.6	-15.3	0	0	113.9	P36 S41	P36-Q38 PolarHBondContact O-N 3.4Å; Q38-S41 PolarHBondContact O-OG 3.01Å
39	W	63.2	Low	61.4	Low	137 Å²	137	102.4 Å²	102.4	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-105.2	-29.4	-178.1	-63.1	7	0	0	0	112	L35 P36 L37 S41 L42 I43	L35-W39 HydrophobicContact CD2-CB 4.02Å; L35-W39 HydrophobicContact CD2-CE3 3.9Å; P36-W39 HydrophobicContact CB-CB 4.44Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.13Å; P36-W39 HydrophobicContact CG-CD2 3.77Å; P36-W39 HydrophobicContact CG-CE3 4.04Å; P36-W39 HydrophobicContact CG-CG 4.02Å; P36-W39 PolarHBondContact O-N 2.94Å; L37-W39 PolarHBondContact O-N 2.88Å; W39-S41 PolarHBondContact O-N 2.95Å; W39-L42 WeakPolarHBondContact O-CB 3.33Å; W39-L42 PolarHBondContact O-N 2.61Å; W39-I43 PolarHBondContact O-N 3.1Å
40	R	65.2	Low	59.7	Low	125 Å²	125	107.7 Å²	107.7	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-54.3	-40.9	168.6	-77.3	-178.2	162.1	161.9	-5.6	111.8	L35 P36 L42 I43 N44	L35-R40 HydrophobicContact CB-CG 3.86Å; L35-R40 HydrophobicContact CD1-CG 4.2Å; P36-R40 PolarHBondContact O-N 3.28Å; P36-R40 VanDerWaalsContact O-N 3.08Å; R40-L42 PolarHBondContact O-N 3.31Å; R40-I43 PolarHBondContact O-N 3.22Å; R40-N44 PolarHBondContact O-N 3.13Å; R40-N44 VanDerWaalsContact O-N 3.1Å
41	S	59.2	Low	58.6	Low	63 Å²	63	110.6 Å²	110.6	44%	0.441	55%	0.55	S	S	.	.	H	α-helix	trans	-70.7	-10.3	175.2	53.8	0	0	0	0	114.9	Q38 W39	Q38-S41 PolarHBondContact O-OG 3.01Å; W39-S41 PolarHBondContact O-N 2.95Å
42	L	55.9	Low	57.8	Low	94 Å²	94	116.5 Å²	116.5	49%	0.492	57%	0.568	S	S	.	*	H	α-helix	trans	-92.6	-15.2	173.4	-66.8	173.2	0	0	0	113.2	W39 R40	W39-L42 WeakPolarHBondContact O-CB 3.33Å; W39-L42 PolarHBondContact O-N 2.61Å; R40-L42 PolarHBondContact O-N 3.31Å
43	I	60.9	Low	56.5	Low	90 Å²	90	116.1 Å²	116.1	46%	0.462	58%	0.576	S	S	.	*	H	α-helix	trans	-111.9	-34.3	-171.1	-64.7	163.3	0	0	0	111.5	F32 L35 W39 R40 W45	F32-I43 HydrophobicContact CD2-CD1 4.5Å; L35-I43 HydrophobicContact CD1-CD1 3.57Å; L35-I43 HydrophobicContact CD2-CD1 3.96Å; L35-I43 HydrophobicContact CG-CD1 4.44Å; W39-I43 PolarHBondContact O-N 3.1Å; R40-I43 PolarHBondContact O-N 3.22Å; I43-W45 PolarHBondContact O-N 2.6Å
44	N	53.7	Low	55.3	Low	130 Å²	130	121.1 Å²	121.1	70%	0.695	60%	0.599	S	S	*	*	S	Bend	trans	-74.6	-2	179.7	-73.6	24.1	0	0	0	114.7	R40	R40-N44 PolarHBondContact O-N 3.13Å; R40-N44 VanDerWaalsContact O-N 3.1Å
45	W	47.9	Very low	53.5	Low	140 Å²	140	123.7 Å²	123.7	53%	0.53	61%	0.607	S	S	.	*			trans	-98.4	106.4	-175.8	-75	64.2	0	0	0	110.5	I43 Q49	I43-W45 PolarHBondContact O-N 2.6Å; W45-Q49 HydrophobicContact CE3-CB 3.94Å; W45-Q49 HydrophobicContact CZ3-CB 3.7Å
46	S	44.3	Very low	52.4	Low	106 Å²	106	125.8 Å²	125.8	74%	0.741	62%	0.618	S	S	*	*			trans	-57.1	140.7	162.9	50.6	0	0	0	0	109.7	R48	S46-R48 PolarHBondContact O-N 3.43Å
47	D	46.2	Very low	51	Low	149 Å²	149	129 Å²	129	80%	0.797	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	30.9	-148.8	-142.5	-1	0	0	0	115.7
48	R	51.6	Low	49.9	Very low	237 Å²	237	125 Å²	125	89%	0.894	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-8.1	-169.8	-67.2	-171	176.8	-172.5	-0.2	116.2	S46	S46-R48 PolarHBondContact O-N 3.43Å
49	Q	53	Low	49.3	Very low	147 Å²	147	123 Å²	123	69%	0.687	62%	0.624	S	S	*	*			trans	-124.2	8.1	-173	-69	-167.5	-9.5	0	0	116	W45 P51	W45-Q49 HydrophobicContact CE3-CB 3.94Å; W45-Q49 HydrophobicContact CZ3-CB 3.7Å; Q49-P51 VanDerWaalsContact O-CD 3.31Å; Q49-P51 WeakPolarHBondContact O-CD 3.12Å
50	R	41.2	Very low	48.5	Very low	181 Å²	181	122.3 Å²	122.3	68%	0.683	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-75.9	120.7	-180	-168.9	177.4	-167.6	150.2	7	111.6	K52	R50-K52 PolarHBondContact O-N 3.09Å
51	P	46	Very low	47	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-63	136.1	169.8	-19.5	33.2	0	0	0	110.3	Q49	Q49-P51 VanDerWaalsContact O-CD 3.31Å; Q49-P51 WeakPolarHBondContact O-CD 3.12Å
52	K	47.9	Very low	45.7	Very low	191 Å²	191	127.9 Å²	127.9	83%	0.83	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-66.5	142.1	171.2	-67.4	179.2	-179.8	176.8	0	109.2	R50 I54	R50-K52 PolarHBondContact O-N 3.09Å; K52-I54 PolarHBondContact O-N 3.02Å
53	P	37.5	Very low	44.5	Very low	103 Å²	103	129.3 Å²	129.3	67%	0.669	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.1	138	175.4	26.6	-33.9	0	0	0	110.3	V55	P53-V55 PolarHBondContact O-N 3.31Å
54	I	49.6	Very low	43.1	Very low	177 Å²	177	133 Å²	133	91%	0.908	69%	0.688	S	S	*	*	S	Bend	trans	-68.1	-19.7	-175.9	-68.3	171.4	0	0	0	112.4	K52	K52-I54 PolarHBondContact O-N 3.02Å
55	V	37.8	Very low	41.9	Very low	90 Å²	90	135.3 Å²	135.3	55%	0.545	70%	0.697	S	S	.	*	S	Bend	trans	-117.6	127	178.6	-176.9	0	0	0	0	109.1	P53 P57 I60	P53-V55 PolarHBondContact O-N 3.31Å; V55-P57 WeakPolarHBondContact O-CD 3.32Å; V55-I60 HydrophobicContact CG1-CD1 4.25Å
56	D	43.3	Very low	41.1	Very low	63 Å²	63	135.9 Å²	135.9	34%	0.337	71%	0.71	S	S	.	*			trans	-71.1	121	169.7	175.2	11.5	0	0	0	109.9	S58 C59 N241	D56-S58 VanDerWaalsContact CG-OG 3.3Å; D56-S58 PolarHBondContact O-N 2.68Å; D56-S58 VanDerWaalsContact O-N 3.13Å; D56-S58 PolarHBondContact OD1-N 2.72Å; D56-S58 PolarHBondContact OD1-OG 3.4Å; D56-S58 PolarHBondContact OD2-OG 3.42Å; D56-C59 PolarHBondContact O-N 2.84Å; D56-N241 PolarHBondContact OD1-ND2 3.08Å; D56-N241 PolarHBondContact OD2-ND2 3.06Å
57	P	37.6	Very low	40.5	Very low	90 Å²	90	138.5 Å²	138.5	58%	0.584	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-58.7	-22.4	176.6	-24.7	35.6	0	0	0	114.6	V55 C59 I60	V55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-C59 VanDerWaalsContact C-N 3.26Å; P57-C59 PolarHBondContact O-N 3.41Å; P57-I60 PolarHBondContact O-N 3.36Å
58	S	43.4	Very low	39.8	Very low	58 Å²	58	139.2 Å²	139.2	41%	0.406	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-67	-26.5	-179.4	86.6	0	0	0	0	113.5	D56 I60 N241	D56-S58 VanDerWaalsContact CG-OG 3.3Å; D56-S58 PolarHBondContact O-N 2.68Å; D56-S58 VanDerWaalsContact O-N 3.13Å; D56-S58 PolarHBondContact OD1-N 2.72Å; D56-S58 PolarHBondContact OD1-OG 3.4Å; D56-S58 PolarHBondContact OD2-OG 3.42Å; S58-I60 PolarHBondContact O-N 3.1Å; S58-I60 VanDerWaalsContact O-N 3.15Å; S58-N241 WeakPolarHBondContact CB-ND2 3.35Å; S58-N241 PolarHBondContact OG-ND2 3.37Å
59	C	48.9	Very low	38.6	Very low	102 Å²	102	136.7 Å²	136.7	69%	0.689	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-69.6	-8.7	-179.3	-56.2	0	0	0	0	114	D56 P57	D56-C59 PolarHBondContact O-N 2.84Å; P57-C59 VanDerWaalsContact C-N 3.26Å; P57-C59 PolarHBondContact O-N 3.41Å
60	I	46.9	Very low	37.4	Very low	123 Å²	123	136.1 Å²	136.1	63%	0.631	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-97.9	-16.1	-165.6	-59.8	177.1	0	0	0	112.8	V55 P57 S58	V55-I60 HydrophobicContact CG1-CD1 4.25Å; P57-I60 PolarHBondContact O-N 3.36Å; S58-I60 PolarHBondContact O-N 3.1Å; S58-I60 VanDerWaalsContact O-N 3.15Å
61	T	33.6	Very low	36.7	Very low	101 Å²	101	133.4 Å²	133.4	62%	0.62	72%	0.724	S	S	*	*			trans	-141.6	103.5	-178.6	52.2	0	0	0	0	114.3
62	Q	33.3	Very low	35.8	Very low	203 Å²	203	133.8 Å²	133.8	95%	0.949	73%	0.728	S	S	*	*			trans	-69.4	139.4	153	-69.6	-178.1	-12.7	0	0	109.4
63	T	29.5	Very low	34.9	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	73%	0.729	S	S	*	*			trans	-136.1	114.6	176.7	-57.3	0	0	0	0	109.5
64	E	32.6	Very low	34.7	Very low	167 Å²	167	130.5 Å²	130.5	78%	0.78	73%	0.732	S	S	*	*			trans	-67.7	142.7	170.6	-67.3	-175.7	120	0	0	111.1	L66	E64-L66 PolarHBondContact O-N 3.02Å
65	M	28.7	Very low	33.8	Very low	180 Å²	180	130.3 Å²	130.3	89%	0.887	73%	0.731	S	S	*	*			trans	-76	91.6	167.1	-67.4	-158.2	-48.9	0	0	110.2
66	L	29.9	Very low	33.4	Very low	151 Å²	151	134.3 Å²	134.3	79%	0.791	75%	0.746	S	S	*	*			trans	-74	144.7	161.6	-68	173.3	0	0	0	110.3	E64 L68	E64-L66 PolarHBondContact O-N 3.02Å; L66-L68 PolarHBondContact O-N 2.67Å
67	D	31.8	Very low	32.8	Very low	161 Å²	161	137.4 Å²	137.4	86%	0.861	77%	0.771	S	S	*	*			trans	-54.4	138.1	-178.5	-79	-53.8	0	0	0	113.1	K69	D67-K69 VanDerWaalsContact C-N 3.33Å; D67-K69 PolarHBondContact O-N 3.27Å
68	L	31.2	Very low	32.3	Very low	164 Å²	164	140.8 Å²	140.8	86%	0.859	78%	0.784	S	S	*	*			trans	-73.3	85.9	-174.4	-129.5	167.3	0	0	0	110.5	L66 V70	L66-L68 PolarHBondContact O-N 2.67Å; L68-V70 PolarHBondContact O-N 2.78Å
69	K	27.6	Very low	31.6	Very low	184 Å²	184	145.8 Å²	145.8	80%	0.8	81%	0.805	S	S	*	*			trans	-64.7	102.6	-177.9	-159.6	171.6	-166.5	170.9	0	110.4	D67 T71	D67-K69 VanDerWaalsContact C-N 3.33Å; D67-K69 PolarHBondContact O-N 3.27Å; K69-T71 PolarHBondContact O-N 2.79Å
70	V	28.1	Very low	30.3	Very low	136 Å²	136	152.7 Å²	152.7	82%	0.824	82%	0.817	S	S	*	*			trans	-63.2	97.2	-176.7	-177.8	0	0	0	0	110.8	L68 C72	L68-V70 PolarHBondContact O-N 2.78Å; V70-C72 PolarHBondContact O-N 2.88Å
71	T	26.1	Very low	29.4	Very low	124 Å²	124	154.6 Å²	154.6	76%	0.761	83%	0.826	S	S	*	*			trans	-84.4	95.8	171.9	50.5	0	0	0	0	109.8	K69 S73	K69-T71 PolarHBondContact O-N 2.79Å; T71-S73 PolarHBondContact O-N 3.3Å
72	C	26.2	Very low	28.9	Very low	118 Å²	118	154.9 Å²	154.9	80%	0.797	83%	0.832	S	S	*	*			trans	-67.6	116.8	167.5	-174.7	0	0	0	0	109.5	V70	V70-C72 PolarHBondContact O-N 2.88Å
73	S	29.8	Very low	28.6	Very low	121 Å²	121	152.8 Å²	152.8	85%	0.846	83%	0.827	S	S	*	*			trans	-107.1	72.7	177.3	60.8	0	0	0	0	110.9	T71	T71-S73 PolarHBondContact O-N 3.3Å
74	S	33	Very low	28.5	Very low	104 Å²	104	156.1 Å²	156.1	73%	0.727	83%	0.831	S	S	*	*			trans	-112	110.2	161.5	-171.5	0	0	0	0	108.9
75	L	31.8	Very low	28.1	Very low	172 Å²	172	157.1 Å²	157.1	90%	0.901	84%	0.835	S	S	*	*			trans	-96.3	99.2	171.3	-91.6	165	0	0	0	108.5
76	M	29.6	Very low	28.3	Very low	174 Å²	174	153.4 Å²	153.4	86%	0.857	83%	0.825	S	S	*	*				178.7	169.3	127	-100.6	-173.7	168.4	0	0	112.9
77	C	30.3	Very low	28.3	Very low	128 Å²	128	153.5 Å²	153.5	87%	0.865	83%	0.826	S	S	*	*			trans	70	109.2	175.2	-63.1	0	0	0	0	116.6
78	N	25.8	Very low	27.9	Very low	161 Å²	161	156.7 Å²	156.7	86%	0.861	83%	0.828	S	S	*	*			trans	-73.3	144.2	171.9	-55.3	-77.8	0	0	0	111.2
79	I	29.2	Very low	27.6	Very low	163 Å²	163	156 Å²	156	84%	0.836	82%	0.824	S	S	*	*			trans	-149.1	131.8	137.4	-99.3	144.5	0	0	0	107.8
80	R	22.4	Very low	27.3	Very low	248 Å²	248	152.8 Å²	152.8	94%	0.936	81%	0.814	S	S	*	*			trans	-96.9	119.7	169.9	-81.3	175.8	167.7	167.3	-5.6	108.7
81	I	27.3	Very low	27.1	Very low	162 Å²	162	149.9 Å²	149.9	83%	0.831	79%	0.79	S	S	*	*			trans	-133.8	135.8	140	-60.7	-174.8	0	0	0	106.7
82	S	22.8	Very low	27.2	Very low	107 Å²	107	148 Å²	148	75%	0.748	78%	0.776	S	S	*	*			trans	-116.8	138.4	174.7	102.9	0	0	0	0	108.5
83	L	26.9	Very low	27.2	Very low	160 Å²	160	148.7 Å²	148.7	84%	0.838	77%	0.765	S	S	*	*			trans	-155.1	145.2	148.4	-107.6	166.3	0	0	0	111.6
84	K	28.4	Very low	27.1	Very low	194 Å²	194	153 Å²	153	84%	0.843	77%	0.769	S	S	*	*			trans	-43.1	152.1	-169.6	-63.9	161.6	-179.3	179.6	0	118.6
85	Q	24	Very low	26.7	Very low	187 Å²	187	153.8 Å²	153.8	87%	0.874	77%	0.77	S	S	*	*			trans	-74.6	-178	165.6	-54.5	177.7	-54.8	0	0	111.8
86	P	32.6	Very low	26.4	Very low	102 Å²	102	154.5 Å²	154.5	66%	0.662	77%	0.769	S	S	*	*			cis	-131.3	175.2	-3.3	29.2	-6.3	0	0	0	115.6
87	D	28.9	Very low	26.2	Very low	154 Å²	154	155.5 Å²	155.5	82%	0.824	77%	0.768	S	S	*	*				172.3	175.9	119.8	-84.5	-15.5	0	0	0	112.6
88	Y	23.7	Very low	25.8	Very low	228 Å²	228	155.8 Å²	155.8	89%	0.894	76%	0.761	S	S	*	*			trans	-119.7	171.8	-160.4	-88.6	-103.5	0	0	0	114.9
89	I	24.3	Very low	25.8	Very low	150 Å²	150	157.1 Å²	157.1	77%	0.769	76%	0.759	S	S	*	*			trans	109.7	115.2	154	-56	178.1	0	0	0	118.3
90	L	22.3	Very low	25.6	Very low	115 Å²	115	154.7 Å²	154.7	60%	0.602	75%	0.747	S	S	*	*				24.3	154.1	128	-44.5	-170.2	0	0	0	122
91	K	23.8	Very low	25.7	Very low	75 Å²	75	151.5 Å²	151.5	33%	0.326	74%	0.742	S	S	.	*			cis	179.4	142.8	-9.2	-90.6	170.6	172.2	-160.9	0	108.3	C147 A148	K91-C147 CarbonylContact C-O 3.49Å; K91-C147 WeakPolarHBondContact CA-O 3.3Å; K91-C147 WeakPolarHBondContact CB-O 3.29Å; K91-C147 VanDerWaalsContact CG-C 3.49Å; K91-C147 HydrophobicContact CG-CB 4.36Å; K91-C147 WeakPolarHBondContact CG-O 3.22Å; K91-C147 VanDerWaalsContact CG-SG 3.55Å; K91-A148 HydrophobicContact CD-CB 3.86Å; K91-A148 HydrophobicContact CG-CB 4.31Å
92	N	28.2	Very low	25.6	Very low	84 Å²	84	154.3 Å²	154.3	45%	0.449	74%	0.744	S	S	.	*			cis	-163.6	-164.5	-15.4	-147.3	13.5	0	0	0	111.9	C147 A148	N92-C147 WeakPolarHBondContact CA-O 3.44Å; N92-C147 WeakPolarHBondContact CB-O 3.41Å; N92-C147 VanDerWaalsContact CG-N 3.25Å; N92-C147 PolarHBondContact ND2-N 2.79Å; N92-C147 PolarHBondContact OD1-N 3.44Å; N92-C147 VanDerWaalsContact OD1-N 3.12Å; N92-C147 PolarHBondContact OD1-O 3.48Å; N92-A148 VanDerWaalsContact CB-C 3.46Å; N92-A148 WeakPolarHBondContact CB-O 3.25Å; N92-A148 PolarHBondContact ND2-N 3.07Å
93	K	26.4	Very low	25.9	Very low	133 Å²	133	152 Å²	152	58%	0.578	74%	0.737	S	S	*	*			trans	58	96.7	143.8	-87.5	-171.9	-176.9	-177.5	0	115.9	N494	K93-N494 PolarHBondContact NZ-O 2.98Å
94	F	27.1	Very low	25.8	Very low	211 Å²	211	149.1 Å²	149.1	93%	0.925	74%	0.736	S	S	*	*				-153.6	164.7	113.7	-116.3	-77.9	0	0	0	110.9
95	T	25.8	Very low	25.8	Very low	122 Å²	122	148.8 Å²	148.8	75%	0.748	74%	0.738	S	S	*	*			trans	-85.7	122.5	-170.7	-47.2	0	0	0	0	112.8
96	Q	24.6	Very low	25.9	Very low	187 Å²	187	146.2 Å²	146.2	87%	0.874	74%	0.739	S	S	*	*			trans	-169.9	129	150.7	-108.6	160.5	35.1	0	0	110.7	L98	Q96-L98 PolarHBondContact O-N 2.91Å
97	F	25.6	Very low	25.5	Very low	194 Å²	194	147.6 Å²	147.6	85%	0.851	75%	0.746	S	S	*	*			trans	-86.2	93.8	171.7	-88	-79.5	0	0	0	110.2	F99	F97-F99 PolarHBondContact O-N 3.25Å
98	L	22.7	Very low	25.1	Very low	135 Å²	135	145.8 Å²	145.8	71%	0.707	75%	0.745	S	S	*	*			trans	-79.8	107.8	170	-177.7	66.9	0	0	0	109.9	Q96 I100	Q96-L98 PolarHBondContact O-N 2.91Å; L98-I100 HydrophobicContact CD2-CD1 3.92Å; L98-I100 HydrophobicContact CD2-CG1 3.85Å; L98-I100 HydrophobicContact CG-CD1 4.49Å; L98-I100 HydrophobicContact CG-CG1 3.88Å; L98-I100 PolarHBondContact O-N 2.88Å
99	F	24.4	Very low	25.2	Very low	188 Å²	188	142.1 Å²	142.1	83%	0.825	74%	0.739	S	S	*	*			trans	-77.6	96.3	170.1	-82.9	-92.6	0	0	0	110.3	F97 H101	F97-F99 PolarHBondContact O-N 3.25Å; F99-H101 PolarHBondContact O-N 2.97Å
100	I	24.5	Very low	25.1	Very low	113 Å²	113	140.6 Å²	140.6	58%	0.579	74%	0.737	S	S	*	*			trans	-85.6	106.6	167.6	-56.1	-177.5	0	0	0	108.6	L98 Y102	L98-I100 HydrophobicContact CD2-CD1 3.92Å; L98-I100 HydrophobicContact CD2-CG1 3.85Å; L98-I100 HydrophobicContact CG-CD1 4.49Å; L98-I100 HydrophobicContact CG-CG1 3.88Å; L98-I100 PolarHBondContact O-N 2.88Å; I100-Y102 HydrophobicContact CG2-CD2 4.34Å; I100-Y102 HydrophobicContact CG2-CE2 4.29Å
101	H	25.3	Very low	25.2	Very low	181 Å²	181	141.8 Å²	141.8	84%	0.838	75%	0.749	S	S	*	*			trans	-80.1	118.4	167.7	-132.6	-86.6	0	0	0	108.7	F99 G103	F99-H101 PolarHBondContact O-N 2.97Å; H101-G103 VanDerWaalsContact C-N 3.27Å; H101-G103 PolarHBondContact O-N 3.23Å
102	Y	25.9	Very low	25.1	Very low	221 Å²	221	144.4 Å²	144.4	87%	0.867	77%	0.771	S	S	*	*			trans	-75.5	82.1	172.1	-90	-92.1	0	0	0	110.1	I100	I100-Y102 HydrophobicContact CG2-CD2 4.34Å; I100-Y102 HydrophobicContact CG2-CE2 4.29Å
103	G	27.8	Very low	24.9	Very low	59 Å²	59	152 Å²	152	61%	0.608	79%	0.793	S	S	*	*			trans	-80.8	156	155.2	0	0	0	0	0	110.3	H101	H101-G103 VanDerWaalsContact C-N 3.27Å; H101-G103 PolarHBondContact O-N 3.23Å
104	A	26.7	Very low	24.8	Very low	98 Å²	98	149.1 Å²	149.1	81%	0.81	80%	0.801	S	S	*	*	S	Bend	trans	-79.8	134.4	167.6	0	0	0	0	0	109.5
105	E	26.8	Very low	24.7	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	80%	0.797	S	S	*	*	S	Bend	trans	66.3	179.2	173.5	-54.1	-179.1	-177.5	0	0	115.7
106	C	26.8	Very low	24.7	Very low	133 Å²	133	145.7 Å²	145.7	90%	0.899	80%	0.796	S	S	*	*			trans	68.6	108.3	-172.6	-75.5	0	0	0	0	118.2
107	T	23.2	Very low	25	Very low	131 Å²	131	148.3 Å²	148.3	80%	0.804	80%	0.8	S	S	*	*			trans	-69.6	157.4	172	46.6	0	0	0	0	114.6
108	S	22.3	Very low	25	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	80%	0.799	S	S	*	*			trans	79.6	135.2	169.5	80.4	0	0	0	0	117.4
109	I	24.5	Very low	25.2	Very low	150 Å²	150	147.6 Å²	147.6	77%	0.769	81%	0.805	S	S	*	*			trans	-140.4	127.9	171	-64	-179.6	0	0	0	107.3
110	T	22	Very low	25.8	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	80%	0.798	S	S	*	*			trans	-96.4	133.2	176.7	-58.5	0	0	0	0	110.1	V112	T110-V112 HydrophobicContact CG2-CG2 4.26Å
111	V	24.3	Very low	26.1	Very low	139 Å²	139	149.1 Å²	149.1	84%	0.842	81%	0.811	S	S	*	*			trans	-86.2	122.2	172.9	-179.3	0	0	0	0	109.4
112	V	22.7	Very low	26.3	Very low	130 Å²	130	147 Å²	147	79%	0.788	81%	0.806	S	S	*	*			trans	-117.7	137.4	173.1	-175.8	0	0	0	0	109.3	T110	T110-V112 HydrophobicContact CG2-CG2 4.26Å
113	R	23	Very low	26.6	Very low	243 Å²	243	147.7 Å²	147.7	92%	0.917	81%	0.809	S	S	*	*			trans	-128	127.8	179.3	-179.5	-174.4	-170.6	169.8	3.3	106.6
114	G	24.9	Very low	26.5	Very low	73 Å²	73	149.7 Å²	149.7	75%	0.753	81%	0.814	S	S	*	*			trans	-173.2	110.9	-177.9	0	0	0	0	0	113.9
115	D	24.8	Very low	26.6	Very low	158 Å²	158	156.3 Å²	156.3	85%	0.845	82%	0.819	S	S	*	*	S	Bend	trans	-69.8	139.9	146.1	-57.1	-70.3	0	0	0	108.3
116	S	25.9	Very low	26.6	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	81%	0.814	S	S	*	*			trans	56.7	120.5	171.5	67	0	0	0	0	118.8
117	Y	30.2	Very low	26.7	Very low	241 Å²	241	148.3 Å²	148.3	95%	0.945	81%	0.81	S	S	*	*			trans	-163.1	163.2	134.4	-98.5	-60.2	0	0	0	110.3
118	L	26.1	Very low	26.9	Very low	161 Å²	161	152.2 Å²	152.2	84%	0.843	82%	0.816	S	S	*	*			trans	-115.2	165.8	-163.4	-77.8	167.2	0	0	0	114.5
119	N	27.6	Very low	27.2	Very low	154 Å²	154	158.1 Å²	158.1	82%	0.824	82%	0.82	S	S	*	*			trans	81.1	155	158	-89.8	-8	0	0	0	119.8
120	P	36	Very low	27.5	Very low	105 Å²	105	159.8 Å²	159.8	68%	0.682	82%	0.824	S	S	*	*			trans	-132.9	175.5	-145.2	42.7	-26.6	0	0	0	115.2
121	R	31.6	Very low	28	Very low	227 Å²	227	157.7 Å²	157.7	86%	0.857	83%	0.826	S	S	*	*			trans	-172	141.9	135.1	-103.2	151.6	-174.1	-175	2	112.5
122	N	29.5	Very low	28.2	Very low	136 Å²	136	157.6 Å²	157.6	73%	0.727	82%	0.815	S	S	*	*			trans	32.4	115.5	148.3	-52.1	-3.5	0	0	0	119.1
123	Y	31.1	Very low	28.7	Very low	237 Å²	237	155.8 Å²	155.8	93%	0.929	80%	0.804	S	S	*	*				-156.6	157.6	97.8	-105.8	-73.1	0	0	0	110.7
124	S	26.3	Very low	29.1	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	78%	0.776	S	S	*	*			trans	-126.1	129.7	-168.5	46.4	0	0	0	0	112.7
125	Y	28.8	Very low	29.1	Very low	236 Å²	236	148.7 Å²	148.7	93%	0.925	78%	0.777	S	S	*	*				-169.6	148.4	127.8	-132.2	-104.4	0	0	0	114.1
126	G	27.2	Very low	29.3	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	75%	0.75	S	S	*	*			trans	35.7	117.1	154.5	0	0	0	0	0	122.5
127	G	29.4	Very low	29.5	Very low	80 Å²	80	140.2 Å²	140.2	83%	0.825	73%	0.731	S	S	*	*			trans	160.9	78.8	158.9	0	0	0	0	0	116.8	R129	G127-R129 PolarHBondContact O-N 2.75Å
128	K	27.5	Very low	29.4	Very low	212 Å²	212	135.1 Å²	135.1	92%	0.922	72%	0.724	S	S	*	*			trans	-76.5	110.3	172.2	-72.1	-176.6	179	-179.6	0	111.3
129	R	28.2	Very low	29.4	Very low	240 Å²	240	131.7 Å²	131.7	91%	0.906	72%	0.719	S	S	*	*			trans	171.2	98.3	148	-99.3	167.4	-177	-165.5	1.4	110.6	G127	G127-R129 PolarHBondContact O-N 2.75Å
130	H	31.1	Very low	29.4	Very low	185 Å²	185	128.1 Å²	128.1	86%	0.856	69%	0.694	S	S	*	*			trans	-136.8	112.4	167	-87.3	22.4	0	0	0	109.1
131	G	31.8	Very low	29	Very low	75 Å²	75	126.5 Å²	126.5	77%	0.773	69%	0.685	S	S	*	*			trans	-105.5	113.4	156.7	0	0	0	0	0	107.1
132	K	28.7	Very low	28.8	Very low	138 Å²	138	122.9 Å²	122.9	60%	0.6	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-73.5	135.1	177	-66	-173.9	-177.1	177.8	0	108.9	C572	K132-C572 PolarHBondContact NZ-O 2.93Å; K132-C572 PolarHBondContact NZ-OXT 3.33Å
133	V	33.1	Very low	28.6	Very low	92 Å²	92	120.2 Å²	120.2	56%	0.558	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-95.3	135	175.1	178.6	0	0	0	0	108.2
134	S	30.7	Very low	28.2	Very low	47 Å²	47	115.7 Å²	115.7	33%	0.329	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-61.4	134.2	180	-175.6	0	0	0	0	111.8	T136	S134-T136 PolarHBondContact O-N 3.32Å; S134-T136 PolarHBondContact OG-OG1 3.2Å
135	P	24.8	Very low	28.3	Very low	120 Å²	120	121.6 Å²	121.6	78%	0.779	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	20.6	-174.3	31.7	-36.1	0	0	0	115.7
136	T	29.7	Very low	28.3	Very low	44 Å²	44	115 Å²	115	27%	0.27	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.5	-20.2	176.2	-21.5	0	0	0	0	114	S134 V138 D382	S134-T136 PolarHBondContact O-N 3.32Å; S134-T136 PolarHBondContact OG-OG1 3.2Å; T136-V138 VanDerWaalsContact C-N 3.27Å; T136-V138 PolarHBondContact O-N 3.13Å; T136-V138 VanDerWaalsContact O-N 3.07Å; T136-D382 HydrophobicContact CG2-CB 4.4Å; T136-D382 WeakPolarHBondContact CG2-OD1 3.44Å
137	A	30	Very low	28.3	Very low	39 Å²	39	113.4 Å²	113.4	32%	0.322	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	19.9	-170.1	0	0	0	0	0	116.2
138	V	27.4	Very low	28.3	Very low	134 Å²	134	111.2 Å²	111.2	81%	0.812	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-8.9	-168	-175.8	0	0	0	0	114	T136	T136-V138 VanDerWaalsContact C-N 3.27Å; T136-V138 PolarHBondContact O-N 3.13Å; T136-V138 VanDerWaalsContact O-N 3.07Å
139	A	26.5	Very low	28.7	Very low	89 Å²	89	105.3 Å²	105.3	74%	0.736	58%	0.581	S	S	*	*	S	Bend	trans	-90.4	-22.4	179.9	0	0	0	0	0	115.1
140	R	28.7	Very low	28.8	Very low	79 Å²	79	101.2 Å²	101.2	30%	0.298	58%	0.576	S	S	.	*	S	Bend	trans	-110.2	52.5	-153.9	-51.9	-165.9	-164.8	125.5	10.3	116	T381 D382 D421	R140-T381 VanDerWaalsContact CZ-CB 3.48Å; R140-D382 IonicContact CZ-OD1 3.88Å; R140-D382 VanDerWaalsContact CZ-OD1 3.31Å; R140-D382 IonicContact NH1-OD1 3.87Å; R140-D382 PolarHBondContact NH1-OD1 3.27Å; R140-D382 IonicContact NH2-OD1 3.92Å; R140-D382 PolarHBondContact NH2-OD1 2.84Å; R140-D421 VanDerWaalsContact CD-CG 3.5Å; R140-D421 WeakPolarHBondContact CD-OD1 3.34Å; R140-D421 WeakPolarHBondContact CD-OD2 3.49Å; R140-D421 IonicContact CZ-OD1 2.75Å; R140-D421 VanDerWaalsContact CZ-OD1 3.29Å; R140-D421 IonicContact NE-OD1 2.92Å; R140-D421 PolarHBondContact NE-OD1 2.56Å; R140-D421 IonicContact NH1-OD1 3.98Å; R140-D421 PolarHBondContact NH1-OD1 3.17Å
141	S	26.6	Very low	28.8	Very low	71 Å²	71	98.3 Å²	98.3	50%	0.497	57%	0.573	S	S	.	*	S	Bend	trans	-171.8	81.6	152.9	-169	0	0	0	0	112.7
142	N	27.2	Very low	28.7	Very low	152 Å²	152	102.7 Å²	102.7	81%	0.813	58%	0.578	S	S	*	*			trans	-172.1	94.7	156.9	-104.7	-50.5	0	0	0	112.6	L144	N142-L144 PolarHBondContact O-N 2.86Å
143	S	24.9	Very low	28.8	Very low	79 Å²	79	107.7 Å²	107.7	55%	0.552	59%	0.593	S	S	*	*			trans	-77.2	58.3	174.6	-80.5	0	0	0	0	113.3
144	L	24.4	Very low	28.7	Very low	142 Å²	142	109.2 Å²	109.2	74%	0.743	61%	0.605	S	S	*	*			trans	-150.7	96.7	177.3	-83.8	-178.9	0	0	0	114.5	N142	N142-L144 PolarHBondContact O-N 2.86Å
145	R	28.1	Very low	28.6	Very low	226 Å²	226	116.9 Å²	116.9	85%	0.853	63%	0.628	S	S	*	*				174.5	141.4	124.1	-92.9	161.1	-160.1	-133.7	4.8	113.3
146	Y	27.4	Very low	28.9	Very low	98 Å²	98	116.9 Å²	116.9	38%	0.384	63%	0.631	S	S	.	*			trans	-70.9	172.6	169.8	-131.7	-110.1	0	0	0	109	A148 L496 E499	Y146-A148 HydrophobicContact CE1-CB 4.23Å; Y146-L496 HydrophobicContact CD2-CB 4.27Å; Y146-L496 HydrophobicContact CD2-CD1 3.55Å; Y146-L496 HydrophobicContact CD2-CD2 4.5Å; Y146-L496 HydrophobicContact CD2-CG 3.46Å; Y146-L496 VanDerWaalsContact CD2-CG 3.46Å; Y146-L496 HydrophobicContact CE2-CB 4.14Å; Y146-L496 HydrophobicContact CE2-CD1 4.26Å; Y146-L496 HydrophobicContact CE2-CG 3.77Å; Y146-L496 HydrophobicContact CG-CD1 4.46Å; Y146-L496 HydrophobicContact CG-CG 4.48Å; Y146-E499 WeakPolarHBondContact CE2-OE1 3.41Å; Y146-E499 WeakPolarHBondContact CE2-OE2 3.19Å; Y146-E499 PolarHBondContact OH-OE1 2.88Å; Y146-E499 PolarHBondContact OH-OE2 2.66Å; Y146-E499 VanDerWaalsContact OH-OE2 3.05Å
147	C	28.1	Very low	29.3	Very low	39 Å²	39	120.1 Å²	120.1	26%	0.264	65%	0.653	S	S	.	*				-169.6	84.6	50.3	-162.3	0	0	0	0	118.4	K91 N92	K91-C147 CarbonylContact C-O 3.49Å; K91-C147 WeakPolarHBondContact CA-O 3.3Å; K91-C147 WeakPolarHBondContact CB-O 3.29Å; K91-C147 VanDerWaalsContact CG-C 3.49Å; K91-C147 HydrophobicContact CG-CB 4.36Å; K91-C147 WeakPolarHBondContact CG-O 3.22Å; K91-C147 VanDerWaalsContact CG-SG 3.55Å; N92-C147 WeakPolarHBondContact CA-O 3.44Å; N92-C147 WeakPolarHBondContact CB-O 3.41Å; N92-C147 VanDerWaalsContact CG-N 3.25Å; N92-C147 PolarHBondContact ND2-N 2.79Å; N92-C147 PolarHBondContact OD1-N 3.44Å; N92-C147 VanDerWaalsContact OD1-N 3.12Å; N92-C147 PolarHBondContact OD1-O 3.48Å
148	A	29.9	Very low	29.5	Very low	35 Å²	35	124.4 Å²	124.4	29%	0.289	68%	0.68	S	S	.	*			trans	32.8	-121.1	168.1	0	0	0	0	0	131.6	K91 N92 Y146	K91-A148 HydrophobicContact CD-CB 3.86Å; K91-A148 HydrophobicContact CG-CB 4.31Å; N92-A148 VanDerWaalsContact CB-C 3.46Å; N92-A148 WeakPolarHBondContact CB-O 3.25Å; N92-A148 PolarHBondContact ND2-N 3.07Å; Y146-A148 HydrophobicContact CE1-CB 4.23Å
149	P	34.9	Very low	29.8	Very low	87 Å²	87	121.5 Å²	121.5	57%	0.565	68%	0.677	S	S	*	*			trans	-153.7	168.7	-174.7	43.1	-21.4	0	0	0	123.1
150	I	31	Very low	30.2	Very low	155 Å²	155	127.1 Å²	127.1	80%	0.795	69%	0.686	S	S	*	*			trans	-153.8	167.7	152.4	13.8	176.4	0	0	0	112.9
151	P	31.6	Very low	30.9	Very low	123 Å²	123	128.2 Å²	128.2	80%	0.799	70%	0.703	S	S	*	*				-128.3	176.2	-125	44.3	-28.2	0	0	0	119.9
152	L	28.8	Very low	31.3	Very low	168 Å²	168	132.4 Å²	132.4	88%	0.88	72%	0.719	S	S	*	*			trans	-79.1	155.1	178.6	-67.9	167.3	0	0	0	115.5
153	R	30.4	Very low	31.7	Very low	242 Å²	242	128.9 Å²	128.9	91%	0.913	71%	0.711	S	S	*	*			trans	-141.2	160.5	149.9	-91.9	-157	174.2	-156.2	-1.2	111
154	P	31.8	Very low	32.3	Very low	124 Å²	124	131.3 Å²	131.3	81%	0.805	72%	0.717	S	S	*	*			trans	-114.3	176.8	-139	40.2	-32.8	0	0	0	117.4
155	Y	28	Very low	32.9	Very low	208 Å²	208	131.8 Å²	131.8	82%	0.816	72%	0.716	S	S	*	*			trans	-43.6	153.5	174.3	-109.7	-104.3	0	0	0	117.4
156	S	32.2	Very low	33	Very low	121 Å²	121	125.6 Å²	125.6	85%	0.846	71%	0.707	S	S	*	*			trans	-159.3	134.4	137.6	-78.2	0	0	0	0	110.5
157	P	38.3	Very low	33.3	Very low	112 Å²	112	128.1 Å²	128.1	73%	0.727	73%	0.725	S	S	*	*			trans	-115.7	146.6	-174.9	39.1	-30.6	0	0	0	115.9
158	S	34	Very low	33.4	Very low	128 Å²	128	132.4 Å²	132.4	90%	0.895	75%	0.746	S	S	*	*			trans	-171.7	142	164.2	54.6	0	0	0	0	110
159	G	34.1	Very low	33.6	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	77%	0.77	S	S	*	*			cis	-171.3	175.9	-1.5	0	0	0	0	0	113.8
160	F	33.4	Very low	33.3	Very low	208 Å²	208	143.7 Å²	143.7	91%	0.912	78%	0.777	S	S	*	*			trans	-61.2	-179.7	178	-70.1	-98.3	0	0	0	115.3
161	P	43.1	Very low	33.2	Very low	101 Å²	101	143.6 Å²	143.6	66%	0.656	77%	0.773	S	S	*	*			cis	-140.8	-163.4	-49.4	40.9	-23.1	0	0	0	111.9
162	L	35.9	Very low	33.2	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	77%	0.772	S	S	*	*				168.9	140.8	120.3	-92.4	167.5	0	0	0	114.9
163	A	35.3	Very low	33.2	Very low	77 Å²	77	145.4 Å²	145.4	64%	0.636	77%	0.771	S	S	*	*			trans	60.9	147.7	138.2	0	0	0	0	0	121.4
164	N	36.9	Very low	33.2	Very low	130 Å²	130	136.9 Å²	136.9	70%	0.695	76%	0.758	S	S	*	*			cis	-161.1	161.6	-2.9	-123	7.6	0	0	0	113.6
165	H	37.7	Very low	33.2	Very low	153 Å²	153	139.7 Å²	139.7	71%	0.708	76%	0.761	S	S	*	*			trans	67.5	138	163.2	-62.3	-49.7	0	0	0	119
166	S	30.6	Very low	33.3	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	76%	0.757	S	S	*	*			cis	87.8	139.5	34	-57.1	0	0	0	0	113.2
167	I	33.4	Very low	33.2	Very low	150 Å²	150	134.1 Å²	134.1	77%	0.769	75%	0.747	S	S	*	*			cis	-153.5	-179.9	5.6	-123.4	162	0	0	0	111.8
168	D	30.5	Very low	32.9	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	75%	0.751	S	S	*	*			trans	-52.1	160.4	-177.8	-56	-104.5	0	0	0	119.5
169	E	32.9	Very low	32.7	Very low	171 Å²	171	137 Å²	137	80%	0.799	74%	0.743	S	S	*	*				164.3	159.3	117.3	-87.5	-159.9	117.1	0	0	110.6
170	R	29.1	Very low	32.4	Very low	187 Å²	187	138.6 Å²	138.6	71%	0.706	74%	0.742	S	S	*	*			cis	173	125.8	-34.1	-117.1	-172.9	176.1	-167.7	-1	106.7
171	Q	29.2	Very low	32.4	Very low	154 Å²	154	134.3 Å²	134.3	72%	0.72	73%	0.733	S	S	*	*			trans	60.5	171.6	158.1	-53.2	170.9	-111.3	0	0	115.7
172	E	31.8	Very low	31.6	Very low	165 Å²	165	138.5 Å²	138.5	77%	0.771	74%	0.741	S	S	*	*			cis	-126.5	151	-2	-77.3	-171.4	124.5	0	0	108.9
173	L	29	Very low	31.3	Very low	164 Å²	164	136.3 Å²	136.3	86%	0.859	74%	0.739	S	S	*	*				76.1	106	60.1	-139	176	0	0	0	114.4
174	G	30.4	Very low	31.2	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	75%	0.747	S	S	*	*			trans	169.9	107	171.1	0	0	0	0	0	118.2
175	Q	31.8	Very low	30.8	Very low	182 Å²	182	136.1 Å²	136.1	85%	0.85	75%	0.749	S	S	*	*				44.7	146	125	-60	-179.7	19.6	0	0	121.5
176	T	29.8	Very low	30.7	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	75%	0.753	S	S	*	*			cis	-162.3	160.8	-5.1	17.9	0	0	0	0	112.5
177	S	29.7	Very low	31.3	Very low	93 Å²	93	135 Å²	135	65%	0.65	75%	0.753	S	S	*	*			trans	-26.3	158.9	165	52.5	0	0	0	0	121.7
178	F	32.9	Very low	31.2	Very low	184 Å²	184	137.4 Å²	137.4	81%	0.807	76%	0.758	S	S	*	*				-170.9	131.1	109.6	-114.8	-117.3	0	0	0	114.3
179	T	30	Very low	31.3	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	76%	0.761	S	S	*	*			trans	12.7	159.4	142	61.1	0	0	0	0	123.4
180	S	28	Very low	31.2	Very low	106 Å²	106	133 Å²	133	74%	0.741	76%	0.761	S	S	*	*			cis	178.3	-171.5	-10.1	-179.6	0	0	0	0	110.5
181	V	31.7	Very low	31.5	Very low	119 Å²	119	128.8 Å²	128.8	72%	0.721	77%	0.767	S	S	*	*			trans	96.3	86.5	155.9	-163.1	0	0	0	0	121.3
182	K	28.1	Very low	31.6	Very low	188 Å²	188	128.6 Å²	128.6	82%	0.817	78%	0.776	S	S	*	*				47.9	148.8	120.9	-60.5	-179.4	178.5	-179.5	0	125
183	S	28.8	Very low	31.7	Very low	114 Å²	114	124 Å²	124	80%	0.797	77%	0.772	S	S	*	*			trans	79.6	150.6	148	72.6	0	0	0	0	118.6
184	S	32.1	Very low	32	Very low	116 Å²	116	121 Å²	121	81%	0.811	77%	0.772	S	S	*	*			cis	-163.3	166.7	-8.5	34.6	0	0	0	0	112.4
185	A	30.4	Very low	32.3	Very low	88 Å²	88	125.2 Å²	125.2	73%	0.727	78%	0.779	S	S	*	*			trans	-96.8	-165.3	166.6	0	0	0	0	0	110.2
186	P	35.3	Very low	32.5	Very low	122 Å²	122	123.1 Å²	123.1	79%	0.792	77%	0.772	S	S	*	*			cis	-131.4	-110	3.5	26.9	1.8	0	0	0	118.6
187	P	43.3	Very low	32.9	Very low	104 Å²	104	123.5 Å²	123.5	68%	0.675	77%	0.774	S	S	*	*				-136.4	-170.2	-115.1	44.3	-25.6	0	0	0	119.6
188	F	29.6	Very low	33.2	Very low	200 Å²	200	122.3 Å²	122.3	88%	0.877	78%	0.776	S	S	*	*			trans	105.2	142.3	142.4	-116.6	-98.4	0	0	0	122.9
189	A	33.3	Very low	33.4	Very low	92 Å²	92	119.4 Å²	119.4	76%	0.76	78%	0.779	S	S	*	*			trans	64.5	167.1	159.7	0	0	0	0	0	122.2
190	S	30.5	Very low	33.8	Very low	115 Å²	115	118.9 Å²	118.9	80%	0.804	78%	0.78	S	S	*	*			cis	173.5	133	-42.1	-176.1	0	0	0	0	111.5
191	A	35.9	Very low	34.2	Very low	99 Å²	99	117.8 Å²	117.8	82%	0.818	78%	0.778	S	S	*	*			trans	164.2	174.3	154.5	0	0	0	0	0	112.5
192	V	31.8	Very low	34.4	Very low	151 Å²	151	119.4 Å²	119.4	92%	0.915	78%	0.781	S	S	*	*				-167.5	146.6	-84.5	150.8	0	0	0	0	109.8
193	G	34.2	Very low	34.8	Very low	67 Å²	67	117 Å²	117	69%	0.691	78%	0.777	S	S	*	*			trans	137.7	115.9	171.1	0	0	0	0	0	112.5
194	A	34.2	Very low	35.1	Very low	103 Å²	103	116.1 Å²	116.1	85%	0.851	77%	0.767	S	S	*	*				78.9	128.3	56.4	0	0	0	0	0	112.9
195	D	36.3	Very low	35.1	Very low	151 Å²	151	118.2 Å²	118.2	81%	0.807	77%	0.769	S	S	*	*			cis	-151.1	-155	-2.1	-145.1	-9.9	0	0	0	109.2
196	I	37.7	Very low	35.3	Very low	137 Å²	137	117.7 Å²	117.7	70%	0.703	77%	0.772	S	S	*	*			cis	-159.3	165.3	13.7	-147.1	161.3	0	0	0	113
197	V	36.5	Very low	35.3	Very low	129 Å²	129	119.9 Å²	119.9	78%	0.782	78%	0.777	S	S	*	*			trans	3	142.9	157.7	175.8	0	0	0	0	121
198	G	36.7	Very low	35	Very low	67 Å²	67	120.2 Å²	120.2	69%	0.691	78%	0.779	S	S	*	*			cis	152.1	-167.8	-3	0	0	0	0	0	115.2
199	S	38	Very low	35.3	Very low	123 Å²	123	116.6 Å²	116.6	86%	0.86	78%	0.779	S	S	*	*			trans	73.7	142.2	173.7	-66.6	0	0	0	0	119.2
200	S	36.8	Very low	35.2	Very low	106 Å²	106	123 Å²	123	74%	0.741	78%	0.783	S	S	*	*			cis	-167.6	152.2	-14.8	-172.6	0	0	0	0	111.8
201	A	36.6	Very low	35.3	Very low	83 Å²	83	124.2 Å²	124.2	69%	0.686	78%	0.781	S	S	*	*			trans	60.7	151.5	156.8	0	0	0	0	0	119.8
202	L	36	Very low	34.9	Very low	153 Å²	153	127.8 Å²	127.8	80%	0.801	78%	0.78	S	S	*	*			cis	-165.7	176.1	-14.3	-100.8	174	0	0	0	105.9
203	L	37.5	Very low	34.9	Very low	138 Å²	138	126.6 Å²	126.6	72%	0.723	78%	0.779	S	S	*	*			cis	-150.9	-164.8	10.2	-129.4	-171	0	0	0	110.3
204	T	34.3	Very low	34.4	Very low	95 Å²	95	132.2 Å²	132.2	58%	0.583	79%	0.787	S	S	*	*			trans	-69.6	175.4	174.3	53.6	0	0	0	0	117.1
205	N	32.5	Very low	34.2	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	79%	0.791	S	S	*	*			cis	-172.3	161.1	-16.4	-95.6	-10.7	0	0	0	108.5
206	G	34.5	Very low	33.7	Very low	77 Å²	77	137 Å²	137	79%	0.794	79%	0.789	S	S	*	*			trans	162.4	130.4	162.1	0	0	0	0	0	114.4
207	N	34.8	Very low	33	Very low	168 Å²	168	140.7 Å²	140.7	90%	0.898	80%	0.795	S	S	*	*			trans	-111.1	160.6	-172.5	-123.1	3.4	0	0	0	113
208	P	38.5	Very low	32.3	Very low	110 Å²	110	139.1 Å²	139.1	71%	0.714	79%	0.79	S	S	*	*			trans	-97	171.6	-167.5	39	-37.5	0	0	0	114.8
209	S	34.5	Very low	31.9	Very low	125 Å²	125	143.1 Å²	143.1	87%	0.874	80%	0.796	S	S	*	*			trans	-159.8	166.6	159	-88.3	0	0	0	0	113.7
210	R	31.5	Very low	31.3	Very low	227 Å²	227	143.5 Å²	143.5	86%	0.857	79%	0.793	S	S	*	*			trans	-51.5	163.6	175.5	-68.8	175.3	175.8	156.2	-4.1	113.2
211	D	32.7	Very low	30.9	Very low	140 Å²	140	143.9 Å²	143.9	75%	0.749	80%	0.796	S	S	*	*			cis	-158.9	-176.3	44.6	-132.9	-41.3	0	0	0	116.8
212	Q	27.3	Very low	30.4	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	80%	0.804	S	S	*	*			trans	-83.6	145.7	-175	-52.4	175.1	14.8	0	0	114
213	S	31.1	Very low	30	Very low	126 Å²	126	145.6 Å²	145.6	88%	0.881	81%	0.808	S	S	*	*				177.8	167.7	126.4	43.5	0	0	0	0	113.2
214	Q	25.2	Very low	29.5	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	81%	0.807	S	S	*	*			trans	-77	146.6	-170.6	-53.1	166.8	9.9	0	0	113.2
215	L	29.5	Very low	29.1	Very low	179 Å²	179	144.7 Å²	144.7	94%	0.937	82%	0.82	S	S	*	*			trans	-160.5	168.9	144	-110.9	161.6	0	0	0	111.5
216	K	25	Very low	29	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.765	82%	0.817	S	S	*	*			trans	-114.3	156.6	-163.3	-67.5	177.1	174.9	174.5	0	114.2
217	Y	22.7	Very low	28.5	Very low	213 Å²	213	150.7 Å²	150.7	84%	0.835	82%	0.82	S	S	*	*			trans	75.2	147.4	154.8	-81.2	-67.3	0	0	0	121.3
218	S	23.5	Very low	28.1	Very low	96 Å²	96	152.3 Å²	152.3	67%	0.671	81%	0.814	S	S	*	*			trans	60.3	106	155.2	51.2	0	0	0	0	120.5
219	N	27.1	Very low	27.5	Very low	152 Å²	152	155.2 Å²	155.2	81%	0.813	82%	0.818	S	S	*	*			trans	-164.3	104	135.3	-90.2	-40.6	0	0	0	105.9
220	T	25.6	Very low	27.2	Very low	130 Å²	130	160.7 Å²	160.7	80%	0.798	82%	0.82	S	S	*	*				42.3	76	62.3	62	0	0	0	0	114.7
221	S	29	Very low	27	Very low	115 Å²	115	154.8 Å²	154.8	80%	0.804	80%	0.804	S	S	*	*			trans	-109.1	96.5	160.2	44	0	0	0	0	109.7	L223	S221-L223 PolarHBondContact O-N 2.7Å
222	A	26.2	Very low	26.7	Very low	103 Å²	103	152.7 Å²	152.7	85%	0.851	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.4	119.1	176.9	0	0	0	0	0	110.6
223	L	26.9	Very low	26.9	Very low	169 Å²	169	146.9 Å²	146.9	89%	0.885	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.7	138	166.5	-71.5	172.9	0	0	0	109.6	S221 A225	S221-L223 PolarHBondContact O-N 2.7Å; L223-A225 PolarHBondContact O-N 2.82Å
224	P	26.3	Very low	26.7	Very low	110 Å²	110	145.6 Å²	145.6	71%	0.714	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.4	130.4	-172.2	27.6	-34.5	0	0	0	111.8	K226	P224-K226 PolarHBondContact O-N 3.47Å; P224-K226 VanDerWaalsContact O-N 3.08Å
225	A	25.7	Very low	27	Very low	103 Å²	103	142.3 Å²	142.3	85%	0.851	76%	0.759	S	S	*	*			trans	-61.9	110.1	172.6	0	0	0	0	0	110.2	L223 H227	L223-A225 PolarHBondContact O-N 2.82Å; A225-H227 PolarHBondContact O-N 2.6Å
226	K	30.8	Very low	27.3	Very low	181 Å²	181	138 Å²	138	79%	0.787	74%	0.736	S	S	*	*			trans	-68.7	121.6	177.8	-68.6	-179.8	179.1	176	0	109.6	P224 Y228	P224-K226 PolarHBondContact O-N 3.47Å; P224-K226 VanDerWaalsContact O-N 3.08Å; K226-Y228 WeakPolarHBondContact O-CD1 3.49Å
227	H	25.3	Very low	27.7	Very low	183 Å²	183	137.9 Å²	137.9	85%	0.847	74%	0.735	S	S	*	*			trans	-62.3	131.7	168.4	-107.6	29.2	0	0	0	110.4	A225	A225-H227 PolarHBondContact O-N 2.6Å
228	Y	26.3	Very low	28.4	Very low	202 Å²	202	130.9 Å²	130.9	79%	0.792	71%	0.71	S	S	*	*			trans	-130	76.4	171.2	41.7	-96.9	0	0	0	111.3	K226	K226-Y228 WeakPolarHBondContact O-CD1 3.49Å
229	E	25.7	Very low	28.6	Very low	170 Å²	170	131 Å²	131	79%	0.794	71%	0.709	S	S	*	*			trans	-90.4	144.6	153.1	-69.2	-166.7	137.3	0	0	109.2
230	R	28.4	Very low	28.9	Very low	240 Å²	240	127.7 Å²	127.7	91%	0.906	69%	0.691	S	S	*	*	S	Bend	trans	70.6	122.8	-166.3	-43.2	163.6	-168.9	-171	1.6	111
231	I	27.7	Very low	29.1	Very low	104 Å²	104	124.6 Å²	124.6	53%	0.533	67%	0.669	S	S	.	*			cis	-112.5	126.4	10.1	-59.7	170.4	0	0	0	109.8	V233 M287	I231-V233 HydrophobicContact CG2-CG2 4Å; I231-V233 PolarHBondContact O-N 3.43Å; I231-M287 HydrophobicContact CG2-CE 4.23Å
232	A	25.5	Very low	29.3	Very low	96 Å²	96	122.5 Å²	122.5	79%	0.793	67%	0.666	S	S	*	*			trans	-77.4	69.6	172.4	0	0	0	0	0	111.3	P234	A232-P234 WeakPolarHBondContact O-CD 3.38Å
233	V	30.8	Very low	29.4	Very low	50 Å²	50	123.4 Å²	123.4	30%	0.303	67%	0.666	S	S	.	*			trans	-59.3	127.4	162.7	-178.7	0	0	0	0	106.9	I231 L235 I288 F341	I231-V233 HydrophobicContact CG2-CG2 4Å; I231-V233 PolarHBondContact O-N 3.43Å; V233-L235 VanDerWaalsContact C-N 3.25Å; V233-L235 PolarHBondContact O-N 2.83Å; V233-I288 HydrophobicContact CG2-CG2 4.21Å; V233-F341 HydrophobicContact CG1-CD1 4.14Å; V233-F341 HydrophobicContact CG1-CE1 3.82Å; V233-F341 HydrophobicContact CG1-CZ 4.09Å
234	P	27.2	Very low	29.6	Very low	99 Å²	99	119.9 Å²	119.9	64%	0.643	66%	0.661	S	S	*	*			trans	-69	80.9	-179.5	-23	35.8	0	0	0	112.3	A232 I236	A232-P234 WeakPolarHBondContact O-CD 3.38Å; P234-I236 WeakPolarHBondContact O-CG1 3.37Å; P234-I236 PolarHBondContact O-N 2.83Å
235	L	32.8	Very low	29.6	Very low	117 Å²	117	121 Å²	121	61%	0.613	67%	0.666	S	S	*	*			trans	-56.9	105.2	168	-132.4	166.7	0	0	0	106.8	V233 K237	V233-L235 VanDerWaalsContact C-N 3.25Å; V233-L235 PolarHBondContact O-N 2.83Å; L235-K237 PolarHBondContact O-N 3.38Å
236	I	34.1	Very low	29.9	Very low	90 Å²	90	124.2 Å²	124.2	46%	0.462	67%	0.668	S	S	.	*			trans	-63.7	108.3	-163	-59.9	177.4	0	0	0	109	P234 E238 E338	P234-I236 WeakPolarHBondContact O-CG1 3.37Å; P234-I236 PolarHBondContact O-N 2.83Å; I236-E238 PolarHBondContact O-N 3.02Å; I236-E338 HydrophobicContact CD1-CB 4.41Å
237	K	33.2	Very low	30	Very low	172 Å²	172	121 Å²	121	75%	0.748	67%	0.668	S	S	*	*			trans	-67.8	91.9	-179.4	-65.9	-172.2	177.8	-174.8	0	109.7	L235	L235-K237 PolarHBondContact O-N 3.38Å
238	E	38.3	Very low	30.1	Very low	66 Å²	66	117.5 Å²	117.5	31%	0.308	67%	0.671	S	S	.	*			trans	-61.6	139.9	167.6	-73.5	-178.6	-167	0	0	109.8	I236 R336	I236-E238 PolarHBondContact O-N 3.02Å; E238-R336 IonicContact OE1-CZ 3.86Å; E238-R336 IonicContact OE1-NH1 2.65Å; E238-R336 PolarHBondContact OE1-NH1 3.26Å; E238-R336 VanDerWaalsContact OE1-NH1 3.08Å; E238-R336 IonicContact OE1-NH2 2.94Å; E238-R336 PolarHBondContact OE1-NH2 3.37Å
239	P	27.9	Very low	30.4	Very low	98 Å²	98	111.6 Å²	111.6	64%	0.636	67%	0.671	S	S	*	*			trans	-67.7	133.1	-174.9	-22	34.1	0	0	0	114.7
240	L	32.8	Very low	30.8	Very low	83 Å²	83	110.8 Å²	110.8	44%	0.435	67%	0.672	S	S	.	*			trans	-104.8	104.9	173	-83	-176	0	0	0	112.5	L446 K450	L240-L446 HydrophobicContact CD1-CD1 3.54Å; L240-L446 HydrophobicContact CG-CD1 4.03Å; L240-K450 HydrophobicContact CD2-CD 3.96Å; L240-K450 HydrophobicContact CD2-CG 4.24Å
241	N	31.3	Very low	31.1	Very low	66 Å²	66	105.2 Å²	105.2	35%	0.353	67%	0.666	S	S	.	*			trans	-102	104	159.7	-84.5	85.6	0	0	0	111.5	D56 S58 K450	D56-N241 PolarHBondContact OD1-ND2 3.08Å; D56-N241 PolarHBondContact OD2-ND2 3.06Å; S58-N241 WeakPolarHBondContact CB-ND2 3.35Å; S58-N241 PolarHBondContact OG-ND2 3.37Å; N241-K450 PolarHBondContact O-NZ 3.35Å
242	G	31.3	Very low	31.6	Very low	70 Å²	70	105 Å²	105	72%	0.722	67%	0.673	S	S	*	*			trans	-66.2	147.8	173.3	0	0	0	0	0	111.6
243	S	28.9	Very low	32.1	Very low	123 Å²	123	109.5 Å²	109.5	86%	0.86	68%	0.678	S	S	*	*			trans	-92.7	142.3	166.8	-171	0	0	0	0	109
244	A	32.1	Very low	32.6	Very low	94 Å²	94	111.3 Å²	111.3	78%	0.777	70%	0.698	S	S	*	*			trans	-116.8	124.1	173.4	0	0	0	0	0	109.4
245	T	26.7	Very low	33	Very low	133 Å²	133	112.5 Å²	112.5	82%	0.816	71%	0.705	S	S	*	*			trans	-75.1	139.5	177.5	-44.2	0	0	0	0	110.4
246	L	31.1	Very low	33.2	Very low	172 Å²	172	115.7 Å²	115.7	90%	0.901	71%	0.714	S	S	*	*			trans	-129	124.9	162.1	-74.9	175.3	0	0	0	109.7
247	S	32.1	Very low	33.2	Very low	113 Å²	113	119.9 Å²	119.9	79%	0.79	73%	0.732	S	S	*	*			trans	-89.7	156.5	167.5	49.5	0	0	0	0	110.5
248	A	29.1	Very low	33.4	Very low	109 Å²	109	120 Å²	120	90%	0.901	74%	0.735	S	S	*	*			trans	-68.1	155.9	-177.7	0	0	0	0	0	113.9
249	G	32.4	Very low	33.3	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	76%	0.758	S	S	*	*			trans	-177.4	103.9	177.6	0	0	0	0	0	111.3
250	D	32.6	Very low	33.6	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	77%	0.767	S	S	*	*			trans	-65.3	169.3	-161.5	-103.6	-55.3	0	0	0	120.9
251	T	35.6	Very low	33.8	Very low	124 Å²	124	131.5 Å²	131.5	76%	0.761	79%	0.788	S	S	*	*			trans	83.3	142.5	147.7	45.8	0	0	0	0	125.2
252	S	37.9	Very low	33.8	Very low	98 Å²	98	133 Å²	133	69%	0.685	81%	0.81	S	S	*	*			trans	66	114	167.5	47.2	0	0	0	0	118.7
253	E	35.9	Very low	34.1	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	82%	0.819	S	S	*	*				70.5	138.1	85.3	-71.7	-173	125	0	0	115.2
254	A	42	Very low	34.3	Very low	88 Å²	88	141.5 Å²	141.5	73%	0.727	82%	0.817	S	S	*	*			cis	-161.2	161.3	-17.4	0	0	0	0	0	109.5
255	P	35.7	Very low	34.5	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	82%	0.821	S	S	*	*			trans	-113.7	166.2	-158.3	41.3	-35.1	0	0	0	118.2
256	K	37.2	Very low	34.8	Very low	185 Å²	185	147.8 Å²	147.8	80%	0.804	83%	0.825	S	S	*	*			trans	-146.2	122.7	158.4	-67.6	-166.7	177.6	-174.2	0	108.9
257	E	33.9	Very low	35.1	Very low	178 Å²	178	145.2 Å²	145.2	83%	0.832	82%	0.822	S	S	*	*				63.5	132.1	92.5	-62.8	-173.2	125.5	0	0	113.6
258	E	36.2	Very low	35.6	Very low	174 Å²	174	144 Å²	144	81%	0.813	82%	0.819	S	S	*	*			cis	-148.9	163.2	32.3	-64.5	-177.6	90.2	0	0	115.8
259	S	37.6	Very low	35.8	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	82%	0.815	S	S	*	*			trans	67.6	163.3	148.4	79.5	0	0	0	0	121
260	K	34.1	Very low	35.9	Very low	189 Å²	189	145.3 Å²	145.3	82%	0.822	81%	0.811	S	S	*	*				-167.4	164.9	-64.1	-110.9	171.4	-177.9	169.1	0	108.8
261	Q	35.4	Very low	36.1	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	81%	0.812	S	S	*	*			trans	67.1	112.1	172.9	-63.4	158.8	-10.7	0	0	115.3
262	A	31.8	Very low	36.3	Very low	98 Å²	98	149.8 Å²	149.8	81%	0.81	82%	0.819	S	S	*	*			cis	92.8	104.3	30.3	0	0	0	0	0	115.9
263	K	37.3	Very low	36.7	Very low	211 Å²	211	152.6 Å²	152.6	92%	0.917	82%	0.821	S	S	*	*			trans	-159.8	151.1	142.1	-115.8	169.4	-175.2	175.1	0	111.4
264	I	33.2	Very low	37.4	Very low	159 Å²	159	148.2 Å²	148.2	82%	0.815	82%	0.818	S	S	*	*			trans	-94	132.1	-177.8	-62.1	164.4	0	0	0	109
265	L	37.6	Very low	38.6	Very low	166 Å²	166	155.4 Å²	155.4	87%	0.869	83%	0.827	S	S	*	*			trans	-133	136.5	161.9	-114.1	88	0	0	0	108.9
266	E	32.7	Very low	40.5	Very low	193 Å²	193	152.9 Å²	152.9	90%	0.902	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.6	131.5	176.1	-64.9	174.4	111.7	0	0	110.6
267	S	37	Very low	43	Very low	119 Å²	119	147.2 Å²	147.2	83%	0.832	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83.5	120.2	179	43.7	0	0	0	0	111.7
268	A	41.6	Very low	45.6	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-65.5	151.7	176.4	0	0	0	0	0	112.2	A270	A268-A270 PolarHBondContact O-N 3.25Å
269	P	35.1	Very low	48.2	Very low	127 Å²	127	139.9 Å²	139.9	83%	0.825	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-63.8	134.9	-179.7	26.1	-34.8	0	0	0	112.1
270	A	33.7	Very low	50.7	Low	86 Å²	86	139.4 Å²	139.4	71%	0.711	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-64.1	151.8	-174.6	0	0	0	0	0	113.6	A268 R272	A268-A270 PolarHBondContact O-N 3.25Å; A270-R272 PolarHBondContact O-N 3.1Å
271	P	37.1	Very low	53.3	Low	129 Å²	129	130.6 Å²	130.6	84%	0.838	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-62.7	132.1	-179.4	-20.9	32.8	0	0	0	112.4	Q273	P271-Q273 PolarHBondContact O-N 3.43Å
272	R	39	Very low	56	Low	243 Å²	243	125 Å²	125	92%	0.917	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-67.9	126.3	169.2	-67.8	178.5	177.2	171.8	-0.7	109.2	A270 A274	A270-R272 PolarHBondContact O-N 3.1Å; R272-A274 PolarHBondContact O-N 3.21Å
273	Q	46.6	Very low	58.9	Low	156 Å²	156	123 Å²	123	73%	0.729	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.7	168.1	-71.8	179.3	-23.6	0	0	109.4	P271 R275	P271-Q273 PolarHBondContact O-N 3.43Å; Q273-R275 PolarHBondContact O-N 3.33Å
274	A	51.1	Low	61.4	Low	100 Å²	100	114.1 Å²	114.1	83%	0.826	62%	0.62	S	S	*	*			trans	-70.3	111.8	179.4	0	0	0	0	0	109.8	R272 L276	R272-A274 PolarHBondContact O-N 3.21Å; A274-L276 PolarHBondContact O-N 3Å
275	R	67.1	Low	64.1	Low	240 Å²	240	106.6 Å²	106.6	91%	0.906	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.7	132.2	165	-76.2	179.2	163.4	-173.5	-8.6	108.4	Q273	Q273-R275 PolarHBondContact O-N 3.33Å
276	L	76.2	Confident	66.7	Low	70 Å²	70	102.9 Å²	102.9	37%	0.366	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-49.7	144.6	172.6	-65.2	168.9	0	0	0	110.9	A274 Q280 R337	A274-L276 PolarHBondContact O-N 3Å; L276-Q280 HydrophobicContact CB-CB 4.34Å; L276-Q280 HydrophobicContact CD2-CB 4.32Å; L276-R337 PolarHBondContact O-NH2 3.45Å
277	T	88.4	Confident	69.5	Low	65 Å²	65	99.6 Å²	99.6	40%	0.399	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-65.9	168.5	170.7	73.2	0	0	0	0	110.8	E279 Q280 F281 R337	T277-E279 VanDerWaalsContact C-N 3.34Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.38Å; T277-Q280 VanDerWaalsContact OG1-CG 3.29Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.3Å; T277-Q280 PolarHBondContact OG1-N 3.03Å; T277-F281 WeakPolarHBondContact O-CB 3.22Å; T277-F281 PolarHBondContact O-N 2.97Å; T277-F281 VanDerWaalsContact O-N 3.12Å; T277-R337 PolarHBondContact O-NH2 3.26Å
278	H	88.8	Confident	72.1	Confident	46 Å²	46	94.9 Å²	94.9	21%	0.213	51%	0.511	C	S	.	.	H	α-helix	trans	-62.1	-43.8	172.8	-172.9	72.5	0	0	0	111.5	F281 R282 D366	H278-F281 PolarHBondContact O-N 3.37Å; H278-R282 VanDerWaalsContact O-CB 3.24Å; H278-R282 WeakPolarHBondContact O-CB 2.96Å; H278-R282 PolarHBondContact O-N 3.34Å; H278-D366 IonicContact CD2-OD1 2.8Å; H278-D366 IonicContact CD2-OD2 2.82Å; H278-D366 IonicContact CE1-OD1 3.18Å; H278-D366 IonicContact CE1-OD2 3.06Å; H278-D366 IonicContact NE2-OD1 2.75Å; H278-D366 PolarHBondContact NE2-OD1 3.39Å; H278-D366 IonicContact NE2-OD2 3.18Å; H278-D366 PolarHBondContact NE2-OD2 3.08Å
279	E	90.5	Very high	74.6	Confident	152 Å²	152	91.5 Å²	91.5	71%	0.71	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-43.8	178.2	-67.6	153.1	-170.6	0	0	112.6	T277 F281 R282 A283	T277-E279 VanDerWaalsContact C-N 3.34Å; E279-F281 PolarHBondContact O-N 3.44Å; E279-R282 PolarHBondContact O-N 3.06Å; E279-A283 VanDerWaalsContact O-CB 3.31Å; E279-A283 WeakPolarHBondContact O-CB 3.12Å; E279-A283 PolarHBondContact O-N 3.22Å
280	Q	90	Very high	77.4	Confident	104 Å²	104	89.1 Å²	89.1	49%	0.486	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-43.5	175.7	-75.5	170.8	-18.1	0	0	111.9	L276 T277 A284	L276-Q280 HydrophobicContact CB-CB 4.34Å; L276-Q280 HydrophobicContact CD2-CB 4.32Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.38Å; T277-Q280 VanDerWaalsContact OG1-CG 3.29Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.3Å; T277-Q280 PolarHBondContact OG1-N 3.03Å; Q280-A284 WeakPolarHBondContact O-CB 3.47Å; Q280-A284 PolarHBondContact O-N 3.45Å
281	F	89.6	Confident	80.2	Confident	3 Å²	3	88 Å²	88	1%	0.013	46%	0.459	C	S	.	.	H	α-helix	trans	-65.4	-44.3	176.3	172	-92.6	0	0	0	111.6	T277 H278 E279 A284 L285 L331 R337 L340 F341	T277-F281 WeakPolarHBondContact O-CB 3.22Å; T277-F281 PolarHBondContact O-N 2.97Å; T277-F281 VanDerWaalsContact O-N 3.12Å; H278-F281 PolarHBondContact O-N 3.37Å; E279-F281 PolarHBondContact O-N 3.44Å; F281-A284 PolarHBondContact O-N 3.5Å; F281-L285 HydrophobicContact CE1-CD2 4.35Å; F281-L285 HydrophobicContact CZ-CD2 4.47Å; F281-L285 PolarHBondContact O-N 3.35Å; F281-L331 HydrophobicContact CD1-CD2 4.16Å; F281-L331 HydrophobicContact CE1-CB 4.39Å; F281-L331 HydrophobicContact CE1-CD2 3.82Å; F281-L331 HydrophobicContact CE1-CG 3.9Å; F281-R337 HydrophobicContact CD1-CG 4.25Å; F281-R337 HydrophobicContact CD2-CG 3.99Å; F281-R337 HydrophobicContact CE1-CB 4.09Å; F281-R337 HydrophobicContact CE1-CG 4.01Å; F281-R337 HydrophobicContact CE2-CB 4.2Å; F281-R337 HydrophobicContact CE2-CG 3.73Å; F281-R337 WeakPolarHBondContact CE2-O 3.29Å; F281-R337 HydrophobicContact CG-CG 4.26Å; F281-R337 HydrophobicContact CZ-CB 3.79Å; F281-R337 HydrophobicContact CZ-CG 3.76Å; F281-R337 WeakPolarHBondContact CZ-O 3.49Å; F281-L340 HydrophobicContact CE1-CD1 4.44Å; F281-L340 HydrophobicContact CZ-CB 4.43Å; F281-L340 HydrophobicContact CZ-CD1 4.24Å; F281-F341 AromaticContact CD2-CE2 3.9Å; F281-F341 HydrophobicContact CD2-CE2 3.9Å; F281-F341 AromaticContact CE2-CD2 4Å; F281-F341 HydrophobicContact CE2-CD2 4Å; F281-F341 AromaticContact CE2-CE2 3.45Å; F281-F341 HydrophobicContact CE2-CE2 3.45Å; F281-F341 VanDerWaalsContact CE2-CE2 3.45Å; F281-F341 HydrophobicContact CE2-CZ 4.42Å; F281-F341 HydrophobicContact CZ-CE2 4.22Å
282	R	92.5	Very high	82.7	Confident	70 Å²	70	85.1 Å²	85.1	26%	0.264	45%	0.452	S	S	.	.	H	α-helix	trans	-58.6	-47.8	175.8	-174.3	-169.2	174.8	72.1	13.8	111.5	H278 E279 L285 Q286 L331 L363 G365 D366	H278-R282 VanDerWaalsContact O-CB 3.24Å; H278-R282 WeakPolarHBondContact O-CB 2.96Å; H278-R282 PolarHBondContact O-N 3.34Å; E279-R282 PolarHBondContact O-N 3.06Å; R282-L285 PolarHBondContact O-N 2.89Å; R282-Q286 WeakPolarHBondContact O-CB 3.4Å; R282-Q286 PolarHBondContact O-N 3.36Å; R282-L331 HydrophobicContact CG-CD2 4.46Å; R282-L363 HydrophobicContact CG-CD2 3.77Å; R282-G365 PolarHBondContact NH1-O 3Å; R282-G365 PolarHBondContact NH2-O 3.13Å; R282-D366 IonicContact CZ-OD1 2.76Å; R282-D366 IonicContact NH1-OD1 2.9Å; R282-D366 PolarHBondContact NH1-OD1 2.96Å
283	A	91.4	Very high	85.1	Confident	56 Å²	56	77.6 Å²	77.6	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-42.5	178.8	0	0	0	0	0	111.9	E279 L285 Q286 M287	E279-A283 VanDerWaalsContact O-CB 3.31Å; E279-A283 WeakPolarHBondContact O-CB 3.12Å; E279-A283 PolarHBondContact O-N 3.22Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.46Å; A283-Q286 WeakPolarHBondContact O-CB 3.33Å; A283-Q286 PolarHBondContact O-N 3.18Å; A283-M287 WeakPolarHBondContact O-CG 3.49Å; A283-M287 PolarHBondContact O-N 2.92Å
284	A	90.3	Very high	87.2	Confident	25 Å²	25	70.6 Å²	70.6	21%	0.207	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-35.9	175.6	0	0	0	0	0	112.7	Q280 F281 M287 F341	Q280-A284 WeakPolarHBondContact O-CB 3.47Å; Q280-A284 PolarHBondContact O-N 3.45Å; F281-A284 PolarHBondContact O-N 3.5Å; A284-M287 PolarHBondContact O-N 3.48Å; A284-F341 HydrophobicContact CB-CE1 4.49Å; A284-F341 HydrophobicContact CB-CZ 3.85Å
285	L	89.8	Confident	88.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-71.2	-38.6	174.5	-164.8	67.1	0	0	0	111.5	F281 R282 A283 M287 I288 V289 L331 F341 L363 L368	F281-L285 HydrophobicContact CE1-CD2 4.35Å; F281-L285 HydrophobicContact CZ-CD2 4.47Å; F281-L285 PolarHBondContact O-N 3.35Å; R282-L285 PolarHBondContact O-N 2.89Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.46Å; L285-M287 PolarHBondContact O-N 2.86Å; L285-M287 VanDerWaalsContact O-N 3.16Å; L285-I288 HydrophobicContact CD1-CD1 4.19Å; L285-I288 HydrophobicContact CD1-CG1 4.25Å; L285-I288 VanDerWaalsContact O-CG1 3.31Å; L285-I288 WeakPolarHBondContact O-CG1 3.46Å; L285-I288 PolarHBondContact O-N 3.28Å; L285-I288 VanDerWaalsContact O-N 3.08Å; L285-V289 PolarHBondContact O-N 3.28Å; L285-L331 HydrophobicContact CD2-CD1 4.28Å; L285-L331 HydrophobicContact CD2-CD2 4.05Å; L285-L331 HydrophobicContact CD2-CG 4.25Å; L285-F341 HydrophobicContact CB-CE1 4.32Å; L285-F341 HydrophobicContact CB-CZ 4.13Å; L285-F341 HydrophobicContact CD1-CD1 3.87Å; L285-F341 HydrophobicContact CD1-CD2 4.42Å; L285-F341 HydrophobicContact CD1-CE1 3.83Å; L285-F341 HydrophobicContact CD1-CE2 4.41Å; L285-F341 HydrophobicContact CD1-CG 4.15Å; L285-F341 HydrophobicContact CD1-CZ 4.11Å; L285-L363 HydrophobicContact CD2-CD1 4.28Å; L285-L368 HydrophobicContact CD2-CB 4.29Å; L285-L368 HydrophobicContact CD2-CD1 4.42Å; L285-L368 HydrophobicContact CD2-CD2 4.37Å
286	Q	92.6	Very high	90.1	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-24	175.6	-174.7	60.8	86.6	0	0	113.3	R282 A283 I288 L363	R282-Q286 WeakPolarHBondContact O-CB 3.4Å; R282-Q286 PolarHBondContact O-N 3.36Å; A283-Q286 WeakPolarHBondContact O-CB 3.33Å; A283-Q286 PolarHBondContact O-N 3.18Å; Q286-I288 VanDerWaalsContact C-N 3.35Å; Q286-L363 HydrophobicContact CB-CD2 4.01Å
287	M	90.9	Very high	90.9	Very high	124 Å²	124	60.3 Å²	60.3	61%	0.611	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.2	176.6	-69.3	176.4	67.1	0	0	114.8	I231 A283 A284 L285	I231-M287 HydrophobicContact CG2-CE 4.23Å; A283-M287 WeakPolarHBondContact O-CG 3.49Å; A283-M287 PolarHBondContact O-N 2.92Å; A284-M287 PolarHBondContact O-N 3.48Å; L285-M287 PolarHBondContact O-N 2.86Å; L285-M287 VanDerWaalsContact O-N 3.16Å
288	I	91.2	Very high	91.3	Very high	20 Å²	20	57.7 Å²	57.7	10%	0.103	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-8.6	-176	69.3	146.3	0	0	0	114.7	V233 L285 Q286 F341 V344 V345	V233-I288 HydrophobicContact CG2-CG2 4.21Å; L285-I288 HydrophobicContact CD1-CD1 4.19Å; L285-I288 HydrophobicContact CD1-CG1 4.25Å; L285-I288 VanDerWaalsContact O-CG1 3.31Å; L285-I288 WeakPolarHBondContact O-CG1 3.46Å; L285-I288 PolarHBondContact O-N 3.28Å; L285-I288 VanDerWaalsContact O-N 3.08Å; Q286-I288 VanDerWaalsContact C-N 3.35Å; I288-F341 HydrophobicContact CD1-CD1 3.58Å; I288-F341 HydrophobicContact CD1-CE1 4.15Å; I288-F341 HydrophobicContact CG1-CD1 4.15Å; I288-F341 HydrophobicContact CG1-CE1 4.21Å; I288-V344 HydrophobicContact CD1-CB 3.89Å; I288-V344 HydrophobicContact CD1-CG1 3.89Å; I288-V345 HydrophobicContact CD1-CG2 3.84Å
289	V	94.1	Very high	91.6	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	34%	0.335	C	S	.	.	S	Bend	trans	-96	161.6	176.3	-60.3	0	0	0	0	111	L285 V344 S361 L363 L368	L285-V289 PolarHBondContact O-N 3.28Å; V289-V344 HydrophobicContact CG1-CG2 4.33Å; V289-S361 WeakPolarHBondContact CA-OG 3.13Å; V289-S361 WeakPolarHBondContact CB-O 3.15Å; V289-L363 HydrophobicContact CG2-CB 4.18Å; V289-L368 HydrophobicContact CG1-CD1 3.73Å
290	D	95.3	Very high	91.8	Very high	77 Å²	77	54.5 Å²	54.5	41%	0.412	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-71	151.8	175.9	-53.3	-80.8	0	0	0	111.7	S360 S361	D290-S360 WeakPolarHBondContact OD2-CA 3.34Å; D290-S360 WeakPolarHBondContact OD2-CB 3.47Å; D290-S361 WeakPolarHBondContact CA-O 3.45Å; D290-S361 VanDerWaalsContact CB-O 3.25Å; D290-S361 WeakPolarHBondContact CB-O 3.4Å; D290-S361 PolarHBondContact N-O 2.93Å; D290-S361 PolarHBondContact OD2-N 2.86Å; D290-S361 PolarHBondContact OD2-OG 2.79Å
291	G	91.7	Very high	92	Very high	64 Å²	64	53 Å²	53	66%	0.66	32%	0.32	S	S	*	.	S	Bend	trans	-80.4	164.7	176.4	0	0	0	0	0	113.3
292	G	88.7	Confident	92.3	Very high	67 Å²	67	56.6 Å²	56.6	69%	0.691	34%	0.342	S	S	*	.	S	Bend	trans	83.6	166.1	179.7	0	0	0	0	0	114	H362	G292-H362 PolarHBondContact O-ND1 2.82Å
293	D	90.2	Very high	92.3	Very high	86 Å²	86	58 Å²	58	46%	0.46	35%	0.35	S	S	.	.			trans	-93	121.6	176.4	-165.4	-38.5	0	0	0	109.7	G295 D296	D293-G295 PolarHBondContact O-N 3.39Å; D293-G295 VanDerWaalsContact O-N 3.16Å; D293-G295 PolarHBondContact OD1-N 2.95Å; D293-D296 PolarHBondContact O-N 2.92Å
294	P	91.3	Very high	92.3	Very high	8 Å²	8	58.5 Å²	58.5	5%	0.052	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.4	177.1	29.1	-36.2	0	0	0	113.1	D296 D297 L298 H362 V364 W369	P294-D296 PolarHBondContact O-N 2.93Å; P294-D297 PolarHBondContact O-N 2.72Å; P294-L298 HydrophobicContact CB-CD1 4.08Å; P294-L298 HydrophobicContact CB-CG 4.47Å; P294-L298 VanDerWaalsContact O-CB 3.27Å; P294-L298 WeakPolarHBondContact O-CB 3.34Å; P294-L298 WeakPolarHBondContact O-CG 3.38Å; P294-L298 PolarHBondContact O-N 3.08Å; P294-H362 HydrophobicContact CG-CB 3.84Å; P294-V364 HydrophobicContact CG-CG2 3.62Å; P294-W369 HydrophobicContact CB-CE3 4.46Å; P294-W369 HydrophobicContact CG-CD2 4.42Å; P294-W369 HydrophobicContact CG-CE3 3.58Å; P294-W369 HydrophobicContact CG-CZ3 3.95Å
295	G	87.2	Confident	92	Very high	28 Å²	28	58.1 Å²	58.1	29%	0.289	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.7	172.5	0	0	0	0	0	114.4	D293	D293-G295 PolarHBondContact O-N 3.39Å; D293-G295 VanDerWaalsContact O-N 3.16Å; D293-G295 PolarHBondContact OD1-N 2.95Å
296	D	90.7	Very high	91.7	Very high	129 Å²	129	61.2 Å²	61.2	69%	0.69	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.4	174.2	-72	-30	0	0	0	111.7	D293 P294 R318	D293-D296 PolarHBondContact O-N 2.92Å; P294-D296 PolarHBondContact O-N 2.93Å; D296-R318 WeakPolarHBondContact O-CD 3.48Å; D296-R318 PolarHBondContact O-NE 3.39Å
297	D	93.4	Very high	90.8	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-10.9	-177.4	-165.7	27	0	0	0	113.9	P294 Q317 R318 R319	P294-D297 PolarHBondContact O-N 2.72Å; D297-Q317 CarbonylContact O-C 3.52Å; D297-Q317 WeakPolarHBondContact O-CA 3.27Å; D297-Q317 VanDerWaalsContact OD2-CG 3.26Å; D297-Q317 WeakPolarHBondContact OD2-CG 3.36Å; D297-Q317 PolarHBondContact OD2-NE2 2.86Å; D297-R318 WeakPolarHBondContact O-CG 3.39Å; D297-R318 PolarHBondContact O-N 3.05Å; D297-R319 VanDerWaalsContact OD1-CG 3.23Å; D297-R319 WeakPolarHBondContact OD1-CG 3.18Å; D297-R319 PolarHBondContact OD1-N 3.31Å
298	L	96.4	Very high	89.9	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.1	-177.9	-59.2	-174.4	0	0	0	113.7	P294 F301 A315 V316 Q317 V324 V326 V371	P294-L298 HydrophobicContact CB-CD1 4.08Å; P294-L298 HydrophobicContact CB-CG 4.47Å; P294-L298 VanDerWaalsContact O-CB 3.27Å; P294-L298 WeakPolarHBondContact O-CB 3.34Å; P294-L298 WeakPolarHBondContact O-CG 3.38Å; P294-L298 PolarHBondContact O-N 3.08Å; L298-F301 HydrophobicContact CB-CE2 4.05Å; L298-F301 HydrophobicContact CB-CZ 3.64Å; L298-F301 HydrophobicContact CD1-CZ 4.22Å; L298-A315 HydrophobicContact CB-CB 4.39Å; L298-V316 CarbonylContact C-O 3.59Å; L298-V316 WeakPolarHBondContact CA-O 3.07Å; L298-Q317 HydrophobicContact CD2-CB 4.12Å; L298-Q317 HydrophobicContact CD2-CG 4.39Å; L298-V324 HydrophobicContact CD1-CG2 4.38Å; L298-V324 HydrophobicContact CD2-CG2 3.81Å; L298-V326 HydrophobicContact CD1-CG2 3.78Å; L298-V371 HydrophobicContact CD1-CG1 4.29Å; L298-V371 HydrophobicContact CD1-CG2 4.02Å
299	T	96.1	Very high	89.2	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.153	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	176.2	176.2	58	0	0	0	0	112.8	F301 A315 V316 R318	T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 2.69Å; T299-A315 CarbonylContact O-C 3.57Å; T299-A315 WeakPolarHBondContact O-CA 3.36Å; T299-A315 WeakPolarHBondContact O-CB 3.26Å; T299-V316 PolarHBondContact N-O 3.15Å; T299-V316 PolarHBondContact O-N 3.14Å; T299-V316 PolarHBondContact OG1-O 2.85Å; T299-R318 HydrophobicContact CG2-CG 3.71Å; T299-R318 VanDerWaalsContact CG2-NH1 3.27Å
300	D	94.1	Very high	88.7	Confident	107 Å²	107	55.1 Å²	55.1	57%	0.572	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.4	38.8	162.6	-50.7	-57.3	0	0	0	114.7	V302 V316	D300-V302 PolarHBondContact O-N 3.14Å; D300-V316 HydrophobicContact CB-CG2 4.23Å
301	F	95.4	Very high	88.5	Confident	73 Å²	73	53.5 Å²	53.5	32%	0.32	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	102.1	178.3	-71.7	-85.6	0	0	0	112.4	L298 T299 C313 M314 A315 V326 K328 W369	L298-F301 HydrophobicContact CB-CE2 4.05Å; L298-F301 HydrophobicContact CB-CZ 3.64Å; L298-F301 HydrophobicContact CD1-CZ 4.22Å; T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 2.69Å; F301-C313 HydrophobicContact CD1-CB 4.19Å; F301-M314 CarbonylContact C-O 3.6Å; F301-M314 VanDerWaalsContact CA-O 3.31Å; F301-M314 WeakPolarHBondContact CA-O 3.45Å; F301-A315 HydrophobicContact CD1-CB 3.84Å; F301-A315 HydrophobicContact CE1-CB 3.83Å; F301-A315 HydrophobicContact CG-CB 4.33Å; F301-A315 HydrophobicContact CZ-CB 4.29Å; F301-V326 HydrophobicContact CE1-CB 4.34Å; F301-V326 HydrophobicContact CE1-CG1 4.36Å; F301-V326 HydrophobicContact CE1-CG2 4.07Å; F301-K328 VanDerWaalsContact CE1-NZ 3.33Å; F301-W369 HydrophobicContact CE1-CE3 4.48Å; F301-W369 AromaticContact CE1-CZ3 3.93Å; F301-W369 HydrophobicContact CE1-CZ3 3.93Å; F301-W369 HydrophobicContact CZ-CH2 4.3Å; F301-W369 AromaticContact CZ-CZ3 3.67Å; F301-W369 HydrophobicContact CZ-CZ3 3.67Å
302	V	94.6	Very high	88.7	Confident	77 Å²	77	51.7 Å²	51.7	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.2	171	178.3	0	0	0	0	108.8	D300 I304 C313 M314	D300-V302 PolarHBondContact O-N 3.14Å; V302-I304 PolarHBondContact O-N 2.88Å; V302-C313 CarbonylContact O-C 3.54Å; V302-C313 WeakPolarHBondContact O-CA 3.18Å; V302-C313 WeakPolarHBondContact O-CB 3.28Å; V302-M314 HydrophobicContact CB-CE 4.12Å; V302-M314 HydrophobicContact CG2-CE 4.05Å; V302-M314 PolarHBondContact N-O 3.47Å; V302-M314 PolarHBondContact O-N 2.99Å
303	K	93.6	Very high	88.9	Confident	100 Å²	100	49.1 Å²	49.1	44%	0.435	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.6	174.3	177	169.5	176.9	161.1	0	110.3	T311	K303-T311 HydrophobicContact CD-CG2 3.68Å; K303-T311 HydrophobicContact CG-CG2 3.83Å; K303-T311 PolarHBondContact NZ-OG1 3.07Å
304	I	89.6	Confident	89.2	Confident	67 Å²	67	46.5 Å²	46.5	34%	0.344	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-25.8	-179.6	60.1	175.7	0	0	0	113.2	V302 V312 M314 Y374	V302-I304 PolarHBondContact O-N 2.88Å; I304-V312 HydrophobicContact CD1-CG1 3.87Å; I304-V312 HydrophobicContact CG1-CB 4.12Å; I304-V312 HydrophobicContact CG1-CG1 3.96Å; I304-V312 WeakPolarHBondContact CG1-O 3.14Å; I304-V312 PolarHBondContact N-O 2.9Å; I304-M314 HydrophobicContact CD1-CB 4.42Å; I304-M314 HydrophobicContact CG2-CB 3.82Å; I304-Y374 HydrophobicContact CD1-CD2 4.14Å; I304-Y374 HydrophobicContact CD1-CE2 3.7Å
305	G	84.1	Confident	89.5	Confident	16 Å²	16	46.1 Å²	46.1	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	173.6	-177.1	0	0	0	0	0	115.2	V312	G305-V312 PolarHBondContact N-O 2.87Å; G305-V312 VanDerWaalsContact N-O 3.12Å; G305-V312 PolarHBondContact O-N 2.89Å
306	V	84.1	Confident	89.9	Confident	65 Å²	65	46.4 Å²	46.4	39%	0.394	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.1	170.5	-176.5	0	0	0	0	107.7
307	G	74.2	Confident	90.1	Very high	24 Å²	24	42.6 Å²	42.6	25%	0.247	25%	0.246	C	C	.	.			trans	-103.3	-173.3	174.1	0	0	0	0	0	112.2	T309 G310	G307-T309 VanDerWaalsContact C-N 3.29Å; G307-T309 PolarHBondContact O-N 2.91Å; G307-G310 PolarHBondContact N-O 3.21Å
308	S	71.2	Confident	90.2	Very high	61 Å²	61	48.1 Å²	48.1	43%	0.427	26%	0.264	S	S	.	.	S	Bend	trans	-64.5	-30.8	176.4	57.3	0	0	0	0	113.5
309	T	76.2	Confident	89.9	Confident	20 Å²	20	57.8 Å²	57.8	12%	0.123	30%	0.3	C	S	.	.	S	Bend	trans	-100.5	-17.1	-176.5	59.3	0	0	0	0	114.7	G307 K327 M329 Q334	G307-T309 VanDerWaalsContact C-N 3.29Å; G307-T309 PolarHBondContact O-N 2.91Å; T309-K327 WeakPolarHBondContact OG1-CE 3.45Å; T309-M329 PolarHBondContact OG1-SD 2.83Å; T309-Q334 PolarHBondContact O-NE2 3.22Å; T309-Q334 PolarHBondContact O-OE1 3.07Å
310	G	85	Confident	89.8	Confident	17 Å²	17	60.7 Å²	60.7	18%	0.175	32%	0.318	C	S	.	.			trans	178.3	-171.5	-169.1	0	0	0	0	0	116.3	G307 K328	G307-G310 PolarHBondContact N-O 3.21Å; G310-K328 CarbonylContact C-O 3.55Å; G310-K328 WeakPolarHBondContact CA-O 3.22Å
311	T	91.6	Very high	89.8	Confident	42 Å²	42	58 Å²	58	26%	0.258	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140	173	-73.2	0	0	0	0	109.7	K303 K328	K303-T311 HydrophobicContact CD-CG2 3.68Å; K303-T311 HydrophobicContact CG-CG2 3.83Å; K303-T311 PolarHBondContact NZ-OG1 3.07Å; T311-K328 PolarHBondContact N-O 3.44Å; T311-K328 PolarHBondContact O-N 2.73Å
312	V	93.9	Very high	89.8	Confident	27 Å²	27	60.6 Å²	60.6	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.4	172.7	-167.6	0	0	0	0	109.4	I304 G305 A325 V326 K327 M372	I304-V312 HydrophobicContact CD1-CG1 3.87Å; I304-V312 HydrophobicContact CG1-CB 4.12Å; I304-V312 HydrophobicContact CG1-CG1 3.96Å; I304-V312 WeakPolarHBondContact CG1-O 3.14Å; I304-V312 PolarHBondContact N-O 2.9Å; G305-V312 PolarHBondContact N-O 2.87Å; G305-V312 VanDerWaalsContact N-O 3.12Å; G305-V312 PolarHBondContact O-N 2.89Å; V312-A325 HydrophobicContact CG1-CB 4.26Å; V312-V326 WeakPolarHBondContact CA-O 3.46Å; V312-K327 HydrophobicContact CG2-CB 4.37Å; V312-K327 HydrophobicContact CG2-CG 4.24Å; V312-M372 HydrophobicContact CG1-CE 4.11Å
313	C	94.8	Very high	89.9	Confident	13 Å²	13	63 Å²	63	9%	0.088	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.4	172	-60.6	0	0	0	0	110.7	F301 V302 A325 V326	F301-C313 HydrophobicContact CD1-CB 4.19Å; V302-C313 CarbonylContact O-C 3.54Å; V302-C313 WeakPolarHBondContact O-CA 3.18Å; V302-C313 WeakPolarHBondContact O-CB 3.28Å; C313-A325 CarbonylContact O-C 3.42Å; C313-A325 WeakPolarHBondContact O-CA 3.44Å; C313-V326 PolarHBondContact N-O 2.86Å; C313-V326 PolarHBondContact O-N 3.43Å
314	M	95.6	Very high	90	Very high	30 Å²	30	58.3 Å²	58.3	15%	0.148	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.3	157.2	-173.3	-77.1	-53.2	0	0	108.2	F301 V302 I304 V316 R323 V324 Y374	F301-M314 CarbonylContact C-O 3.6Å; F301-M314 VanDerWaalsContact CA-O 3.31Å; F301-M314 WeakPolarHBondContact CA-O 3.45Å; V302-M314 HydrophobicContact CB-CE 4.12Å; V302-M314 HydrophobicContact CG2-CE 4.05Å; V302-M314 PolarHBondContact N-O 3.47Å; V302-M314 PolarHBondContact O-N 2.99Å; I304-M314 HydrophobicContact CD1-CB 4.42Å; I304-M314 HydrophobicContact CG2-CB 3.82Å; M314-V316 HydrophobicContact SD-CG2 4.34Å; M314-R323 HydrophobicContact SD-CB 4.24Å; M314-R323 HydrophobicContact SD-CG 4.05Å; M314-V324 CarbonylContact C-O 3.34Å; M314-V324 WeakPolarHBondContact CA-O 3.45Å; M314-Y374 HydrophobicContact CB-CD2 4.06Å; M314-Y374 HydrophobicContact CB-CE2 3.84Å; M314-Y374 HydrophobicContact CG-CD2 3.74Å; M314-Y374 HydrophobicContact CG-CE2 3.71Å; M314-Y374 HydrophobicContact CG-CG 4.18Å
315	A	96.9	Very high	90.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	164.3	172.5	0	0	0	0	0	110	L298 T299 F301 R323 V324 V326	L298-A315 HydrophobicContact CB-CB 4.39Å; T299-A315 CarbonylContact O-C 3.57Å; T299-A315 WeakPolarHBondContact O-CA 3.36Å; T299-A315 WeakPolarHBondContact O-CB 3.26Å; F301-A315 HydrophobicContact CD1-CB 3.84Å; F301-A315 HydrophobicContact CE1-CB 3.83Å; F301-A315 HydrophobicContact CG-CB 4.33Å; F301-A315 HydrophobicContact CZ-CB 4.29Å; A315-R323 CarbonylContact O-C 3.56Å; A315-R323 WeakPolarHBondContact O-CA 3.22Å; A315-V324 HydrophobicContact CB-CG2 4.06Å; A315-V324 PolarHBondContact N-O 2.98Å; A315-V324 PolarHBondContact O-N 3.34Å; A315-V326 HydrophobicContact CB-CG2 3.95Å
316	V	97.1	Very high	90.9	Very high	35 Å²	35	54.6 Å²	54.6	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.2	175.1	-179.8	0	0	0	0	109.6	L298 T299 D300 M314 R322	L298-V316 CarbonylContact C-O 3.59Å; L298-V316 WeakPolarHBondContact CA-O 3.07Å; T299-V316 PolarHBondContact N-O 3.15Å; T299-V316 PolarHBondContact O-N 3.14Å; T299-V316 PolarHBondContact OG1-O 2.85Å; D300-V316 HydrophobicContact CB-CG2 4.23Å; M314-V316 HydrophobicContact SD-CG2 4.34Å; V316-R322 WeakPolarHBondContact CA-O 3.48Å
317	Q	95.1	Very high	91.4	Very high	49 Å²	49	51.8 Å²	51.8	23%	0.229	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.8	173.4	-172.6	-177.8	33.7	0	0	110.5	D297 L298 R319 T320 G321 R322	D297-Q317 CarbonylContact O-C 3.52Å; D297-Q317 WeakPolarHBondContact O-CA 3.27Å; D297-Q317 VanDerWaalsContact OD2-CG 3.26Å; D297-Q317 WeakPolarHBondContact OD2-CG 3.36Å; D297-Q317 PolarHBondContact OD2-NE2 2.86Å; L298-Q317 HydrophobicContact CD2-CB 4.12Å; L298-Q317 HydrophobicContact CD2-CG 4.39Å; Q317-R319 VanDerWaalsContact C-N 3.29Å; Q317-R319 PolarHBondContact O-N 3.27Å; Q317-T320 PolarHBondContact O-N 3.43Å; Q317-T320 VanDerWaalsContact OE1-CG2 3.29Å; Q317-T320 PolarHBondContact OE1-OG1 3.16Å; Q317-G321 WeakPolarHBondContact O-CA 3.33Å; Q317-G321 PolarHBondContact O-N 2.83Å; Q317-R322 PolarHBondContact N-O 3.15Å
318	R	94.2	Very high	92.4	Very high	153 Å²	153	52 Å²	52	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-44.9	-177.5	-67.5	-174.4	-164.7	-89.7	2.7	112.6	D296 D297 T299 T320	D296-R318 WeakPolarHBondContact O-CD 3.48Å; D296-R318 PolarHBondContact O-NE 3.39Å; D297-R318 WeakPolarHBondContact O-CG 3.39Å; D297-R318 PolarHBondContact O-N 3.05Å; T299-R318 HydrophobicContact CG2-CG 3.71Å; T299-R318 VanDerWaalsContact CG2-NH1 3.27Å; R318-T320 VanDerWaalsContact C-N 3.29Å; R318-T320 PolarHBondContact O-N 2.95Å
319	R	90.8	Very high	93.5	Very high	213 Å²	213	49.1 Å²	49.1	80%	0.804	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.2	-173.9	-72.6	177.3	69.3	-176	2	115	D297 Q317	D297-R319 VanDerWaalsContact OD1-CG 3.23Å; D297-R319 WeakPolarHBondContact OD1-CG 3.18Å; D297-R319 PolarHBondContact OD1-N 3.31Å; Q317-R319 VanDerWaalsContact C-N 3.29Å; Q317-R319 PolarHBondContact O-N 3.27Å
320	T	94	Very high	94.3	Very high	85 Å²	85	50.2 Å²	50.2	52%	0.521	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-14.6	-171	65.4	0	0	0	0	114.3	Q317 R318 R322	Q317-T320 PolarHBondContact O-N 3.43Å; Q317-T320 VanDerWaalsContact OE1-CG2 3.29Å; Q317-T320 PolarHBondContact OE1-OG1 3.16Å; R318-T320 VanDerWaalsContact C-N 3.29Å; R318-T320 PolarHBondContact O-N 2.95Å; T320-R322 PolarHBondContact O-N 3.39Å; T320-R322 VanDerWaalsContact OG1-CB 3.22Å; T320-R322 WeakPolarHBondContact OG1-CB 3.38Å; T320-R322 PolarHBondContact OG1-N 3.06Å; T320-R322 VanDerWaalsContact OG1-N 3.15Å
321	G	94.4	Very high	94.6	Very high	52 Å²	52	49.5 Å²	49.5	54%	0.536	24%	0.235	S	C	.	.			trans	69	4	-168.8	0	0	0	0	0	114.2	Q317	Q317-G321 WeakPolarHBondContact O-CA 3.33Å; Q317-G321 PolarHBondContact O-N 2.83Å
322	R	94.8	Very high	94.5	Very high	127 Å²	127	55.9 Å²	55.9	48%	0.479	26%	0.255	S	S	.	.			trans	-68.4	133.9	-178.2	-177.5	179.5	-67.8	-160.8	2.7	110.6	V316 Q317 T320 V324 Y359	V316-R322 WeakPolarHBondContact CA-O 3.48Å; Q317-R322 PolarHBondContact N-O 3.15Å; T320-R322 PolarHBondContact O-N 3.39Å; T320-R322 VanDerWaalsContact OG1-CB 3.22Å; T320-R322 WeakPolarHBondContact OG1-CB 3.38Å; T320-R322 PolarHBondContact OG1-N 3.06Å; T320-R322 VanDerWaalsContact OG1-N 3.15Å; R322-V324 HydrophobicContact CG-CG1 4.26Å; R322-Y359 VanDerWaalsContact NH1-CZ 3.32Å; R322-Y359 PolarHBondContact NH1-OH 3.28Å
323	R	96.3	Very high	94.2	Very high	127 Å²	127	64 Å²	64	48%	0.479	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	164.8	-64.5	-170.1	-64.6	-141.8	-1.2	109.9	M314 A315 Y374 E376	M314-R323 HydrophobicContact SD-CB 4.24Å; M314-R323 HydrophobicContact SD-CG 4.05Å; A315-R323 CarbonylContact O-C 3.56Å; A315-R323 WeakPolarHBondContact O-CA 3.22Å; R323-Y374 HydrophobicContact CB-CD1 4.19Å; R323-Y374 HydrophobicContact CB-CG 4.33Å; R323-E376 IonicContact CZ-OE1 2.66Å; R323-E376 IonicContact NE-OE1 3.03Å; R323-E376 IonicContact NH2-OE1 2.65Å; R323-E376 PolarHBondContact NH2-OE1 3.27Å
324	V	97	Very high	93.6	Very high	2 Å²	2	65 Å²	65	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	177.9	-55.9	0	0	0	0	109.7	L298 M314 A315 R322 V326 Y359 V371 M372	L298-V324 HydrophobicContact CD1-CG2 4.38Å; L298-V324 HydrophobicContact CD2-CG2 3.81Å; M314-V324 CarbonylContact C-O 3.34Å; M314-V324 WeakPolarHBondContact CA-O 3.45Å; A315-V324 HydrophobicContact CB-CG2 4.06Å; A315-V324 PolarHBondContact N-O 2.98Å; A315-V324 PolarHBondContact O-N 3.34Å; R322-V324 HydrophobicContact CG-CG1 4.26Å; V324-V326 HydrophobicContact CG2-CG2 4.07Å; V324-Y359 HydrophobicContact CG1-CD2 3.97Å; V324-Y359 HydrophobicContact CG1-CE2 3.87Å; V324-V371 HydrophobicContact CB-CG1 4.07Å; V324-V371 HydrophobicContact CG1-CG1 4.49Å; V324-V371 HydrophobicContact CG2-CG1 3.93Å; V324-M372 WeakPolarHBondContact CA-O 3.26Å
325	A	96.6	Very high	92.9	Very high	5 Å²	5	72.5 Å²	72.5	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.1	166.3	0	0	0	0	0	109.5	V312 C313 V371 M372 E373 Y374	V312-A325 HydrophobicContact CG1-CB 4.26Å; C313-A325 CarbonylContact O-C 3.42Å; C313-A325 WeakPolarHBondContact O-CA 3.44Å; A325-V371 WeakPolarHBondContact O-CA 3.21Å; A325-M372 HydrophobicContact CB-CE 3.67Å; A325-M372 HydrophobicContact CB-CG 3.79Å; A325-M372 PolarHBondContact N-O 3.09Å; A325-M372 PolarHBondContact O-N 3Å; A325-E373 WeakPolarHBondContact CB-O 3.22Å; A325-Y374 HydrophobicContact CB-CD2 4.42Å
326	V	96.1	Very high	92.1	Very high	0 Å²	0	76 Å²	76	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106.9	179.7	-171.4	0	0	0	0	108.6	L298 F301 V312 C313 A315 V324 K328 W369 V370 V371	L298-V326 HydrophobicContact CD1-CG2 3.78Å; F301-V326 HydrophobicContact CE1-CB 4.34Å; F301-V326 HydrophobicContact CE1-CG1 4.36Å; F301-V326 HydrophobicContact CE1-CG2 4.07Å; V312-V326 WeakPolarHBondContact CA-O 3.46Å; C313-V326 PolarHBondContact N-O 2.86Å; C313-V326 PolarHBondContact O-N 3.43Å; A315-V326 HydrophobicContact CB-CG2 3.95Å; V324-V326 HydrophobicContact CG2-CG2 4.07Å; V326-K328 HydrophobicContact CG1-CG 4.03Å; V326-W369 HydrophobicContact CG1-CB 4.18Å; V326-W369 HydrophobicContact CG1-CD2 4.18Å; V326-W369 HydrophobicContact CG1-CE3 3.88Å; V326-W369 HydrophobicContact CG1-CG 4.31Å; V326-V370 CarbonylContact C-O 3.6Å; V326-V370 WeakPolarHBondContact CA-O 3.45Å; V326-V371 HydrophobicContact CG1-CG2 4.45Å; V326-V371 HydrophobicContact CG2-CG2 4.46Å
327	K	94.6	Very high	91.6	Very high	5 Å²	5	77 Å²	77	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.8	179.2	-177.5	168.4	170.9	-179.4	0	109.1	T309 V312 M329 E343 W369 V370 M372 D435	T309-K327 WeakPolarHBondContact OG1-CE 3.45Å; V312-K327 HydrophobicContact CG2-CB 4.37Å; V312-K327 HydrophobicContact CG2-CG 4.24Å; K327-M329 HydrophobicContact CD-SD 4.41Å; K327-M329 HydrophobicContact CG-CE 4.21Å; K327-M329 HydrophobicContact CG-CG 4.16Å; K327-M329 HydrophobicContact CG-SD 4.15Å; K327-E343 WeakPolarHBondContact CE-OE1 3.31Å; K327-E343 IonicContact NZ-OE1 2.78Å; K327-E343 PolarHBondContact NZ-OE1 3.26Å; K327-E343 IonicContact NZ-OE2 3.29Å; K327-E343 PolarHBondContact NZ-OE2 2.79Å; K327-W369 WeakPolarHBondContact O-CA 3.47Å; K327-V370 HydrophobicContact CB-CB 4.45Å; K327-V370 PolarHBondContact N-O 3.4Å; K327-V370 PolarHBondContact O-N 3.01Å; K327-M372 HydrophobicContact CB-CE 3.96Å; K327-M372 HydrophobicContact CD-CE 4.49Å; K327-D435 IonicContact NZ-OD1 2.74Å; K327-D435 PolarHBondContact NZ-OD1 3.47Å
328	K	94.9	Very high	91	Very high	29 Å²	29	77.7 Å²	77.7	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.9	-173.7	-54.8	-171.6	178.5	-162.4	0	110.2	F301 G310 T311 V326 W369	F301-K328 VanDerWaalsContact CE1-NZ 3.33Å; G310-K328 CarbonylContact C-O 3.55Å; G310-K328 WeakPolarHBondContact CA-O 3.22Å; T311-K328 PolarHBondContact N-O 3.44Å; T311-K328 PolarHBondContact O-N 2.73Å; V326-K328 HydrophobicContact CG1-CG 4.03Å; K328-W369 HydrophobicContact CD-CD2 3.96Å; K328-W369 HydrophobicContact CD-CG 4.39Å; K328-W369 HydrophobicContact CD-CZ2 3.84Å; K328-W369 HydrophobicContact CG-CD2 4.01Å; K328-W369 HydrophobicContact CG-CG 3.94Å; K328-W369 VanDerWaalsContact NZ-CZ3 3.35Å
329	M	93.8	Very high	90.6	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.6	-170.1	-62.2	173.9	-78.1	0	0	110.5	T309 K327 L331 L340 E343 E367 L368 V370	T309-M329 PolarHBondContact OG1-SD 2.83Å; K327-M329 HydrophobicContact CD-SD 4.41Å; K327-M329 HydrophobicContact CG-CE 4.21Å; K327-M329 HydrophobicContact CG-CG 4.16Å; K327-M329 HydrophobicContact CG-SD 4.15Å; M329-L331 PolarHBondContact O-N 3.19Å; M329-L340 HydrophobicContact CB-CD2 3.86Å; M329-L340 HydrophobicContact CE-CD2 4.41Å; M329-L340 HydrophobicContact CG-CD2 4.37Å; M329-L340 HydrophobicContact SD-CD2 3.72Å; M329-E343 HydrophobicContact CE-CB 4.41Å; M329-E343 HydrophobicContact CE-CG 4Å; M329-E367 WeakPolarHBondContact O-CA 3.47Å; M329-L368 HydrophobicContact CE-CB 4.44Å; M329-L368 HydrophobicContact CE-CD2 3.63Å; M329-L368 HydrophobicContact CE-CG 3.9Å; M329-L368 PolarHBondContact N-O 2.75Å; M329-L368 PolarHBondContact O-N 3.44Å; M329-V370 HydrophobicContact CE-CB 4.4Å; M329-V370 HydrophobicContact CE-CG2 3.72Å
330	D	92.9	Very high	90.5	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.23	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	120.3	175.7	174.7	-37.8	0	0	0	110.7	R332 R333 Q334	D330-R332 PolarHBondContact O-N 3.32Å; D330-R332 WeakPolarHBondContact OD1-CA 3.39Å; D330-R332 WeakPolarHBondContact OD1-CB 3.21Å; D330-R332 PolarHBondContact OD1-N 3.44Å; D330-R333 HydrophobicContact CB-CB 4.11Å; D330-R333 HydrophobicContact CB-CG 4.22Å; D330-R333 VanDerWaalsContact CG-CD 3.48Å; D330-R333 VanDerWaalsContact CG-CG 3.48Å; D330-R333 PolarHBondContact O-N 3.14Å; D330-R333 PolarHBondContact OD1-N 3.08Å; D330-R333 WeakPolarHBondContact OD2-CD 3.32Å; D330-R333 VanDerWaalsContact OD2-CG 3.29Å; D330-R333 WeakPolarHBondContact OD2-CG 3.46Å; D330-Q334 WeakPolarHBondContact O-CG 3.31Å; D330-Q334 PolarHBondContact O-NE2 3.34Å
331	L	92.2	Very high	90.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.2	-176.1	-86.9	66.8	0	0	0	113.7	F281 R282 L285 M329 L340 L363 D366 L368	F281-L331 HydrophobicContact CD1-CD2 4.16Å; F281-L331 HydrophobicContact CE1-CB 4.39Å; F281-L331 HydrophobicContact CE1-CD2 3.82Å; F281-L331 HydrophobicContact CE1-CG 3.9Å; R282-L331 HydrophobicContact CG-CD2 4.46Å; L285-L331 HydrophobicContact CD2-CD1 4.28Å; L285-L331 HydrophobicContact CD2-CD2 4.05Å; L285-L331 HydrophobicContact CD2-CG 4.25Å; M329-L331 PolarHBondContact O-N 3.19Å; L331-L340 HydrophobicContact CD1-CD1 4.18Å; L331-L340 HydrophobicContact CG-CD1 3.99Å; L331-L363 HydrophobicContact CD1-CD1 3.83Å; L331-L363 HydrophobicContact CD2-CD1 3.87Å; L331-D366 WeakPolarHBondContact CB-O 3.34Å; L331-D366 WeakPolarHBondContact CD1-O 3.4Å; L331-D366 PolarHBondContact N-O 3.45Å; L331-L368 HydrophobicContact CD1-CB 3.91Å
332	R	88.4	Confident	89.9	Confident	177 Å²	177	57.6 Å²	57.6	67%	0.668	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-27.5	-176.8	-56.6	-178	-178.2	-151.1	1.4	112.3	D330 D366	D330-R332 PolarHBondContact O-N 3.32Å; D330-R332 WeakPolarHBondContact OD1-CA 3.39Å; D330-R332 WeakPolarHBondContact OD1-CB 3.21Å; D330-R332 PolarHBondContact OD1-N 3.44Å; R332-D366 IonicContact CZ-OD2 3.37Å; R332-D366 IonicContact NE-OD2 2.61Å; R332-D366 PolarHBondContact NE-OD2 2.91Å; R332-D366 IonicContact NH2-OD2 2.68Å; R332-D366 PolarHBondContact NH2-OD2 3.4Å
333	R	87	Confident	89.6	Confident	196 Å²	196	51.6 Å²	51.6	74%	0.74	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.9	-175.2	-69.2	175.3	72.1	174.8	0.6	114.9	D330	D330-R333 HydrophobicContact CB-CB 4.11Å; D330-R333 HydrophobicContact CB-CG 4.22Å; D330-R333 VanDerWaalsContact CG-CD 3.48Å; D330-R333 VanDerWaalsContact CG-CG 3.48Å; D330-R333 PolarHBondContact O-N 3.14Å; D330-R333 PolarHBondContact OD1-N 3.08Å; D330-R333 WeakPolarHBondContact OD2-CD 3.32Å; D330-R333 VanDerWaalsContact OD2-CG 3.29Å; D330-R333 WeakPolarHBondContact OD2-CG 3.46Å
334	Q	83.8	Confident	89.3	Confident	34 Å²	34	45.6 Å²	45.6	16%	0.159	19%	0.194	C	C	.	.			trans	-68.7	132.9	177.6	-51.1	-52.3	-44.5	0	0	112	T309 D330 R336 R337 L340	T309-Q334 PolarHBondContact O-NE2 3.22Å; T309-Q334 PolarHBondContact O-OE1 3.07Å; D330-Q334 WeakPolarHBondContact O-CG 3.31Å; D330-Q334 PolarHBondContact O-NE2 3.34Å; Q334-R336 PolarHBondContact O-N 3.29Å; Q334-R337 HydrophobicContact CB-CB 3.82Å; Q334-R337 HydrophobicContact CG-CB 4.2Å; Q334-L340 HydrophobicContact CG-CD1 3.85Å; Q334-L340 HydrophobicContact CG-CD2 4.01Å; Q334-L340 HydrophobicContact CG-CG 3.98Å
335	Q	79.6	Confident	89	Confident	188 Å²	188	47.7 Å²	47.7	88%	0.879	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.4	171.3	-63.5	-61.9	-39.5	0	0	112.5
336	R	80.6	Confident	88.7	Confident	74 Å²	74	47.9 Å²	47.9	28%	0.279	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	71.7	-179.9	-68	-163	65.5	155.9	7.9	109.6	E238 Q334 E338 L339	E238-R336 IonicContact OE1-CZ 3.86Å; E238-R336 IonicContact OE1-NH1 2.65Å; E238-R336 PolarHBondContact OE1-NH1 3.26Å; E238-R336 VanDerWaalsContact OE1-NH1 3.08Å; E238-R336 IonicContact OE1-NH2 2.94Å; E238-R336 PolarHBondContact OE1-NH2 3.37Å; Q334-R336 PolarHBondContact O-N 3.29Å; R336-E338 VanDerWaalsContact CA-OE2 3.3Å; R336-E338 WeakPolarHBondContact CA-OE2 3.33Å; R336-E338 IonicContact CZ-OE1 2.71Å; R336-E338 IonicContact NE-OE1 2.75Å; R336-E338 PolarHBondContact NE-OE1 3.32Å; R336-E338 IonicContact NH2-OE1 3.15Å; R336-E338 PolarHBondContact NH2-OE1 3.23Å; R336-E338 PolarHBondContact O-N 2.99Å; R336-L339 HydrophobicContact CB-CD1 3.72Å; R336-L339 HydrophobicContact CB-CG 3.85Å; R336-L339 VanDerWaalsContact O-CB 3.25Å; R336-L339 WeakPolarHBondContact O-CB 3.24Å; R336-L339 WeakPolarHBondContact O-CG 3.37Å; R336-L339 PolarHBondContact O-N 2.88Å
337	R	86.8	Confident	88.3	Confident	56 Å²	56	48 Å²	48	21%	0.211	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.8	-23.5	-174.5	69.9	178.4	-168.7	-158	-5.6	113.9	L276 T277 F281 Q334 L339 L340	L276-R337 PolarHBondContact O-NH2 3.45Å; T277-R337 PolarHBondContact O-NH2 3.26Å; F281-R337 HydrophobicContact CD1-CG 4.25Å; F281-R337 HydrophobicContact CD2-CG 3.99Å; F281-R337 HydrophobicContact CE1-CB 4.09Å; F281-R337 HydrophobicContact CE1-CG 4.01Å; F281-R337 HydrophobicContact CE2-CB 4.2Å; F281-R337 HydrophobicContact CE2-CG 3.73Å; F281-R337 WeakPolarHBondContact CE2-O 3.29Å; F281-R337 HydrophobicContact CG-CG 4.26Å; F281-R337 HydrophobicContact CZ-CB 3.79Å; F281-R337 HydrophobicContact CZ-CG 3.76Å; F281-R337 WeakPolarHBondContact CZ-O 3.49Å; Q334-R337 HydrophobicContact CB-CB 3.82Å; Q334-R337 HydrophobicContact CG-CB 4.2Å; R337-L339 PolarHBondContact O-N 3.32Å; R337-L339 VanDerWaalsContact O-N 3.12Å; R337-L340 WeakPolarHBondContact O-CB 3.37Å; R337-L340 WeakPolarHBondContact O-CG 3.42Å; R337-L340 PolarHBondContact O-N 3.47Å
338	E	83	Confident	88.2	Confident	63 Å²	63	52.5 Å²	52.5	29%	0.294	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-58.6	-20.3	172.9	71.3	-80.7	-168.2	0	0	113.7	I236 R336 L340	I236-E338 HydrophobicContact CD1-CB 4.41Å; R336-E338 VanDerWaalsContact CA-OE2 3.3Å; R336-E338 WeakPolarHBondContact CA-OE2 3.33Å; R336-E338 IonicContact CZ-OE1 2.71Å; R336-E338 IonicContact NE-OE1 2.75Å; R336-E338 PolarHBondContact NE-OE1 3.32Å; R336-E338 IonicContact NH2-OE1 3.15Å; R336-E338 PolarHBondContact NH2-OE1 3.23Å; R336-E338 PolarHBondContact O-N 2.99Å; E338-L340 VanDerWaalsContact C-N 3.3Å; E338-L340 PolarHBondContact O-N 3.05Å
339	L	85.2	Confident	88.1	Confident	21 Å²	21	55 Å²	55	11%	0.11	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-72.9	-16.7	173.1	-63.3	-177.2	0	0	0	113.8	R336 R337 F341 N342 G437 F438	R336-L339 HydrophobicContact CB-CD1 3.72Å; R336-L339 HydrophobicContact CB-CG 3.85Å; R336-L339 VanDerWaalsContact O-CB 3.25Å; R336-L339 WeakPolarHBondContact O-CB 3.24Å; R336-L339 WeakPolarHBondContact O-CG 3.37Å; R336-L339 PolarHBondContact O-N 2.88Å; R337-L339 PolarHBondContact O-N 3.32Å; R337-L339 VanDerWaalsContact O-N 3.12Å; L339-F341 PolarHBondContact O-N 2.82Å; L339-N342 WeakPolarHBondContact CD2-ND2 3.33Å; L339-N342 VanDerWaalsContact O-CB 3.28Å; L339-N342 WeakPolarHBondContact O-CB 3.21Å; L339-N342 PolarHBondContact O-N 3.48Å; L339-G437 WeakPolarHBondContact CB-O 3.48Å; L339-F438 HydrophobicContact CD1-CD1 3.77Å; L339-F438 HydrophobicContact CD1-CE1 3.95Å
340	L	88.5	Confident	88	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-24.3	176.2	-65.8	-179.8	0	0	0	112.8	F281 M329 L331 Q334 R337 E338 N342 L368	F281-L340 HydrophobicContact CE1-CD1 4.44Å; F281-L340 HydrophobicContact CZ-CB 4.43Å; F281-L340 HydrophobicContact CZ-CD1 4.24Å; M329-L340 HydrophobicContact CB-CD2 3.86Å; M329-L340 HydrophobicContact CE-CD2 4.41Å; M329-L340 HydrophobicContact CG-CD2 4.37Å; M329-L340 HydrophobicContact SD-CD2 3.72Å; L331-L340 HydrophobicContact CD1-CD1 4.18Å; L331-L340 HydrophobicContact CG-CD1 3.99Å; Q334-L340 HydrophobicContact CG-CD1 3.85Å; Q334-L340 HydrophobicContact CG-CD2 4.01Å; Q334-L340 HydrophobicContact CG-CG 3.98Å; R337-L340 WeakPolarHBondContact O-CB 3.37Å; R337-L340 WeakPolarHBondContact O-CG 3.42Å; R337-L340 PolarHBondContact O-N 3.47Å; E338-L340 VanDerWaalsContact C-N 3.3Å; E338-L340 PolarHBondContact O-N 3.05Å; L340-N342 VanDerWaalsContact C-N 3.27Å; L340-N342 PolarHBondContact O-N 3.08Å; L340-L368 HydrophobicContact CB-CD2 3.97Å; L340-L368 HydrophobicContact CD2-CD2 4.36Å
341	F	89.6	Confident	88.1	Confident	29 Å²	29	61.2 Å²	61.2	13%	0.127	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-33	171.6	-75.8	-82.2	0	0	0	112.1	V233 F281 A284 L285 I288 L339 V345	V233-F341 HydrophobicContact CG1-CD1 4.14Å; V233-F341 HydrophobicContact CG1-CE1 3.82Å; V233-F341 HydrophobicContact CG1-CZ 4.09Å; F281-F341 AromaticContact CD2-CE2 3.9Å; F281-F341 HydrophobicContact CD2-CE2 3.9Å; F281-F341 AromaticContact CE2-CD2 4Å; F281-F341 HydrophobicContact CE2-CD2 4Å; F281-F341 AromaticContact CE2-CE2 3.45Å; F281-F341 HydrophobicContact CE2-CE2 3.45Å; F281-F341 VanDerWaalsContact CE2-CE2 3.45Å; F281-F341 HydrophobicContact CE2-CZ 4.42Å; F281-F341 HydrophobicContact CZ-CE2 4.22Å; A284-F341 HydrophobicContact CB-CE1 4.49Å; A284-F341 HydrophobicContact CB-CZ 3.85Å; L285-F341 HydrophobicContact CB-CE1 4.32Å; L285-F341 HydrophobicContact CB-CZ 4.13Å; L285-F341 HydrophobicContact CD1-CD1 3.87Å; L285-F341 HydrophobicContact CD1-CD2 4.42Å; L285-F341 HydrophobicContact CD1-CE1 3.83Å; L285-F341 HydrophobicContact CD1-CE2 4.41Å; L285-F341 HydrophobicContact CD1-CG 4.15Å; L285-F341 HydrophobicContact CD1-CZ 4.11Å; I288-F341 HydrophobicContact CD1-CD1 3.58Å; I288-F341 HydrophobicContact CD1-CE1 4.15Å; I288-F341 HydrophobicContact CG1-CD1 4.15Å; I288-F341 HydrophobicContact CG1-CE1 4.21Å; L339-F341 PolarHBondContact O-N 2.82Å; F341-V345 WeakPolarHBondContact O-CB 3.3Å; F341-V345 VanDerWaalsContact O-CG2 3.27Å; F341-V345 WeakPolarHBondContact O-CG2 3.44Å; F341-V345 PolarHBondContact O-N 3.26Å
342	N	87.2	Confident	88.4	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-45.8	-178.5	-64.5	-26.8	0	0	0	111.6	L339 L340 V344 V345 I346 F436 G437 C439	L339-N342 WeakPolarHBondContact CD2-ND2 3.33Å; L339-N342 VanDerWaalsContact O-CB 3.28Å; L339-N342 WeakPolarHBondContact O-CB 3.21Å; L339-N342 PolarHBondContact O-N 3.48Å; L340-N342 VanDerWaalsContact C-N 3.27Å; L340-N342 PolarHBondContact O-N 3.08Å; N342-V344 VanDerWaalsContact C-N 3.29Å; N342-V344 PolarHBondContact O-N 2.89Å; N342-V345 PolarHBondContact O-N 3.05Å; N342-I346 HydrophobicContact CB-CG1 4.38Å; N342-I346 WeakPolarHBondContact O-CB 3.3Å; N342-I346 WeakPolarHBondContact O-CG1 3.48Å; N342-I346 PolarHBondContact O-N 3.17Å; N342-F436 WeakPolarHBondContact CB-O 3.45Å; N342-G437 PolarHBondContact ND2-O 3.49Å; N342-C439 HydrophobicContact CB-CB 4.38Å; N342-C439 PolarHBondContact ND2-O 2.81Å
343	E	86.9	Confident	88.8	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-45.1	-176.8	-163.3	88	-160.8	0	0	111.1	K327 M329 M347 V370 G437	K327-E343 WeakPolarHBondContact CE-OE1 3.31Å; K327-E343 IonicContact NZ-OE1 2.78Å; K327-E343 PolarHBondContact NZ-OE1 3.26Å; K327-E343 IonicContact NZ-OE2 3.29Å; K327-E343 PolarHBondContact NZ-OE2 2.79Å; M329-E343 HydrophobicContact CE-CB 4.41Å; M329-E343 HydrophobicContact CE-CG 4Å; E343-M347 HydrophobicContact CG-SD 4.2Å; E343-M347 WeakPolarHBondContact O-CB 3.49Å; E343-M347 VanDerWaalsContact O-CG 3.24Å; E343-M347 WeakPolarHBondContact O-CG 3.45Å; E343-M347 PolarHBondContact O-N 2.9Å; E343-V370 HydrophobicContact CG-CG2 4.07Å; E343-G437 WeakPolarHBondContact OE2-CA 3.2Å; E343-G437 PolarHBondContact OE2-N 3.28Å
344	V	90.9	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-72.8	-50.6	178.5	-177.6	0	0	0	0	112	I288 V289 N342 R348 M358 S361 L368 V370	I288-V344 HydrophobicContact CD1-CB 3.89Å; I288-V344 HydrophobicContact CD1-CG1 3.89Å; V289-V344 HydrophobicContact CG1-CG2 4.33Å; N342-V344 VanDerWaalsContact C-N 3.29Å; N342-V344 PolarHBondContact O-N 2.89Å; V344-R348 WeakPolarHBondContact O-CB 3.34Å; V344-R348 PolarHBondContact O-N 3.35Å; V344-R348 VanDerWaalsContact O-N 3.13Å; V344-M358 HydrophobicContact CG1-CE 4.27Å; V344-S361 WeakPolarHBondContact CG1-OG 3.32Å; V344-L368 HydrophobicContact CG2-CD1 3.99Å; V344-L368 HydrophobicContact CG2-CD2 3.91Å; V344-V370 HydrophobicContact CG2-CG2 4.24Å
345	V	91.2	Very high	90	Very high	47 Å²	47	49.7 Å²	49.7	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-67.9	-46	-173.7	173	0	0	0	0	111.2	I288 F341 N342 R348 D349	I288-V345 HydrophobicContact CD1-CG2 3.84Å; F341-V345 WeakPolarHBondContact O-CB 3.3Å; F341-V345 VanDerWaalsContact O-CG2 3.27Å; F341-V345 WeakPolarHBondContact O-CG2 3.44Å; F341-V345 PolarHBondContact O-N 3.26Å; N342-V345 PolarHBondContact O-N 3.05Å; V345-R348 PolarHBondContact O-N 3.5Å; V345-D349 WeakPolarHBondContact O-CB 3.03Å; V345-D349 PolarHBondContact O-N 2.83Å
346	I	88.9	Confident	90.8	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.046	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-48.6	-176.7	-60.1	-60.2	0	0	0	110.7	N342 R348 D349 Y350 V413 F436 C439	N342-I346 HydrophobicContact CB-CG1 4.38Å; N342-I346 WeakPolarHBondContact O-CB 3.3Å; N342-I346 WeakPolarHBondContact O-CG1 3.48Å; N342-I346 PolarHBondContact O-N 3.17Å; I346-R348 VanDerWaalsContact C-N 3.3Å; I346-R348 PolarHBondContact O-N 3.07Å; I346-D349 PolarHBondContact O-N 3.45Å; I346-Y350 HydrophobicContact CB-CD2 4.43Å; I346-Y350 HydrophobicContact CD1-CD2 3.97Å; I346-Y350 HydrophobicContact CD1-CE2 3.8Å; I346-Y350 HydrophobicContact CG2-CD2 4.05Å; I346-Y350 WeakPolarHBondContact O-CB 3.07Å; I346-Y350 PolarHBondContact O-N 3.17Å; I346-V413 HydrophobicContact CD1-CG1 3.99Å; I346-V413 HydrophobicContact CD1-CG2 4.15Å; I346-V413 HydrophobicContact CG2-CG1 4.45Å; I346-F436 HydrophobicContact CB-CB 4.15Å; I346-F436 HydrophobicContact CG2-CB 4Å; I346-F436 HydrophobicContact CG2-CD1 3.62Å; I346-F436 HydrophobicContact CG2-CE1 4.39Å; I346-F436 HydrophobicContact CG2-CG 3.9Å; I346-C439 HydrophobicContact CG1-CB 4.01Å
347	M	89.2	Confident	91.6	Very high	3 Å²	3	41 Å²	41	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-71.5	-22.5	-178.3	-60.5	178.4	76.4	0	0	113.7	E343 V356 M358 V370 M372 F436	E343-M347 HydrophobicContact CG-SD 4.2Å; E343-M347 WeakPolarHBondContact O-CB 3.49Å; E343-M347 VanDerWaalsContact O-CG 3.24Å; E343-M347 WeakPolarHBondContact O-CG 3.45Å; E343-M347 PolarHBondContact O-N 2.9Å; M347-V356 HydrophobicContact CE-CB 3.89Å; M347-V356 HydrophobicContact CE-CG1 3.61Å; M347-V356 VanDerWaalsContact CE-O 3.23Å; M347-V356 WeakPolarHBondContact CE-O 3.27Å; M347-M358 HydrophobicContact CB-CB 3.68Å; M347-M358 HydrophobicContact CB-SD 4.37Å; M347-M358 HydrophobicContact CE-CB 4.18Å; M347-V370 HydrophobicContact SD-CG1 4.35Å; M347-M372 HydrophobicContact CE-CB 4.3Å; M347-M372 HydrophobicContact CE-SD 4.16Å; M347-F436 HydrophobicContact CE-CD2 4.45Å; M347-F436 HydrophobicContact CG-CB 4.39Å; M347-F436 HydrophobicContact CG-CD2 3.43Å; M347-F436 VanDerWaalsContact CG-CD2 3.43Å; M347-F436 HydrophobicContact CG-CE2 4.06Å; M347-F436 HydrophobicContact CG-CG 4.12Å; M347-F436 HydrophobicContact SD-CD2 3.91Å
348	R	91.7	Very high	92	Very high	99 Å²	99	38.6 Å²	38.6	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-76.7	-47.9	174.3	-168.6	-172.4	67.5	-155.4	-8.3	111.8	V344 V345 I346 M358	V344-R348 WeakPolarHBondContact O-CB 3.34Å; V344-R348 PolarHBondContact O-N 3.35Å; V344-R348 VanDerWaalsContact O-N 3.13Å; V345-R348 PolarHBondContact O-N 3.5Å; I346-R348 VanDerWaalsContact C-N 3.3Å; I346-R348 PolarHBondContact O-N 3.07Å; R348-M358 HydrophobicContact CB-CE 3.67Å; R348-M358 HydrophobicContact CG-CE 4.2Å
349	D	92.1	Very high	92.5	Very high	82 Å²	82	39.4 Å²	39.4	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-92.8	-22.5	-165.7	-61.5	-16.8	0	0	0	112.7	V345 I346	V345-D349 WeakPolarHBondContact O-CB 3.03Å; V345-D349 PolarHBondContact O-N 2.83Å; I346-D349 PolarHBondContact O-N 3.45Å
350	Y	93.1	Very high	93	Very high	31 Å²	31	39.6 Å²	39.6	12%	0.122	19%	0.189	C	C	.	.			trans	-114.1	105	177.2	-58.6	-68.1	0	0	0	111.7	I346 Y407 L408 Q411 V413 Q441	I346-Y350 HydrophobicContact CB-CD2 4.43Å; I346-Y350 HydrophobicContact CD1-CD2 3.97Å; I346-Y350 HydrophobicContact CD1-CE2 3.8Å; I346-Y350 HydrophobicContact CG2-CD2 4.05Å; I346-Y350 WeakPolarHBondContact O-CB 3.07Å; I346-Y350 PolarHBondContact O-N 3.17Å; Y350-Y407 WeakPolarHBondContact CA-OH 3.35Å; Y350-L408 HydrophobicContact CG-CD2 4.37Å; Y350-Q411 HydrophobicContact CD1-CB 4.02Å; Y350-Q411 HydrophobicContact CD1-CG 3.92Å; Y350-Q411 HydrophobicContact CE1-CB 3.44Å; Y350-Q411 VanDerWaalsContact CE1-CB 3.44Å; Y350-Q411 HydrophobicContact CE1-CG 3.68Å; Y350-V413 HydrophobicContact CD2-CG2 4Å; Y350-V413 HydrophobicContact CE1-CG2 4.34Å; Y350-V413 HydrophobicContact CE2-CG2 3.5Å; Y350-Q441 PolarHBondContact OH-NE2 2.9Å; Y350-Q441 VanDerWaalsContact OH-NE2 3.09Å
351	R	95	Very high	93.4	Very high	142 Å²	142	39.4 Å²	39.4	54%	0.536	19%	0.188	S	C	.	.			trans	-114.6	122.9	-177.5	-65.4	-178.7	175.7	-121	-4.3	110.6	E357 Y407	R351-E357 IonicContact NH1-OE1 3.02Å; R351-E357 PolarHBondContact NH1-OE1 3.43Å; R351-Y407 PolarHBondContact N-OH 3.5Å; R351-Y407 PolarHBondContact O-OH 3.45Å
352	H	97.6	Very high	93.7	Very high	47 Å²	47	38.9 Å²	38.9	22%	0.218	19%	0.186	C	C	.	.			trans	-143.7	147.2	-179.3	-172.3	-102	0	0	0	110	N354 I355 Y407	H352-N354 PolarHBondContact CE1-OD1 2.89Å; H352-N354 PolarHBondContact ND1-N 3.01Å; H352-N354 PolarHBondContact O-N 2.8Å; H352-I355 HydrophobicContact CB-CB 4.08Å; H352-I355 HydrophobicContact CB-CD1 3.77Å; H352-I355 HydrophobicContact CB-CG1 3.92Å; H352-I355 PolarHBondContact O-N 2.75Å; H352-Y407 HydrophobicContact CB-CD1 3.65Å; H352-Y407 HydrophobicContact CB-CE1 3.83Å; H352-Y407 HydrophobicContact CB-CG 4.36Å; H352-Y407 AromaticContact CD2-CG 3.94Å; H352-Y407 AromaticContact CG-CD1 3.99Å
353	P	97.4	Very high	94.1	Very high	98 Å²	98	38.6 Å²	38.6	64%	0.636	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.9	178.6	-28.4	37.1	0	0	0	114.8	K432	P353-K432 WeakPolarHBondContact O-CE 3.47Å
354	N	98.2	Very high	94.5	Very high	16 Å²	16	39.8 Å²	39.8	9%	0.086	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	25.6	179	-52.3	94.9	0	0	0	113.3	H352 Q400 A404 I431 K432 L433	H352-N354 PolarHBondContact CE1-OD1 2.89Å; H352-N354 PolarHBondContact ND1-N 3.01Å; H352-N354 PolarHBondContact O-N 2.8Å; N354-Q400 WeakPolarHBondContact CB-O 3.45Å; N354-Q400 WeakPolarHBondContact ND2-CB 3.18Å; N354-Q400 WeakPolarHBondContact ND2-CG 3.21Å; N354-Q400 PolarHBondContact ND2-OE1 3.18Å; N354-A404 HydrophobicContact CB-CB 4.04Å; N354-A404 WeakPolarHBondContact O-CB 3.32Å; N354-I431 WeakPolarHBondContact CA-O 3.49Å; N354-I431 WeakPolarHBondContact CB-O 3.42Å; N354-I431 PolarHBondContact ND2-O 3.36Å; N354-K432 WeakPolarHBondContact O-CA 3.16Å; N354-L433 PolarHBondContact O-N 3.06Å
355	I	97.5	Very high	94.6	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-121.7	142.4	169.6	-74.2	177.1	0	0	0	107.9	H352 E357 A404 Y407 L408 F436	H352-I355 HydrophobicContact CB-CB 4.08Å; H352-I355 HydrophobicContact CB-CD1 3.77Å; H352-I355 HydrophobicContact CB-CG1 3.92Å; H352-I355 PolarHBondContact O-N 2.75Å; I355-E357 PolarHBondContact O-N 2.75Å; I355-A404 HydrophobicContact CG1-CB 4.13Å; I355-Y407 HydrophobicContact CD1-CD1 3.98Å; I355-Y407 HydrophobicContact CD1-CE1 4.15Å; I355-L408 HydrophobicContact CD1-CD1 3.89Å; I355-L408 HydrophobicContact CD1-CD2 3.86Å; I355-L408 HydrophobicContact CD1-CG 3.84Å; I355-F436 HydrophobicContact CB-CZ 4.34Å; I355-F436 HydrophobicContact CD1-CZ 4.48Å; I355-F436 HydrophobicContact CG1-CZ 4.11Å; I355-F436 HydrophobicContact CG2-CE2 3.92Å; I355-F436 HydrophobicContact CG2-CZ 3.65Å
356	V	96.7	Very high	94.6	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63	121.8	175.8	173.9	0	0	0	0	110.5	M347 M358 M372 E373 L375 L424 K432 L433	M347-V356 HydrophobicContact CE-CB 3.89Å; M347-V356 HydrophobicContact CE-CG1 3.61Å; M347-V356 VanDerWaalsContact CE-O 3.23Å; M347-V356 WeakPolarHBondContact CE-O 3.27Å; V356-M358 PolarHBondContact O-N 3.49Å; V356-M372 HydrophobicContact CG1-CB 3.98Å; V356-M372 HydrophobicContact CG1-CG 4.09Å; V356-M372 HydrophobicContact CG1-SD 4.06Å; V356-E373 WeakPolarHBondContact CA-OE1 3.5Å; V356-E373 HydrophobicContact CG1-CG 3.99Å; V356-L375 HydrophobicContact CG2-CD1 3.88Å; V356-L424 HydrophobicContact CG2-CD1 4.16Å; V356-K432 HydrophobicContact CG2-CB 3.99Å; V356-L433 WeakPolarHBondContact CG2-O 3.32Å; V356-L433 PolarHBondContact N-O 3.27Å
357	E	96.1	Very high	94.9	Very high	76 Å²	76	45 Å²	45	36%	0.355	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-73.8	119.8	177.1	-177.9	171.8	-146.4	0	0	111.4	R351 I355 Y359 M372 E373	R351-E357 IonicContact NH1-OE1 3.02Å; R351-E357 PolarHBondContact NH1-OE1 3.43Å; I355-E357 PolarHBondContact O-N 2.75Å; E357-Y359 HydrophobicContact CB-CE1 4.49Å; E357-Y359 HydrophobicContact CG-CD1 4.08Å; E357-Y359 HydrophobicContact CG-CE1 3.96Å; E357-Y359 WeakPolarHBondContact OE2-CE1 3.15Å; E357-M372 CarbonylContact O-C 3.57Å; E357-M372 VanDerWaalsContact O-CA 3.24Å; E357-M372 WeakPolarHBondContact O-CA 3.47Å; E357-M372 VanDerWaalsContact O-CB 3.29Å; E357-M372 WeakPolarHBondContact O-CB 3.3Å; E357-E373 PolarHBondContact N-OE1 3.39Å; E357-E373 PolarHBondContact O-N 3.17Å
358	M	95.5	Very high	95.2	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.7	164	-176	180	79.8	0	0	110.3	V344 M347 R348 V356 S360 V370 V371	V344-M358 HydrophobicContact CG1-CE 4.27Å; M347-M358 HydrophobicContact CB-CB 3.68Å; M347-M358 HydrophobicContact CB-SD 4.37Å; M347-M358 HydrophobicContact CE-CB 4.18Å; R348-M358 HydrophobicContact CB-CE 3.67Å; R348-M358 HydrophobicContact CG-CE 4.2Å; V356-M358 PolarHBondContact O-N 3.49Å; M358-S360 WeakPolarHBondContact CG-O 3.39Å; M358-V370 HydrophobicContact CG-CG1 3.84Å; M358-V370 HydrophobicContact SD-CG1 3.75Å; M358-V371 WeakPolarHBondContact CG-O 3.46Å
359	Y	94.7	Very high	95.4	Very high	80 Å²	80	41.3 Å²	41.3	31%	0.314	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-43.8	173.5	-59.1	-38.5	0	0	0	112.1	R322 V324 E357 V371 E373	R322-Y359 VanDerWaalsContact NH1-CZ 3.32Å; R322-Y359 PolarHBondContact NH1-OH 3.28Å; V324-Y359 HydrophobicContact CG1-CD2 3.97Å; V324-Y359 HydrophobicContact CG1-CE2 3.87Å; E357-Y359 HydrophobicContact CB-CE1 4.49Å; E357-Y359 HydrophobicContact CG-CD1 4.08Å; E357-Y359 HydrophobicContact CG-CE1 3.96Å; E357-Y359 WeakPolarHBondContact OE2-CE1 3.15Å; Y359-V371 HydrophobicContact CD2-CG1 4.47Å; Y359-V371 PolarHBondContact N-O 3.33Å; Y359-E373 HydrophobicContact CE2-CB 4.3Å; Y359-E373 WeakPolarHBondContact OH-CB 3.27Å
360	S	95.1	Very high	95.6	Very high	24 Å²	24	37.4 Å²	37.4	17%	0.168	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	170.4	176.4	67.4	0	0	0	0	111.7	D290 M358 H362 V371	D290-S360 WeakPolarHBondContact OD2-CA 3.34Å; D290-S360 WeakPolarHBondContact OD2-CB 3.47Å; M358-S360 WeakPolarHBondContact CG-O 3.39Å; S360-H362 WeakPolarHBondContact CB-NE2 3.38Å; S360-H362 PolarHBondContact OG-CD2 2.86Å; S360-H362 PolarHBondContact OG-NE2 3.26Å; S360-V371 PolarHBondContact N-O 3.34Å; S360-V371 PolarHBondContact O-N 2.91Å
361	S	96.2	Very high	95.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.5	174.7	60	0	0	0	0	110.1	V289 D290 V344 W369	V289-S361 WeakPolarHBondContact CA-OG 3.13Å; V289-S361 WeakPolarHBondContact CB-O 3.15Å; D290-S361 WeakPolarHBondContact CA-O 3.45Å; D290-S361 VanDerWaalsContact CB-O 3.25Å; D290-S361 WeakPolarHBondContact CB-O 3.4Å; D290-S361 PolarHBondContact N-O 2.93Å; D290-S361 PolarHBondContact OD2-N 2.86Å; D290-S361 PolarHBondContact OD2-OG 2.79Å; V344-S361 WeakPolarHBondContact CG1-OG 3.32Å; S361-W369 CarbonylContact C-O 3.53Å; S361-W369 WeakPolarHBondContact CA-O 3.45Å
362	H	96.7	Very high	95.7	Very high	19 Å²	19	29.9 Å²	29.9	9%	0.088	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.3	-174.2	-59.6	-93.9	0	0	0	111.3	G292 P294 S360 V364 W369	G292-H362 PolarHBondContact O-ND1 2.82Å; P294-H362 HydrophobicContact CG-CB 3.84Å; S360-H362 WeakPolarHBondContact CB-NE2 3.38Å; S360-H362 PolarHBondContact OG-CD2 2.86Å; S360-H362 PolarHBondContact OG-NE2 3.26Å; H362-V364 HydrophobicContact CB-CG2 4.18Å; H362-W369 PolarHBondContact N-O 2.79Å; H362-W369 PolarHBondContact O-N 3.32Å
363	L	95.7	Very high	95.7	Very high	20 Å²	20	28.7 Å²	28.7	11%	0.105	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	91	179	-173.4	65.1	0	0	0	110.8	R282 L285 Q286 V289 L331 E367	R282-L363 HydrophobicContact CG-CD2 3.77Å; L285-L363 HydrophobicContact CD2-CD1 4.28Å; Q286-L363 HydrophobicContact CB-CD2 4.01Å; V289-L363 HydrophobicContact CG2-CB 4.18Å; L331-L363 HydrophobicContact CD1-CD1 3.83Å; L331-L363 HydrophobicContact CD2-CD1 3.87Å; L363-E367 CarbonylContact C-O 3.54Å
364	V	94.9	Very high	95.6	Very high	26 Å²	26	27 Å²	27	16%	0.158	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.4	-170.9	-172.7	0	0	0	0	109.8	P294 H362 D366 E367 W369	P294-V364 HydrophobicContact CG-CG2 3.62Å; H362-V364 HydrophobicContact CB-CG2 4.18Å; V364-D366 PolarHBondContact O-N 2.75Å; V364-E367 PolarHBondContact N-O 2.92Å; V364-E367 PolarHBondContact O-N 3.29Å; V364-W369 HydrophobicContact CB-CD2 4.03Å; V364-W369 HydrophobicContact CB-CG 4.22Å; V364-W369 HydrophobicContact CB-CZ2 4.1Å; V364-W369 HydrophobicContact CG1-CH2 4.11Å; V364-W369 HydrophobicContact CG1-CZ2 3.78Å; V364-W369 HydrophobicContact CG2-CB 4.36Å; V364-W369 HydrophobicContact CG2-CD2 3.74Å; V364-W369 HydrophobicContact CG2-CE3 4.02Å; V364-W369 HydrophobicContact CG2-CG 3.92Å; V364-W369 HydrophobicContact CG2-CZ2 4.47Å; V364-W369 HydrophobicContact CG2-CZ3 4.46Å
365	G	92.4	Very high	95.4	Very high	56 Å²	56	26.9 Å²	26.9	58%	0.577	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-134.4	-167.3	0	0	0	0	0	109.8	R282	R282-G365 PolarHBondContact NH1-O 3Å; R282-G365 PolarHBondContact NH2-O 3.13Å
366	D	92.6	Very high	95.2	Very high	39 Å²	39	30.2 Å²	30.2	21%	0.209	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	26.8	172.9	-109.4	-14.9	0	0	0	113.6	H278 R282 L331 R332 V364	H278-D366 IonicContact CD2-OD1 2.8Å; H278-D366 IonicContact CD2-OD2 2.82Å; H278-D366 IonicContact CE1-OD1 3.18Å; H278-D366 IonicContact CE1-OD2 3.06Å; H278-D366 IonicContact NE2-OD1 2.75Å; H278-D366 PolarHBondContact NE2-OD1 3.39Å; H278-D366 IonicContact NE2-OD2 3.18Å; H278-D366 PolarHBondContact NE2-OD2 3.08Å; R282-D366 IonicContact CZ-OD1 2.76Å; R282-D366 IonicContact NH1-OD1 2.9Å; R282-D366 PolarHBondContact NH1-OD1 2.96Å; L331-D366 WeakPolarHBondContact CB-O 3.34Å; L331-D366 WeakPolarHBondContact CD1-O 3.4Å; L331-D366 PolarHBondContact N-O 3.45Å; R332-D366 IonicContact CZ-OD2 3.37Å; R332-D366 IonicContact NE-OD2 2.61Å; R332-D366 PolarHBondContact NE-OD2 2.91Å; R332-D366 IonicContact NH2-OD2 2.68Å; R332-D366 PolarHBondContact NH2-OD2 3.4Å; V364-D366 PolarHBondContact O-N 2.75Å
367	E	94.7	Very high	94.9	Very high	70 Å²	70	30.6 Å²	30.6	33%	0.327	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.3	172.9	-57.1	-170.6	139.5	0	0	112	M329 L363 V364 W369	M329-E367 WeakPolarHBondContact O-CA 3.47Å; L363-E367 CarbonylContact C-O 3.54Å; V364-E367 PolarHBondContact N-O 2.92Å; V364-E367 PolarHBondContact O-N 3.29Å; E367-W369 PolarHBondContact OE2-NE1 3.36Å
368	L	95	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.5	162	172.3	65.4	0	0	0	107.7	L285 V289 M329 L331 L340 V344 V370	L285-L368 HydrophobicContact CD2-CB 4.29Å; L285-L368 HydrophobicContact CD2-CD1 4.42Å; L285-L368 HydrophobicContact CD2-CD2 4.37Å; V289-L368 HydrophobicContact CG1-CD1 3.73Å; M329-L368 HydrophobicContact CE-CB 4.44Å; M329-L368 HydrophobicContact CE-CD2 3.63Å; M329-L368 HydrophobicContact CE-CG 3.9Å; M329-L368 PolarHBondContact N-O 2.75Å; M329-L368 PolarHBondContact O-N 3.44Å; L331-L368 HydrophobicContact CD1-CB 3.91Å; L340-L368 HydrophobicContact CB-CD2 3.97Å; L340-L368 HydrophobicContact CD2-CD2 4.36Å; V344-L368 HydrophobicContact CG2-CD1 3.99Å; V344-L368 HydrophobicContact CG2-CD2 3.91Å; L368-V370 HydrophobicContact CD2-CG2 4.34Å; L368-V370 HydrophobicContact CG-CG2 4.22Å
369	W	96.4	Very high	94.6	Very high	25 Å²	25	28.7 Å²	28.7	10%	0.095	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.6	172.8	-71.8	23.3	0	0	0	108.6	P294 F301 V326 K327 K328 S361 H362 V364 E367	P294-W369 HydrophobicContact CB-CE3 4.46Å; P294-W369 HydrophobicContact CG-CD2 4.42Å; P294-W369 HydrophobicContact CG-CE3 3.58Å; P294-W369 HydrophobicContact CG-CZ3 3.95Å; F301-W369 HydrophobicContact CE1-CE3 4.48Å; F301-W369 AromaticContact CE1-CZ3 3.93Å; F301-W369 HydrophobicContact CE1-CZ3 3.93Å; F301-W369 HydrophobicContact CZ-CH2 4.3Å; F301-W369 AromaticContact CZ-CZ3 3.67Å; F301-W369 HydrophobicContact CZ-CZ3 3.67Å; V326-W369 HydrophobicContact CG1-CB 4.18Å; V326-W369 HydrophobicContact CG1-CD2 4.18Å; V326-W369 HydrophobicContact CG1-CE3 3.88Å; V326-W369 HydrophobicContact CG1-CG 4.31Å; K327-W369 WeakPolarHBondContact O-CA 3.47Å; K328-W369 HydrophobicContact CD-CD2 3.96Å; K328-W369 HydrophobicContact CD-CG 4.39Å; K328-W369 HydrophobicContact CD-CZ2 3.84Å; K328-W369 HydrophobicContact CG-CD2 4.01Å; K328-W369 HydrophobicContact CG-CG 3.94Å; K328-W369 VanDerWaalsContact NZ-CZ3 3.35Å; S361-W369 CarbonylContact C-O 3.53Å; S361-W369 WeakPolarHBondContact CA-O 3.45Å; H362-W369 PolarHBondContact N-O 2.79Å; H362-W369 PolarHBondContact O-N 3.32Å; V364-W369 HydrophobicContact CB-CD2 4.03Å; V364-W369 HydrophobicContact CB-CG 4.22Å; V364-W369 HydrophobicContact CB-CZ2 4.1Å; V364-W369 HydrophobicContact CG1-CH2 4.11Å; V364-W369 HydrophobicContact CG1-CZ2 3.78Å; V364-W369 HydrophobicContact CG2-CB 4.36Å; V364-W369 HydrophobicContact CG2-CD2 3.74Å; V364-W369 HydrophobicContact CG2-CE3 4.02Å; V364-W369 HydrophobicContact CG2-CG 3.92Å; V364-W369 HydrophobicContact CG2-CZ2 4.47Å; V364-W369 HydrophobicContact CG2-CZ3 4.46Å; E367-W369 PolarHBondContact OE2-NE1 3.36Å
370	V	95.4	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122	171	173.6	0	0	0	0	108.3	V326 K327 M329 E343 V344 M347 M358 L368	V326-V370 CarbonylContact C-O 3.6Å; V326-V370 WeakPolarHBondContact CA-O 3.45Å; K327-V370 HydrophobicContact CB-CB 4.45Å; K327-V370 PolarHBondContact N-O 3.4Å; K327-V370 PolarHBondContact O-N 3.01Å; M329-V370 HydrophobicContact CE-CB 4.4Å; M329-V370 HydrophobicContact CE-CG2 3.72Å; E343-V370 HydrophobicContact CG-CG2 4.07Å; V344-V370 HydrophobicContact CG2-CG2 4.24Å; M347-V370 HydrophobicContact SD-CG1 4.35Å; M358-V370 HydrophobicContact CG-CG1 3.84Å; M358-V370 HydrophobicContact SD-CG1 3.75Å; L368-V370 HydrophobicContact CD2-CG2 4.34Å; L368-V370 HydrophobicContact CG-CG2 4.22Å
371	V	95.9	Very high	94.6	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.7	179.6	-173.5	0	0	0	0	108.2	L298 V324 A325 V326 M358 Y359 S360	L298-V371 HydrophobicContact CD1-CG1 4.29Å; L298-V371 HydrophobicContact CD1-CG2 4.02Å; V324-V371 HydrophobicContact CB-CG1 4.07Å; V324-V371 HydrophobicContact CG1-CG1 4.49Å; V324-V371 HydrophobicContact CG2-CG1 3.93Å; A325-V371 WeakPolarHBondContact O-CA 3.21Å; V326-V371 HydrophobicContact CG1-CG2 4.45Å; V326-V371 HydrophobicContact CG2-CG2 4.46Å; M358-V371 WeakPolarHBondContact CG-O 3.46Å; Y359-V371 HydrophobicContact CD2-CG1 4.47Å; Y359-V371 PolarHBondContact N-O 3.33Å; S360-V371 PolarHBondContact N-O 3.34Å; S360-V371 PolarHBondContact O-N 2.91Å
372	M	96	Very high	94.3	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	172.1	-170.3	64.5	-160.1	178.7	0	0	111	V312 V324 A325 K327 M347 V356 E357	V312-M372 HydrophobicContact CG1-CE 4.11Å; V324-M372 WeakPolarHBondContact CA-O 3.26Å; A325-M372 HydrophobicContact CB-CE 3.67Å; A325-M372 HydrophobicContact CB-CG 3.79Å; A325-M372 PolarHBondContact N-O 3.09Å; A325-M372 PolarHBondContact O-N 3Å; K327-M372 HydrophobicContact CB-CE 3.96Å; K327-M372 HydrophobicContact CD-CE 4.49Å; M347-M372 HydrophobicContact CE-CB 4.3Å; M347-M372 HydrophobicContact CE-SD 4.16Å; V356-M372 HydrophobicContact CG1-CB 3.98Å; V356-M372 HydrophobicContact CG1-CG 4.09Å; V356-M372 HydrophobicContact CG1-SD 4.06Å; E357-M372 CarbonylContact O-C 3.57Å; E357-M372 VanDerWaalsContact O-CA 3.24Å; E357-M372 WeakPolarHBondContact O-CA 3.47Å; E357-M372 VanDerWaalsContact O-CB 3.29Å; E357-M372 WeakPolarHBondContact O-CB 3.3Å
373	E	95.8	Very high	94.2	Very high	23 Å²	23	25 Å²	25	11%	0.107	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	145.2	174.1	65.8	-178.2	128.7	0	0	112.4	A325 V356 E357 Y359 L375 K432	A325-E373 WeakPolarHBondContact CB-O 3.22Å; V356-E373 WeakPolarHBondContact CA-OE1 3.5Å; V356-E373 HydrophobicContact CG1-CG 3.99Å; E357-E373 PolarHBondContact N-OE1 3.39Å; E357-E373 PolarHBondContact O-N 3.17Å; Y359-E373 HydrophobicContact CE2-CB 4.3Å; Y359-E373 WeakPolarHBondContact OH-CB 3.27Å; E373-L375 HydrophobicContact CG-CD2 4.4Å; E373-L375 HydrophobicContact CG-CG 4.23Å; E373-K432 WeakPolarHBondContact OE1-CD 3.34Å; E373-K432 WeakPolarHBondContact OE1-CE 3.44Å; E373-K432 IonicContact OE1-NZ 3.31Å; E373-K432 PolarHBondContact OE1-NZ 3.29Å; E373-K432 IonicContact OE2-NZ 2.98Å; E373-K432 PolarHBondContact OE2-NZ 3.4Å
374	Y	95.8	Very high	94	Very high	61 Å²	61	24.5 Å²	24.5	24%	0.239	15%	0.146	C	C	.	.			trans	-91.7	130.5	170.4	-179.3	-104.1	0	0	0	109	I304 M314 R323 A325 E376	I304-Y374 HydrophobicContact CD1-CD2 4.14Å; I304-Y374 HydrophobicContact CD1-CE2 3.7Å; M314-Y374 HydrophobicContact CB-CD2 4.06Å; M314-Y374 HydrophobicContact CB-CE2 3.84Å; M314-Y374 HydrophobicContact CG-CD2 3.74Å; M314-Y374 HydrophobicContact CG-CE2 3.71Å; M314-Y374 HydrophobicContact CG-CG 4.18Å; R323-Y374 HydrophobicContact CB-CD1 4.19Å; R323-Y374 HydrophobicContact CB-CG 4.33Å; A325-Y374 HydrophobicContact CB-CD2 4.42Å; Y374-E376 HydrophobicContact CD1-CG 4.23Å; Y374-E376 WeakPolarHBondContact CD1-OE1 2.97Å; Y374-E376 HydrophobicContact CE1-CB 4.46Å; Y374-E376 HydrophobicContact CE1-CG 3.9Å
375	L	95.1	Very high	93.8	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.079	16%	0.164	C	C	.	.			trans	-114.3	103.5	-177.4	-72	175.9	0	0	0	109.2	V356 E373 G377 G378 L424 L425 D426 K432	V356-L375 HydrophobicContact CG2-CD1 3.88Å; E373-L375 HydrophobicContact CG-CD2 4.4Å; E373-L375 HydrophobicContact CG-CG 4.23Å; L375-G377 PolarHBondContact O-N 3.05Å; L375-G378 PolarHBondContact O-N 3.45Å; L375-L424 HydrophobicContact CB-CB 4.33Å; L375-L424 HydrophobicContact CD1-CB 3.48Å; L375-L424 VanDerWaalsContact CD1-CB 3.48Å; L375-L424 HydrophobicContact CD1-CD1 4.03Å; L375-L424 HydrophobicContact CD1-CG 4.41Å; L375-L425 CarbonylContact C-O 3.53Å; L375-L425 WeakPolarHBondContact CB-O 3.11Å; L375-D426 HydrophobicContact CD2-CB 3.71Å; L375-K432 HydrophobicContact CD1-CB 3.99Å; L375-K432 HydrophobicContact CD1-CD 4.13Å; L375-K432 HydrophobicContact CD1-CG 4.4Å; L375-K432 HydrophobicContact CD2-CD 4.24Å
376	E	91.5	Very high	93.4	Very high	76 Å²	76	28 Å²	28	36%	0.355	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.4	-170.1	-75.5	71.3	-162.3	0	0	115	R323 Y374 G378 A427	R323-E376 IonicContact CZ-OE1 2.66Å; R323-E376 IonicContact NE-OE1 3.03Å; R323-E376 IonicContact NH2-OE1 2.65Å; R323-E376 PolarHBondContact NH2-OE1 3.27Å; Y374-E376 HydrophobicContact CD1-CG 4.23Å; Y374-E376 WeakPolarHBondContact CD1-OE1 2.97Å; Y374-E376 HydrophobicContact CE1-CB 4.46Å; Y374-E376 HydrophobicContact CE1-CG 3.9Å; E376-G378 VanDerWaalsContact C-N 3.29Å; E376-G378 PolarHBondContact O-N 3.04Å; E376-A427 HydrophobicContact CB-CB 3.97Å; E376-A427 HydrophobicContact CG-CB 4.27Å
377	G	90.8	Very high	93.2	Very high	10 Å²	10	27.5 Å²	27.5	10%	0.103	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.1	-175.1	0	0	0	0	0	114.9	L375 L425	L375-G377 PolarHBondContact O-N 3.05Å; G377-L425 WeakPolarHBondContact CA-O 3.38Å; G377-L425 PolarHBondContact N-O 3.38Å
378	G	92.3	Very high	93	Very high	30 Å²	30	32.6 Å²	32.6	31%	0.309	17%	0.174	S	C	.	.			trans	71.2	-153.6	179.4	0	0	0	0	0	112.8	L375 E376 L424 L425	L375-G378 PolarHBondContact O-N 3.45Å; E376-G378 VanDerWaalsContact C-N 3.29Å; E376-G378 PolarHBondContact O-N 3.04Å; G378-L424 VanDerWaalsContact O-CA 3.3Å; G378-L424 WeakPolarHBondContact O-CA 3.45Å; G378-L425 PolarHBondContact O-N 2.95Å
379	A	93.6	Very high	93	Very high	13 Å²	13	33.5 Å²	33.5	11%	0.107	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-94.1	148.5	180	0	0	0	0	0	112.2	T381 D382 I423 L424	A379-T381 PolarHBondContact O-N 3.2Å; A379-D382 WeakPolarHBondContact O-CB 3.35Å; A379-D382 PolarHBondContact O-N 2.94Å; A379-I423 CarbonylContact C-O 3.55Å; A379-I423 WeakPolarHBondContact CA-O 3.44Å; A379-L424 HydrophobicContact CB-CD2 3.89Å
380	L	95.8	Very high	93	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-30.1	176.8	-179.5	64.1	0	0	0	112.2	D382 I383 V384 M389 V397 I423 L425 M485	L380-D382 PolarHBondContact O-N 3.46Å; L380-I383 HydrophobicContact CD1-CB 4.47Å; L380-I383 WeakPolarHBondContact O-CA 3.36Å; L380-I383 WeakPolarHBondContact O-CB 3.21Å; L380-I383 PolarHBondContact O-N 3.15Å; L380-V384 HydrophobicContact CD1-CG1 4.21Å; L380-V384 HydrophobicContact CG-CG1 4.12Å; L380-V384 PolarHBondContact O-N 3.38Å; L380-M389 HydrophobicContact CD1-CE 4.43Å; L380-M389 HydrophobicContact CD1-SD 4.03Å; L380-V397 HydrophobicContact CD1-CG2 4.45Å; L380-V397 HydrophobicContact CD2-CG1 3.91Å; L380-I423 HydrophobicContact CB-CB 3.92Å; L380-I423 HydrophobicContact CB-CG2 4.11Å; L380-I423 HydrophobicContact CD2-CB 4.05Å; L380-I423 HydrophobicContact CD2-CG1 4.36Å; L380-I423 HydrophobicContact CD2-CG2 4.01Å; L380-I423 PolarHBondContact N-O 3.19Å; L380-L425 HydrophobicContact CB-CD1 4.24Å; L380-M485 HydrophobicContact CD2-CG 4.12Å; L380-M485 HydrophobicContact CD2-SD 3.92Å
381	T	93.5	Very high	93.1	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-55.5	-35.5	176.3	-23.3	0	0	0	0	112.3	R140 A379 I383 T385 S420 D421	R140-T381 VanDerWaalsContact CZ-CB 3.48Å; A379-T381 PolarHBondContact O-N 3.2Å; T381-I383 VanDerWaalsContact C-N 3.25Å; T381-I383 PolarHBondContact O-N 3.46Å; T381-T385 WeakPolarHBondContact O-CB 3.46Å; T381-T385 WeakPolarHBondContact O-CG2 3.29Å; T381-T385 PolarHBondContact O-N 3.46Å; T381-T385 VanDerWaalsContact O-N 3.13Å; T381-T385 PolarHBondContact O-OG1 3.41Å; T381-S420 WeakPolarHBondContact CB-OG 3.49Å; T381-S420 VanDerWaalsContact CG2-OG 3.23Å; T381-S420 WeakPolarHBondContact CG2-OG 3.41Å; T381-S420 VanDerWaalsContact OG1-C 3.23Å; T381-S420 PolarHBondContact OG1-OG 3.49Å; T381-S420 VanDerWaalsContact OG1-OG 3.06Å; T381-D421 WeakPolarHBondContact CB-OD1 3.39Å; T381-D421 WeakPolarHBondContact OG1-CA 3.35Å; T381-D421 PolarHBondContact OG1-N 3.08Å; T381-D421 PolarHBondContact OG1-OD1 2.92Å
382	D	91	Very high	93.2	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-78.4	-17.5	-175.9	-59.6	1	0	0	0	110.5	T136 R140 A379 L380 S386 N565	T136-D382 HydrophobicContact CG2-CB 4.4Å; T136-D382 WeakPolarHBondContact CG2-OD1 3.44Å; R140-D382 IonicContact CZ-OD1 3.88Å; R140-D382 VanDerWaalsContact CZ-OD1 3.31Å; R140-D382 IonicContact NH1-OD1 3.87Å; R140-D382 PolarHBondContact NH1-OD1 3.27Å; R140-D382 IonicContact NH2-OD1 3.92Å; R140-D382 PolarHBondContact NH2-OD1 2.84Å; A379-D382 WeakPolarHBondContact O-CB 3.35Å; A379-D382 PolarHBondContact O-N 2.94Å; L380-D382 PolarHBondContact O-N 3.46Å; D382-S386 WeakPolarHBondContact O-CB 3.44Å; D382-S386 PolarHBondContact O-OG 2.95Å; D382-S386 VanDerWaalsContact O-OG 3.1Å; D382-N565 PolarHBondContact O-ND2 3.41Å
383	I	93	Very high	93.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-82.7	-53	169.9	-66.8	174.9	0	0	0	110.3	L380 T381 T385 S386 C387 M389 L425 L561 V562 N565	L380-I383 HydrophobicContact CD1-CB 4.47Å; L380-I383 WeakPolarHBondContact O-CA 3.36Å; L380-I383 WeakPolarHBondContact O-CB 3.21Å; L380-I383 PolarHBondContact O-N 3.15Å; T381-I383 VanDerWaalsContact C-N 3.25Å; T381-I383 PolarHBondContact O-N 3.46Å; I383-T385 PolarHBondContact O-N 2.95Å; I383-S386 PolarHBondContact O-N 3.11Å; I383-S386 VanDerWaalsContact O-N 3.07Å; I383-S386 PolarHBondContact O-OG 2.86Å; I383-C387 PolarHBondContact O-N 2.92Å; I383-C387 PolarHBondContact O-SG 3.12Å; I383-M389 HydrophobicContact CG2-CG 4.14Å; I383-M389 HydrophobicContact CG2-SD 3.98Å; I383-L425 HydrophobicContact CD1-CD1 3.73Å; I383-L425 HydrophobicContact CD1-CD2 3.58Å; I383-L425 HydrophobicContact CD1-CG 4.3Å; I383-L561 HydrophobicContact CD1-CB 4.08Å; I383-L561 HydrophobicContact CG1-CB 4.4Å; I383-L561 HydrophobicContact CG2-CB 4Å; I383-L561 HydrophobicContact CG2-CD1 3.88Å; I383-L561 HydrophobicContact CG2-CG 4.48Å; I383-V562 HydrophobicContact CD1-CG2 4.39Å; I383-N565 WeakPolarHBondContact CG1-ND2 3.48Å; I383-N565 PolarHBondContact N-ND2 3.23Å
384	V	92.9	Very high	93.4	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-23.4	-174.6	-53	0	0	0	0	113.4	L380 M389 E484 M485	L380-V384 HydrophobicContact CD1-CG1 4.21Å; L380-V384 HydrophobicContact CG-CG1 4.12Å; L380-V384 PolarHBondContact O-N 3.38Å; V384-M389 HydrophobicContact CG1-SD 4.07Å; V384-E484 HydrophobicContact CG2-CG 4.12Å; V384-M485 HydrophobicContact CG1-CB 4.27Å; V384-M485 HydrophobicContact CG1-CG 3.82Å
385	T	89.3	Confident	93.5	Very high	87 Å²	87	36.7 Å²	36.7	53%	0.534	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.7	174	56.2	0	0	0	0	114.2	T381 I383	T381-T385 WeakPolarHBondContact O-CB 3.46Å; T381-T385 WeakPolarHBondContact O-CG2 3.29Å; T381-T385 PolarHBondContact O-N 3.46Å; T381-T385 VanDerWaalsContact O-N 3.13Å; T381-T385 PolarHBondContact O-OG1 3.41Å; I383-T385 PolarHBondContact O-N 2.95Å
386	S	85.8	Confident	93.7	Very high	69 Å²	69	36.1 Å²	36.1	48%	0.483	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-28.9	179	76.4	0	0	0	0	113.6	D382 I383 N565	D382-S386 WeakPolarHBondContact O-CB 3.44Å; D382-S386 PolarHBondContact O-OG 2.95Å; D382-S386 VanDerWaalsContact O-OG 3.1Å; I383-S386 PolarHBondContact O-N 3.11Å; I383-S386 VanDerWaalsContact O-N 3.07Å; I383-S386 PolarHBondContact O-OG 2.86Å; S386-N565 WeakPolarHBondContact CB-OD1 3.37Å; S386-N565 PolarHBondContact OG-OD1 3.19Å
387	C	86.9	Confident	94	Very high	28 Å²	28	32.5 Å²	32.5	19%	0.189	18%	0.182	C	C	.	.	S	Bend	trans	-150.8	156.7	-175.1	66.7	0	0	0	0	113.2	I383	I383-C387 PolarHBondContact O-N 2.92Å; I383-C387 PolarHBondContact O-SG 3.12Å
388	R	90.9	Very high	94.4	Very high	177 Å²	177	32 Å²	32	67%	0.668	18%	0.177	S	C	*	.	P	Polyproline II helix	trans	-82.7	134.4	171.5	-71.3	-174.6	168.7	-145.9	-10.6	110.3
389	M	95.1	Very high	94.7	Very high	18 Å²	18	34.6 Å²	34.6	9%	0.089	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-90.7	145.6	171.8	-59.4	-177.6	65	0	0	110.1	L380 I383 V384 Q393 I394 V397 M485 L558 L561	L380-M389 HydrophobicContact CD1-CE 4.43Å; L380-M389 HydrophobicContact CD1-SD 4.03Å; I383-M389 HydrophobicContact CG2-CG 4.14Å; I383-M389 HydrophobicContact CG2-SD 3.98Å; V384-M389 HydrophobicContact CG1-SD 4.07Å; M389-Q393 HydrophobicContact CB-CB 4.27Å; M389-Q393 HydrophobicContact CE-CB 3.86Å; M389-I394 HydrophobicContact CB-CD1 4.21Å; M389-I394 HydrophobicContact CB-CG1 3.75Å; M389-V397 HydrophobicContact CE-CG2 3.82Å; M389-M485 HydrophobicContact SD-CG 4.25Å; M389-M485 HydrophobicContact SD-SD 4.36Å; M389-L558 HydrophobicContact CE-CD2 3.85Å; M389-L561 HydrophobicContact CE-CD1 3.96Å; M389-L561 HydrophobicContact CG-CD1 4.07Å; M389-L561 HydrophobicContact SD-CD1 4.49Å
390	D	95.8	Very high	94.9	Very high	75 Å²	75	34.7 Å²	34.7	40%	0.401	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-84.5	167.4	169.2	69.6	56.5	0	0	0	111.9	V392 Q393 I394	D390-V392 VanDerWaalsContact C-N 3.26Å; D390-V392 PolarHBondContact O-N 2.69Å; D390-V392 WeakPolarHBondContact OD1-CA 3.41Å; D390-V392 VanDerWaalsContact OD1-CB 3.32Å; D390-V392 WeakPolarHBondContact OD1-CB 3.37Å; D390-V392 PolarHBondContact OD1-N 2.93Å; D390-Q393 WeakPolarHBondContact O-CB 3.38Å; D390-Q393 PolarHBondContact O-N 3.37Å; D390-Q393 WeakPolarHBondContact OD1-CG 3.11Å; D390-Q393 PolarHBondContact OD1-N 3.17Å; D390-Q393 PolarHBondContact OD2-NE2 3.21Å; D390-Q393 PolarHBondContact OD2-OE1 3Å; D390-I394 VanDerWaalsContact O-CG1 3.3Å; D390-I394 WeakPolarHBondContact O-CG1 3.34Å; D390-I394 PolarHBondContact O-N 2.9Å
391	E	97.9	Very high	95.1	Very high	42 Å²	42	35 Å²	35	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-23.9	-176.7	-68.2	-168.9	159.8	0	0	114.3	A395 S519 L522 F548 K551	E391-A395 WeakPolarHBondContact O-CB 3.41Å; E391-A395 PolarHBondContact O-N 2.61Å; E391-S519 VanDerWaalsContact OE1-CB 3.27Å; E391-S519 WeakPolarHBondContact OE1-CB 3.5Å; E391-S519 PolarHBondContact OE1-N 2.98Å; E391-S519 PolarHBondContact OE1-OG 2.83Å; E391-S519 PolarHBondContact OE2-OG 2.75Å; E391-L522 HydrophobicContact CG-CD2 4Å; E391-F548 HydrophobicContact CB-CE2 4.07Å; E391-F548 HydrophobicContact CB-CZ 4.42Å; E391-F548 HydrophobicContact CG-CE2 4.33Å; E391-K551 HydrophobicContact CB-CD 4.43Å; E391-K551 IonicContact OE2-NZ 3.29Å; E391-K551 PolarHBondContact OE2-NZ 3.45Å
392	V	98	Very high	95.3	Very high	50 Å²	50	34.7 Å²	34.7	30%	0.303	18%	0.179	S	C	.	.	H	α-helix	trans	-74.4	-41.7	174.8	168.4	0	0	0	0	109.6	D390 A395 T396 K551 T553 V557	D390-V392 VanDerWaalsContact C-N 3.26Å; D390-V392 PolarHBondContact O-N 2.69Å; D390-V392 WeakPolarHBondContact OD1-CA 3.41Å; D390-V392 VanDerWaalsContact OD1-CB 3.32Å; D390-V392 WeakPolarHBondContact OD1-CB 3.37Å; D390-V392 PolarHBondContact OD1-N 2.93Å; V392-A395 PolarHBondContact O-N 2.85Å; V392-T396 VanDerWaalsContact O-CB 3.3Å; V392-T396 WeakPolarHBondContact O-CB 3.33Å; V392-T396 PolarHBondContact O-N 3.44Å; V392-T396 PolarHBondContact O-OG1 3.12Å; V392-K551 WeakPolarHBondContact CG1-O 3.4Å; V392-K551 HydrophobicContact CG2-CB 4.48Å; V392-T553 HydrophobicContact CG1-CG2 3.77Å; V392-T553 WeakPolarHBondContact CG1-OG1 3.31Å; V392-V557 HydrophobicContact CG1-CG2 4.34Å
393	Q	97.8	Very high	95.7	Very high	21 Å²	21	35.7 Å²	35.7	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-47.1	172.9	-67.8	170.6	-14.3	0	0	111.2	M389 D390 T396 V397 V557 L558	M389-Q393 HydrophobicContact CB-CB 4.27Å; M389-Q393 HydrophobicContact CE-CB 3.86Å; D390-Q393 WeakPolarHBondContact O-CB 3.38Å; D390-Q393 PolarHBondContact O-N 3.37Å; D390-Q393 WeakPolarHBondContact OD1-CG 3.11Å; D390-Q393 PolarHBondContact OD1-N 3.17Å; D390-Q393 PolarHBondContact OD2-NE2 3.21Å; D390-Q393 PolarHBondContact OD2-OE1 3Å; Q393-T396 PolarHBondContact O-N 3.22Å; Q393-V397 PolarHBondContact O-N 2.75Å; Q393-V557 HydrophobicContact CG-CG1 4.47Å; Q393-V557 HydrophobicContact CG-CG2 4.09Å; Q393-L558 HydrophobicContact CB-CD2 3.7Å; Q393-L558 HydrophobicContact CG-CD2 3.98Å
394	I	98.2	Very high	95.9	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-47.6	176.3	-65.7	170.5	0	0	0	110.5	M389 D390 T396 V397 C398 V482 M485 V486 F548	M389-I394 HydrophobicContact CB-CD1 4.21Å; M389-I394 HydrophobicContact CB-CG1 3.75Å; D390-I394 VanDerWaalsContact O-CG1 3.3Å; D390-I394 WeakPolarHBondContact O-CG1 3.34Å; D390-I394 PolarHBondContact O-N 2.9Å; I394-T396 VanDerWaalsContact C-N 3.3Å; I394-T396 PolarHBondContact O-N 3.05Å; I394-V397 PolarHBondContact O-N 3.36Å; I394-C398 WeakPolarHBondContact O-CB 3.3Å; I394-C398 PolarHBondContact O-N 2.98Å; I394-C398 PolarHBondContact O-SG 2.83Å; I394-V482 HydrophobicContact CG2-CG1 4.3Å; I394-M485 HydrophobicContact CD1-CB 4.4Å; I394-M485 HydrophobicContact CG1-CB 4.18Å; I394-M485 HydrophobicContact CG2-CE 4.07Å; I394-M485 HydrophobicContact CG2-SD 4.42Å; I394-V486 HydrophobicContact CD1-CG2 3.79Å; I394-F548 HydrophobicContact CB-CZ 4.23Å; I394-F548 HydrophobicContact CG2-CE1 4.02Å; I394-F548 HydrophobicContact CG2-CZ 3.85Å
395	A	98.7	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-38.9	175.9	0	0	0	0	0	112.7	E391 V392 V397 C398 K399 F548 K551 A552	E391-A395 WeakPolarHBondContact O-CB 3.41Å; E391-A395 PolarHBondContact O-N 2.61Å; V392-A395 PolarHBondContact O-N 2.85Å; A395-V397 VanDerWaalsContact C-N 3.35Å; A395-V397 PolarHBondContact O-N 3.13Å; A395-C398 PolarHBondContact O-N 2.83Å; A395-K399 WeakPolarHBondContact O-CB 3.47Å; A395-K399 PolarHBondContact O-N 2.98Å; A395-F548 HydrophobicContact CB-CD1 4.28Å; A395-F548 HydrophobicContact CB-CE1 3.79Å; A395-F548 HydrophobicContact CB-CZ 4.03Å; A395-F548 WeakPolarHBondContact CB-O 3.47Å; A395-K551 HydrophobicContact CB-CB 3.7Å; A395-A552 HydrophobicContact CB-CB 4.36Å
396	T	98.5	Very high	96.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-32.2	178.7	-55	0	0	0	0	112.5	V392 Q393 I394 Q400 A552 T553 V557 L558	V392-T396 VanDerWaalsContact O-CB 3.3Å; V392-T396 WeakPolarHBondContact O-CB 3.33Å; V392-T396 PolarHBondContact O-N 3.44Å; V392-T396 PolarHBondContact O-OG1 3.12Å; Q393-T396 PolarHBondContact O-N 3.22Å; I394-T396 VanDerWaalsContact C-N 3.3Å; I394-T396 PolarHBondContact O-N 3.05Å; T396-Q400 PolarHBondContact O-NE2 3.03Å; T396-A552 WeakPolarHBondContact OG1-CA 3.42Å; T396-T553 WeakPolarHBondContact CG2-O 3.25Å; T396-T553 PolarHBondContact OG1-N 3.04Å; T396-V557 HydrophobicContact CG2-CG1 3.97Å; T396-L558 HydrophobicContact CG2-CD1 4.11Å
397	V	98.5	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72	-49.9	167.8	176	0	0	0	0	111	L380 M389 Q393 I394 A395 K399 Q400 C401 I431 M485 L558	L380-V397 HydrophobicContact CD1-CG2 4.45Å; L380-V397 HydrophobicContact CD2-CG1 3.91Å; M389-V397 HydrophobicContact CE-CG2 3.82Å; Q393-V397 PolarHBondContact O-N 2.75Å; I394-V397 PolarHBondContact O-N 3.36Å; A395-V397 VanDerWaalsContact C-N 3.35Å; A395-V397 PolarHBondContact O-N 3.13Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 2.94Å; V397-Q400 PolarHBondContact O-N 2.74Å; V397-C401 PolarHBondContact O-N 3.36Å; V397-C401 PolarHBondContact O-SG 3.36Å; V397-C401 VanDerWaalsContact O-SG 3.36Å; V397-I431 HydrophobicContact CG1-CG1 4.49Å; V397-I431 HydrophobicContact CG2-CD1 4.05Å; V397-I431 HydrophobicContact CG2-CG1 4.14Å; V397-M485 HydrophobicContact CB-SD 3.98Å; V397-M485 HydrophobicContact CG1-CE 4.3Å; V397-M485 HydrophobicContact CG1-SD 3.78Å; V397-M485 HydrophobicContact CG2-SD 4.43Å; V397-L558 HydrophobicContact CG2-CD1 3.76Å; V397-L558 HydrophobicContact CG2-CD2 4.2Å
398	C	98.7	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-53.6	-45.4	-178.2	-73.9	0	0	0	0	112.3	I394 A395 C401 L402 F478 F525	I394-C398 WeakPolarHBondContact O-CB 3.3Å; I394-C398 PolarHBondContact O-N 2.98Å; I394-C398 PolarHBondContact O-SG 2.83Å; A395-C398 PolarHBondContact O-N 2.83Å; C398-C401 PolarHBondContact O-N 3.33Å; C398-L402 VanDerWaalsContact O-CB 3.3Å; C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 WeakPolarHBondContact O-CG 3.38Å; C398-L402 PolarHBondContact O-N 3.03Å; C398-F478 HydrophobicContact CB-CZ 3.86Å; C398-F525 HydrophobicContact CB-CE1 4.29Å; C398-F525 HydrophobicContact CB-CZ 4.36Å
399	K	98.7	Very high	98	Very high	85 Å²	85	23.1 Å²	23.1	37%	0.37	12%	0.115	S	C	.	.	H	α-helix	trans	-55.8	-56.4	178.7	-176.2	168.3	176.1	172.4	0	112.1	A395 V397 C401 L402 E403 L544 V549 A552	A395-K399 WeakPolarHBondContact O-CB 3.47Å; A395-K399 PolarHBondContact O-N 2.98Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 2.94Å; K399-C401 VanDerWaalsContact C-N 3.34Å; K399-C401 PolarHBondContact O-N 3.48Å; K399-L402 PolarHBondContact O-N 3.07Å; K399-L402 VanDerWaalsContact O-N 3.12Å; K399-E403 WeakPolarHBondContact CE-OE1 3.22Å; K399-E403 HydrophobicContact CG-CG 4.48Å; K399-E403 WeakPolarHBondContact CG-OE1 3.43Å; K399-E403 WeakPolarHBondContact O-CG 3.39Å; K399-E403 PolarHBondContact O-N 2.97Å; K399-L544 HydrophobicContact CG-CD2 4.42Å; K399-V549 HydrophobicContact CB-CG1 3.8Å; K399-V549 HydrophobicContact CD-CG1 4.22Å; K399-V549 HydrophobicContact CG-CG1 3.96Å; K399-A552 HydrophobicContact CB-CB 3.93Å; K399-A552 HydrophobicContact CD-CB 3.69Å; K399-A552 HydrophobicContact CG-CB 4.45Å
400	Q	98.5	Very high	98	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.07	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-36.7	-176.6	-72.4	174.8	89.6	0	0	112.7	N354 T396 V397 E403 A404 I431	N354-Q400 WeakPolarHBondContact CB-O 3.45Å; N354-Q400 WeakPolarHBondContact ND2-CB 3.18Å; N354-Q400 WeakPolarHBondContact ND2-CG 3.21Å; N354-Q400 PolarHBondContact ND2-OE1 3.18Å; T396-Q400 PolarHBondContact O-NE2 3.03Å; V397-Q400 PolarHBondContact O-N 2.74Å; Q400-E403 WeakPolarHBondContact CA-OE2 3.27Å; Q400-A404 PolarHBondContact O-N 3.12Å; Q400-I431 HydrophobicContact CB-CB 3.75Å; Q400-I431 HydrophobicContact CB-CG1 4.4Å; Q400-I431 HydrophobicContact CB-CG2 4.25Å; Q400-I431 HydrophobicContact CG-CB 4.41Å
401	C	98.6	Very high	98	Very high	7 Å²	7	30 Å²	30	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-40.8	172.6	-68.6	0	0	0	0	112.2	V397 C398 K399 A404 L405 F478	V397-C401 PolarHBondContact O-N 3.36Å; V397-C401 PolarHBondContact O-SG 3.36Å; V397-C401 VanDerWaalsContact O-SG 3.36Å; C398-C401 PolarHBondContact O-N 3.33Å; K399-C401 VanDerWaalsContact C-N 3.34Å; K399-C401 PolarHBondContact O-N 3.48Å; C401-A404 PolarHBondContact O-N 2.95Å; C401-L405 WeakPolarHBondContact O-CB 3.31Å; C401-L405 WeakPolarHBondContact O-CG 3.19Å; C401-L405 PolarHBondContact O-N 3.02Å; C401-F478 HydrophobicContact CB-CD2 4.28Å; C401-F478 HydrophobicContact CB-CE2 3.7Å
402	L	98.8	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-72.7	-32.4	178.6	-74	169.9	0	0	0	112.9	C398 K399 L405 A406 F478 F525 A540 L543 L544 V549	C398-L402 VanDerWaalsContact O-CB 3.3Å; C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 WeakPolarHBondContact O-CG 3.38Å; C398-L402 PolarHBondContact O-N 3.03Å; K399-L402 PolarHBondContact O-N 3.07Å; K399-L402 VanDerWaalsContact O-N 3.12Å; L402-L405 PolarHBondContact O-N 3.02Å; L402-A406 WeakPolarHBondContact O-CB 3.32Å; L402-A406 PolarHBondContact O-N 3.21Å; L402-F478 HydrophobicContact CD1-CE1 3.91Å; L402-F478 HydrophobicContact CD1-CZ 3.98Å; L402-F478 HydrophobicContact CD2-CD1 4Å; L402-F478 HydrophobicContact CD2-CE1 3.66Å; L402-F478 HydrophobicContact CD2-CZ 4.06Å; L402-F478 HydrophobicContact CG-CE1 3.75Å; L402-F478 HydrophobicContact CG-CE2 4.4Å; L402-F478 HydrophobicContact CG-CZ 3.68Å; L402-F525 HydrophobicContact CD1-CZ 4.07Å; L402-A540 HydrophobicContact CD2-CB 4.01Å; L402-L543 HydrophobicContact CD1-CB 3.65Å; L402-L543 HydrophobicContact CD2-CB 3.84Å; L402-L543 HydrophobicContact CD2-CD1 3.75Å; L402-L543 HydrophobicContact CD2-CG 4.46Å; L402-L543 HydrophobicContact CG-CB 4.39Å; L402-L544 HydrophobicContact CB-CD2 3.49Å; L402-L544 VanDerWaalsContact CB-CD2 3.49Å; L402-L544 HydrophobicContact CB-CG 3.83Å; L402-L544 HydrophobicContact CD1-CD2 4.44Å; L402-V549 HydrophobicContact CD1-CG2 4.24Å
403	E	98.6	Very high	97.7	Very high	59 Å²	59	26.3 Å²	26.3	28%	0.276	13%	0.128	S	C	.	.	H	α-helix	trans	-61.2	-46.1	171.3	-72.9	163.6	164.7	0	0	110.3	K399 Q400 Y407 L544	K399-E403 WeakPolarHBondContact CE-OE1 3.22Å; K399-E403 HydrophobicContact CG-CG 4.48Å; K399-E403 WeakPolarHBondContact CG-OE1 3.43Å; K399-E403 WeakPolarHBondContact O-CG 3.39Å; K399-E403 PolarHBondContact O-N 2.97Å; Q400-E403 WeakPolarHBondContact CA-OE2 3.27Å; E403-Y407 PolarHBondContact O-N 3.22Å; E403-L544 HydrophobicContact CG-CD1 4.22Å; E403-L544 HydrophobicContact CG-CD2 3.88Å
404	A	98.4	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-44.4	173.3	0	0	0	0	0	113.5	N354 I355 Q400 C401 L408 L433	N354-A404 HydrophobicContact CB-CB 4.04Å; N354-A404 WeakPolarHBondContact O-CB 3.32Å; I355-A404 HydrophobicContact CG1-CB 4.13Å; Q400-A404 PolarHBondContact O-N 3.12Å; C401-A404 PolarHBondContact O-N 2.95Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 3.29Å; A404-L433 HydrophobicContact CB-CB 4.37Å; A404-L433 HydrophobicContact CB-CD2 4.44Å
405	L	98.6	Very high	97.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-41.4	179.3	-77.5	173.2	0	0	0	112.3	C401 L402 Y407 L408 H409 I418 D474 F478 A540	C401-L405 WeakPolarHBondContact O-CB 3.31Å; C401-L405 WeakPolarHBondContact O-CG 3.19Å; C401-L405 PolarHBondContact O-N 3.02Å; L402-L405 PolarHBondContact O-N 3.02Å; L405-Y407 PolarHBondContact O-N 3.06Å; L405-L408 PolarHBondContact O-N 3.49Å; L405-H409 WeakPolarHBondContact O-CB 3.47Å; L405-H409 PolarHBondContact O-CD2 3.37Å; L405-H409 PolarHBondContact O-N 3.26Å; L405-I418 HydrophobicContact CD2-CD1 3.88Å; L405-I418 HydrophobicContact CD2-CG1 4.2Å; L405-D474 HydrophobicContact CD2-CB 3.97Å; L405-F478 HydrophobicContact CD1-CB 4.29Å; L405-F478 HydrophobicContact CD1-CD2 4.38Å; L405-F478 HydrophobicContact CD1-CG 4.34Å; L405-A540 HydrophobicContact CB-CB 3.84Å
406	A	98.5	Very high	97.4	Very high	21 Å²	21	25.8 Å²	25.8	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-45	177.7	0	0	0	0	0	111.4	L402 H409 E410 A540 A541 L544	L402-A406 WeakPolarHBondContact O-CB 3.32Å; L402-A406 PolarHBondContact O-N 3.21Å; A406-H409 PolarHBondContact O-N 3.26Å; A406-E410 WeakPolarHBondContact O-CB 3.39Å; A406-E410 PolarHBondContact O-N 2.56Å; A406-A540 HydrophobicContact CB-CB 3.97Å; A406-A541 HydrophobicContact CB-CB 4.4Å; A406-L544 HydrophobicContact CB-CD1 4.1Å
407	Y	98.2	Very high	97.2	Very high	57 Å²	57	25.8 Å²	25.8	22%	0.224	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-49.7	173.9	169.8	-111.4	0	0	0	112.3	Y350 R351 H352 I355 E403 L405 H409 E410 Q411	Y350-Y407 WeakPolarHBondContact CA-OH 3.35Å; R351-Y407 PolarHBondContact N-OH 3.5Å; R351-Y407 PolarHBondContact O-OH 3.45Å; H352-Y407 HydrophobicContact CB-CD1 3.65Å; H352-Y407 HydrophobicContact CB-CE1 3.83Å; H352-Y407 HydrophobicContact CB-CG 4.36Å; H352-Y407 AromaticContact CD2-CG 3.94Å; H352-Y407 AromaticContact CG-CD1 3.99Å; I355-Y407 HydrophobicContact CD1-CD1 3.98Å; I355-Y407 HydrophobicContact CD1-CE1 4.15Å; E403-Y407 PolarHBondContact O-N 3.22Å; L405-Y407 PolarHBondContact O-N 3.06Å; Y407-H409 PolarHBondContact O-N 3.01Å; Y407-E410 PolarHBondContact O-N 2.91Å; Y407-Q411 HydrophobicContact CE2-CG 4.37Å; Y407-Q411 WeakPolarHBondContact O-CG 3.26Å; Y407-Q411 PolarHBondContact O-N 2.81Å
408	L	97.3	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-40.9	178.9	-72.1	169.7	0	0	0	112.4	Y350 I355 A404 L405 Q411 G412 V413 L433 F436	Y350-L408 HydrophobicContact CG-CD2 4.37Å; I355-L408 HydrophobicContact CD1-CD1 3.89Å; I355-L408 HydrophobicContact CD1-CD2 3.86Å; I355-L408 HydrophobicContact CD1-CG 3.84Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 3.29Å; L405-L408 PolarHBondContact O-N 3.49Å; L408-Q411 CarbonylContact O-C 3.53Å; L408-Q411 PolarHBondContact O-N 3.28Å; L408-G412 PolarHBondContact O-N 2.68Å; L408-V413 CarbonylContact C-O 3.56Å; L408-V413 HydrophobicContact CB-CB 4.19Å; L408-V413 HydrophobicContact CD2-CB 4.08Å; L408-V413 HydrophobicContact CD2-CG1 4.09Å; L408-V413 HydrophobicContact CD2-CG2 4.48Å; L408-V413 PolarHBondContact O-N 3.44Å; L408-L433 HydrophobicContact CD1-CD2 3.73Å; L408-F436 HydrophobicContact CD1-CE1 4.01Å
409	H	97.1	Very high	97.1	Very high	27 Å²	27	26.5 Å²	26.5	13%	0.125	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-37.1	-179.3	-71.2	-172.1	0	0	0	112.4	L405 A406 Y407 Q411 G412 V413 T471 D474	L405-H409 WeakPolarHBondContact O-CB 3.47Å; L405-H409 PolarHBondContact O-CD2 3.37Å; L405-H409 PolarHBondContact O-N 3.26Å; A406-H409 PolarHBondContact O-N 3.26Å; Y407-H409 PolarHBondContact O-N 3.01Å; H409-Q411 VanDerWaalsContact C-N 3.26Å; H409-Q411 PolarHBondContact O-N 3.14Å; H409-G412 PolarHBondContact O-N 3.37Å; H409-G412 VanDerWaalsContact O-N 3.1Å; H409-V413 PolarHBondContact CD2-O 3.16Å; H409-T471 HydrophobicContact CB-CG2 3.94Å; H409-T471 PolarHBondContact CE1-O 3.45Å; H409-T471 VanDerWaalsContact CE1-O 3.27Å; H409-D474 IonicContact CD2-OD2 2.68Å; H409-D474 IonicContact CE1-OD2 2.65Å; H409-D474 IonicContact NE2-OD2 2.67Å; H409-D474 PolarHBondContact NE2-OD2 3.44Å
410	E	95.7	Very high	97	Very high	156 Å²	156	22.5 Å²	22.5	73%	0.729	11%	0.11	S	C	*	.	H	α-helix	trans	-60.4	-37.3	171.9	-175.3	-177.8	-138.9	0	0	111.7	A406 Y407 G412	A406-E410 WeakPolarHBondContact O-CB 3.39Å; A406-E410 PolarHBondContact O-N 2.56Å; Y407-E410 PolarHBondContact O-N 2.91Å; E410-G412 PolarHBondContact O-N 2.99Å
411	Q	94.5	Very high	96.8	Very high	83 Å²	83	23.6 Å²	23.6	39%	0.388	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	5.9	176.6	-56.2	-54.9	-56.4	0	0	114.1	Y350 Y407 L408 H409 V413	Y350-Q411 HydrophobicContact CD1-CB 4.02Å; Y350-Q411 HydrophobicContact CD1-CG 3.92Å; Y350-Q411 HydrophobicContact CE1-CB 3.44Å; Y350-Q411 VanDerWaalsContact CE1-CB 3.44Å; Y350-Q411 HydrophobicContact CE1-CG 3.68Å; Y407-Q411 HydrophobicContact CE2-CG 4.37Å; Y407-Q411 WeakPolarHBondContact O-CG 3.26Å; Y407-Q411 PolarHBondContact O-N 2.81Å; L408-Q411 CarbonylContact O-C 3.53Å; L408-Q411 PolarHBondContact O-N 3.28Å; H409-Q411 VanDerWaalsContact C-N 3.26Å; H409-Q411 PolarHBondContact O-N 3.14Å; Q411-V413 VanDerWaalsContact C-N 3.3Å; Q411-V413 HydrophobicContact CB-CG2 4.44Å; Q411-V413 PolarHBondContact O-N 3.08Å
412	G	93.8	Very high	96.7	Very high	14 Å²	14	23.2 Å²	23.2	14%	0.144	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	18.8	-179	0	0	0	0	0	114.5	L408 H409 E410 Q441 V442	L408-G412 PolarHBondContact O-N 2.68Å; H409-G412 PolarHBondContact O-N 3.37Å; H409-G412 VanDerWaalsContact O-N 3.1Å; E410-G412 PolarHBondContact O-N 2.99Å; G412-Q441 CarbonylContact O-C 3.55Å; G412-Q441 WeakPolarHBondContact O-CA 3.38Å; G412-V442 VanDerWaalsContact O-CG2 3.3Å; G412-V442 WeakPolarHBondContact O-CG2 3.44Å; G412-V442 PolarHBondContact O-N 2.9Å
413	V	95.3	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.1	176.7	-177.1	0	0	0	0	109.9	I346 Y350 L408 H409 Q411 C439	I346-V413 HydrophobicContact CD1-CG1 3.99Å; I346-V413 HydrophobicContact CD1-CG2 4.15Å; I346-V413 HydrophobicContact CG2-CG1 4.45Å; Y350-V413 HydrophobicContact CD2-CG2 4Å; Y350-V413 HydrophobicContact CE1-CG2 4.34Å; Y350-V413 HydrophobicContact CE2-CG2 3.5Å; L408-V413 CarbonylContact C-O 3.56Å; L408-V413 HydrophobicContact CB-CB 4.19Å; L408-V413 HydrophobicContact CD2-CB 4.08Å; L408-V413 HydrophobicContact CD2-CG1 4.09Å; L408-V413 HydrophobicContact CD2-CG2 4.48Å; L408-V413 PolarHBondContact O-N 3.44Å; H409-V413 PolarHBondContact CD2-O 3.16Å; Q411-V413 VanDerWaalsContact C-N 3.3Å; Q411-V413 HydrophobicContact CB-CG2 4.44Å; Q411-V413 PolarHBondContact O-N 3.08Å; V413-C439 HydrophobicContact CG1-CB 4.27Å
414	I	96.4	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.7	171.6	-43.4	165.5	0	0	0	108.1	R416 C439 A440 V442 R449 G470 T471 V473 D474	I414-R416 HydrophobicContact CB-CG 3.92Å; I414-R416 HydrophobicContact CG2-CG 3.38Å; I414-C439 CarbonylContact O-C 3.58Å; I414-C439 WeakPolarHBondContact O-CA 3.48Å; I414-A440 PolarHBondContact N-O 3.31Å; I414-A440 PolarHBondContact O-N 3.04Å; I414-V442 HydrophobicContact CD1-CG1 3.64Å; I414-V442 HydrophobicContact CG1-CG1 4.41Å; I414-R449 HydrophobicContact CD1-CG 4.09Å; I414-G470 VanDerWaalsContact CD1-C 3.48Å; I414-G470 WeakPolarHBondContact CD1-O 3.17Å; I414-T471 HydrophobicContact CG1-CG2 3.91Å; I414-V473 HydrophobicContact CG2-CG2 3.43Å; I414-V473 VanDerWaalsContact CG2-CG2 3.43Å; I414-D474 WeakPolarHBondContact CG2-OD2 3.38Å
415	H	96.3	Very high	96.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.11	C	C	.	.			trans	-77.5	-49	-178.8	-165.5	-103.2	0	0	0	112.9	D417 I418 S434 F436 F438 C439 D474	H415-D417 PolarHBondContact O-N 3.46Å; H415-I418 HydrophobicContact CB-CD1 3.83Å; H415-I418 HydrophobicContact CB-CG1 3.96Å; H415-I418 VanDerWaalsContact ND1-CD1 3.32Å; H415-I418 WeakPolarHBondContact ND1-CD1 3.38Å; H415-S434 PolarHBondContact CE1-O 3.18Å; H415-S434 VanDerWaalsContact CE1-O 3.26Å; H415-S434 PolarHBondContact NE2-O 2.84Å; H415-S434 VanDerWaalsContact NE2-O 3.1Å; H415-F436 AromaticContact CD2-CD1 3.64Å; H415-F436 AromaticContact CD2-CE1 3.8Å; H415-F436 AromaticContact NE2-CD1 3.76Å; H415-F436 AromaticContact NE2-CE1 3.95Å; H415-F438 CarbonylContact O-C 3.45Å; H415-C439 PolarHBondContact O-N 2.92Å; H415-D474 PolarHBondContact N-OD1 3.3Å; H415-D474 PolarHBondContact N-OD2 2.78Å
416	R	95.8	Very high	96.1	Very high	12 Å²	12	23 Å²	23	5%	0.045	12%	0.115	C	C	.	.			trans	67.2	5.2	175.7	-48.2	-173.8	-62.5	170.4	-0.4	116.9	I414 F438 C439 A440 S451 V453 G454 Y469 V473 D474	I414-R416 HydrophobicContact CB-CG 3.92Å; I414-R416 HydrophobicContact CG2-CG 3.38Å; R416-F438 PolarHBondContact NE-O 3.47Å; R416-F438 PolarHBondContact NH2-O 2.84Å; R416-C439 PolarHBondContact NH2-O 2.61Å; R416-A440 VanDerWaalsContact CZ-CB 3.44Å; R416-S451 PolarHBondContact NH1-OG 2.84Å; R416-V453 HydrophobicContact CB-CG2 4.15Å; R416-V453 VanDerWaalsContact CZ-CG2 3.48Å; R416-G454 WeakPolarHBondContact O-CA 3.39Å; R416-Y469 HydrophobicContact CG-CE2 4.47Å; R416-Y469 PolarHBondContact NH1-OH 3.18Å; R416-V473 HydrophobicContact CG-CG2 4.24Å; R416-D474 PolarHBondContact N-OD1 3.37Å
417	D	95.6	Very high	95.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	13%	0.125	C	C	.	.			trans	-142.5	39.8	172.6	-154.2	28.1	0	0	0	112.9	H415 K419 S422 F438 T455	H415-D417 PolarHBondContact O-N 3.46Å; D417-K419 VanDerWaalsContact CG-NZ 3.27Å; D417-K419 PolarHBondContact O-N 3Å; D417-K419 IonicContact OD1-NZ 2.76Å; D417-K419 PolarHBondContact OD1-NZ 2.95Å; D417-K419 VanDerWaalsContact OD2-CE 3.32Å; D417-K419 WeakPolarHBondContact OD2-CE 3.24Å; D417-K419 IonicContact OD2-NZ 3.88Å; D417-K419 PolarHBondContact OD2-NZ 3.1Å; D417-S422 PolarHBondContact O-OG 2.94Å; D417-F438 HydrophobicContact CB-CB 3.97Å; D417-F438 HydrophobicContact CB-CD2 3.71Å; D417-F438 HydrophobicContact CB-CG 4.2Å; D417-F438 WeakPolarHBondContact OD2-CD2 3.44Å; D417-F438 WeakPolarHBondContact OD2-CE2 3.33Å; D417-T455 VanDerWaalsContact OD1-CB 3.27Å; D417-T455 WeakPolarHBondContact OD1-CB 3.46Å; D417-T455 PolarHBondContact OD1-N 2.84Å; D417-T455 PolarHBondContact OD1-OG1 3.28Å
418	I	98.2	Very high	95.6	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.133	C	C	.	.			trans	-69.8	126.9	176.4	-60.3	-68.8	0	0	0	110.8	L405 H415 L433 D474 F478 M481	L405-I418 HydrophobicContact CD2-CD1 3.88Å; L405-I418 HydrophobicContact CD2-CG1 4.2Å; H415-I418 HydrophobicContact CB-CD1 3.83Å; H415-I418 HydrophobicContact CB-CG1 3.96Å; H415-I418 VanDerWaalsContact ND1-CD1 3.32Å; H415-I418 WeakPolarHBondContact ND1-CD1 3.38Å; I418-L433 HydrophobicContact CD1-CD1 3.5Å; I418-L433 VanDerWaalsContact CD1-CD1 3.5Å; I418-L433 HydrophobicContact CD1-CD2 4.06Å; I418-L433 HydrophobicContact CD1-CG 4.46Å; I418-D474 HydrophobicContact CG1-CB 4.19Å; I418-F478 HydrophobicContact CG2-CB 4.05Å; I418-M481 HydrophobicContact CG2-SD 4.08Å
419	K	97.1	Very high	95.5	Very high	14 Å²	14	25 Å²	25	6%	0.061	13%	0.133	C	C	.	.	S	Bend	trans	-174.1	167.9	-176.6	60.3	-168.3	161	-177.3	0	108.3	D417 D421 S422 T455 W458 M481	D417-K419 VanDerWaalsContact CG-NZ 3.27Å; D417-K419 PolarHBondContact O-N 3Å; D417-K419 IonicContact OD1-NZ 2.76Å; D417-K419 PolarHBondContact OD1-NZ 2.95Å; D417-K419 VanDerWaalsContact OD2-CE 3.32Å; D417-K419 WeakPolarHBondContact OD2-CE 3.24Å; D417-K419 IonicContact OD2-NZ 3.88Å; D417-K419 PolarHBondContact OD2-NZ 3.1Å; K419-D421 VanDerWaalsContact C-N 3.3Å; K419-D421 HydrophobicContact CD-CB 4.1Å; K419-D421 HydrophobicContact CG-CB 4.08Å; K419-D421 PolarHBondContact O-N 3.4Å; K419-S422 WeakPolarHBondContact CE-OG 3.26Å; K419-S422 PolarHBondContact O-N 2.99Å; K419-S422 VanDerWaalsContact O-N 3.13Å; K419-T455 PolarHBondContact NZ-OG1 2.87Å; K419-W458 HydrophobicContact CB-CD2 3.87Å; K419-W458 HydrophobicContact CB-CG 3.98Å; K419-W458 HydrophobicContact CB-CZ2 4.05Å; K419-M481 VanDerWaalsContact C-SD 3.5Å
420	S	96.3	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-51.3	-40.3	176	62.5	0	0	0	0	115.1	T381 S422 I423 E484	T381-S420 WeakPolarHBondContact CB-OG 3.49Å; T381-S420 VanDerWaalsContact CG2-OG 3.23Å; T381-S420 WeakPolarHBondContact CG2-OG 3.41Å; T381-S420 VanDerWaalsContact OG1-C 3.23Å; T381-S420 PolarHBondContact OG1-OG 3.49Å; T381-S420 VanDerWaalsContact OG1-OG 3.06Å; S420-S422 PolarHBondContact O-N 3.31Å; S420-I423 PolarHBondContact O-N 3.33Å; S420-E484 VanDerWaalsContact CB-CD 3.41Å; S420-E484 VanDerWaalsContact CB-OE1 3.28Å; S420-E484 WeakPolarHBondContact CB-OE1 3.3Å; S420-E484 WeakPolarHBondContact CB-OE2 3.49Å; S420-E484 PolarHBondContact N-OE2 3.26Å; S420-E484 PolarHBondContact OG-OE1 3Å; S420-E484 PolarHBondContact OG-OE2 3.47Å
421	D	93.6	Very high	95.5	Very high	38 Å²	38	20.4 Å²	20.4	20%	0.203	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-60.9	-29.7	-179.1	-73.8	-42.4	0	0	0	113.3	R140 T381 K419 I423	R140-D421 VanDerWaalsContact CD-CG 3.5Å; R140-D421 WeakPolarHBondContact CD-OD1 3.34Å; R140-D421 WeakPolarHBondContact CD-OD2 3.49Å; R140-D421 IonicContact CZ-OD1 2.75Å; R140-D421 VanDerWaalsContact CZ-OD1 3.29Å; R140-D421 IonicContact NE-OD1 2.92Å; R140-D421 PolarHBondContact NE-OD1 2.56Å; R140-D421 IonicContact NH1-OD1 3.98Å; R140-D421 PolarHBondContact NH1-OD1 3.17Å; T381-D421 WeakPolarHBondContact CB-OD1 3.39Å; T381-D421 WeakPolarHBondContact OG1-CA 3.35Å; T381-D421 PolarHBondContact OG1-N 3.08Å; T381-D421 PolarHBondContact OG1-OD1 2.92Å; K419-D421 VanDerWaalsContact C-N 3.3Å; K419-D421 HydrophobicContact CD-CB 4.1Å; K419-D421 HydrophobicContact CG-CB 4.08Å; K419-D421 PolarHBondContact O-N 3.4Å; D421-I423 VanDerWaalsContact C-N 3.33Å
422	S	95.8	Very high	95.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-91.9	2.3	-178	-58.7	0	0	0	0	112.5	D417 K419 S420 S434	D417-S422 PolarHBondContact O-OG 2.94Å; K419-S422 WeakPolarHBondContact CE-OG 3.26Å; K419-S422 PolarHBondContact O-N 2.99Å; K419-S422 VanDerWaalsContact O-N 3.13Å; S420-S422 PolarHBondContact O-N 3.31Å; S422-S434 PolarHBondContact O-N 3.27Å
423	I	97.4	Very high	95.9	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	174.6	-55	-51.8	0	0	0	109.2	A379 L380 S420 D421 I431 L433 M481	A379-I423 CarbonylContact C-O 3.55Å; A379-I423 WeakPolarHBondContact CA-O 3.44Å; L380-I423 HydrophobicContact CB-CB 3.92Å; L380-I423 HydrophobicContact CB-CG2 4.11Å; L380-I423 HydrophobicContact CD2-CB 4.05Å; L380-I423 HydrophobicContact CD2-CG1 4.36Å; L380-I423 HydrophobicContact CD2-CG2 4.01Å; L380-I423 PolarHBondContact N-O 3.19Å; S420-I423 PolarHBondContact O-N 3.33Å; D421-I423 VanDerWaalsContact C-N 3.33Å; I423-I431 HydrophobicContact CG2-CG2 3.4Å; I423-I431 VanDerWaalsContact CG2-CG2 3.4Å; I423-L433 HydrophobicContact CD1-CD1 3.79Å; I423-M481 HydrophobicContact CD1-SD 4.2Å; I423-M481 HydrophobicContact CG1-CE 4.06Å; I423-M481 HydrophobicContact CG1-SD 3.49Å; I423-M481 WeakPolarHBondContact CG1-SD 3.49Å
424	L	96.4	Very high	95.9	Very high	34 Å²	34	17.7 Å²	17.7	18%	0.178	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.8	-178.4	-58.1	-175.9	0	0	0	111.9	V356 L375 G378 A379 K432	V356-L424 HydrophobicContact CG2-CD1 4.16Å; L375-L424 HydrophobicContact CB-CB 4.33Å; L375-L424 HydrophobicContact CD1-CB 3.48Å; L375-L424 VanDerWaalsContact CD1-CB 3.48Å; L375-L424 HydrophobicContact CD1-CD1 4.03Å; L375-L424 HydrophobicContact CD1-CG 4.41Å; G378-L424 VanDerWaalsContact O-CA 3.3Å; G378-L424 WeakPolarHBondContact O-CA 3.45Å; A379-L424 HydrophobicContact CB-CD2 3.89Å; L424-K432 PolarHBondContact N-O 2.79Å; L424-K432 PolarHBondContact O-N 3.05Å
425	L	96	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.2	-177.8	-59.2	97.4	0	0	0	112.7	L375 G377 G378 L380 I383 K430 I431 V562	L375-L425 CarbonylContact C-O 3.53Å; L375-L425 WeakPolarHBondContact CB-O 3.11Å; G377-L425 WeakPolarHBondContact CA-O 3.38Å; G377-L425 PolarHBondContact N-O 3.38Å; G378-L425 PolarHBondContact O-N 2.95Å; L380-L425 HydrophobicContact CB-CD1 4.24Å; I383-L425 HydrophobicContact CD1-CD1 3.73Å; I383-L425 HydrophobicContact CD1-CD2 3.58Å; I383-L425 HydrophobicContact CD1-CG 4.3Å; L425-K430 WeakPolarHBondContact CA-O 3.21Å; L425-I431 HydrophobicContact CD2-CD1 3.46Å; L425-I431 VanDerWaalsContact CD2-CD1 3.46Å; L425-I431 HydrophobicContact CG-CD1 3.53Å; L425-V562 HydrophobicContact CB-CG2 4.04Å; L425-V562 HydrophobicContact CD2-CG2 3.95Å
426	D	93.7	Very high	95.3	Very high	19 Å²	19	19 Å²	19	10%	0.102	10%	0.101	C	C	.	.			trans	-80.4	170.1	167	81.7	3	0	0	0	112.3	L375 D428 G429 K430	L375-D426 HydrophobicContact CD2-CB 3.71Å; D426-D428 PolarHBondContact O-N 3.45Å; D426-D428 VanDerWaalsContact O-N 3.1Å; D426-D428 WeakPolarHBondContact OD1-CA 3.01Å; D426-D428 WeakPolarHBondContact OD1-CB 3.33Å; D426-D428 PolarHBondContact OD1-N 3.48Å; D426-G429 PolarHBondContact O-N 2.96Å; D426-G429 PolarHBondContact OD1-N 3.41Å; D426-K430 PolarHBondContact N-O 3.13Å; D426-K430 PolarHBondContact OD1-N 2.86Å; D426-K430 WeakPolarHBondContact OD2-CB 3.49Å; D426-K430 WeakPolarHBondContact OD2-CG 3.24Å; D426-K430 IonicContact OD2-NZ 3.46Å; D426-K430 PolarHBondContact OD2-NZ 3.34Å
427	A	91.9	Very high	94.8	Very high	46 Å²	46	18.6 Å²	18.6	38%	0.38	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.9	176.3	0	0	0	0	0	114.4	E376	E376-A427 HydrophobicContact CB-CB 3.97Å; E376-A427 HydrophobicContact CG-CB 4.27Å
428	D	93.7	Very high	94.4	Very high	74 Å²	74	20.5 Å²	20.5	40%	0.396	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.6	176.6	-74.2	-42.7	0	0	0	113.3	D426 K430 P555 K559	D426-D428 PolarHBondContact O-N 3.45Å; D426-D428 VanDerWaalsContact O-N 3.1Å; D426-D428 WeakPolarHBondContact OD1-CA 3.01Å; D426-D428 WeakPolarHBondContact OD1-CB 3.33Å; D426-D428 PolarHBondContact OD1-N 3.48Å; D428-K430 IonicContact OD2-NZ 3.65Å; D428-P555 CarbonylContact O-C 3.58Å; D428-K559 VanDerWaalsContact C-CG 3.42Å; D428-K559 VanDerWaalsContact CA-CE 3.45Å; D428-K559 WeakPolarHBondContact O-CE 3.23Å; D428-K559 VanDerWaalsContact O-CG 3.29Å; D428-K559 WeakPolarHBondContact O-CG 3.32Å; D428-K559 WeakPolarHBondContact OD1-CE 3.38Å; D428-K559 IonicContact OD1-NZ 3.51Å; D428-K559 PolarHBondContact OD1-NZ 3Å
429	G	94	Very high	94.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.			trans	81.1	8.8	179.3	0	0	0	0	0	114.9	D426 L558	D426-G429 PolarHBondContact O-N 2.96Å; D426-G429 PolarHBondContact OD1-N 3.41Å; G429-L558 WeakPolarHBondContact O-CD1 3.16Å
430	K	96.9	Very high	93.7	Very high	87 Å²	87	20 Å²	20	38%	0.378	11%	0.107	S	C	.	.			trans	-69.2	144	171.8	-52.5	-168.9	-153.5	82.7	0	110.1	L425 D426 D428 P555	L425-K430 WeakPolarHBondContact CA-O 3.21Å; D426-K430 PolarHBondContact N-O 3.13Å; D426-K430 PolarHBondContact OD1-N 2.86Å; D426-K430 WeakPolarHBondContact OD2-CB 3.49Å; D426-K430 WeakPolarHBondContact OD2-CG 3.24Å; D426-K430 IonicContact OD2-NZ 3.46Å; D426-K430 PolarHBondContact OD2-NZ 3.34Å; D428-K430 IonicContact OD2-NZ 3.65Å; K430-P555 HydrophobicContact CG-CB 4.17Å; K430-P555 HydrophobicContact CG-CG 4.4Å
431	I	98	Very high	93.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.1	-174.6	-61	-56.1	0	0	0	110.7	N354 V397 Q400 I423 L425 L558	N354-I431 WeakPolarHBondContact CA-O 3.49Å; N354-I431 WeakPolarHBondContact CB-O 3.42Å; N354-I431 PolarHBondContact ND2-O 3.36Å; V397-I431 HydrophobicContact CG1-CG1 4.49Å; V397-I431 HydrophobicContact CG2-CD1 4.05Å; V397-I431 HydrophobicContact CG2-CG1 4.14Å; Q400-I431 HydrophobicContact CB-CB 3.75Å; Q400-I431 HydrophobicContact CB-CG1 4.4Å; Q400-I431 HydrophobicContact CB-CG2 4.25Å; Q400-I431 HydrophobicContact CG-CB 4.41Å; I423-I431 HydrophobicContact CG2-CG2 3.4Å; I423-I431 VanDerWaalsContact CG2-CG2 3.4Å; L425-I431 HydrophobicContact CD2-CD1 3.46Å; L425-I431 VanDerWaalsContact CD2-CD1 3.46Å; L425-I431 HydrophobicContact CG-CD1 3.53Å; I431-L558 HydrophobicContact CD1-CD1 3.99Å; I431-L558 HydrophobicContact CG1-CD1 4.08Å
432	K	98	Very high	92.6	Very high	30 Å²	30	22.8 Å²	22.8	13%	0.13	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.6	175.9	-61.8	-166.9	173.1	-172	0	112.7	P353 N354 V356 E373 L375 L424	P353-K432 WeakPolarHBondContact O-CE 3.47Å; N354-K432 WeakPolarHBondContact O-CA 3.16Å; V356-K432 HydrophobicContact CG2-CB 3.99Å; E373-K432 WeakPolarHBondContact OE1-CD 3.34Å; E373-K432 WeakPolarHBondContact OE1-CE 3.44Å; E373-K432 IonicContact OE1-NZ 3.31Å; E373-K432 PolarHBondContact OE1-NZ 3.29Å; E373-K432 IonicContact OE2-NZ 2.98Å; E373-K432 PolarHBondContact OE2-NZ 3.4Å; L375-K432 HydrophobicContact CD1-CB 3.99Å; L375-K432 HydrophobicContact CD1-CD 4.13Å; L375-K432 HydrophobicContact CD1-CG 4.4Å; L375-K432 HydrophobicContact CD2-CD 4.24Å; L424-K432 PolarHBondContact N-O 2.79Å; L424-K432 PolarHBondContact O-N 3.05Å
433	L	97.6	Very high	91.8	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.2	173.5	179	61.2	0	0	0	111.2	N354 V356 A404 L408 I418 I423 F436	N354-L433 PolarHBondContact O-N 3.06Å; V356-L433 WeakPolarHBondContact CG2-O 3.32Å; V356-L433 PolarHBondContact N-O 3.27Å; A404-L433 HydrophobicContact CB-CB 4.37Å; A404-L433 HydrophobicContact CB-CD2 4.44Å; L408-L433 HydrophobicContact CD1-CD2 3.73Å; I418-L433 HydrophobicContact CD1-CD1 3.5Å; I418-L433 VanDerWaalsContact CD1-CD1 3.5Å; I418-L433 HydrophobicContact CD1-CD2 4.06Å; I418-L433 HydrophobicContact CD1-CG 4.46Å; I423-L433 HydrophobicContact CD1-CD1 3.79Å; L433-F436 HydrophobicContact CB-CZ 4.24Å; L433-F436 HydrophobicContact CD2-CE1 4.03Å; L433-F436 HydrophobicContact CD2-CZ 4.3Å; L433-F436 HydrophobicContact CG-CE1 4Å; L433-F436 HydrophobicContact CG-CZ 3.86Å; L433-F436 VanDerWaalsContact O-CE2 3.3Å; L433-F436 WeakPolarHBondContact O-CE2 3.39Å; L433-F436 VanDerWaalsContact O-CZ 3.26Å; L433-F436 WeakPolarHBondContact O-CZ 3.33Å
434	S	94.5	Very high	90.6	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.035	17%	0.17	C	C	.	.			trans	-139.4	179.3	-174.2	-164.4	0	0	0	0	111.8	H415 S422	H415-S434 PolarHBondContact CE1-O 3.18Å; H415-S434 VanDerWaalsContact CE1-O 3.26Å; H415-S434 PolarHBondContact NE2-O 2.84Å; H415-S434 VanDerWaalsContact NE2-O 3.1Å; S422-S434 PolarHBondContact O-N 3.27Å
435	D	90.4	Very high	89.7	Confident	29 Å²	29	36 Å²	36	16%	0.155	20%	0.195	C	C	.	.			trans	66.5	40.5	177.3	-74.5	-26.8	0	0	0	116.7	K327 G437	K327-D435 IonicContact NZ-OD1 2.74Å; K327-D435 PolarHBondContact NZ-OD1 3.47Å; D435-G437 PolarHBondContact O-N 3.23Å
436	F	90.5	Very high	88.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.7	-7.4	-179.9	-59.3	-78.1	0	0	0	116.3	N342 I346 M347 I355 L408 H415 L433 F438 C439	N342-F436 WeakPolarHBondContact CB-O 3.45Å; I346-F436 HydrophobicContact CB-CB 4.15Å; I346-F436 HydrophobicContact CG2-CB 4Å; I346-F436 HydrophobicContact CG2-CD1 3.62Å; I346-F436 HydrophobicContact CG2-CE1 4.39Å; I346-F436 HydrophobicContact CG2-CG 3.9Å; M347-F436 HydrophobicContact CE-CD2 4.45Å; M347-F436 HydrophobicContact CG-CB 4.39Å; M347-F436 HydrophobicContact CG-CD2 3.43Å; M347-F436 VanDerWaalsContact CG-CD2 3.43Å; M347-F436 HydrophobicContact CG-CE2 4.06Å; M347-F436 HydrophobicContact CG-CG 4.12Å; M347-F436 HydrophobicContact SD-CD2 3.91Å; I355-F436 HydrophobicContact CB-CZ 4.34Å; I355-F436 HydrophobicContact CD1-CZ 4.48Å; I355-F436 HydrophobicContact CG1-CZ 4.11Å; I355-F436 HydrophobicContact CG2-CE2 3.92Å; I355-F436 HydrophobicContact CG2-CZ 3.65Å; L408-F436 HydrophobicContact CD1-CE1 4.01Å; H415-F436 AromaticContact CD2-CD1 3.64Å; H415-F436 AromaticContact CD2-CE1 3.8Å; H415-F436 AromaticContact NE2-CD1 3.76Å; H415-F436 AromaticContact NE2-CE1 3.95Å; L433-F436 HydrophobicContact CB-CZ 4.24Å; L433-F436 HydrophobicContact CD2-CE1 4.03Å; L433-F436 HydrophobicContact CD2-CZ 4.3Å; L433-F436 HydrophobicContact CG-CE1 4Å; L433-F436 HydrophobicContact CG-CZ 3.86Å; L433-F436 VanDerWaalsContact O-CE2 3.3Å; L433-F436 WeakPolarHBondContact O-CE2 3.39Å; L433-F436 VanDerWaalsContact O-CZ 3.26Å; L433-F436 WeakPolarHBondContact O-CZ 3.33Å; F436-F438 PolarHBondContact O-N 3.49Å; F436-F438 VanDerWaalsContact O-N 3.14Å; F436-C439 WeakPolarHBondContact O-CB 3.46Å; F436-C439 PolarHBondContact O-N 3.36Å; F436-C439 PolarHBondContact O-SG 2.92Å
437	G	85.7	Confident	87.9	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-49.8	-37.1	175.4	0	0	0	0	0	114.2	L339 N342 E343 D435 C439	L339-G437 WeakPolarHBondContact CB-O 3.48Å; N342-G437 PolarHBondContact ND2-O 3.49Å; E343-G437 WeakPolarHBondContact OE2-CA 3.2Å; E343-G437 PolarHBondContact OE2-N 3.28Å; D435-G437 PolarHBondContact O-N 3.23Å; G437-C439 VanDerWaalsContact C-N 3.29Å; G437-C439 PolarHBondContact O-N 3Å
438	F	87.3	Confident	87.4	Confident	43 Å²	43	44.1 Å²	44.1	19%	0.189	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-79.6	-1.2	177.5	-74.2	-61.1	0	0	0	115.4	L339 H415 R416 D417 F436 V453	L339-F438 HydrophobicContact CD1-CD1 3.77Å; L339-F438 HydrophobicContact CD1-CE1 3.95Å; H415-F438 CarbonylContact O-C 3.45Å; R416-F438 PolarHBondContact NE-O 3.47Å; R416-F438 PolarHBondContact NH2-O 2.84Å; D417-F438 HydrophobicContact CB-CB 3.97Å; D417-F438 HydrophobicContact CB-CD2 3.71Å; D417-F438 HydrophobicContact CB-CG 4.2Å; D417-F438 WeakPolarHBondContact OD2-CD2 3.44Å; D417-F438 WeakPolarHBondContact OD2-CE2 3.33Å; F436-F438 PolarHBondContact O-N 3.49Å; F436-F438 VanDerWaalsContact O-N 3.14Å; F438-V453 HydrophobicContact CD1-CB 4.27Å
439	C	91.2	Very high	86.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.212	C	C	.	.			trans	-56.5	161	-177.8	-76.9	0	0	0	0	114.4	N342 I346 V413 I414 H415 R416 F436 G437	N342-C439 HydrophobicContact CB-CB 4.38Å; N342-C439 PolarHBondContact ND2-O 2.81Å; I346-C439 HydrophobicContact CG1-CB 4.01Å; V413-C439 HydrophobicContact CG1-CB 4.27Å; I414-C439 CarbonylContact O-C 3.58Å; I414-C439 WeakPolarHBondContact O-CA 3.48Å; H415-C439 PolarHBondContact O-N 2.92Å; R416-C439 PolarHBondContact NH2-O 2.61Å; F436-C439 WeakPolarHBondContact O-CB 3.46Å; F436-C439 PolarHBondContact O-N 3.36Å; F436-C439 PolarHBondContact O-SG 2.92Å; G437-C439 VanDerWaalsContact C-N 3.29Å; G437-C439 PolarHBondContact O-N 3Å
440	A	88.7	Confident	86.6	Confident	4 Å²	4	44 Å²	44	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.7	158.8	0	0	0	0	0	110.1	I414 R416 R449	I414-A440 PolarHBondContact N-O 3.31Å; I414-A440 PolarHBondContact O-N 3.04Å; R416-A440 VanDerWaalsContact CZ-CB 3.44Å; A440-R449 HydrophobicContact CB-CG 3.84Å
441	Q	84.8	Confident	86.2	Confident	70 Å²	70	40.2 Å²	40.2	33%	0.327	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.6	163.7	-161.6	171.3	28.3	0	0	109.7	Y350 G412 T443	Y350-Q441 PolarHBondContact OH-NE2 2.9Å; Y350-Q441 VanDerWaalsContact OH-NE2 3.09Å; G412-Q441 CarbonylContact O-C 3.55Å; G412-Q441 WeakPolarHBondContact O-CA 3.38Å; Q441-T443 HydrophobicContact CG-CG2 4.47Å
442	V	81.6	Confident	85.9	Confident	27 Å²	27	43.8 Å²	43.8	16%	0.164	23%	0.226	C	C	.	.			trans	-100.7	141.6	160.3	-70.2	0	0	0	0	109	G412 I414 L446 V447 R449	G412-V442 VanDerWaalsContact O-CG2 3.3Å; G412-V442 WeakPolarHBondContact O-CG2 3.44Å; G412-V442 PolarHBondContact O-N 2.9Å; I414-V442 HydrophobicContact CD1-CG1 3.64Å; I414-V442 HydrophobicContact CG1-CG1 4.41Å; V442-L446 WeakPolarHBondContact CA-O 3.28Å; V442-L446 WeakPolarHBondContact CB-O 3.48Å; V442-V447 WeakPolarHBondContact CB-O 3.15Å; V442-V447 VanDerWaalsContact CG1-O 3.29Å; V442-V447 WeakPolarHBondContact CG1-O 3.23Å; V442-R449 HydrophobicContact CG1-CG 4.17Å
443	T	79.1	Confident	85.4	Confident	47 Å²	47	42.9 Å²	42.9	29%	0.288	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-125.5	167.9	179.8	74.5	0	0	0	0	109.2	Q441 E445 L446 V447	Q441-T443 HydrophobicContact CG-CG2 4.47Å; T443-E445 WeakPolarHBondContact CB-OE2 3.41Å; T443-E445 PolarHBondContact O-N 3.47Å; T443-E445 VanDerWaalsContact O-N 3.09Å; T443-E445 PolarHBondContact OG1-N 2.91Å; T443-E445 PolarHBondContact OG1-OE2 2.87Å; T443-L446 PolarHBondContact N-O 3.3Å; T443-L446 CarbonylContact O-C 3.59Å; T443-L446 PolarHBondContact O-N 3.28Å; T443-L446 PolarHBondContact OG1-N 3.33Å; T443-V447 WeakPolarHBondContact O-CA 3.24Å; T443-V447 PolarHBondContact O-N 2.94Å
444	P	73.4	Confident	85	Confident	115 Å²	115	43.4 Å²	43.4	75%	0.747	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.1	175.5	-26.4	36.7	0	0	0	113.9	V447	P444-V447 VanDerWaalsContact O-CG2 3.31Å; P444-V447 WeakPolarHBondContact O-CG2 3.29Å
445	E	75.7	Confident	84.9	Confident	151 Å²	151	44.8 Å²	44.8	71%	0.706	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-22.6	176.7	-45.8	70.5	-150.3	0	0	112.9	T443	T443-E445 WeakPolarHBondContact CB-OE2 3.41Å; T443-E445 PolarHBondContact O-N 3.47Å; T443-E445 VanDerWaalsContact O-N 3.09Å; T443-E445 PolarHBondContact OG1-N 2.91Å; T443-E445 PolarHBondContact OG1-OE2 2.87Å
446	L	76.7	Confident	85.1	Confident	40 Å²	40	44.3 Å²	44.3	21%	0.209	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-133.1	57.7	-175.9	-177.1	45.5	0	0	0	110.2	L240 V442 T443 R448	L240-L446 HydrophobicContact CD1-CD1 3.54Å; L240-L446 HydrophobicContact CG-CD1 4.03Å; V442-L446 WeakPolarHBondContact CA-O 3.28Å; V442-L446 WeakPolarHBondContact CB-O 3.48Å; T443-L446 PolarHBondContact N-O 3.3Å; T443-L446 CarbonylContact O-C 3.59Å; T443-L446 PolarHBondContact O-N 3.28Å; T443-L446 PolarHBondContact OG1-N 3.33Å; L446-R448 WeakPolarHBondContact CD1-O 3.25Å; L446-R448 PolarHBondContact O-N 2.73Å; L446-R448 VanDerWaalsContact O-N 3.13Å
447	V	75.5	Confident	85.4	Confident	92 Å²	92	45.5 Å²	45.5	56%	0.558	24%	0.24	S	C	*	.			trans	-61.3	-24.5	-170.5	-172.6	0	0	0	0	113.4	V442 T443 P444	V442-V447 WeakPolarHBondContact CB-O 3.15Å; V442-V447 VanDerWaalsContact CG1-O 3.29Å; V442-V447 WeakPolarHBondContact CG1-O 3.23Å; T443-V447 WeakPolarHBondContact O-CA 3.24Å; T443-V447 PolarHBondContact O-N 2.94Å; P444-V447 VanDerWaalsContact O-CG2 3.31Å; P444-V447 WeakPolarHBondContact O-CG2 3.29Å
448	R	82.4	Confident	86	Confident	104 Å²	104	46 Å²	46	39%	0.392	24%	0.242	S	C	.	.			trans	-141.9	145.8	-177.4	-72.7	-173.7	164	152.1	-6.3	112.7	L446 P468 Y469 E472	L446-R448 WeakPolarHBondContact CD1-O 3.25Å; L446-R448 PolarHBondContact O-N 2.73Å; L446-R448 VanDerWaalsContact O-N 3.13Å; R448-P468 HydrophobicContact CB-CB 3.87Å; R448-P468 WeakPolarHBondContact CD-O 3.42Å; R448-Y469 CarbonylContact C-O 3.57Å; R448-Y469 VanDerWaalsContact CA-O 3.22Å; R448-Y469 WeakPolarHBondContact CA-O 3.42Å; R448-Y469 VanDerWaalsContact CB-O 3.29Å; R448-Y469 WeakPolarHBondContact CB-O 3.37Å; R448-E472 IonicContact CZ-OE1 3.96Å; R448-E472 IonicContact NH2-OE1 2.84Å; R448-E472 PolarHBondContact NH2-OE1 2.85Å
449	R	83.3	Confident	86.5	Confident	23 Å²	23	44.7 Å²	44.7	9%	0.087	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-99.3	162.6	176.6	-57.4	-59.4	-59.4	-151.5	5.3	110.6	I414 A440 V442 P468 Y469	I414-R449 HydrophobicContact CD1-CG 4.09Å; A440-R449 HydrophobicContact CB-CG 3.84Å; V442-R449 HydrophobicContact CG1-CG 4.17Å; R449-P468 CarbonylContact O-C 3.07Å; R449-P468 VanDerWaalsContact O-CA 3.3Å; R449-P468 WeakPolarHBondContact O-CA 3.47Å; R449-Y469 HydrophobicContact CB-CD2 4.19Å; R449-Y469 HydrophobicContact CB-CE1 4.38Å; R449-Y469 HydrophobicContact CB-CE2 3.6Å; R449-Y469 HydrophobicContact CG-CE2 4.45Å; R449-Y469 PolarHBondContact N-O 3.43Å; R449-Y469 VanDerWaalsContact O-CD1 3.29Å; R449-Y469 WeakPolarHBondContact O-CD1 3.39Å; R449-Y469 PolarHBondContact O-N 2.9Å
450	K	88	Confident	86.8	Confident	47 Å²	47	44.7 Å²	44.7	20%	0.204	24%	0.236	C	C	.	.			trans	-135.5	-5.6	178.9	-69.7	-178	177.7	-174.3	0	115.1	L240 N241 L452 P468	L240-K450 HydrophobicContact CD2-CD 3.96Å; L240-K450 HydrophobicContact CD2-CG 4.24Å; N241-K450 PolarHBondContact O-NZ 3.35Å; K450-L452 PolarHBondContact O-N 3.28Å; K450-P468 HydrophobicContact CG-CB 4.03Å
451	S	87.3	Confident	87.2	Confident	9 Å²	9	44.6 Å²	44.6	6%	0.063	24%	0.235	C	C	.	.			trans	-67.2	126.5	-177.3	56.4	0	0	0	0	110.5	R416 V453 Y469	R416-S451 PolarHBondContact NH1-OG 2.84Å; S451-V453 PolarHBondContact O-N 2.87Å; S451-V453 VanDerWaalsContact O-N 3.15Å; S451-Y469 PolarHBondContact O-OH 3.03Å; S451-Y469 PolarHBondContact OG-OH 2.76Å
452	L	91.4	Very high	87.7	Confident	75 Å²	75	41.6 Å²	41.6	39%	0.393	22%	0.221	S	C	.	.			trans	-68.9	105	169.1	-178.6	68.3	0	0	0	108.9	K450 M459 V463	K450-L452 PolarHBondContact O-N 3.28Å; L452-M459 HydrophobicContact CD1-CE 4.29Å; L452-M459 HydrophobicContact CD1-SD 3.73Å; L452-V463 HydrophobicContact CD1-CG1 4.18Å
453	V	88.8	Confident	88.4	Confident	12 Å²	12	40.6 Å²	40.6	7%	0.073	22%	0.215	C	C	.	.			trans	-148.1	167.4	-179.9	-61.7	0	0	0	0	109.9	R416 F438 S451	R416-V453 HydrophobicContact CB-CG2 4.15Å; R416-V453 VanDerWaalsContact CZ-CG2 3.48Å; F438-V453 HydrophobicContact CD1-CB 4.27Å; S451-V453 PolarHBondContact O-N 2.87Å; S451-V453 VanDerWaalsContact O-N 3.15Å
454	G	89.5	Confident	89.3	Confident	15 Å²	15	39.5 Å²	39.5	16%	0.155	21%	0.207	C	C	.	.	S	Bend	trans	100.1	-177.8	-173.8	0	0	0	0	0	113.1	R416 M459	R416-G454 WeakPolarHBondContact O-CA 3.39Å; G454-M459 WeakPolarHBondContact O-CE 3.4Å
455	T	91.9	Very high	90.3	Very high	34 Å²	34	36 Å²	36	21%	0.209	19%	0.186	C	C	.	.			trans	-93.1	123.8	-179.2	-55.9	0	0	0	0	111.3	D417 K419 Y457 W458 M459	D417-T455 VanDerWaalsContact OD1-CB 3.27Å; D417-T455 WeakPolarHBondContact OD1-CB 3.46Å; D417-T455 PolarHBondContact OD1-N 2.84Å; D417-T455 PolarHBondContact OD1-OG1 3.28Å; K419-T455 PolarHBondContact NZ-OG1 2.87Å; T455-Y457 PolarHBondContact O-N 3.49Å; T455-W458 HydrophobicContact CG2-CE3 3.47Å; T455-W458 VanDerWaalsContact CG2-CE3 3.47Å; T455-W458 HydrophobicContact CG2-CZ3 3.38Å; T455-W458 PolarHBondContact O-N 2.79Å; T455-M459 PolarHBondContact O-N 3.49Å
456	P	95.1	Very high	91.1	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.123	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-35.2	-165.9	-38.1	40.1	0	0	0	119.7	M459 P497 M501	P456-M459 HydrophobicContact CG-CE 4.29Å; P456-P497 HydrophobicContact CB-CB 3.73Å; P456-P497 HydrophobicContact CG-CB 3.9Å; P456-M501 HydrophobicContact CB-CE 3.96Å; P456-M501 HydrophobicContact CB-CG 3.88Å; P456-M501 HydrophobicContact CB-SD 3.89Å; P456-M501 HydrophobicContact CG-CE 4.06Å; P456-M501 HydrophobicContact CG-SD 4.22Å; P456-M501 WeakPolarHBondContact O-CG 3.43Å
457	Y	96.4	Very high	91.9	Very high	24 Å²	24	38.7 Å²	38.7	9%	0.094	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.2	-177.7	-54.1	-89.3	0	0	0	113.2	T455 P490 F492 F493 E495 P497 A500	T455-Y457 PolarHBondContact O-N 3.49Å; Y457-P490 HydrophobicContact CG-CG 4.45Å; Y457-F492 VanDerWaalsContact CE1-O 3.3Å; Y457-F492 WeakPolarHBondContact CE1-O 3.48Å; Y457-F493 HydrophobicContact CD2-CD2 4.31Å; Y457-F493 HydrophobicContact CE2-CD2 4.25Å; Y457-E495 PolarHBondContact OH-O 2.87Å; Y457-P497 HydrophobicContact CE2-CG 4.1Å; Y457-P497 VanDerWaalsContact OH-CD 3.32Å; Y457-P497 WeakPolarHBondContact OH-CD 2.94Å; Y457-P497 WeakPolarHBondContact OH-CG 3.33Å; Y457-A500 HydrophobicContact CD1-CB 3.55Å; Y457-A500 HydrophobicContact CE1-CB 3.54Å
458	W	98	Very high	92.7	Very high	14 Å²	14	36.5 Å²	36.5	5%	0.053	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-13	176.9	-61.4	-107.6	0	0	0	112.3	K419 T455 W476 S477 I480 E484 P490	K419-W458 HydrophobicContact CB-CD2 3.87Å; K419-W458 HydrophobicContact CB-CG 3.98Å; K419-W458 HydrophobicContact CB-CZ2 4.05Å; T455-W458 HydrophobicContact CG2-CE3 3.47Å; T455-W458 VanDerWaalsContact CG2-CE3 3.47Å; T455-W458 HydrophobicContact CG2-CZ3 3.38Å; T455-W458 PolarHBondContact O-N 2.79Å; W458-W476 VanDerWaalsContact O-CD1 3.29Å; W458-S477 WeakPolarHBondContact O-CA 3.48Å; W458-S477 PolarHBondContact O-OG 3.22Å; W458-S477 VanDerWaalsContact O-OG 3.13Å; W458-I480 HydrophobicContact CB-CG2 4.36Å; W458-I480 VanDerWaalsContact CD1-CG2 3.48Å; W458-I480 HydrophobicContact CD2-CG2 4.43Å; W458-I480 HydrophobicContact CG-CB 4.31Å; W458-I480 HydrophobicContact CG-CG2 3.83Å; W458-E484 WeakPolarHBondContact CZ2-OE1 3.23Å; W458-E484 WeakPolarHBondContact CZ2-OE2 3.39Å; W458-E484 PolarHBondContact NE1-OE2 3.41Å; W458-P490 HydrophobicContact CH2-CB 4.45Å; W458-P490 HydrophobicContact CH2-CG 3.7Å; W458-P490 HydrophobicContact CZ2-CB 4.03Å; W458-P490 HydrophobicContact CZ2-CG 3.68Å; W458-P490 HydrophobicContact CZ3-CG 4.21Å
459	M	97.2	Very high	93.3	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.079	16%	0.162	C	C	.	.			trans	-58.5	140.5	178	-71.3	-172.1	-169.2	0	0	112.5	L452 G454 T455 P456 V463 I464 W476 M501	L452-M459 HydrophobicContact CD1-CE 4.29Å; L452-M459 HydrophobicContact CD1-SD 3.73Å; G454-M459 WeakPolarHBondContact O-CE 3.4Å; T455-M459 PolarHBondContact O-N 3.49Å; P456-M459 HydrophobicContact CG-CE 4.29Å; M459-V463 HydrophobicContact CG-CG1 4.42Å; M459-V463 HydrophobicContact SD-CG1 4.21Å; M459-I464 HydrophobicContact CB-CD1 3.89Å; M459-I464 HydrophobicContact CB-CG1 3.75Å; M459-I464 HydrophobicContact SD-CG1 4.02Å; M459-W476 PolarHBondContact O-NE1 3.44Å; M459-W476 VanDerWaalsContact O-NE1 3.17Å; M459-M501 HydrophobicContact CE-SD 4.19Å; M459-M501 HydrophobicContact SD-CG 4.48Å; M459-M501 HydrophobicContact SD-SD 3.63Å; M459-M501 VanDerWaalsContact SD-SD 3.63Å
460	S	97.3	Very high	93.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	16%	0.161	C	C	.	.			trans	-79.8	154.9	175.1	69.1	0	0	0	0	113.1	E462 V463 I464 W476	S460-E462 VanDerWaalsContact C-N 3.27Å; S460-E462 WeakPolarHBondContact CB-OE1 3.5Å; S460-E462 PolarHBondContact O-N 2.94Å; S460-E462 PolarHBondContact OG-OE1 2.65Å; S460-E462 PolarHBondContact OG-OE2 2.67Å; S460-V463 PolarHBondContact O-N 3.21Å; S460-V463 VanDerWaalsContact O-N 3.14Å; S460-V463 VanDerWaalsContact OG-CG2 3.26Å; S460-V463 WeakPolarHBondContact OG-CG2 3.45Å; S460-I464 WeakPolarHBondContact O-CG1 3.24Å; S460-I464 PolarHBondContact O-N 3.13Å; S460-I464 VanDerWaalsContact O-N 3.14Å; S460-W476 VanDerWaalsContact CA-CD1 3.47Å
461	P	97.3	Very high	94.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-33.7	-175.6	20.9	-32.5	0	0	0	113.4	S465 W476 I504 R532	P461-S465 VanDerWaalsContact O-CB 3.22Å; P461-S465 WeakPolarHBondContact O-CB 3.4Å; P461-S465 PolarHBondContact O-N 3.24Å; P461-S465 PolarHBondContact O-OG 2.54Å; P461-W476 HydrophobicContact CG-CE3 4.34Å; P461-W476 HydrophobicContact CG-CH2 4.13Å; P461-W476 HydrophobicContact CG-CZ3 3.99Å; P461-I504 HydrophobicContact CB-CG2 4.38Å; P461-R532 HydrophobicContact CG-CG 4.29Å
462	E	96.7	Very high	94.8	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-35.8	177.1	67.8	-75.4	174.3	0	0	113.2	S460 S465 R466 I467 V473 P534 R537	S460-E462 VanDerWaalsContact C-N 3.27Å; S460-E462 WeakPolarHBondContact CB-OE1 3.5Å; S460-E462 PolarHBondContact O-N 2.94Å; S460-E462 PolarHBondContact OG-OE1 2.65Å; S460-E462 PolarHBondContact OG-OE2 2.67Å; E462-S465 CarbonylContact O-C 3.48Å; E462-S465 PolarHBondContact O-N 3.01Å; E462-R466 PolarHBondContact O-N 3.07Å; E462-I467 HydrophobicContact CB-CB 4.03Å; E462-I467 HydrophobicContact CB-CG2 4.22Å; E462-I467 PolarHBondContact O-N 3.38Å; E462-V473 HydrophobicContact CG-CG1 4.48Å; E462-V473 WeakPolarHBondContact OE1-CG1 3.2Å; E462-P534 HydrophobicContact CB-CG 4.25Å; E462-P534 HydrophobicContact CG-CG 3.79Å; E462-R537 IonicContact OE1-CZ 3.64Å; E462-R537 IonicContact OE1-NH1 3.59Å; E462-R537 PolarHBondContact OE1-NH1 3.33Å; E462-R537 IonicContact OE1-NH2 2.79Å; E462-R537 PolarHBondContact OE1-NH2 2.79Å; E462-R537 IonicContact OE2-CZ 2.72Å; E462-R537 IonicContact OE2-NH1 3.44Å; E462-R537 IonicContact OE2-NH2 3.52Å; E462-R537 PolarHBondContact OE2-NH2 3.1Å
463	V	96.5	Very high	95.1	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.036	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-47.1	172.8	171.1	0	0	0	0	110.1	L452 M459 S460 S465 R466 Y469 V473	L452-V463 HydrophobicContact CD1-CG1 4.18Å; M459-V463 HydrophobicContact CG-CG1 4.42Å; M459-V463 HydrophobicContact SD-CG1 4.21Å; S460-V463 PolarHBondContact O-N 3.21Å; S460-V463 VanDerWaalsContact O-N 3.14Å; S460-V463 VanDerWaalsContact OG-CG2 3.26Å; S460-V463 WeakPolarHBondContact OG-CG2 3.45Å; V463-S465 VanDerWaalsContact C-N 3.32Å; V463-S465 PolarHBondContact O-N 3.06Å; V463-R466 PolarHBondContact O-N 3.27Å; V463-R466 VanDerWaalsContact O-N 3.1Å; V463-Y469 HydrophobicContact CB-CD1 4.39Å; V463-Y469 HydrophobicContact CB-CE1 4.35Å; V463-Y469 HydrophobicContact CG1-CE1 4.39Å; V463-Y469 HydrophobicContact CG2-CD1 3.66Å; V463-Y469 HydrophobicContact CG2-CD2 4.24Å; V463-Y469 HydrophobicContact CG2-CE1 3.75Å; V463-Y469 HydrophobicContact CG2-CE2 4.33Å; V463-Y469 HydrophobicContact CG2-CG 3.93Å; V463-V473 HydrophobicContact CG2-CB 4.02Å; V463-V473 HydrophobicContact CG2-CG1 3.52Å
464	I	96.6	Very high	95.6	Very high	23 Å²	23	27.7 Å²	27.7	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-36.8	178.6	-57.8	159.4	0	0	0	110.9	M459 S460 R466 M501 I504 R505	M459-I464 HydrophobicContact CB-CD1 3.89Å; M459-I464 HydrophobicContact CB-CG1 3.75Å; M459-I464 HydrophobicContact SD-CG1 4.02Å; S460-I464 WeakPolarHBondContact O-CG1 3.24Å; S460-I464 PolarHBondContact O-N 3.13Å; S460-I464 VanDerWaalsContact O-N 3.14Å; I464-R466 PolarHBondContact O-N 3.05Å; I464-M501 HydrophobicContact CD1-CB 4.09Å; I464-M501 HydrophobicContact CD1-CG 3.93Å; I464-M501 HydrophobicContact CG1-CB 4.33Å; I464-M501 HydrophobicContact CG1-CG 4.04Å; I464-M501 HydrophobicContact CG1-SD 4.34Å; I464-M501 HydrophobicContact CG2-CB 3.94Å; I464-M501 HydrophobicContact CG2-CG 4.44Å; I464-I504 HydrophobicContact CD1-CB 3.81Å; I464-I504 HydrophobicContact CD1-CD1 4.46Å; I464-I504 HydrophobicContact CD1-CG2 3.59Å; I464-R505 HydrophobicContact CB-CB 4.3Å; I464-R505 HydrophobicContact CB-CG 4.49Å; I464-R505 HydrophobicContact CG2-CB 3.81Å; I464-R505 HydrophobicContact CG2-CG 4.09Å
465	S	94.6	Very high	96	Very high	42 Å²	42	27 Å²	27	29%	0.294	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.9	174.6	-57.2	0	0	0	0	114	P461 E462 V463 I467 R505	P461-S465 VanDerWaalsContact O-CB 3.22Å; P461-S465 WeakPolarHBondContact O-CB 3.4Å; P461-S465 PolarHBondContact O-N 3.24Å; P461-S465 PolarHBondContact O-OG 2.54Å; E462-S465 CarbonylContact O-C 3.48Å; E462-S465 PolarHBondContact O-N 3.01Å; V463-S465 VanDerWaalsContact C-N 3.32Å; V463-S465 PolarHBondContact O-N 3.06Å; S465-I467 PolarHBondContact O-N 3.33Å; S465-R505 WeakPolarHBondContact OG-CG 3.43Å
466	R	92.6	Very high	96.4	Very high	158 Å²	158	25.6 Å²	25.6	60%	0.596	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	25.2	-172.3	-52.4	-178.4	178.9	-171	-0.8	114.1	E462 V463 I464	E462-R466 PolarHBondContact O-N 3.07Å; V463-R466 PolarHBondContact O-N 3.27Å; V463-R466 VanDerWaalsContact O-N 3.1Å; I464-R466 PolarHBondContact O-N 3.05Å
467	I	93.1	Very high	96.5	Very high	89 Å²	89	25 Å²	25	46%	0.456	13%	0.125	S	C	.	.			trans	-70.3	143.5	171	-68.3	170.1	0	0	0	107.6	E462 S465 Y469	E462-I467 HydrophobicContact CB-CB 4.03Å; E462-I467 HydrophobicContact CB-CG2 4.22Å; E462-I467 PolarHBondContact O-N 3.38Å; S465-I467 PolarHBondContact O-N 3.33Å; I467-Y469 WeakPolarHBondContact O-CD1 3.3Å; I467-Y469 PolarHBondContact O-N 2.95Å
468	P	93.6	Very high	96.6	Very high	47 Å²	47	23.9 Å²	23.9	31%	0.305	12%	0.121	S	C	.	.			trans	-60	123.6	175	21.8	-30.4	0	0	0	111.4	R448 R449 K450	R448-P468 HydrophobicContact CB-CB 3.87Å; R448-P468 WeakPolarHBondContact CD-O 3.42Å; R449-P468 CarbonylContact O-C 3.07Å; R449-P468 VanDerWaalsContact O-CA 3.3Å; R449-P468 WeakPolarHBondContact O-CA 3.47Å; K450-P468 HydrophobicContact CG-CB 4.03Å
469	Y	94.8	Very high	96.7	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.012	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-125.1	155.4	-173.6	63.9	-105	0	0	0	112.2	R416 R448 R449 S451 V463 I467 V473	R416-Y469 HydrophobicContact CG-CE2 4.47Å; R416-Y469 PolarHBondContact NH1-OH 3.18Å; R448-Y469 CarbonylContact C-O 3.57Å; R448-Y469 VanDerWaalsContact CA-O 3.22Å; R448-Y469 WeakPolarHBondContact CA-O 3.42Å; R448-Y469 VanDerWaalsContact CB-O 3.29Å; R448-Y469 WeakPolarHBondContact CB-O 3.37Å; R449-Y469 HydrophobicContact CB-CD2 4.19Å; R449-Y469 HydrophobicContact CB-CE1 4.38Å; R449-Y469 HydrophobicContact CB-CE2 3.6Å; R449-Y469 HydrophobicContact CG-CE2 4.45Å; R449-Y469 PolarHBondContact N-O 3.43Å; R449-Y469 VanDerWaalsContact O-CD1 3.29Å; R449-Y469 WeakPolarHBondContact O-CD1 3.39Å; R449-Y469 PolarHBondContact O-N 2.9Å; S451-Y469 PolarHBondContact O-OH 3.03Å; S451-Y469 PolarHBondContact OG-OH 2.76Å; V463-Y469 HydrophobicContact CB-CD1 4.39Å; V463-Y469 HydrophobicContact CB-CE1 4.35Å; V463-Y469 HydrophobicContact CG1-CE1 4.39Å; V463-Y469 HydrophobicContact CG2-CD1 3.66Å; V463-Y469 HydrophobicContact CG2-CD2 4.24Å; V463-Y469 HydrophobicContact CG2-CE1 3.75Å; V463-Y469 HydrophobicContact CG2-CE2 4.33Å; V463-Y469 HydrophobicContact CG2-CG 3.93Å; I467-Y469 WeakPolarHBondContact O-CD1 3.3Å; I467-Y469 PolarHBondContact O-N 2.95Å; Y469-V473 HydrophobicContact CD2-CG1 3.45Å; Y469-V473 VanDerWaalsContact CD2-CG1 3.45Å; Y469-V473 HydrophobicContact CD2-CG2 4.29Å; Y469-V473 HydrophobicContact CE2-CG1 4.27Å; Y469-V473 HydrophobicContact CG-CG1 3.65Å
470	G	95.2	Very high	96.7	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	12%	0.115	C	C	.	.			trans	-116.9	-140.5	174.5	0	0	0	0	0	112.1	I414 E472	I414-G470 VanDerWaalsContact CD1-C 3.48Å; I414-G470 WeakPolarHBondContact CD1-O 3.17Å; G470-E472 WeakPolarHBondContact CA-OE2 3.21Å; G470-E472 PolarHBondContact N-OE2 2.78Å; G470-E472 PolarHBondContact O-N 2.78Å
471	T	96.8	Very high	96.8	Very high	37 Å²	37	22.5 Å²	22.5	23%	0.227	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16	179.1	46.7	0	0	0	0	113.9	H409 I414 V473 D474	H409-T471 HydrophobicContact CB-CG2 3.94Å; H409-T471 PolarHBondContact CE1-O 3.45Å; H409-T471 VanDerWaalsContact CE1-O 3.27Å; I414-T471 HydrophobicContact CG1-CG2 3.91Å; T471-V473 PolarHBondContact O-N 3.02Å; T471-D474 PolarHBondContact O-N 2.85Å; T471-D474 VanDerWaalsContact O-N 3.16Å
472	E	97.8	Very high	96.8	Very high	36 Å²	36	22.4 Å²	22.4	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-16.1	-176.1	-43.9	93.9	146.3	0	0	112.8	R448 G470 P534 R537	R448-E472 IonicContact CZ-OE1 3.96Å; R448-E472 IonicContact NH2-OE1 2.84Å; R448-E472 PolarHBondContact NH2-OE1 2.85Å; G470-E472 WeakPolarHBondContact CA-OE2 3.21Å; G470-E472 PolarHBondContact N-OE2 2.78Å; G470-E472 PolarHBondContact O-N 2.78Å; E472-P534 HydrophobicContact CB-CB 3.81Å; E472-P534 HydrophobicContact CG-CB 4.07Å; E472-R537 PolarHBondContact O-NH1 2.74Å
473	V	98.2	Very high	96.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-70.9	-34.2	177.5	-51.2	0	0	0	0	112.6	I414 R416 E462 V463 Y469 T471 I475 W476 S477	I414-V473 HydrophobicContact CG2-CG2 3.43Å; I414-V473 VanDerWaalsContact CG2-CG2 3.43Å; R416-V473 HydrophobicContact CG-CG2 4.24Å; E462-V473 HydrophobicContact CG-CG1 4.48Å; E462-V473 WeakPolarHBondContact OE1-CG1 3.2Å; V463-V473 HydrophobicContact CG2-CB 4.02Å; V463-V473 HydrophobicContact CG2-CG1 3.52Å; Y469-V473 HydrophobicContact CD2-CG1 3.45Å; Y469-V473 VanDerWaalsContact CD2-CG1 3.45Å; Y469-V473 HydrophobicContact CD2-CG2 4.29Å; Y469-V473 HydrophobicContact CE2-CG1 4.27Å; Y469-V473 HydrophobicContact CG-CG1 3.65Å; T471-V473 PolarHBondContact O-N 3.02Å; V473-I475 VanDerWaalsContact C-N 3.29Å; V473-W476 PolarHBondContact O-N 2.98Å; V473-S477 WeakPolarHBondContact O-CB 3.38Å; V473-S477 PolarHBondContact O-N 2.86Å; V473-S477 PolarHBondContact O-OG 2.88Å
474	D	98.6	Very high	96.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.5	-31.8	-179.4	-65.4	-30.1	0	0	0	110.3	L405 H409 I414 H415 R416 I418 T471 S477 F478	L405-D474 HydrophobicContact CD2-CB 3.97Å; H409-D474 IonicContact CD2-OD2 2.68Å; H409-D474 IonicContact CE1-OD2 2.65Å; H409-D474 IonicContact NE2-OD2 2.67Å; H409-D474 PolarHBondContact NE2-OD2 3.44Å; I414-D474 WeakPolarHBondContact CG2-OD2 3.38Å; H415-D474 PolarHBondContact N-OD1 3.3Å; H415-D474 PolarHBondContact N-OD2 2.78Å; R416-D474 PolarHBondContact N-OD1 3.37Å; I418-D474 HydrophobicContact CG1-CB 4.19Å; T471-D474 PolarHBondContact O-N 2.85Å; T471-D474 VanDerWaalsContact O-N 3.16Å; D474-S477 PolarHBondContact O-N 3.33Å; D474-F478 WeakPolarHBondContact O-CB 3.47Å; D474-F478 PolarHBondContact O-N 3.2Å
475	I	98.8	Very high	96.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-64.5	-44.2	175.7	-53.1	-56.3	0	0	0	111.2	V473 G479 M529 R537 A540 L543	V473-I475 VanDerWaalsContact C-N 3.29Å; I475-G479 PolarHBondContact O-N 2.65Å; I475-M529 HydrophobicContact CG2-CB 4.04Å; I475-M529 HydrophobicContact CG2-CG 3.98Å; I475-M529 HydrophobicContact CG2-SD 4.41Å; I475-R537 HydrophobicContact CG2-CB 4.23Å; I475-A540 HydrophobicContact CD1-CB 3.98Å; I475-L543 HydrophobicContact CD1-CD1 4.18Å; I475-L543 HydrophobicContact CG2-CD1 3.86Å
476	W	98.6	Very high	97	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-49.4	172.9	174.7	-75.7	0	0	0	110.8	W458 M459 S460 P461 V473 F478 G479 I480 I504 F510 L530	W458-W476 VanDerWaalsContact O-CD1 3.29Å; M459-W476 PolarHBondContact O-NE1 3.44Å; M459-W476 VanDerWaalsContact O-NE1 3.17Å; S460-W476 VanDerWaalsContact CA-CD1 3.47Å; P461-W476 HydrophobicContact CG-CE3 4.34Å; P461-W476 HydrophobicContact CG-CH2 4.13Å; P461-W476 HydrophobicContact CG-CZ3 3.99Å; V473-W476 PolarHBondContact O-N 2.98Å; W476-F478 VanDerWaalsContact C-N 3.3Å; W476-F478 PolarHBondContact O-N 3.27Å; W476-G479 WeakPolarHBondContact O-CA 3.46Å; W476-G479 PolarHBondContact O-N 2.65Å; W476-I480 WeakPolarHBondContact O-CG1 3.47Å; W476-I480 PolarHBondContact O-N 3.42Å; W476-I504 HydrophobicContact CZ2-CG2 3.76Å; W476-F510 HydrophobicContact CH2-CB 4.33Å; W476-F510 AromaticContact CH2-CD2 3.9Å; W476-F510 HydrophobicContact CH2-CD2 3.9Å; W476-F510 HydrophobicContact CZ2-CD2 4.01Å; W476-L530 HydrophobicContact CD2-CD2 3.87Å; W476-L530 HydrophobicContact CE3-CB 4.44Å; W476-L530 HydrophobicContact CE3-CD2 4.15Å; W476-L530 HydrophobicContact CG-CD2 4.15Å; W476-L530 HydrophobicContact CZ2-CD2 4.49Å; W476-L530 VanDerWaalsContact CZ3-C 3.47Å; W476-L530 HydrophobicContact CZ3-CB 4.28Å; W476-L530 VanDerWaalsContact CZ3-O 3.22Å; W476-L530 WeakPolarHBondContact CZ3-O 3.41Å; W476-L530 WeakPolarHBondContact O-CD2 3.38Å
477	S	98.7	Very high	97	Very high	6 Å²	6	14.3 Å²	14.3	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-39.8	-178.7	-53	0	0	0	0	111.9	W458 V473 D474 I480 M481	W458-S477 WeakPolarHBondContact O-CA 3.48Å; W458-S477 PolarHBondContact O-OG 3.22Å; W458-S477 VanDerWaalsContact O-OG 3.13Å; V473-S477 WeakPolarHBondContact O-CB 3.38Å; V473-S477 PolarHBondContact O-N 2.86Å; V473-S477 PolarHBondContact O-OG 2.88Å; D474-S477 PolarHBondContact O-N 3.33Å; S477-I480 PolarHBondContact O-N 2.9Å; S477-M481 PolarHBondContact O-N 2.89Å
478	F	98.8	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.2	-41.1	172.4	176.3	-105.9	0	0	0	112.1	C398 C401 L402 L405 I418 D474 W476 I480 M481 V482 F525 M529	C398-F478 HydrophobicContact CB-CZ 3.86Å; C401-F478 HydrophobicContact CB-CD2 4.28Å; C401-F478 HydrophobicContact CB-CE2 3.7Å; L402-F478 HydrophobicContact CD1-CE1 3.91Å; L402-F478 HydrophobicContact CD1-CZ 3.98Å; L402-F478 HydrophobicContact CD2-CD1 4Å; L402-F478 HydrophobicContact CD2-CE1 3.66Å; L402-F478 HydrophobicContact CD2-CZ 4.06Å; L402-F478 HydrophobicContact CG-CE1 3.75Å; L402-F478 HydrophobicContact CG-CE2 4.4Å; L402-F478 HydrophobicContact CG-CZ 3.68Å; L405-F478 HydrophobicContact CD1-CB 4.29Å; L405-F478 HydrophobicContact CD1-CD2 4.38Å; L405-F478 HydrophobicContact CD1-CG 4.34Å; I418-F478 HydrophobicContact CG2-CB 4.05Å; D474-F478 WeakPolarHBondContact O-CB 3.47Å; D474-F478 PolarHBondContact O-N 3.2Å; W476-F478 VanDerWaalsContact C-N 3.3Å; W476-F478 PolarHBondContact O-N 3.27Å; F478-I480 VanDerWaalsContact C-N 3.31Å; F478-I480 PolarHBondContact O-N 2.86Å; F478-M481 HydrophobicContact CD2-CE 3.6Å; F478-M481 HydrophobicContact CE2-CE 3.69Å; F478-M481 CarbonylContact O-C 3.57Å; F478-M481 WeakPolarHBondContact O-CA 3.3Å; F478-M481 WeakPolarHBondContact O-CB 3.49Å; F478-M481 PolarHBondContact O-N 2.89Å; F478-M481 VanDerWaalsContact O-N 3.08Å; F478-V482 HydrophobicContact CE1-CG2 4.25Å; F478-V482 HydrophobicContact CZ-CG2 4.17Å; F478-V482 WeakPolarHBondContact O-CG2 3.36Å; F478-V482 PolarHBondContact O-N 2.68Å; F478-F525 HydrophobicContact CE1-CE1 4.42Å; F478-F525 HydrophobicContact CE1-CZ 4.2Å; F478-M529 HydrophobicContact CD1-CE 4.06Å; F478-M529 HydrophobicContact CD1-SD 3.46Å; F478-M529 WeakPolarHBondContact CD1-SD 3.41Å; F478-M529 HydrophobicContact CE1-CE 4.05Å; F478-M529 HydrophobicContact CE1-SD 3.73Å
479	G	98.5	Very high	97	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-38.6	171.9	0	0	0	0	0	113.4	I475 W476 V482 I483	I475-G479 PolarHBondContact O-N 2.65Å; W476-G479 WeakPolarHBondContact O-CA 3.46Å; W476-G479 PolarHBondContact O-N 2.65Å; G479-V482 PolarHBondContact O-N 3Å; G479-I483 PolarHBondContact O-N 2.86Å
480	I	98.3	Very high	97.1	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-65.7	-39.3	172.4	-59.6	-62.9	0	0	0	111.3	W458 W476 S477 F478 V482 I483 E484 P490 P491 F510 L530	W458-I480 HydrophobicContact CB-CG2 4.36Å; W458-I480 VanDerWaalsContact CD1-CG2 3.48Å; W458-I480 HydrophobicContact CD2-CG2 4.43Å; W458-I480 HydrophobicContact CG-CB 4.31Å; W458-I480 HydrophobicContact CG-CG2 3.83Å; W476-I480 WeakPolarHBondContact O-CG1 3.47Å; W476-I480 PolarHBondContact O-N 3.42Å; S477-I480 PolarHBondContact O-N 2.9Å; F478-I480 VanDerWaalsContact C-N 3.31Å; F478-I480 PolarHBondContact O-N 2.86Å; I480-V482 VanDerWaalsContact C-N 3.28Å; I480-V482 PolarHBondContact O-N 2.59Å; I480-I483 WeakPolarHBondContact O-CB 3.48Å; I480-I483 PolarHBondContact O-N 3.07Å; I480-E484 PolarHBondContact O-N 2.75Å; I480-P490 HydrophobicContact CG2-CB 3.73Å; I480-P491 HydrophobicContact CD1-CG 3.96Å; I480-F510 HydrophobicContact CD1-CE2 3.97Å; I480-F510 HydrophobicContact CD1-CZ 4.35Å; I480-L530 HydrophobicContact CD1-CD1 4.09Å; I480-L530 HydrophobicContact CD1-CD2 3.76Å; I480-L530 HydrophobicContact CG1-CD2 3.97Å
481	M	98.1	Very high	97	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-28.2	174.7	-168.5	-173	82.6	0	0	113.1	I418 K419 I423 S477 F478 E484 M485	I418-M481 HydrophobicContact CG2-SD 4.08Å; K419-M481 VanDerWaalsContact C-SD 3.5Å; I423-M481 HydrophobicContact CD1-SD 4.2Å; I423-M481 HydrophobicContact CG1-CE 4.06Å; I423-M481 HydrophobicContact CG1-SD 3.49Å; I423-M481 WeakPolarHBondContact CG1-SD 3.49Å; S477-M481 PolarHBondContact O-N 2.89Å; F478-M481 HydrophobicContact CD2-CE 3.6Å; F478-M481 HydrophobicContact CE2-CE 3.69Å; F478-M481 CarbonylContact O-C 3.57Å; F478-M481 WeakPolarHBondContact O-CA 3.3Å; F478-M481 WeakPolarHBondContact O-CB 3.49Å; F478-M481 PolarHBondContact O-N 2.89Å; F478-M481 VanDerWaalsContact O-N 3.08Å; M481-E484 WeakPolarHBondContact O-CB 3.32Å; M481-E484 PolarHBondContact O-N 2.96Å; M481-M485 HydrophobicContact CE-CE 4.19Å; M481-M485 PolarHBondContact O-N 2.76Å
482	V	98.4	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-72.3	-35.1	172.3	-179.7	0	0	0	0	111.7	I394 F478 G479 I480 M485 V486 L522 F525 V526 M529	I394-V482 HydrophobicContact CG2-CG1 4.3Å; F478-V482 HydrophobicContact CE1-CG2 4.25Å; F478-V482 HydrophobicContact CZ-CG2 4.17Å; F478-V482 WeakPolarHBondContact O-CG2 3.36Å; F478-V482 PolarHBondContact O-N 2.68Å; G479-V482 PolarHBondContact O-N 3Å; I480-V482 VanDerWaalsContact C-N 3.28Å; I480-V482 PolarHBondContact O-N 2.59Å; V482-M485 HydrophobicContact CB-CE 4.33Å; V482-M485 HydrophobicContact CG2-CE 3.87Å; V482-M485 PolarHBondContact O-N 2.67Å; V482-V486 WeakPolarHBondContact O-CG2 3.04Å; V482-V486 PolarHBondContact O-N 3.37Å; V482-L522 HydrophobicContact CG1-CD1 3.75Å; V482-F525 HydrophobicContact CG2-CE1 4.41Å; V482-V526 HydrophobicContact CB-CG2 3.88Å; V482-V526 HydrophobicContact CG1-CG2 3.46Å; V482-V526 VanDerWaalsContact CG1-CG2 3.46Å; V482-M529 HydrophobicContact CG2-CE 4.17Å
483	I	97.3	Very high	96.6	Very high	12 Å²	12	16.8 Å²	16.8	6%	0.062	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-45.8	169.7	-64.1	174.8	0	0	0	110.4	G479 I480 M485 V486 D487 P491 F510 F514 V526 L530	G479-I483 PolarHBondContact O-N 2.86Å; I480-I483 WeakPolarHBondContact O-CB 3.48Å; I480-I483 PolarHBondContact O-N 3.07Å; I483-M485 VanDerWaalsContact C-N 3.29Å; I483-M485 PolarHBondContact O-N 3.12Å; I483-V486 PolarHBondContact O-N 3.03Å; I483-D487 PolarHBondContact O-N 2.71Å; I483-P491 HydrophobicContact CD1-CG 3.89Å; I483-P491 HydrophobicContact CG2-CG 4.25Å; I483-F510 HydrophobicContact CD1-CE1 3.86Å; I483-F510 HydrophobicContact CD1-CZ 3.78Å; I483-F514 HydrophobicContact CB-CE1 4.44Å; I483-F514 HydrophobicContact CG1-CE1 3.99Å; I483-V526 HydrophobicContact CD1-CG1 4.29Å; I483-V526 HydrophobicContact CG1-CG1 4.08Å; I483-L530 HydrophobicContact CD1-CD1 3.63Å
484	E	96.1	Very high	96.3	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-36.7	176.9	-179.6	178.3	-158.7	0	0	113	V384 S420 W458 I480 M481 V486 G488	V384-E484 HydrophobicContact CG2-CG 4.12Å; S420-E484 VanDerWaalsContact CB-CD 3.41Å; S420-E484 VanDerWaalsContact CB-OE1 3.28Å; S420-E484 WeakPolarHBondContact CB-OE1 3.3Å; S420-E484 WeakPolarHBondContact CB-OE2 3.49Å; S420-E484 PolarHBondContact N-OE2 3.26Å; S420-E484 PolarHBondContact OG-OE1 3Å; S420-E484 PolarHBondContact OG-OE2 3.47Å; W458-E484 WeakPolarHBondContact CZ2-OE1 3.23Å; W458-E484 WeakPolarHBondContact CZ2-OE2 3.39Å; W458-E484 PolarHBondContact NE1-OE2 3.41Å; I480-E484 PolarHBondContact O-N 2.75Å; M481-E484 WeakPolarHBondContact O-CB 3.32Å; M481-E484 PolarHBondContact O-N 2.96Å; E484-V486 VanDerWaalsContact C-N 3.31Å; E484-V486 PolarHBondContact O-N 3.42Å; E484-G488 VanDerWaalsContact O-CA 3.24Å; E484-G488 WeakPolarHBondContact O-CA 3.41Å; E484-G488 PolarHBondContact O-N 2.94Å
485	M	97.4	Very high	95.9	Very high	5 Å²	5	23 Å²	23	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-69.4	-21	173.7	-76.2	-172.7	-74.4	0	0	114.9	L380 V384 M389 I394 V397 M481 V482 I483	L380-M485 HydrophobicContact CD2-CG 4.12Å; L380-M485 HydrophobicContact CD2-SD 3.92Å; V384-M485 HydrophobicContact CG1-CB 4.27Å; V384-M485 HydrophobicContact CG1-CG 3.82Å; M389-M485 HydrophobicContact SD-CG 4.25Å; M389-M485 HydrophobicContact SD-SD 4.36Å; I394-M485 HydrophobicContact CD1-CB 4.4Å; I394-M485 HydrophobicContact CG1-CB 4.18Å; I394-M485 HydrophobicContact CG2-CE 4.07Å; I394-M485 HydrophobicContact CG2-SD 4.42Å; V397-M485 HydrophobicContact CB-SD 3.98Å; V397-M485 HydrophobicContact CG1-CE 4.3Å; V397-M485 HydrophobicContact CG1-SD 3.78Å; V397-M485 HydrophobicContact CG2-SD 4.43Å; M481-M485 HydrophobicContact CE-CE 4.19Å; M481-M485 PolarHBondContact O-N 2.76Å; V482-M485 HydrophobicContact CB-CE 4.33Å; V482-M485 HydrophobicContact CG2-CE 3.87Å; V482-M485 PolarHBondContact O-N 2.67Å; I483-M485 VanDerWaalsContact C-N 3.29Å; I483-M485 PolarHBondContact O-N 3.12Å
486	V	97	Very high	95.7	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-94.5	-45.1	-179.9	175.7	0	0	0	0	111.6	I394 V482 I483 E484 F514 A516 V518 L522	I394-V486 HydrophobicContact CD1-CG2 3.79Å; V482-V486 WeakPolarHBondContact O-CG2 3.04Å; V482-V486 PolarHBondContact O-N 3.37Å; I483-V486 PolarHBondContact O-N 3.03Å; E484-V486 VanDerWaalsContact C-N 3.31Å; E484-V486 PolarHBondContact O-N 3.42Å; V486-F514 HydrophobicContact CB-CD1 3.66Å; V486-F514 HydrophobicContact CB-CE1 3.85Å; V486-F514 HydrophobicContact CG1-CB 4.08Å; V486-F514 HydrophobicContact CG1-CD1 3.46Å; V486-F514 VanDerWaalsContact CG1-CD1 3.46Å; V486-F514 HydrophobicContact CG1-CE1 4.07Å; V486-F514 HydrophobicContact CG1-CG 3.99Å; V486-F514 HydrophobicContact CG2-CD1 4.06Å; V486-F514 HydrophobicContact CG2-CE1 3.77Å; V486-A516 HydrophobicContact CG1-CB 3.82Å; V486-V518 HydrophobicContact CG1-CG1 3.65Å; V486-V518 HydrophobicContact CG2-CG1 4.26Å; V486-L522 HydrophobicContact CG2-CD2 4.02Å
487	D	94	Very high	95.4	Very high	29 Å²	29	26 Å²	26	16%	0.155	14%	0.137	C	C	.	.	H	α-helix	trans	-105.5	-10.6	-170.8	-68.3	-35.9	0	0	0	114.2	I483 E489 F514 H515 A516	I483-D487 PolarHBondContact O-N 2.71Å; D487-E489 VanDerWaalsContact C-N 3.3Å; D487-E489 PolarHBondContact O-N 3.34Å; D487-F514 VanDerWaalsContact OD2-CA 3.26Å; D487-F514 WeakPolarHBondContact OD2-CA 3.49Å; D487-H515 VanDerWaalsContact CG-N 3.3Å; D487-H515 WeakPolarHBondContact OD1-CA 3.49Å; D487-H515 VanDerWaalsContact OD1-CB 3.29Å; D487-H515 WeakPolarHBondContact OD1-CB 3.37Å; D487-H515 IonicContact OD1-CG 2.75Å; D487-H515 PolarHBondContact OD1-N 3.45Å; D487-H515 PolarHBondContact OD2-N 3.04Å; D487-A516 PolarHBondContact OD1-N 2.83Å
488	G	92.9	Very high	95.2	Very high	24 Å²	24	31.5 Å²	31.5	25%	0.247	17%	0.165	C	C	.	.	S	Bend	trans	83.9	-9.1	177.6	0	0	0	0	0	115.4	E484	E484-G488 VanDerWaalsContact O-CA 3.24Å; E484-G488 WeakPolarHBondContact O-CA 3.41Å; E484-G488 PolarHBondContact O-N 2.94Å
489	E	93.7	Very high	95.1	Very high	68 Å²	68	34.1 Å²	34.1	32%	0.318	18%	0.178	S	C	.	.	S	Bend	trans	-142.9	153.2	173.9	62.8	173.2	-150.7	0	0	111.3	D487 F493	D487-E489 VanDerWaalsContact C-N 3.3Å; D487-E489 PolarHBondContact O-N 3.34Å; E489-F493 HydrophobicContact CB-CB 4.09Å; E489-F493 HydrophobicContact CB-CD1 3.88Å; E489-F493 HydrophobicContact CB-CG 4.17Å; E489-F493 HydrophobicContact CG-CB 4.4Å; E489-F493 WeakPolarHBondContact OE2-CD1 2.93Å
490	P	95.2	Very high	94.9	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.026	18%	0.178	C	C	.	.			trans	-74.7	164.1	174.4	33.2	-38.2	0	0	0	112	Y457 W458 I480 F492 F493	Y457-P490 HydrophobicContact CG-CG 4.45Å; W458-P490 HydrophobicContact CH2-CB 4.45Å; W458-P490 HydrophobicContact CH2-CG 3.7Å; W458-P490 HydrophobicContact CZ2-CB 4.03Å; W458-P490 HydrophobicContact CZ2-CG 3.68Å; W458-P490 HydrophobicContact CZ3-CG 4.21Å; I480-P490 HydrophobicContact CG2-CB 3.73Å; P490-F492 PolarHBondContact O-N 2.86Å; P490-F493 HydrophobicContact CG-CB 4.04Å; P490-F493 HydrophobicContact CG-CD2 3.75Å; P490-F493 HydrophobicContact CG-CG 4.14Å; P490-F493 VanDerWaalsContact O-CB 3.32Å; P490-F493 WeakPolarHBondContact O-CB 2.96Å; P490-F493 PolarHBondContact O-N 2.9Å
491	P	93.8	Very high	94.8	Very high	23 Å²	23	35.1 Å²	35.1	15%	0.149	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.4	174.4	-24.4	35.2	0	0	0	112.9	I480 I483 F493 F510	I480-P491 HydrophobicContact CD1-CG 3.96Å; I483-P491 HydrophobicContact CD1-CG 3.89Å; I483-P491 HydrophobicContact CG2-CG 4.25Å; P491-F493 PolarHBondContact O-N 3.33Å; P491-F510 HydrophobicContact CB-CE2 4.38Å; P491-F510 HydrophobicContact CB-CZ 4.15Å; P491-F510 HydrophobicContact CG-CE2 4.13Å; P491-F510 HydrophobicContact CG-CZ 3.66Å
492	F	93.6	Very high	94.7	Very high	48 Å²	48	42.2 Å²	42.2	21%	0.211	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	14.7	-179.9	-39.5	-68.4	0	0	0	115.5	Y457 P490 N494 E495 A500 R503 I504 M507	Y457-F492 VanDerWaalsContact CE1-O 3.3Å; Y457-F492 WeakPolarHBondContact CE1-O 3.48Å; P490-F492 PolarHBondContact O-N 2.86Å; F492-N494 PolarHBondContact O-N 2.89Å; F492-E495 WeakPolarHBondContact CD1-OE1 2.89Å; F492-E495 WeakPolarHBondContact O-CB 2.85Å; F492-E495 PolarHBondContact O-N 2.84Å; F492-A500 HydrophobicContact CB-CB 3.77Å; F492-R503 HydrophobicContact CE1-CB 4.35Å; F492-R503 HydrophobicContact CE2-CB 4.27Å; F492-R503 HydrophobicContact CZ-CB 4.16Å; F492-I504 HydrophobicContact CD2-CD1 4.46Å; F492-I504 HydrophobicContact CD2-CG1 4.08Å; F492-I504 HydrophobicContact CE2-CG1 3.92Å; F492-M507 HydrophobicContact CE2-CE 4.49Å
493	F	92.6	Very high	94.5	Very high	103 Å²	103	48.4 Å²	48.4	45%	0.452	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.9	-179.7	-166.6	-119.2	0	0	0	113.9	Y457 E489 P490 P491 E495	Y457-F493 HydrophobicContact CD2-CD2 4.31Å; Y457-F493 HydrophobicContact CE2-CD2 4.25Å; E489-F493 HydrophobicContact CB-CB 4.09Å; E489-F493 HydrophobicContact CB-CD1 3.88Å; E489-F493 HydrophobicContact CB-CG 4.17Å; E489-F493 HydrophobicContact CG-CB 4.4Å; E489-F493 WeakPolarHBondContact OE2-CD1 2.93Å; P490-F493 HydrophobicContact CG-CB 4.04Å; P490-F493 HydrophobicContact CG-CD2 3.75Å; P490-F493 HydrophobicContact CG-CG 4.14Å; P490-F493 VanDerWaalsContact O-CB 3.32Å; P490-F493 WeakPolarHBondContact O-CB 2.96Å; P490-F493 PolarHBondContact O-N 2.9Å; P491-F493 PolarHBondContact O-N 3.33Å; F493-E495 PolarHBondContact O-N 2.96Å
494	N	91.4	Very high	94.4	Very high	101 Å²	101	48 Å²	48	54%	0.54	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.1	175.7	64.6	12.7	0	0	0	115.1	K93 F492	K93-N494 PolarHBondContact NZ-O 2.98Å; F492-N494 PolarHBondContact O-N 2.89Å
495	E	91.3	Very high	94.4	Very high	31 Å²	31	52 Å²	52	15%	0.145	25%	0.245	C	C	.	.	S	Bend	trans	-104.9	168.5	176.2	-63.2	-178.7	-123.4	0	0	112.4	Y457 F492 F493 R503	Y457-E495 PolarHBondContact OH-O 2.87Å; F492-E495 WeakPolarHBondContact CD1-OE1 2.89Å; F492-E495 WeakPolarHBondContact O-CB 2.85Å; F492-E495 PolarHBondContact O-N 2.84Å; F493-E495 PolarHBondContact O-N 2.96Å; E495-R503 VanDerWaalsContact CD-NE 3.32Å; E495-R503 IonicContact OE1-CZ 3.35Å; E495-R503 IonicContact OE1-NE 3.08Å; E495-R503 PolarHBondContact OE1-NE 2.68Å; E495-R503 IonicContact OE1-NH1 2.85Å; E495-R503 PolarHBondContact OE1-NH1 3.19Å; E495-R503 IonicContact OE1-NH2 3.78Å; E495-R503 PolarHBondContact OE1-NH2 2.84Å; E495-R503 IonicContact OE2-CZ 2.7Å; E495-R503 IonicContact OE2-NE 2.72Å; E495-R503 PolarHBondContact OE2-NE 3.46Å; E495-R503 IonicContact OE2-NH2 3.82Å; E495-R503 PolarHBondContact OE2-NH2 3.38Å
496	L	93.6	Very high	94.2	Very high	53 Å²	53	56.3 Å²	56.3	28%	0.277	27%	0.268	S	S	.	.			trans	-75.5	150.9	175.4	-84.1	-124.5	0	0	0	112.6	Y146 L498 E499 A500	Y146-L496 HydrophobicContact CD2-CB 4.27Å; Y146-L496 HydrophobicContact CD2-CD1 3.55Å; Y146-L496 HydrophobicContact CD2-CD2 4.5Å; Y146-L496 HydrophobicContact CD2-CG 3.46Å; Y146-L496 VanDerWaalsContact CD2-CG 3.46Å; Y146-L496 HydrophobicContact CE2-CB 4.14Å; Y146-L496 HydrophobicContact CE2-CD1 4.26Å; Y146-L496 HydrophobicContact CE2-CG 3.77Å; Y146-L496 HydrophobicContact CG-CD1 4.46Å; Y146-L496 HydrophobicContact CG-CG 4.48Å; L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.29Å; L496-L498 VanDerWaalsContact O-N 3.13Å; L496-E499 HydrophobicContact CB-CG 4.43Å; L496-E499 WeakPolarHBondContact O-CA 3.29Å; L496-E499 WeakPolarHBondContact O-CB 3.36Å; L496-E499 PolarHBondContact O-N 2.84Å; L496-A500 PolarHBondContact O-N 2.78Å
497	P	92.6	Very high	93.9	Very high	15 Å²	15	57.8 Å²	57.8	10%	0.097	28%	0.275	C	S	.	.	H	α-helix	trans	-54.2	-38.1	-177.3	-29.5	35.7	0	0	0	114.9	P456 Y457 E499 M501	P456-P497 HydrophobicContact CB-CB 3.73Å; P456-P497 HydrophobicContact CG-CB 3.9Å; Y457-P497 HydrophobicContact CE2-CG 4.1Å; Y457-P497 VanDerWaalsContact OH-CD 3.32Å; Y457-P497 WeakPolarHBondContact OH-CD 2.94Å; Y457-P497 WeakPolarHBondContact OH-CG 3.33Å; P497-E499 VanDerWaalsContact C-N 3.28Å; P497-E499 PolarHBondContact O-N 2.95Å; P497-M501 VanDerWaalsContact O-CB 3.31Å; P497-M501 WeakPolarHBondContact O-CB 3.36Å; P497-M501 VanDerWaalsContact O-CE 3.3Å; P497-M501 WeakPolarHBondContact O-CE 3.34Å; P497-M501 WeakPolarHBondContact O-CG 3.45Å; P497-M501 PolarHBondContact O-N 3.04Å
498	L	94.3	Very high	93.7	Very high	122 Å²	122	64.3 Å²	64.3	64%	0.639	31%	0.305	S	S	*	.	H	α-helix	trans	-71.3	-20.9	177.4	-69.2	173.7	0	0	0	113.5	L496 M501 R502	L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.29Å; L496-L498 VanDerWaalsContact O-N 3.13Å; L498-M501 HydrophobicContact CD2-CE 3.92Å; L498-R502 WeakPolarHBondContact O-CD 3.47Å; L498-R502 WeakPolarHBondContact O-CG 3.44Å; L498-R502 PolarHBondContact O-N 2.83Å
499	E	95.9	Very high	93.5	Very high	56 Å²	56	67.7 Å²	67.7	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-91.9	-44.8	179.5	-61.9	-179.1	136	0	0	110.5	Y146 L496 P497 M501 R502 R503	Y146-E499 WeakPolarHBondContact CE2-OE1 3.41Å; Y146-E499 WeakPolarHBondContact CE2-OE2 3.19Å; Y146-E499 PolarHBondContact OH-OE1 2.88Å; Y146-E499 PolarHBondContact OH-OE2 2.66Å; Y146-E499 VanDerWaalsContact OH-OE2 3.05Å; L496-E499 HydrophobicContact CB-CG 4.43Å; L496-E499 WeakPolarHBondContact O-CA 3.29Å; L496-E499 WeakPolarHBondContact O-CB 3.36Å; L496-E499 PolarHBondContact O-N 2.84Å; P497-E499 VanDerWaalsContact C-N 3.28Å; P497-E499 PolarHBondContact O-N 2.95Å; E499-M501 VanDerWaalsContact C-N 3.34Å; E499-M501 PolarHBondContact O-N 3.17Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.76Å; E499-R503 PolarHBondContact O-N 3.13Å
500	A	94.6	Very high	93.3	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-53.5	-49.3	168.5	0	0	0	0	0	111.3	Y457 F492 L496 R502 R503 I504	Y457-A500 HydrophobicContact CD1-CB 3.55Å; Y457-A500 HydrophobicContact CE1-CB 3.54Å; F492-A500 HydrophobicContact CB-CB 3.77Å; L496-A500 PolarHBondContact O-N 2.78Å; A500-R502 VanDerWaalsContact C-N 3.33Å; A500-R502 PolarHBondContact O-N 2.9Å; A500-R503 PolarHBondContact O-N 3.24Å; A500-R503 VanDerWaalsContact O-N 3.17Å; A500-I504 VanDerWaalsContact O-CG1 3.32Å; A500-I504 WeakPolarHBondContact O-CG1 2.96Å; A500-I504 PolarHBondContact O-N 3.19Å
501	M	96.2	Very high	92.9	Very high	22 Å²	22	73.9 Å²	73.9	11%	0.108	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-37.7	174.9	-79.7	-172.6	-67.9	0	0	113.1	P456 M459 I464 P497 L498 E499 R505	P456-M501 HydrophobicContact CB-CE 3.96Å; P456-M501 HydrophobicContact CB-CG 3.88Å; P456-M501 HydrophobicContact CB-SD 3.89Å; P456-M501 HydrophobicContact CG-CE 4.06Å; P456-M501 HydrophobicContact CG-SD 4.22Å; P456-M501 WeakPolarHBondContact O-CG 3.43Å; M459-M501 HydrophobicContact CE-SD 4.19Å; M459-M501 HydrophobicContact SD-CG 4.48Å; M459-M501 HydrophobicContact SD-SD 3.63Å; M459-M501 VanDerWaalsContact SD-SD 3.63Å; I464-M501 HydrophobicContact CD1-CB 4.09Å; I464-M501 HydrophobicContact CD1-CG 3.93Å; I464-M501 HydrophobicContact CG1-CB 4.33Å; I464-M501 HydrophobicContact CG1-CG 4.04Å; I464-M501 HydrophobicContact CG1-SD 4.34Å; I464-M501 HydrophobicContact CG2-CB 3.94Å; I464-M501 HydrophobicContact CG2-CG 4.44Å; P497-M501 VanDerWaalsContact O-CB 3.31Å; P497-M501 WeakPolarHBondContact O-CB 3.36Å; P497-M501 VanDerWaalsContact O-CE 3.3Å; P497-M501 WeakPolarHBondContact O-CE 3.34Å; P497-M501 WeakPolarHBondContact O-CG 3.45Å; P497-M501 PolarHBondContact O-N 3.04Å; L498-M501 HydrophobicContact CD2-CE 3.92Å; E499-M501 VanDerWaalsContact C-N 3.34Å; E499-M501 PolarHBondContact O-N 3.17Å; M501-R505 WeakPolarHBondContact O-CB 3.29Å; M501-R505 PolarHBondContact O-N 2.84Å
502	R	96.2	Very high	92.7	Very high	150 Å²	150	73.7 Å²	73.7	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-63.9	-46	174.2	-76.9	167.2	-175.6	-174.4	-0.1	111.1	L498 E499 A500 R505 D506	L498-R502 WeakPolarHBondContact O-CD 3.47Å; L498-R502 WeakPolarHBondContact O-CG 3.44Å; L498-R502 PolarHBondContact O-N 2.83Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.76Å; A500-R502 VanDerWaalsContact C-N 3.33Å; A500-R502 PolarHBondContact O-N 2.9Å; R502-R505 PolarHBondContact O-N 2.89Å; R502-D506 VanDerWaalsContact O-CB 3.27Å; R502-D506 WeakPolarHBondContact O-CB 3.3Å; R502-D506 PolarHBondContact O-N 3.01Å
503	R	95.4	Very high	92.4	Very high	130 Å²	130	77.9 Å²	77.9	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-48.5	176.5	-67.7	-165.8	-169	-160.8	11.3	112	F492 E495 E499 A500 R505 D506 M507	F492-R503 HydrophobicContact CE1-CB 4.35Å; F492-R503 HydrophobicContact CE2-CB 4.27Å; F492-R503 HydrophobicContact CZ-CB 4.16Å; E495-R503 VanDerWaalsContact CD-NE 3.32Å; E495-R503 IonicContact OE1-CZ 3.35Å; E495-R503 IonicContact OE1-NE 3.08Å; E495-R503 PolarHBondContact OE1-NE 2.68Å; E495-R503 IonicContact OE1-NH1 2.85Å; E495-R503 PolarHBondContact OE1-NH1 3.19Å; E495-R503 IonicContact OE1-NH2 3.78Å; E495-R503 PolarHBondContact OE1-NH2 2.84Å; E495-R503 IonicContact OE2-CZ 2.7Å; E495-R503 IonicContact OE2-NE 2.72Å; E495-R503 PolarHBondContact OE2-NE 3.46Å; E495-R503 IonicContact OE2-NH2 3.82Å; E495-R503 PolarHBondContact OE2-NH2 3.38Å; E499-R503 PolarHBondContact O-N 3.13Å; A500-R503 PolarHBondContact O-N 3.24Å; A500-R503 VanDerWaalsContact O-N 3.17Å; R503-R505 VanDerWaalsContact C-N 3.31Å; R503-R505 PolarHBondContact O-N 2.8Å; R503-D506 PolarHBondContact O-N 2.99Å; R503-M507 WeakPolarHBondContact O-CB 3.33Å; R503-M507 PolarHBondContact O-N 3.25Å
504	I	95.6	Very high	92.4	Very high	3 Å²	3	74.1 Å²	74.1	2%	0.015	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-45.3	177	-64.9	161.9	0	0	0	110.6	P461 I464 W476 F492 A500	P461-I504 HydrophobicContact CB-CG2 4.38Å; I464-I504 HydrophobicContact CD1-CB 3.81Å; I464-I504 HydrophobicContact CD1-CD1 4.46Å; I464-I504 HydrophobicContact CD1-CG2 3.59Å; W476-I504 HydrophobicContact CZ2-CG2 3.76Å; F492-I504 HydrophobicContact CD2-CD1 4.46Å; F492-I504 HydrophobicContact CD2-CG1 4.08Å; F492-I504 HydrophobicContact CE2-CG1 3.92Å; A500-I504 VanDerWaalsContact O-CG1 3.32Å; A500-I504 WeakPolarHBondContact O-CG1 2.96Å; A500-I504 PolarHBondContact O-N 3.19Å
505	R	95	Very high	92.3	Very high	91 Å²	91	75.9 Å²	75.9	34%	0.343	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-38.7	178.9	-168.6	-161.5	63.9	-174.9	-5.5	113.2	I464 S465 M501 R502 R503 R532	I464-R505 HydrophobicContact CB-CB 4.3Å; I464-R505 HydrophobicContact CB-CG 4.49Å; I464-R505 HydrophobicContact CG2-CB 3.81Å; I464-R505 HydrophobicContact CG2-CG 4.09Å; S465-R505 WeakPolarHBondContact OG-CG 3.43Å; M501-R505 WeakPolarHBondContact O-CB 3.29Å; M501-R505 PolarHBondContact O-N 2.84Å; R502-R505 PolarHBondContact O-N 2.89Å; R503-R505 VanDerWaalsContact C-N 3.31Å; R503-R505 PolarHBondContact O-N 2.8Å; R505-R532 VanDerWaalsContact O-CZ 3.24Å; R505-R532 PolarHBondContact O-NH1 3.19Å; R505-R532 PolarHBondContact O-NH2 2.99Å
506	D	94.1	Very high	92.1	Very high	96 Å²	96	75.2 Å²	75.2	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-96.9	-12.8	-169.6	-60.6	-21	0	0	0	113.5	R502 R503	R502-D506 VanDerWaalsContact O-CB 3.27Å; R502-D506 WeakPolarHBondContact O-CB 3.3Å; R502-D506 PolarHBondContact O-N 3.01Å; R503-D506 PolarHBondContact O-N 2.99Å
507	M	90.9	Very high	92	Very high	45 Å²	45	82.8 Å²	82.8	22%	0.222	39%	0.388	C	S	.	.			trans	-71.5	123.7	176.8	172.6	168.8	60.5	0	0	112.8	F492 R503 T509 F510 R532	F492-M507 HydrophobicContact CE2-CE 4.49Å; R503-M507 WeakPolarHBondContact O-CB 3.33Å; R503-M507 PolarHBondContact O-N 3.25Å; M507-T509 WeakPolarHBondContact CG-O 3.4Å; M507-T509 VanDerWaalsContact SD-O 3.42Å; M507-F510 HydrophobicContact CE-CB 4.16Å; M507-F510 HydrophobicContact CE-CD2 3.41Å; M507-F510 VanDerWaalsContact CE-CD2 3.41Å; M507-F510 HydrophobicContact CE-CE2 4.06Å; M507-F510 HydrophobicContact CE-CG 4.09Å; M507-F510 HydrophobicContact SD-CD2 4.41Å; M507-R532 PolarHBondContact O-NH1 3.27Å
508	E	89	Confident	92.2	Very high	166 Å²	166	83.5 Å²	83.5	78%	0.776	39%	0.391	S	S	*	.	S	Bend	trans	-69.4	-45.1	177.5	-64.5	-175.3	126.5	0	0	113	R532	E508-R532 WeakPolarHBondContact O-CD 3.16Å
509	T	88.2	Confident	92.3	Very high	94 Å²	94	79.2 Å²	79.2	58%	0.577	37%	0.372	S	S	*	.	S	Bend	trans	-130.8	126.9	-178	50.6	0	0	0	0	110.3	M507 K511	M507-T509 WeakPolarHBondContact CG-O 3.4Å; M507-T509 VanDerWaalsContact SD-O 3.42Å; T509-K511 PolarHBondContact O-N 3.31Å
510	F	89.9	Confident	92.4	Very high	33 Å²	33	82.9 Å²	82.9	15%	0.145	39%	0.393	C	S	.	.			trans	-74.9	122.2	168.1	-164.5	-70	0	0	0	108	W476 I480 I483 P491 M507 V512 L530	W476-F510 HydrophobicContact CH2-CB 4.33Å; W476-F510 AromaticContact CH2-CD2 3.9Å; W476-F510 HydrophobicContact CH2-CD2 3.9Å; W476-F510 HydrophobicContact CZ2-CD2 4.01Å; I480-F510 HydrophobicContact CD1-CE2 3.97Å; I480-F510 HydrophobicContact CD1-CZ 4.35Å; I483-F510 HydrophobicContact CD1-CE1 3.86Å; I483-F510 HydrophobicContact CD1-CZ 3.78Å; P491-F510 HydrophobicContact CB-CE2 4.38Å; P491-F510 HydrophobicContact CB-CZ 4.15Å; P491-F510 HydrophobicContact CG-CE2 4.13Å; P491-F510 HydrophobicContact CG-CZ 3.66Å; M507-F510 HydrophobicContact CE-CB 4.16Å; M507-F510 HydrophobicContact CE-CD2 3.41Å; M507-F510 VanDerWaalsContact CE-CD2 3.41Å; M507-F510 HydrophobicContact CE-CE2 4.06Å; M507-F510 HydrophobicContact CE-CG 4.09Å; M507-F510 HydrophobicContact SD-CD2 4.41Å; F510-V512 HydrophobicContact CD1-CG2 3.87Å; F510-V512 HydrophobicContact CE1-CG2 3.97Å; F510-L530 HydrophobicContact CB-CB 3.89Å; F510-L530 WeakPolarHBondContact CB-O 3.09Å; F510-L530 HydrophobicContact CD1-CB 4.02Å; F510-L530 HydrophobicContact CD1-CD1 3.61Å; F510-L530 HydrophobicContact CD1-CG 4.47Å; F510-L530 HydrophobicContact CD2-CB 4.24Å; F510-L530 HydrophobicContact CD2-CD1 4.09Å; F510-L530 HydrophobicContact CE1-CD1 3.52Å; F510-L530 HydrophobicContact CE2-CD1 4.01Å; F510-L530 HydrophobicContact CG-CB 3.77Å; F510-L530 HydrophobicContact CG-CD1 3.94Å; F510-L530 HydrophobicContact CG-CG 4.46Å; F510-L530 HydrophobicContact CZ-CD1 3.75Å
511	K	86.8	Confident	92.5	Very high	170 Å²	170	85.9 Å²	85.9	74%	0.739	41%	0.408	S	S	*	.			trans	-102.6	113.6	171.2	-68.2	-170.6	176.7	-173.7	0	108.9	T509 N513	T509-K511 PolarHBondContact O-N 3.31Å; K511-N513 PolarHBondContact O-N 2.9Å
512	V	88.8	Confident	92.6	Very high	19 Å²	19	84.9 Å²	84.9	12%	0.115	40%	0.403	C	S	.	.			trans	-73.3	123.7	175.9	-178.4	0	0	0	0	108.2	F510 F514 V526 E527 L530	F510-V512 HydrophobicContact CD1-CG2 3.87Å; F510-V512 HydrophobicContact CE1-CG2 3.97Å; V512-F514 HydrophobicContact CG1-CD2 3.74Å; V512-F514 HydrophobicContact CG1-CE1 4.28Å; V512-F514 HydrophobicContact CG1-CE2 3.27Å; V512-F514 HydrophobicContact CG1-CG 4.42Å; V512-F514 HydrophobicContact CG1-CZ 3.6Å; V512-V526 HydrophobicContact CG1-CG1 4.35Å; V512-V526 HydrophobicContact CG2-CB 4.4Å; V512-V526 HydrophobicContact CG2-CG1 3.84Å; V512-E527 HydrophobicContact CB-CG 3.99Å; V512-E527 HydrophobicContact CG2-CG 3.6Å; V512-L530 HydrophobicContact CG2-CD1 4.23Å
513	N	88.2	Confident	92.6	Very high	136 Å²	136	80 Å²	80	73%	0.727	39%	0.388	S	S	*	.			trans	-146.4	85.8	179.8	179.4	74.2	0	0	0	109	K511	K511-N513 PolarHBondContact O-N 2.9Å
514	F	92.5	Very high	92.7	Very high	23 Å²	23	75.9 Å²	75.9	10%	0.101	38%	0.382	C	S	.	.			trans	-65.9	147.8	-179.8	-59.5	-82.2	0	0	0	111.6	I483 V486 D487 V512 A516 V518 L522 I523 V526	I483-F514 HydrophobicContact CB-CE1 4.44Å; I483-F514 HydrophobicContact CG1-CE1 3.99Å; V486-F514 HydrophobicContact CB-CD1 3.66Å; V486-F514 HydrophobicContact CB-CE1 3.85Å; V486-F514 HydrophobicContact CG1-CB 4.08Å; V486-F514 HydrophobicContact CG1-CD1 3.46Å; V486-F514 VanDerWaalsContact CG1-CD1 3.46Å; V486-F514 HydrophobicContact CG1-CE1 4.07Å; V486-F514 HydrophobicContact CG1-CG 3.99Å; V486-F514 HydrophobicContact CG2-CD1 4.06Å; V486-F514 HydrophobicContact CG2-CE1 3.77Å; D487-F514 VanDerWaalsContact OD2-CA 3.26Å; D487-F514 WeakPolarHBondContact OD2-CA 3.49Å; V512-F514 HydrophobicContact CG1-CD2 3.74Å; V512-F514 HydrophobicContact CG1-CE1 4.28Å; V512-F514 HydrophobicContact CG1-CE2 3.27Å; V512-F514 HydrophobicContact CG1-CG 4.42Å; V512-F514 HydrophobicContact CG1-CZ 3.6Å; F514-A516 VanDerWaalsContact C-N 3.33Å; F514-A516 WeakPolarHBondContact CB-O 3.48Å; F514-V518 HydrophobicContact CD2-CG1 4.37Å; F514-V518 HydrophobicContact CD2-CG2 3.39Å; F514-V518 HydrophobicContact CE2-CG2 3.68Å; F514-V518 HydrophobicContact CG-CG1 4.38Å; F514-V518 HydrophobicContact CG-CG2 4.13Å; F514-L522 HydrophobicContact CZ-CG 4.39Å; F514-I523 HydrophobicContact CD2-CG1 4.24Å; F514-I523 HydrophobicContact CE2-CG1 3.96Å; F514-V526 HydrophobicContact CZ-CB 4.48Å; F514-V526 HydrophobicContact CZ-CG2 4.15Å
515	H	88.9	Confident	92.8	Very high	139 Å²	139	75.8 Å²	75.8	64%	0.644	38%	0.381	S	S	*	.	S	Bend	trans	-76.3	-23.2	169.7	-55.2	139.6	0	0	0	112	D487	D487-H515 VanDerWaalsContact CG-N 3.3Å; D487-H515 WeakPolarHBondContact OD1-CA 3.49Å; D487-H515 VanDerWaalsContact OD1-CB 3.29Å; D487-H515 WeakPolarHBondContact OD1-CB 3.37Å; D487-H515 IonicContact OD1-CG 2.75Å; D487-H515 PolarHBondContact OD1-N 3.45Å; D487-H515 PolarHBondContact OD2-N 3.04Å
516	A	87.4	Confident	93	Very high	17 Å²	17	71.4 Å²	71.4	14%	0.14	37%	0.365	C	S	.	.	S	Bend	trans	-93.5	150.8	171.3	0	0	0	0	0	112.7	V486 D487 F514 V518	V486-A516 HydrophobicContact CG1-CB 3.82Å; D487-A516 PolarHBondContact OD1-N 2.83Å; F514-A516 VanDerWaalsContact C-N 3.33Å; F514-A516 WeakPolarHBondContact CB-O 3.48Å; A516-V518 PolarHBondContact O-N 3.45Å
517	K	92.2	Very high	93.1	Very high	212 Å²	212	71.3 Å²	71.3	92%	0.922	36%	0.361	S	S	*	.			trans	-73.4	117	167.1	-176.5	-178.9	178.9	-178.6	0	109.6
518	V	95.8	Very high	93.4	Very high	29 Å²	29	71.9 Å²	71.9	18%	0.176	36%	0.363	C	S	.	.			trans	-113.7	176.9	173.8	-65.2	0	0	0	0	111	V486 F514 A516 L522 I523	V486-V518 HydrophobicContact CG1-CG1 3.65Å; V486-V518 HydrophobicContact CG2-CG1 4.26Å; F514-V518 HydrophobicContact CD2-CG1 4.37Å; F514-V518 HydrophobicContact CD2-CG2 3.39Å; F514-V518 HydrophobicContact CE2-CG2 3.68Å; F514-V518 HydrophobicContact CG-CG1 4.38Å; F514-V518 HydrophobicContact CG-CG2 4.13Å; A516-V518 PolarHBondContact O-N 3.45Å; V518-L522 HydrophobicContact CB-CB 4.4Å; V518-L522 HydrophobicContact CB-CD2 4.03Å; V518-L522 HydrophobicContact CB-CG 4.42Å; V518-L522 HydrophobicContact CG1-CD2 3.83Å; V518-I523 HydrophobicContact CG2-CD1 4.1Å; V518-I523 HydrophobicContact CG2-CG1 3.65Å
519	S	97.1	Very high	93.8	Very high	32 Å²	32	64 Å²	64	22%	0.224	33%	0.326	C	S	.	.			trans	-82.2	151.3	169.6	66.9	0	0	0	0	112.6	E391 M521 L522 I523	E391-S519 VanDerWaalsContact OE1-CB 3.27Å; E391-S519 WeakPolarHBondContact OE1-CB 3.5Å; E391-S519 PolarHBondContact OE1-N 2.98Å; E391-S519 PolarHBondContact OE1-OG 2.83Å; E391-S519 PolarHBondContact OE2-OG 2.75Å; S519-M521 PolarHBondContact O-N 2.85Å; S519-M521 VanDerWaalsContact O-N 3.11Å; S519-L522 PolarHBondContact O-N 2.89Å; S519-I523 PolarHBondContact O-N 3.1Å; S519-I523 VanDerWaalsContact O-N 3.15Å
520	D	96.7	Very high	94.3	Very high	134 Å²	134	59.7 Å²	59.7	72%	0.717	30%	0.3	S	S	*	.	H	α-helix	trans	-58	-27.3	176.7	-48.5	-52.6	0	0	0	112.3	I523 A524	D520-I523 PolarHBondContact O-N 3.03Å; D520-A524 WeakPolarHBondContact O-CB 3.45Å; D520-A524 PolarHBondContact O-N 3.07Å
521	M	97.7	Very high	94.6	Very high	63 Å²	63	60.1 Å²	60.1	31%	0.31	31%	0.305	S	S	.	.	H	α-helix	trans	-70.9	-30.6	175.7	-175.4	163.1	67	0	0	113.3	S519 F525 P547 F548 K551	S519-M521 PolarHBondContact O-N 2.85Å; S519-M521 VanDerWaalsContact O-N 3.11Å; M521-F525 VanDerWaalsContact O-CB 3.26Å; M521-F525 WeakPolarHBondContact O-CB 3.21Å; M521-F525 PolarHBondContact O-N 2.96Å; M521-P547 HydrophobicContact SD-CB 3.71Å; M521-F548 HydrophobicContact CG-CB 4.16Å; M521-K551 HydrophobicContact CE-CD 4.02Å; M521-K551 HydrophobicContact CE-CG 4.44Å
522	L	97.9	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-76.5	-36.9	171	177.9	49.5	0	0	0	110.9	E391 V482 V486 F514 V518 S519 F525 V526 F548	E391-L522 HydrophobicContact CG-CD2 4Å; V482-L522 HydrophobicContact CG1-CD1 3.75Å; V486-L522 HydrophobicContact CG2-CD2 4.02Å; F514-L522 HydrophobicContact CZ-CG 4.39Å; V518-L522 HydrophobicContact CB-CB 4.4Å; V518-L522 HydrophobicContact CB-CD2 4.03Å; V518-L522 HydrophobicContact CB-CG 4.42Å; V518-L522 HydrophobicContact CG1-CD2 3.83Å; S519-L522 PolarHBondContact O-N 2.89Å; L522-F525 HydrophobicContact CD1-CD1 4.19Å; L522-F525 PolarHBondContact O-N 3.17Å; L522-V526 HydrophobicContact CD1-CG2 4.13Å; L522-V526 PolarHBondContact O-N 2.77Å; L522-V526 VanDerWaalsContact O-N 3.14Å; L522-F548 HydrophobicContact CB-CD2 3.99Å; L522-F548 HydrophobicContact CB-CE2 3.78Å; L522-F548 HydrophobicContact CD1-CD1 4.47Å; L522-F548 HydrophobicContact CD1-CD2 4.22Å; L522-F548 HydrophobicContact CD1-CE1 4.04Å; L522-F548 HydrophobicContact CD1-CE2 3.77Å; L522-F548 HydrophobicContact CD1-CZ 3.69Å; L522-F548 HydrophobicContact CD2-CE2 4.08Å; L522-F548 HydrophobicContact CD2-CZ 4.22Å; L522-F548 HydrophobicContact CG-CE2 4.08Å; L522-F548 HydrophobicContact CG-CZ 4.37Å
523	I	97.3	Very high	95.3	Very high	48 Å²	48	59.7 Å²	59.7	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-55.6	172.2	-59.5	173.3	0	0	0	109.8	F514 V518 S519 D520 F525 V526 E527	F514-I523 HydrophobicContact CD2-CG1 4.24Å; F514-I523 HydrophobicContact CE2-CG1 3.96Å; V518-I523 HydrophobicContact CG2-CD1 4.1Å; V518-I523 HydrophobicContact CG2-CG1 3.65Å; S519-I523 PolarHBondContact O-N 3.1Å; S519-I523 VanDerWaalsContact O-N 3.15Å; D520-I523 PolarHBondContact O-N 3.03Å; I523-F525 VanDerWaalsContact C-N 3.28Å; I523-F525 PolarHBondContact O-N 3Å; I523-V526 PolarHBondContact O-N 3.41Å; I523-V526 VanDerWaalsContact O-N 3.08Å; I523-E527 HydrophobicContact CG2-CG 4.13Å; I523-E527 WeakPolarHBondContact O-CG 3.2Å; I523-E527 PolarHBondContact O-N 2.81Å
524	A	96.6	Very high	95.7	Very high	44 Å²	44	54.2 Å²	54.2	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-37.2	177.8	0	0	0	0	0	113	D520 V526 Q528	D520-A524 WeakPolarHBondContact O-CB 3.45Å; D520-A524 PolarHBondContact O-N 3.07Å; A524-V526 VanDerWaalsContact C-N 3.3Å; A524-V526 PolarHBondContact O-N 2.81Å; A524-Q528 PolarHBondContact O-N 2.93Å
525	F	98.1	Very high	95.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-37.6	176.4	-179.2	-119.9	0	0	0	112.7	C398 L402 F478 V482 M521 L522 I523 Q528 M529 L543 H546 F548 V549	C398-F525 HydrophobicContact CB-CE1 4.29Å; C398-F525 HydrophobicContact CB-CZ 4.36Å; L402-F525 HydrophobicContact CD1-CZ 4.07Å; F478-F525 HydrophobicContact CE1-CE1 4.42Å; F478-F525 HydrophobicContact CE1-CZ 4.2Å; V482-F525 HydrophobicContact CG2-CE1 4.41Å; M521-F525 VanDerWaalsContact O-CB 3.26Å; M521-F525 WeakPolarHBondContact O-CB 3.21Å; M521-F525 PolarHBondContact O-N 2.96Å; L522-F525 HydrophobicContact CD1-CD1 4.19Å; L522-F525 PolarHBondContact O-N 3.17Å; I523-F525 VanDerWaalsContact C-N 3.28Å; I523-F525 PolarHBondContact O-N 3Å; F525-Q528 VanDerWaalsContact O-CG 3.22Å; F525-Q528 WeakPolarHBondContact O-CG 3.45Å; F525-Q528 PolarHBondContact O-NE2 3.17Å; F525-M529 HydrophobicContact CD1-CE 4.02Å; F525-M529 HydrophobicContact CE1-CE 3.9Å; F525-M529 HydrophobicContact CG-CE 4.49Å; F525-M529 HydrophobicContact CZ-CE 4.3Å; F525-M529 WeakPolarHBondContact O-CE 3.37Å; F525-L543 HydrophobicContact CD2-CD2 4.15Å; F525-L543 HydrophobicContact CE2-CB 4.38Å; F525-L543 HydrophobicContact CE2-CD2 3.75Å; F525-H546 HydrophobicContact CD2-CB 3.97Å; F525-H546 AromaticContact CD2-CE1 3.92Å; F525-H546 AromaticContact CD2-CG 3.64Å; F525-H546 AromaticContact CD2-ND1 3.24Å; F525-H546 WeakPolarHBondContact CD2-ND1 3.4Å; F525-H546 HydrophobicContact CE2-CB 4.09Å; F525-H546 AromaticContact CG-ND1 3.85Å; F525-F548 HydrophobicContact CB-CB 3.94Å; F525-F548 HydrophobicContact CB-CD1 4.49Å; F525-F548 HydrophobicContact CB-CG 4.19Å; F525-F548 HydrophobicContact CD1-CB 4.33Å; F525-F548 AromaticContact CD1-CD1 3.45Å; F525-F548 HydrophobicContact CD1-CD1 3.45Å; F525-F548 VanDerWaalsContact CD1-CD1 3.45Å; F525-F548 HydrophobicContact CD1-CE1 4.05Å; F525-F548 HydrophobicContact CD1-CG 4Å; F525-F548 HydrophobicContact CD2-CB 4.11Å; F525-F548 HydrophobicContact CD2-CD1 4.46Å; F525-F548 AromaticContact CE1-CD1 3.63Å; F525-F548 HydrophobicContact CE1-CD1 3.63Å; F525-F548 HydrophobicContact CE1-CE1 4.1Å; F525-F548 HydrophobicContact CG-CB 3.88Å; F525-F548 AromaticContact CG-CD1 3.9Å; F525-F548 HydrophobicContact CG-CD1 3.9Å; F525-F548 HydrophobicContact CG-CG 4.04Å; F525-F548 HydrophobicContact CZ-CD1 4.18Å; F525-V549 HydrophobicContact CE2-CG2 3.85Å; F525-V549 HydrophobicContact CZ-CG2 3.93Å
526	V	98.1	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-85.2	-38.2	-179.7	177.7	0	0	0	0	112.4	V482 I483 V512 F514 L522 I523 A524 Q528 M529 L530	V482-V526 HydrophobicContact CB-CG2 3.88Å; V482-V526 HydrophobicContact CG1-CG2 3.46Å; V482-V526 VanDerWaalsContact CG1-CG2 3.46Å; I483-V526 HydrophobicContact CD1-CG1 4.29Å; I483-V526 HydrophobicContact CG1-CG1 4.08Å; V512-V526 HydrophobicContact CG1-CG1 4.35Å; V512-V526 HydrophobicContact CG2-CB 4.4Å; V512-V526 HydrophobicContact CG2-CG1 3.84Å; F514-V526 HydrophobicContact CZ-CB 4.48Å; F514-V526 HydrophobicContact CZ-CG2 4.15Å; L522-V526 HydrophobicContact CD1-CG2 4.13Å; L522-V526 PolarHBondContact O-N 2.77Å; L522-V526 VanDerWaalsContact O-N 3.14Å; I523-V526 PolarHBondContact O-N 3.41Å; I523-V526 VanDerWaalsContact O-N 3.08Å; A524-V526 VanDerWaalsContact C-N 3.3Å; A524-V526 PolarHBondContact O-N 2.81Å; V526-Q528 VanDerWaalsContact C-N 3.33Å; V526-Q528 PolarHBondContact O-N 2.97Å; V526-M529 HydrophobicContact CB-CE 4.47Å; V526-M529 HydrophobicContact CG2-CE 4.14Å; V526-M529 WeakPolarHBondContact O-CB 3.36Å; V526-M529 PolarHBondContact O-N 3.07Å; V526-L530 HydrophobicContact CG1-CD1 3.67Å; V526-L530 HydrophobicContact CG1-CG 4.13Å; V526-L530 PolarHBondContact O-N 3.07Å; V526-L530 VanDerWaalsContact O-N 3.15Å
527	E	96.9	Very high	96.7	Very high	93 Å²	93	61 Å²	61	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-39.5	-178.5	-76.1	-172	141.1	0	0	113	V512 I523 M529 L530 V531	V512-E527 HydrophobicContact CB-CG 3.99Å; V512-E527 HydrophobicContact CG2-CG 3.6Å; I523-E527 HydrophobicContact CG2-CG 4.13Å; I523-E527 WeakPolarHBondContact O-CG 3.2Å; I523-E527 PolarHBondContact O-N 2.81Å; E527-M529 PolarHBondContact O-N 2.95Å; E527-L530 PolarHBondContact O-N 3.21Å; E527-V531 WeakPolarHBondContact O-CG2 3.29Å
528	Q	97	Very high	97	Very high	58 Å²	58	51.4 Å²	51.4	27%	0.271	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.1	174.6	63.9	-178.6	-18.3	0	0	113.7	A524 F525 V526 V531 P538 L543 H546	A524-Q528 PolarHBondContact O-N 2.93Å; F525-Q528 VanDerWaalsContact O-CG 3.22Å; F525-Q528 WeakPolarHBondContact O-CG 3.45Å; F525-Q528 PolarHBondContact O-NE2 3.17Å; V526-Q528 VanDerWaalsContact C-N 3.33Å; V526-Q528 PolarHBondContact O-N 2.97Å; Q528-V531 WeakPolarHBondContact O-CG2 3.47Å; Q528-P538 HydrophobicContact CB-CG 4.35Å; Q528-P538 HydrophobicContact CG-CG 4.02Å; Q528-P538 WeakPolarHBondContact O-CD 3.48Å; Q528-L543 HydrophobicContact CG-CD2 4.3Å; Q528-L543 VanDerWaalsContact NE2-CD2 3.32Å; Q528-H546 PolarHBondContact NE2-CD2 3.12Å
529	M	98.3	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-34	180	-60	-167.8	-75.4	0	0	112	I475 F478 V482 F525 V526 E527 V531 R537 L543	I475-M529 HydrophobicContact CG2-CB 4.04Å; I475-M529 HydrophobicContact CG2-CG 3.98Å; I475-M529 HydrophobicContact CG2-SD 4.41Å; F478-M529 HydrophobicContact CD1-CE 4.06Å; F478-M529 HydrophobicContact CD1-SD 3.46Å; F478-M529 WeakPolarHBondContact CD1-SD 3.41Å; F478-M529 HydrophobicContact CE1-CE 4.05Å; F478-M529 HydrophobicContact CE1-SD 3.73Å; V482-M529 HydrophobicContact CG2-CE 4.17Å; F525-M529 HydrophobicContact CD1-CE 4.02Å; F525-M529 HydrophobicContact CE1-CE 3.9Å; F525-M529 HydrophobicContact CG-CE 4.49Å; F525-M529 HydrophobicContact CZ-CE 4.3Å; F525-M529 WeakPolarHBondContact O-CE 3.37Å; V526-M529 HydrophobicContact CB-CE 4.47Å; V526-M529 HydrophobicContact CG2-CE 4.14Å; V526-M529 WeakPolarHBondContact O-CB 3.36Å; V526-M529 PolarHBondContact O-N 3.07Å; E527-M529 PolarHBondContact O-N 2.95Å; M529-V531 PolarHBondContact O-N 3.16Å; M529-R537 WeakPolarHBondContact O-CD 3.27Å; M529-L543 HydrophobicContact CG-CD1 3.99Å; M529-L543 HydrophobicContact CG-CD2 3.84Å; M529-L543 HydrophobicContact SD-CD1 3.54Å; M529-L543 VanDerWaalsContact SD-CD1 3.54Å; M529-L543 HydrophobicContact SD-CD2 3.86Å; M529-L543 HydrophobicContact SD-CG 4.37Å
530	L	97.8	Very high	97.2	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-90.5	30	-177.8	-57.7	-177.7	0	0	0	113.1	W476 I480 I483 F510 V512 V526 E527	W476-L530 HydrophobicContact CD2-CD2 3.87Å; W476-L530 HydrophobicContact CE3-CB 4.44Å; W476-L530 HydrophobicContact CE3-CD2 4.15Å; W476-L530 HydrophobicContact CG-CD2 4.15Å; W476-L530 HydrophobicContact CZ2-CD2 4.49Å; W476-L530 VanDerWaalsContact CZ3-C 3.47Å; W476-L530 HydrophobicContact CZ3-CB 4.28Å; W476-L530 VanDerWaalsContact CZ3-O 3.22Å; W476-L530 WeakPolarHBondContact CZ3-O 3.41Å; W476-L530 WeakPolarHBondContact O-CD2 3.38Å; I480-L530 HydrophobicContact CD1-CD1 4.09Å; I480-L530 HydrophobicContact CD1-CD2 3.76Å; I480-L530 HydrophobicContact CG1-CD2 3.97Å; I483-L530 HydrophobicContact CD1-CD1 3.63Å; F510-L530 HydrophobicContact CB-CB 3.89Å; F510-L530 WeakPolarHBondContact CB-O 3.09Å; F510-L530 HydrophobicContact CD1-CB 4.02Å; F510-L530 HydrophobicContact CD1-CD1 3.61Å; F510-L530 HydrophobicContact CD1-CG 4.47Å; F510-L530 HydrophobicContact CD2-CB 4.24Å; F510-L530 HydrophobicContact CD2-CD1 4.09Å; F510-L530 HydrophobicContact CE1-CD1 3.52Å; F510-L530 HydrophobicContact CE2-CD1 4.01Å; F510-L530 HydrophobicContact CG-CB 3.77Å; F510-L530 HydrophobicContact CG-CD1 3.94Å; F510-L530 HydrophobicContact CG-CG 4.46Å; F510-L530 HydrophobicContact CZ-CD1 3.75Å; V512-L530 HydrophobicContact CG2-CD1 4.23Å; V526-L530 HydrophobicContact CG1-CD1 3.67Å; V526-L530 HydrophobicContact CG1-CG 4.13Å; V526-L530 PolarHBondContact O-N 3.07Å; V526-L530 VanDerWaalsContact O-N 3.15Å; E527-L530 PolarHBondContact O-N 3.21Å
531	V	96.6	Very high	97.3	Very high	42 Å²	42	48.2 Å²	48.2	26%	0.255	24%	0.243	S	C	.	.			trans	-76	132.9	174	-178.7	0	0	0	0	110.3	E527 Q528 M529 Q533 R536 R537	E527-V531 WeakPolarHBondContact O-CG2 3.29Å; Q528-V531 WeakPolarHBondContact O-CG2 3.47Å; M529-V531 PolarHBondContact O-N 3.16Å; V531-Q533 PolarHBondContact O-N 3.27Å; V531-R536 HydrophobicContact CG1-CB 3.79Å; V531-R537 HydrophobicContact CB-CG 4.23Å; V531-R537 PolarHBondContact O-NE 2.91Å; V531-R537 PolarHBondContact O-NH2 2.77Å; V531-R537 VanDerWaalsContact O-NH2 3.07Å
532	R	95	Very high	97.3	Very high	94 Å²	94	50.7 Å²	50.7	36%	0.355	26%	0.255	S	S	.	.	S	Bend	trans	-63	-38.4	-177.8	-175.6	178.4	178.2	79.1	6.2	113.5	P461 R505 M507 E508 P534 R537	P461-R532 HydrophobicContact CG-CG 4.29Å; R505-R532 VanDerWaalsContact O-CZ 3.24Å; R505-R532 PolarHBondContact O-NH1 3.19Å; R505-R532 PolarHBondContact O-NH2 2.99Å; M507-R532 PolarHBondContact O-NH1 3.27Å; E508-R532 WeakPolarHBondContact O-CD 3.16Å; R532-P534 WeakPolarHBondContact O-CD 3.35Å; R532-R537 PolarHBondContact O-NH2 2.85Å
533	Q	95.2	Very high	97.3	Very high	85 Å²	85	50.8 Å²	50.8	40%	0.397	26%	0.255	S	S	.	.	S	Bend	trans	-81.3	113.4	177.7	-79.2	176.3	15.4	0	0	110	V531 E535 R536	V531-Q533 PolarHBondContact O-N 3.27Å; Q533-E535 VanDerWaalsContact C-N 3.29Å; Q533-E535 WeakPolarHBondContact CB-OE1 3.34Å; Q533-E535 PolarHBondContact O-N 2.88Å; Q533-R536 HydrophobicContact CB-CB 4.4Å; Q533-R536 HydrophobicContact CB-CG 4.06Å; Q533-R536 PolarHBondContact O-N 2.88Å; Q533-R536 VanDerWaalsContact O-N 3.08Å
534	P	96.1	Very high	97.4	Very high	21 Å²	21	50.2 Å²	50.2	14%	0.136	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.1	-41.1	-175.7	-26.3	35.9	0	0	0	113.2	E462 E472 R532 R536 R537	E462-P534 HydrophobicContact CB-CG 4.25Å; E462-P534 HydrophobicContact CG-CG 3.79Å; E472-P534 HydrophobicContact CB-CB 3.81Å; E472-P534 HydrophobicContact CG-CB 4.07Å; R532-P534 WeakPolarHBondContact O-CD 3.35Å; P534-R536 PolarHBondContact O-N 3.46Å; P534-R537 WeakPolarHBondContact O-CB 3.33Å; P534-R537 PolarHBondContact O-N 2.76Å
535	E	95.6	Very high	97.4	Very high	130 Å²	130	55.5 Å²	55.5	61%	0.607	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-65.3	-5.5	178.8	66.3	-79.4	178.4	0	0	114.9	Q533	Q533-E535 VanDerWaalsContact C-N 3.29Å; Q533-E535 WeakPolarHBondContact CB-OE1 3.34Å; Q533-E535 PolarHBondContact O-N 2.88Å
536	R	97	Very high	97.5	Very high	174 Å²	174	57.1 Å²	57.1	66%	0.657	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-104.8	-6.5	172.4	-62.6	-164.8	-164.9	-161.1	4.6	114.1	V531 Q533 P534	V531-R536 HydrophobicContact CG1-CB 3.79Å; Q533-R536 HydrophobicContact CB-CB 4.4Å; Q533-R536 HydrophobicContact CB-CG 4.06Å; Q533-R536 PolarHBondContact O-N 2.88Å; Q533-R536 VanDerWaalsContact O-N 3.08Å; P534-R536 PolarHBondContact O-N 3.46Å
537	R	97.8	Very high	97.5	Very high	18 Å²	18	60.5 Å²	60.5	7%	0.068	30%	0.299	C	S	.	.	S	Bend	trans	-74.6	140.8	174.5	-61.3	179.6	-163.9	139.7	12.9	109	E462 E472 I475 M529 V531 R532 P534	E462-R537 IonicContact OE1-CZ 3.64Å; E462-R537 IonicContact OE1-NH1 3.59Å; E462-R537 PolarHBondContact OE1-NH1 3.33Å; E462-R537 IonicContact OE1-NH2 2.79Å; E462-R537 PolarHBondContact OE1-NH2 2.79Å; E462-R537 IonicContact OE2-CZ 2.72Å; E462-R537 IonicContact OE2-NH1 3.44Å; E462-R537 IonicContact OE2-NH2 3.52Å; E462-R537 PolarHBondContact OE2-NH2 3.1Å; E472-R537 PolarHBondContact O-NH1 2.74Å; I475-R537 HydrophobicContact CG2-CB 4.23Å; M529-R537 WeakPolarHBondContact O-CD 3.27Å; V531-R537 HydrophobicContact CB-CG 4.23Å; V531-R537 PolarHBondContact O-NE 2.91Å; V531-R537 PolarHBondContact O-NH2 2.77Å; V531-R537 VanDerWaalsContact O-NH2 3.07Å; R532-R537 PolarHBondContact O-NH2 2.85Å; P534-R537 WeakPolarHBondContact O-CB 3.33Å; P534-R537 PolarHBondContact O-N 2.76Å
538	P	98.3	Very high	97.5	Very high	11 Å²	11	56 Å²	56	7%	0.071	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.2	150.2	170.5	30.1	-35.2	0	0	0	110.2	Q528 M542 L543	Q528-P538 HydrophobicContact CB-CG 4.35Å; Q528-P538 HydrophobicContact CG-CG 4.02Å; Q528-P538 WeakPolarHBondContact O-CD 3.48Å; P538-M542 HydrophobicContact CB-CB 3.88Å; P538-M542 HydrophobicContact CB-CE 4.15Å; P538-M542 HydrophobicContact CB-SD 4.4Å; P538-L543 HydrophobicContact CB-CD2 4.23Å; P538-L543 HydrophobicContact CB-CG 4.04Å; P538-L543 HydrophobicContact CG-CD1 4.17Å; P538-L543 HydrophobicContact CG-CD2 3.51Å; P538-L543 HydrophobicContact CG-CG 3.68Å
539	T	98.5	Very high	97.6	Very high	73 Å²	73	53.6 Å²	53.6	45%	0.448	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72.2	163.3	169.5	68	0	0	0	0	110.5	A541 M542 L543	T539-A541 PolarHBondContact O-N 3.17Å; T539-M542 HydrophobicContact CG2-SD 4.27Å; T539-M542 WeakPolarHBondContact O-CB 3.4Å; T539-M542 PolarHBondContact O-N 3.28Å; T539-M542 WeakPolarHBondContact OG1-CG 3.5Å; T539-M542 PolarHBondContact OG1-N 3.48Å; T539-L543 PolarHBondContact O-N 3.08Å
540	A	98.6	Very high	97.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-38.3	174.1	0	0	0	0	0	112.1	L402 L405 A406 I475 M542 L543 L544	L402-A540 HydrophobicContact CD2-CB 4.01Å; L405-A540 HydrophobicContact CB-CB 3.84Å; A406-A540 HydrophobicContact CB-CB 3.97Å; I475-A540 HydrophobicContact CD1-CB 3.98Å; A540-M542 VanDerWaalsContact C-N 3.35Å; A540-M542 PolarHBondContact O-N 3.33Å; A540-L543 PolarHBondContact O-N 2.72Å; A540-L544 WeakPolarHBondContact O-CG 3.45Å; A540-L544 PolarHBondContact O-N 3.29Å; A540-L544 VanDerWaalsContact O-N 3.08Å
541	A	98.4	Very high	97.6	Very high	54 Å²	54	62.2 Å²	62.2	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-32.5	174.6	0	0	0	0	0	113.8	A406 T539	A406-A541 HydrophobicContact CB-CB 4.4Å; T539-A541 PolarHBondContact O-N 3.17Å
542	M	98.4	Very high	97.7	Very high	115 Å²	115	61.2 Å²	61.2	57%	0.567	31%	0.307	S	S	*	.	H	α-helix	trans	-73.1	-39.5	172.4	-69.5	168.5	67.1	0	0	111.8	P538 T539 A540 L544 Q545	P538-M542 HydrophobicContact CB-CB 3.88Å; P538-M542 HydrophobicContact CB-CE 4.15Å; P538-M542 HydrophobicContact CB-SD 4.4Å; T539-M542 HydrophobicContact CG2-SD 4.27Å; T539-M542 WeakPolarHBondContact O-CB 3.4Å; T539-M542 PolarHBondContact O-N 3.28Å; T539-M542 WeakPolarHBondContact OG1-CG 3.5Å; T539-M542 PolarHBondContact OG1-N 3.48Å; A540-M542 VanDerWaalsContact C-N 3.35Å; A540-M542 PolarHBondContact O-N 3.33Å; M542-L544 VanDerWaalsContact C-N 3.28Å; M542-L544 PolarHBondContact O-N 3.48Å; M542-Q545 PolarHBondContact O-N 3.21Å
543	L	98.6	Very high	97.8	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-32.2	177.8	-73	167.1	0	0	0	112.7	L402 I475 F525 Q528 M529 P538 T539 A540 Q545 H546 V549	L402-L543 HydrophobicContact CD1-CB 3.65Å; L402-L543 HydrophobicContact CD2-CB 3.84Å; L402-L543 HydrophobicContact CD2-CD1 3.75Å; L402-L543 HydrophobicContact CD2-CG 4.46Å; L402-L543 HydrophobicContact CG-CB 4.39Å; I475-L543 HydrophobicContact CD1-CD1 4.18Å; I475-L543 HydrophobicContact CG2-CD1 3.86Å; F525-L543 HydrophobicContact CD2-CD2 4.15Å; F525-L543 HydrophobicContact CE2-CB 4.38Å; F525-L543 HydrophobicContact CE2-CD2 3.75Å; Q528-L543 HydrophobicContact CG-CD2 4.3Å; Q528-L543 VanDerWaalsContact NE2-CD2 3.32Å; M529-L543 HydrophobicContact CG-CD1 3.99Å; M529-L543 HydrophobicContact CG-CD2 3.84Å; M529-L543 HydrophobicContact SD-CD1 3.54Å; M529-L543 VanDerWaalsContact SD-CD1 3.54Å; M529-L543 HydrophobicContact SD-CD2 3.86Å; M529-L543 HydrophobicContact SD-CG 4.37Å; P538-L543 HydrophobicContact CB-CD2 4.23Å; P538-L543 HydrophobicContact CB-CG 4.04Å; P538-L543 HydrophobicContact CG-CD1 4.17Å; P538-L543 HydrophobicContact CG-CD2 3.51Å; P538-L543 HydrophobicContact CG-CG 3.68Å; T539-L543 PolarHBondContact O-N 3.08Å; A540-L543 PolarHBondContact O-N 2.72Å; L543-Q545 PolarHBondContact O-N 3.15Å; L543-Q545 VanDerWaalsContact O-N 3.17Å; L543-H546 VanDerWaalsContact O-CB 3.32Å; L543-H546 WeakPolarHBondContact O-CB 3.26Å; L543-H546 PolarHBondContact O-N 2.66Å; L543-V549 VanDerWaalsContact O-CG2 3.31Å; L543-V549 WeakPolarHBondContact O-CG2 3.42Å
544	L	98.4	Very high	97.9	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.5	171.9	-73.1	172.9	0	0	0	114.1	K399 L402 E403 A406 A540 M542	K399-L544 HydrophobicContact CG-CD2 4.42Å; L402-L544 HydrophobicContact CB-CD2 3.49Å; L402-L544 VanDerWaalsContact CB-CD2 3.49Å; L402-L544 HydrophobicContact CB-CG 3.83Å; L402-L544 HydrophobicContact CD1-CD2 4.44Å; E403-L544 HydrophobicContact CG-CD1 4.22Å; E403-L544 HydrophobicContact CG-CD2 3.88Å; A406-L544 HydrophobicContact CB-CD1 4.1Å; A540-L544 WeakPolarHBondContact O-CG 3.45Å; A540-L544 PolarHBondContact O-N 3.29Å; A540-L544 VanDerWaalsContact O-N 3.08Å; M542-L544 VanDerWaalsContact C-N 3.28Å; M542-L544 PolarHBondContact O-N 3.48Å
545	Q	98	Very high	97.8	Very high	155 Å²	155	61.7 Å²	61.7	72%	0.724	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	7.6	176.2	-52.1	-59.8	-62.1	0	0	112.7	M542 L543	M542-Q545 PolarHBondContact O-N 3.21Å; L543-Q545 PolarHBondContact O-N 3.15Å; L543-Q545 VanDerWaalsContact O-N 3.17Å
546	H	98.3	Very high	97.8	Very high	34 Å²	34	58 Å²	58	16%	0.157	31%	0.311	C	S	.	.	S	Bend	trans	-83.6	134	-179.2	-172.7	-96.9	0	0	0	111.3	F525 Q528 L543 F548 V549	F525-H546 HydrophobicContact CD2-CB 3.97Å; F525-H546 AromaticContact CD2-CE1 3.92Å; F525-H546 AromaticContact CD2-CG 3.64Å; F525-H546 AromaticContact CD2-ND1 3.24Å; F525-H546 WeakPolarHBondContact CD2-ND1 3.4Å; F525-H546 HydrophobicContact CE2-CB 4.09Å; F525-H546 AromaticContact CG-ND1 3.85Å; Q528-H546 PolarHBondContact NE2-CD2 3.12Å; L543-H546 VanDerWaalsContact O-CB 3.32Å; L543-H546 WeakPolarHBondContact O-CB 3.26Å; L543-H546 PolarHBondContact O-N 2.66Å; H546-F548 WeakPolarHBondContact ND1-CB 3.22Å; H546-F548 PolarHBondContact ND1-N 3.04Å; H546-F548 PolarHBondContact O-N 3.39Å; H546-V549 WeakPolarHBondContact O-CB 3.45Å; H546-V549 PolarHBondContact O-N 2.65Å
547	P	98.1	Very high	97.8	Very high	70 Å²	70	51.5 Å²	51.5	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.4	-176	-29.6	37.3	0	0	0	117.1	M521	M521-P547 HydrophobicContact SD-CB 3.71Å
548	F	98.6	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-37.5	167.5	-177	-99.2	0	0	0	112.5	E391 I394 A395 M521 L522 F525 H546 D550 K551	E391-F548 HydrophobicContact CB-CE2 4.07Å; E391-F548 HydrophobicContact CB-CZ 4.42Å; E391-F548 HydrophobicContact CG-CE2 4.33Å; I394-F548 HydrophobicContact CB-CZ 4.23Å; I394-F548 HydrophobicContact CG2-CE1 4.02Å; I394-F548 HydrophobicContact CG2-CZ 3.85Å; A395-F548 HydrophobicContact CB-CD1 4.28Å; A395-F548 HydrophobicContact CB-CE1 3.79Å; A395-F548 HydrophobicContact CB-CZ 4.03Å; A395-F548 WeakPolarHBondContact CB-O 3.47Å; M521-F548 HydrophobicContact CG-CB 4.16Å; L522-F548 HydrophobicContact CB-CD2 3.99Å; L522-F548 HydrophobicContact CB-CE2 3.78Å; L522-F548 HydrophobicContact CD1-CD1 4.47Å; L522-F548 HydrophobicContact CD1-CD2 4.22Å; L522-F548 HydrophobicContact CD1-CE1 4.04Å; L522-F548 HydrophobicContact CD1-CE2 3.77Å; L522-F548 HydrophobicContact CD1-CZ 3.69Å; L522-F548 HydrophobicContact CD2-CE2 4.08Å; L522-F548 HydrophobicContact CD2-CZ 4.22Å; L522-F548 HydrophobicContact CG-CE2 4.08Å; L522-F548 HydrophobicContact CG-CZ 4.37Å; F525-F548 HydrophobicContact CB-CB 3.94Å; F525-F548 HydrophobicContact CB-CD1 4.49Å; F525-F548 HydrophobicContact CB-CG 4.19Å; F525-F548 HydrophobicContact CD1-CB 4.33Å; F525-F548 AromaticContact CD1-CD1 3.45Å; F525-F548 HydrophobicContact CD1-CD1 3.45Å; F525-F548 VanDerWaalsContact CD1-CD1 3.45Å; F525-F548 HydrophobicContact CD1-CE1 4.05Å; F525-F548 HydrophobicContact CD1-CG 4Å; F525-F548 HydrophobicContact CD2-CB 4.11Å; F525-F548 HydrophobicContact CD2-CD1 4.46Å; F525-F548 AromaticContact CE1-CD1 3.63Å; F525-F548 HydrophobicContact CE1-CD1 3.63Å; F525-F548 HydrophobicContact CE1-CE1 4.1Å; F525-F548 HydrophobicContact CG-CB 3.88Å; F525-F548 AromaticContact CG-CD1 3.9Å; F525-F548 HydrophobicContact CG-CD1 3.9Å; F525-F548 HydrophobicContact CG-CG 4.04Å; F525-F548 HydrophobicContact CZ-CD1 4.18Å; H546-F548 WeakPolarHBondContact ND1-CB 3.22Å; H546-F548 PolarHBondContact ND1-N 3.04Å; H546-F548 PolarHBondContact O-N 3.39Å; F548-D550 VanDerWaalsContact C-N 3.29Å; F548-D550 PolarHBondContact O-N 2.88Å; F548-K551 HydrophobicContact CD2-CD 4.26Å; F548-K551 HydrophobicContact CE2-CD 4.27Å; F548-K551 WeakPolarHBondContact O-CB 3.36Å; F548-K551 PolarHBondContact O-N 2.8Å
549	V	98.3	Very high	97.4	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-71.5	-25.2	-178.7	-177.2	0	0	0	0	111.5	K399 L402 F525 L543 H546 K551 A552	K399-V549 HydrophobicContact CB-CG1 3.8Å; K399-V549 HydrophobicContact CD-CG1 4.22Å; K399-V549 HydrophobicContact CG-CG1 3.96Å; L402-V549 HydrophobicContact CD1-CG2 4.24Å; F525-V549 HydrophobicContact CE2-CG2 3.85Å; F525-V549 HydrophobicContact CZ-CG2 3.93Å; L543-V549 VanDerWaalsContact O-CG2 3.31Å; L543-V549 WeakPolarHBondContact O-CG2 3.42Å; H546-V549 WeakPolarHBondContact O-CB 3.45Å; H546-V549 PolarHBondContact O-N 2.65Å; V549-K551 PolarHBondContact O-N 3.34Å; V549-A552 WeakPolarHBondContact O-CB 3.41Å; V549-A552 PolarHBondContact O-N 2.98Å
550	D	97.6	Very high	97	Very high	127 Å²	127	52.3 Å²	52.3	68%	0.679	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.3	-13.7	172.6	-64.4	-36.8	0	0	0	113.5	F548 A552	F548-D550 VanDerWaalsContact C-N 3.29Å; F548-D550 PolarHBondContact O-N 2.88Å; D550-A552 PolarHBondContact O-N 3.47Å
551	K	98.1	Very high	96.6	Very high	59 Å²	59	52.3 Å²	52.3	26%	0.257	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-73.9	-10.3	168.2	-70	176.3	166.3	167.1	0	113.3	E391 V392 A395 M521 F548 V549	E391-K551 HydrophobicContact CB-CD 4.43Å; E391-K551 IonicContact OE2-NZ 3.29Å; E391-K551 PolarHBondContact OE2-NZ 3.45Å; V392-K551 WeakPolarHBondContact CG1-O 3.4Å; V392-K551 HydrophobicContact CG2-CB 4.48Å; A395-K551 HydrophobicContact CB-CB 3.7Å; M521-K551 HydrophobicContact CE-CD 4.02Å; M521-K551 HydrophobicContact CE-CG 4.44Å; F548-K551 HydrophobicContact CD2-CD 4.26Å; F548-K551 HydrophobicContact CE2-CD 4.27Å; F548-K551 WeakPolarHBondContact O-CB 3.36Å; F548-K551 PolarHBondContact O-N 2.8Å; V549-K551 PolarHBondContact O-N 3.34Å
552	A	98.1	Very high	95.8	Very high	21 Å²	21	50.3 Å²	50.3	17%	0.174	28%	0.276	C	S	.	.			trans	-64.6	135.8	179.4	0	0	0	0	0	111.2	A395 T396 K399 V549 D550	A395-A552 HydrophobicContact CB-CB 4.36Å; T396-A552 WeakPolarHBondContact OG1-CA 3.42Å; K399-A552 HydrophobicContact CB-CB 3.93Å; K399-A552 HydrophobicContact CD-CB 3.69Å; K399-A552 HydrophobicContact CG-CB 4.45Å; V549-A552 WeakPolarHBondContact O-CB 3.41Å; V549-A552 PolarHBondContact O-N 2.98Å; D550-A552 PolarHBondContact O-N 3.47Å
553	T	97.4	Very high	94.3	Very high	76 Å²	76	53 Å²	53	47%	0.466	28%	0.279	S	S	.	.			trans	-119.3	-168.2	178.7	55.8	0	0	0	0	110.5	V392 T396	V392-T553 HydrophobicContact CG1-CG2 3.77Å; V392-T553 WeakPolarHBondContact CG1-OG1 3.31Å; T396-T553 WeakPolarHBondContact CG2-O 3.25Å; T396-T553 PolarHBondContact OG1-N 3.04Å
554	D	96.9	Very high	92.4	Very high	103 Å²	103	60.2 Å²	60.2	55%	0.551	31%	0.307	S	S	*	.			trans	-61	138.3	174.2	-179.2	-89.8	0	0	0	110.7	S556 V557	D554-S556 PolarHBondContact O-N 2.85Å; D554-S556 WeakPolarHBondContact OD1-CB 3.42Å; D554-S556 PolarHBondContact OD1-N 2.91Å; D554-S556 PolarHBondContact OD1-OG 2.82Å; D554-V557 WeakPolarHBondContact O-CG1 3.31Å; D554-V557 PolarHBondContact O-N 3.19Å; D554-V557 VanDerWaalsContact O-N 3.07Å
555	P	95.4	Very high	90.3	Very high	30 Å²	30	60 Å²	60	20%	0.195	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-53.5	-18.8	-179.5	-28.6	36	0	0	0	115.3	D428 K430 V557 L558	D428-P555 CarbonylContact O-C 3.58Å; K430-P555 HydrophobicContact CG-CB 4.17Å; K430-P555 HydrophobicContact CG-CG 4.4Å; P555-V557 PolarHBondContact O-N 2.77Å; P555-L558 WeakPolarHBondContact O-CB 3.38Å; P555-L558 PolarHBondContact O-N 3.24Å
556	S	95.2	Very high	87.9	Confident	53 Å²	53	55.1 Å²	55.1	37%	0.371	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-54.7	-23.2	173	60.5	0	0	0	0	115	D554 L558 K559	D554-S556 PolarHBondContact O-N 2.85Å; D554-S556 WeakPolarHBondContact OD1-CB 3.42Å; D554-S556 PolarHBondContact OD1-N 2.91Å; D554-S556 PolarHBondContact OD1-OG 2.82Å; S556-L558 PolarHBondContact O-N 2.87Å; S556-L558 VanDerWaalsContact O-N 3.17Å; S556-K559 WeakPolarHBondContact O-CB 3.21Å; S556-K559 PolarHBondContact O-N 3.06Å
557	V	96	Very high	85.1	Confident	38 Å²	38	57.3 Å²	57.3	23%	0.23	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.6	-21.5	172.8	76.6	0	0	0	0	113.2	V392 Q393 T396 D554 P555 P560	V392-V557 HydrophobicContact CG1-CG2 4.34Å; Q393-V557 HydrophobicContact CG-CG1 4.47Å; Q393-V557 HydrophobicContact CG-CG2 4.09Å; T396-V557 HydrophobicContact CG2-CG1 3.97Å; D554-V557 WeakPolarHBondContact O-CG1 3.31Å; D554-V557 PolarHBondContact O-N 3.19Å; D554-V557 VanDerWaalsContact O-N 3.07Å; P555-V557 PolarHBondContact O-N 2.77Å; V557-P560 WeakPolarHBondContact O-CD 3.34Å
558	L	95.1	Very high	82.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-93.5	-17	-179.9	-59.6	172.4	0	0	0	113.4	M389 Q393 T396 V397 G429 I431 P555 S556 P560 L561 V562	M389-L558 HydrophobicContact CE-CD2 3.85Å; Q393-L558 HydrophobicContact CB-CD2 3.7Å; Q393-L558 HydrophobicContact CG-CD2 3.98Å; T396-L558 HydrophobicContact CG2-CD1 4.11Å; V397-L558 HydrophobicContact CG2-CD1 3.76Å; V397-L558 HydrophobicContact CG2-CD2 4.2Å; G429-L558 WeakPolarHBondContact O-CD1 3.16Å; I431-L558 HydrophobicContact CD1-CD1 3.99Å; I431-L558 HydrophobicContact CG1-CD1 4.08Å; P555-L558 WeakPolarHBondContact O-CB 3.38Å; P555-L558 PolarHBondContact O-N 3.24Å; S556-L558 PolarHBondContact O-N 2.87Å; S556-L558 VanDerWaalsContact O-N 3.17Å; L558-P560 VanDerWaalsContact C-N 3.32Å; L558-L561 HydrophobicContact CD2-CD1 3.89Å; L558-L561 WeakPolarHBondContact O-CB 3.49Å; L558-L561 PolarHBondContact O-N 3.39Å; L558-V562 PolarHBondContact O-N 3.39Å
559	K	92.8	Very high	79.3	Confident	53 Å²	53	62 Å²	62	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-53	-37	176.9	-64.6	-177.4	-155.2	-158.2	0	114.4	D428 S556 L561 R563	D428-K559 VanDerWaalsContact C-CG 3.42Å; D428-K559 VanDerWaalsContact CA-CE 3.45Å; D428-K559 WeakPolarHBondContact O-CE 3.23Å; D428-K559 VanDerWaalsContact O-CG 3.29Å; D428-K559 WeakPolarHBondContact O-CG 3.32Å; D428-K559 WeakPolarHBondContact OD1-CE 3.38Å; D428-K559 IonicContact OD1-NZ 3.51Å; D428-K559 PolarHBondContact OD1-NZ 3Å; S556-K559 WeakPolarHBondContact O-CB 3.21Å; S556-K559 PolarHBondContact O-N 3.06Å; K559-L561 VanDerWaalsContact C-N 3.27Å; K559-L561 PolarHBondContact O-N 3.25Å; K559-R563 WeakPolarHBondContact O-CG 3.46Å; K559-R563 PolarHBondContact O-N 3.25Å; K559-R563 VanDerWaalsContact O-N 3.08Å
560	P	91.6	Very high	76.1	Confident	65 Å²	65	68.2 Å²	68.2	42%	0.422	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-29.2	176.8	-23.3	35.5	0	0	0	113.8	V557 L558 R564	V557-P560 WeakPolarHBondContact O-CD 3.34Å; L558-P560 VanDerWaalsContact C-N 3.32Å; P560-R564 WeakPolarHBondContact O-CG 3.37Å; P560-R564 PolarHBondContact O-N 3.27Å
561	L	88.7	Confident	73	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-73.4	-51.1	178.7	-51.1	-178.3	0	0	0	110	I383 M389 L558 K559 R563 R564 N565	I383-L561 HydrophobicContact CD1-CB 4.08Å; I383-L561 HydrophobicContact CG1-CB 4.4Å; I383-L561 HydrophobicContact CG2-CB 4Å; I383-L561 HydrophobicContact CG2-CD1 3.88Å; I383-L561 HydrophobicContact CG2-CG 4.48Å; M389-L561 HydrophobicContact CE-CD1 3.96Å; M389-L561 HydrophobicContact CG-CD1 4.07Å; M389-L561 HydrophobicContact SD-CD1 4.49Å; L558-L561 HydrophobicContact CD2-CD1 3.89Å; L558-L561 WeakPolarHBondContact O-CB 3.49Å; L558-L561 PolarHBondContact O-N 3.39Å; K559-L561 VanDerWaalsContact C-N 3.27Å; K559-L561 PolarHBondContact O-N 3.25Å; L561-R563 VanDerWaalsContact C-N 3.29Å; L561-R563 PolarHBondContact O-N 2.83Å; L561-R564 PolarHBondContact O-N 3.19Å; L561-N565 PolarHBondContact O-N 3.37Å
562	V	82.6	Confident	69.7	Low	11 Å²	11	73.6 Å²	73.6	7%	0.067	40%	0.4	C	S	.	.	H	α-helix	trans	-51.1	-46.7	174	166.4	0	0	0	0	111.8	I383 L425 L558 R564 A566	I383-V562 HydrophobicContact CD1-CG2 4.39Å; L425-V562 HydrophobicContact CB-CG2 4.04Å; L425-V562 HydrophobicContact CD2-CG2 3.95Å; L558-V562 PolarHBondContact O-N 3.39Å; V562-R564 PolarHBondContact O-N 3.35Å; V562-A566 PolarHBondContact O-N 3.22Å
563	R	66.4	Low	68.3	Low	171 Å²	171	76.3 Å²	76.3	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-68.5	-32.7	-176.9	-73.7	178.5	-177.5	-170.9	0.5	114.2	K559 L561 A566 V567	K559-R563 WeakPolarHBondContact O-CG 3.46Å; K559-R563 PolarHBondContact O-N 3.25Å; K559-R563 VanDerWaalsContact O-N 3.08Å; L561-R563 VanDerWaalsContact C-N 3.29Å; L561-R563 PolarHBondContact O-N 2.83Å; R563-A566 PolarHBondContact O-N 3.32Å; R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.03Å
564	R	59.3	Low	66.7	Low	153 Å²	153	76.3 Å²	76.3	58%	0.577	41%	0.408	S	S	*	.	H	α-helix	trans	-62.9	-52.1	177.7	-76.2	168.6	178.5	164.3	0.2	110.5	P560 L561 V562 A566 V567	P560-R564 WeakPolarHBondContact O-CG 3.37Å; P560-R564 PolarHBondContact O-N 3.27Å; L561-R564 PolarHBondContact O-N 3.19Å; V562-R564 PolarHBondContact O-N 3.35Å; R564-A566 PolarHBondContact O-N 3.03Å; R564-V567 PolarHBondContact O-N 3.28Å
565	N	53.5	Low	65.1	Low	34 Å²	34	74.8 Å²	74.8	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-59.1	-30.6	177.7	-71.6	-3.5	0	0	0	113.3	D382 I383 S386 L561 V569	D382-N565 PolarHBondContact O-ND2 3.41Å; I383-N565 WeakPolarHBondContact CG1-ND2 3.48Å; I383-N565 PolarHBondContact N-ND2 3.23Å; S386-N565 WeakPolarHBondContact CB-OD1 3.37Å; S386-N565 PolarHBondContact OG-OD1 3.19Å; L561-N565 PolarHBondContact O-N 3.37Å; N565-V569 WeakPolarHBondContact O-CG2 3.44Å
566	A	48.8	Very low	63.3	Low	51 Å²	51	77.4 Å²	77.4	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-78	-21.9	177.6	0	0	0	0	0	114.5	V562 R563 R564 N570	V562-A566 PolarHBondContact O-N 3.22Å; R563-A566 PolarHBondContact O-N 3.32Å; R564-A566 PolarHBondContact O-N 3.03Å; A566-N570 PolarHBondContact O-ND2 2.62Å
567	V	38.3	Very low	61.3	Low	80 Å²	80	78.9 Å²	78.9	49%	0.485	42%	0.415	S	S	.	.	H	α-helix	trans	-83.4	-40.6	-177.6	169.2	0	0	0	0	112.1	R563 R564 V569 N570	R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.03Å; R564-V567 PolarHBondContact O-N 3.28Å; V567-V569 VanDerWaalsContact C-N 3.27Å; V567-V569 PolarHBondContact O-N 2.93Å; V567-N570 PolarHBondContact O-N 3.48Å
568	D	37.4	Very low	59	Low	117 Å²	117	81.7 Å²	81.7	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-60.2	-35.2	179.5	-83.1	-39.2	0	0	0	112.8	N570 Q571	D568-N570 PolarHBondContact O-N 2.64Å; D568-Q571 PolarHBondContact O-N 3.23Å
569	V	37.8	Very low	56.4	Low	53 Å²	53	87.5 Å²	87.5	32%	0.321	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.6	177.5	-145.6	0	0	0	0	113.4	N565 V567	N565-V569 WeakPolarHBondContact O-CG2 3.44Å; V567-V569 VanDerWaalsContact C-N 3.27Å; V567-V569 PolarHBondContact O-N 2.93Å
570	N	32	Very low	53.6	Low	136 Å²	136	90.2 Å²	90.2	73%	0.727	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	2.8	-176.9	-70.8	-78.1	0	0	0	113.9	A566 V567 D568	A566-N570 PolarHBondContact O-ND2 2.62Å; V567-N570 PolarHBondContact O-N 3.48Å; D568-N570 PolarHBondContact O-N 2.64Å
571	Q	32.1	Very low	50.4	Low	158 Å²	158	92.3 Å²	92.3	74%	0.738	48%	0.479	S	S	*	.			trans	-117.2	6.8	178	-60.9	-163.9	13.6	0	0	114.4	D568	D568-Q571 PolarHBondContact O-N 3.23Å
572	C	28.4	Very low	47	Very low	141 Å²	141	100.5 Å²	100.5	95%	0.953	52%	0.522	S	S	*	.			trans	-117.7	0	171.2	-72.7	0	0	0	0	111.4	K132	K132-C572 PolarHBondContact NZ-O 2.93Å; K132-C572 PolarHBondContact NZ-OXT 3.33Å

Retrieved 572 of 572 residues in 543.8 ms (Link to these results)

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