A0A096NMB7_PAPAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (A0A7N9IBX7), UniProt , Accession A0A096NMB7, Species PAPAN (Papio anubis, Olive baboon), Gene CSNK1G1, Length 459 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	34.5	Very low	36	Very low	232 Å²	232	169 Å²	169	100%	1.143	82%	0.817	S	S	*	*				0	122.8	0	-79.1	175.4	171.1	0	0	107.1
2	D	35.1	Very low	35.8	Very low	153 Å²	153	170.3 Å²	170.3	82%	0.818	82%	0.82	S	S	*	*			trans	67.8	101.4	152.3	-51.9	-34.2	0	0	0	121.2
3	H	33.7	Very low	35.4	Very low	181 Å²	181	174.1 Å²	174.1	84%	0.838	82%	0.821	S	S	*	*			trans	-56.7	168	133.8	-97.8	-53.6	0	0	0	110.7
4	P	57	Low	35.1	Very low	113 Å²	113	172.4 Å²	172.4	73%	0.734	83%	0.828	S	S	*	*			cis	-144	-179.7	35.9	32.8	-6	0	0	0	113.1
5	S	32.5	Very low	34.7	Very low	110 Å²	110	168.1 Å²	168.1	77%	0.769	82%	0.817	S	S	*	*				-171.6	137.1	77	-64.3	0	0	0	0	112.4
6	R	34.5	Very low	34.5	Very low	224 Å²	224	169.9 Å²	169.9	85%	0.845	82%	0.82	S	S	*	*			trans	-75.1	154.1	168.2	-76.3	166.3	152.8	166.1	-5.4	110.8
7	E	35.4	Very low	34.7	Very low	203 Å²	203	166.9 Å²	166.9	95%	0.949	82%	0.817	S	S	*	*			trans	-137.4	147	135.9	-109.5	178.7	175.8	0	0	110.6
8	K	33.5	Very low	34.8	Very low	167 Å²	167	167.3 Å²	167.3	73%	0.726	82%	0.819	S	S	*	*			trans	-111.7	152.5	-169.7	-88.6	175.5	164	-176.1	0	109.2
9	D	34	Very low	34.7	Very low	154 Å²	154	164 Å²	164	82%	0.824	82%	0.822	S	S	*	*			trans	-160.5	112.3	135.2	-105.2	-20.8	0	0	0	106.8
10	E	34	Very low	34.5	Very low	135 Å²	135	163.8 Å²	163.8	63%	0.631	82%	0.818	S	S	*	*				46.1	124.5	79.3	-81.5	-143.3	122.3	0	0	112.3
11	R	32.2	Very low	34.3	Very low	187 Å²	187	166.7 Å²	166.7	71%	0.706	82%	0.819	S	S	*	*			cis	-163.8	167.4	21.5	-92.2	158.1	-176.3	-169.9	12.6	104.8
12	Q	32.6	Very low	34.2	Very low	184 Å²	184	161 Å²	161	86%	0.86	80%	0.802	S	S	*	*			cis	-176	162.5	42.9	-137.6	161.3	28.6	0	0	108.7
13	R	31.6	Very low	34	Very low	220 Å²	220	158.7 Å²	158.7	83%	0.83	80%	0.804	S	S	*	*			trans	-115.7	135.7	-165.9	178.4	-169.1	-165.8	-170.6	5.9	109.7
14	T	30.4	Very low	34.1	Very low	150 Å²	150	159.3 Å²	159.3	92%	0.92	81%	0.807	S	S	*	*			trans	-154.8	157.3	153	42.6	0	0	0	0	111.8
15	T	30.1	Very low	32.8	Very low	109 Å²	109	160.1 Å²	160.1	67%	0.669	81%	0.814	S	S	*	*			trans	-127.4	153.1	-148.4	44.8	0	0	0	0	113.6
16	K	30.6	Very low	32.8	Very low	196 Å²	196	160.2 Å²	160.2	85%	0.852	82%	0.815	S	S	*	*			trans	78.2	162.3	151	-78.3	178.9	178.1	-177.3	0	119
17	P	38.2	Very low	32.9	Very low	119 Å²	119	160.3 Å²	160.3	77%	0.773	82%	0.815	S	S	*	*			cis	-133.9	178.2	-19.2	30.2	-7.9	0	0	0	115.2
18	M	36.2	Very low	33	Very low	174 Å²	174	156.6 Å²	156.6	86%	0.857	81%	0.809	S	S	*	*			trans	-61.3	145	172.1	-115.5	167.9	74.4	0	0	114.6
19	A	32.6	Very low	33.3	Very low	105 Å²	105	153.4 Å²	153.4	87%	0.868	81%	0.808	S	S	*	*			trans	-144.2	140.8	156	0	0	0	0	0	111.1
20	Q	31.5	Very low	33.3	Very low	159 Å²	159	149.2 Å²	149.2	74%	0.743	80%	0.801	S	S	*	*			trans	-90.8	159.8	-173.1	-83	179.3	-17.7	0	0	113.6
21	R	30.3	Very low	33.6	Very low	225 Å²	225	147.7 Å²	147.7	85%	0.849	81%	0.805	S	S	*	*			trans	101.2	116.5	142.3	-88	173.3	178.3	-163.3	-0.9	121.1
22	S	31.4	Very low	33.9	Very low	113 Å²	113	144 Å²	144	79%	0.79	81%	0.808	S	S	*	*				85.6	104.6	129	-57.4	0	0	0	0	120.1
23	A	31.1	Very low	34.3	Very low	104 Å²	104	139.6 Å²	139.6	86%	0.86	80%	0.797	S	S	*	*			trans	-162.5	131.7	132.7	0	0	0	0	0	110.8
24	H	36	Very low	34.7	Very low	195 Å²	195	134.1 Å²	134.1	90%	0.903	79%	0.793	S	S	*	*			trans	-54.3	134.8	171.1	-89.3	-83.1	0	0	0	112.3
25	C	30.4	Very low	35.6	Very low	130 Å²	130	132.1 Å²	132.1	88%	0.878	79%	0.785	S	S	*	*			trans	-138.2	112.9	150.2	-101.5	0	0	0	0	109.7
26	S	33.1	Very low	37.1	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	78%	0.782	S	S	*	*			trans	-53.3	133	171.4	20.9	0	0	0	0	111.3
27	R	36.4	Very low	39.4	Very low	225 Å²	225	124.2 Å²	124.2	85%	0.849	77%	0.765	S	S	*	*			trans	-48.7	136.6	163	-76.8	171.8	154.3	177.9	-6.4	110.7
28	P	36.1	Very low	41.9	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	75%	0.746	S	S	*	*			trans	-91.4	91.8	139.2	27.6	-14.2	0	0	0	107	G30	P28-G30 PolarHBondContact O-N 3.39Å
29	S	40.9	Very low	44.6	Very low	100 Å²	100	116.9 Å²	116.9	70%	0.699	72%	0.721	S	S	*	*			trans	-69.2	75.7	154.8	45.6	0	0	0	0	107.7	S31	S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 3.15Å
30	G	34.8	Very low	47.6	Very low	66 Å²	66	111.9 Å²	111.9	68%	0.68	68%	0.679	S	S	*	*			trans	-90	62.5	170.9	0	0	0	0	0	110	P28 S32	P28-G30 PolarHBondContact O-N 3.39Å; G30-S32 PolarHBondContact O-N 2.84Å
31	S	38.4	Very low	50.5	Low	102 Å²	102	105.7 Å²	105.7	71%	0.713	66%	0.658	S	S	*	*			trans	-72.9	87.5	155.3	62.3	0	0	0	0	106.4	S29 S33	S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 3.15Å; S31-S33 PolarHBondContact O-N 3.26Å
32	S	38.4	Very low	53.4	Low	111 Å²	111	99.3 Å²	99.3	78%	0.776	65%	0.646	S	S	*	*			trans	-68.9	73.8	161.4	59	0	0	0	0	107.8	G30 S34	G30-S32 PolarHBondContact O-N 2.84Å; S32-S34 PolarHBondContact O-N 3.42Å
33	S	41.9	Very low	56.5	Low	90 Å²	90	94.7 Å²	94.7	63%	0.629	61%	0.612	S	S	*	*			trans	-68.8	84.5	151.1	59.4	0	0	0	0	105	S31 S35	S31-S33 PolarHBondContact O-N 3.26Å; S33-S35 PolarHBondContact O-N 3.16Å
34	S	39.9	Very low	59.7	Low	105 Å²	105	90.1 Å²	90.1	73%	0.734	57%	0.573	S	S	*	*			trans	-59	101.2	153.8	61.6	0	0	0	0	103.7	S32 G36	S32-S34 PolarHBondContact O-N 3.42Å; S34-G36 PolarHBondContact O-N 2.87Å
35	S	48.7	Very low	62.6	Low	108 Å²	108	86.4 Å²	86.4	76%	0.755	55%	0.551	S	S	*	*			trans	-64.9	70.2	162.8	-56.7	0	0	0	0	105.7	S33 V37	S33-S35 PolarHBondContact O-N 3.16Å; S35-V37 PolarHBondContact O-N 2.81Å
36	G	62.8	Low	65.7	Low	59 Å²	59	80.9 Å²	80.9	61%	0.608	51%	0.513	S	S	*	.			trans	-61.2	111.3	-173	0	0	0	0	0	105.9	S34 L38	S34-G36 PolarHBondContact O-N 2.87Å; G36-L38 PolarHBondContact O-N 3.46Å
37	V	78.3	Confident	68.6	Low	81 Å²	81	77 Å²	77	49%	0.491	49%	0.491	S	S	.	.			trans	-56.6	118.3	173.3	176.6	0	0	0	0	106.1	S35 M39 R45	S35-V37 PolarHBondContact O-N 2.81Å; V37-M39 HydrophobicContact CG1-SD 4.28Å; V37-M39 WeakPolarHBondContact O-CG 3.5Å; V37-M39 PolarHBondContact O-N 3Å; V37-R45 HydrophobicContact CG1-CG 3.47Å; V37-R45 VanDerWaalsContact CG1-CG 3.47Å
38	L	89.9	Confident	71.4	Confident	74 Å²	74	72.1 Å²	72.1	39%	0.387	48%	0.476	S	S	.	.			trans	-63.4	126.7	-179.2	-178.1	67	0	0	0	108.6	G36 V46	G36-L38 PolarHBondContact O-N 3.46Å; L38-V46 HydrophobicContact CB-CB 4.04Å; L38-V46 HydrophobicContact CB-CG2 4.33Å; L38-V46 HydrophobicContact CD2-CB 4.09Å; L38-V46 HydrophobicContact CD2-CG1 4.02Å; L38-V46 HydrophobicContact CD2-CG2 4.11Å; L38-V46 HydrophobicContact CG-CB 4.06Å; L38-V46 HydrophobicContact CG-CG2 3.89Å; L38-V46 VanDerWaalsContact O-CB 3.31Å; L38-V46 WeakPolarHBondContact O-CB 3.47Å; L38-V46 WeakPolarHBondContact O-CG2 3.47Å; L38-V46 PolarHBondContact O-N 2.89Å
39	M	94.8	Very high	74.1	Confident	64 Å²	64	71.1 Å²	71.1	32%	0.315	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.2	-178.6	-64.9	-62.3	-62.6	0	0	109.9	V37 F44 R45 L64 C110	V37-M39 HydrophobicContact CG1-SD 4.28Å; V37-M39 WeakPolarHBondContact O-CG 3.5Å; V37-M39 PolarHBondContact O-N 3Å; M39-F44 CarbonylContact C-O 3.5Å; M39-F44 WeakPolarHBondContact CA-O 3.4Å; M39-F44 VanDerWaalsContact CE-C 3.49Å; M39-R45 HydrophobicContact CE-CB 4.42Å; M39-R45 VanDerWaalsContact SD-CA 3.53Å; M39-R45 HydrophobicContact SD-CB 3.88Å; M39-R45 HydrophobicContact SD-CG 4.35Å; M39-L64 HydrophobicContact CE-CD1 3.64Å; M39-L64 HydrophobicContact CE-CG 4.4Å; M39-L64 HydrophobicContact SD-CD1 4.26Å; M39-C110 PolarHBondContact O-SG 2.84Å
40	V	94.9	Very high	76.5	Confident	0 Å²	0	69 Å²	69	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.8	167.9	177	0	0	0	0	107.6	F44 V46 I72 L74 Y106 C110 A115 V117	V40-F44 HydrophobicContact CB-CB 4.26Å; V40-F44 PolarHBondContact N-O 2.87Å; V40-F44 WeakPolarHBondContact O-CB 3.44Å; V40-F44 WeakPolarHBondContact O-CD2 3.27Å; V40-F44 PolarHBondContact O-N 3.26Å; V40-V46 HydrophobicContact CG2-CG2 3.58Å; V40-I72 HydrophobicContact CG2-CD1 4.37Å; V40-I72 HydrophobicContact CG2-CG2 3.93Å; V40-L74 HydrophobicContact CG2-CD2 4.47Å; V40-Y106 HydrophobicContact CG1-CD1 3.51Å; V40-Y106 HydrophobicContact CG1-CE1 3.57Å; V40-C110 HydrophobicContact CG2-CB 3.78Å; V40-C110 VanDerWaalsContact CG2-SG 3.5Å; V40-A115 HydrophobicContact CB-CB 4.38Å; V40-A115 HydrophobicContact CG1-CB 3.61Å; V40-A115 HydrophobicContact CG2-CB 3.77Å; V40-V117 HydrophobicContact CB-CG2 4.28Å; V40-V117 HydrophobicContact CG1-CG2 3.66Å
41	G	92.6	Very high	78.8	Confident	29 Å²	29	67 Å²	67	30%	0.299	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-157	-175.2	0	0	0	0	0	112.7
42	P	91.1	Very high	80.6	Confident	92 Å²	92	66.8 Å²	66.8	60%	0.597	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-21.1	-174.5	28.3	-31.2	0	0	0	114.1
43	N	95.8	Very high	81.9	Confident	15 Å²	15	63.1 Å²	63.1	8%	0.08	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-0.9	-161.6	63.6	-48.7	0	0	0	115.7	N63 L64 Y65	N43-N63 VanDerWaalsContact ND2-CG 3.31Å; N43-N63 PolarHBondContact ND2-ND2 3.26Å; N43-N63 PolarHBondContact ND2-OD1 3.19Å; N43-L64 WeakPolarHBondContact O-CB 3.41Å; N43-L64 WeakPolarHBondContact O-CG 3.22Å; N43-L64 PolarHBondContact O-N 3.36Å; N43-Y65 HydrophobicContact CB-CD1 3.91Å; N43-Y65 HydrophobicContact CB-CD2 3.55Å; N43-Y65 HydrophobicContact CB-CE1 3.86Å; N43-Y65 HydrophobicContact CB-CE2 3.51Å; N43-Y65 HydrophobicContact CB-CG 3.76Å
44	F	97.6	Very high	82.9	Confident	9 Å²	9	61.5 Å²	61.5	4%	0.039	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.5	-178.4	-56.1	-77.6	0	0	0	111.6	M39 V40 N63 V70 I72 Y106 V117	M39-F44 CarbonylContact C-O 3.5Å; M39-F44 WeakPolarHBondContact CA-O 3.4Å; M39-F44 VanDerWaalsContact CE-C 3.49Å; V40-F44 HydrophobicContact CB-CB 4.26Å; V40-F44 PolarHBondContact N-O 2.87Å; V40-F44 WeakPolarHBondContact O-CB 3.44Å; V40-F44 WeakPolarHBondContact O-CD2 3.27Å; V40-F44 PolarHBondContact O-N 3.26Å; F44-N63 HydrophobicContact CD1-CB 3.87Å; F44-N63 HydrophobicContact CE1-CB 3.73Å; F44-V70 HydrophobicContact CD1-CG1 4.42Å; F44-V70 HydrophobicContact CD1-CG2 4.01Å; F44-V70 HydrophobicContact CE1-CG1 4.28Å; F44-I72 HydrophobicContact CB-CD1 4.32Å; F44-Y106 HydrophobicContact CE2-CG 4.46Å; F44-V117 HydrophobicContact CB-CG2 4.36Å; F44-V117 HydrophobicContact CD1-CG1 3.68Å; F44-V117 HydrophobicContact CD2-CG1 4.32Å; F44-V117 HydrophobicContact CD2-CG2 4.02Å; F44-V117 HydrophobicContact CE1-CG1 3.81Å; F44-V117 HydrophobicContact CE2-CG1 4.45Å; F44-V117 HydrophobicContact CG-CG1 3.93Å; F44-V117 HydrophobicContact CG-CG2 4.11Å; F44-V117 HydrophobicContact CZ-CG1 4.2Å
45	R	96.9	Very high	84.2	Confident	117 Å²	117	58.6 Å²	58.6	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.2	173.7	177.9	174.5	-62.5	173.4	0.7	110.1	V37 M39 G61 K62 L64	V37-R45 HydrophobicContact CG1-CG 3.47Å; V37-R45 VanDerWaalsContact CG1-CG 3.47Å; M39-R45 HydrophobicContact CE-CB 4.42Å; M39-R45 VanDerWaalsContact SD-CA 3.53Å; M39-R45 HydrophobicContact SD-CB 3.88Å; M39-R45 HydrophobicContact SD-CG 4.35Å; R45-G61 CarbonylContact O-C 3.42Å; R45-G61 WeakPolarHBondContact O-CA 3.33Å; R45-K62 PolarHBondContact N-O 2.93Å; R45-K62 PolarHBondContact O-N 3.33Å; R45-L64 HydrophobicContact CB-CD1 4.35Å; R45-L64 HydrophobicContact CB-CD2 3.98Å; R45-L64 HydrophobicContact CB-CG 4.21Å
46	V	96.4	Very high	85.7	Confident	14 Å²	14	54.6 Å²	54.6	9%	0.085	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.3	174.6	-174.7	0	0	0	0	109.9	L38 V40 R59 I72	L38-V46 HydrophobicContact CB-CB 4.04Å; L38-V46 HydrophobicContact CB-CG2 4.33Å; L38-V46 HydrophobicContact CD2-CB 4.09Å; L38-V46 HydrophobicContact CD2-CG1 4.02Å; L38-V46 HydrophobicContact CD2-CG2 4.11Å; L38-V46 HydrophobicContact CG-CB 4.06Å; L38-V46 HydrophobicContact CG-CG2 3.89Å; L38-V46 VanDerWaalsContact O-CB 3.31Å; L38-V46 WeakPolarHBondContact O-CB 3.47Å; L38-V46 WeakPolarHBondContact O-CG2 3.47Å; L38-V46 PolarHBondContact O-N 2.89Å; V40-V46 HydrophobicContact CG2-CG2 3.58Å; V46-R59 HydrophobicContact CG1-CB 4.12Å; V46-R59 HydrophobicContact CG1-CG 4.33Å; V46-I72 HydrophobicContact CB-CD1 4.48Å; V46-I72 HydrophobicContact CG2-CD1 3.9Å
47	G	94.5	Very high	87	Confident	31 Å²	31	53.2 Å²	53.2	32%	0.32	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-147.9	-178.8	0	0	0	0	0	113.5	R59 L60	G47-R59 PolarHBondContact O-NH1 3.1Å; G47-L60 CarbonylContact C-O 3.52Å; G47-L60 WeakPolarHBondContact CA-O 3.24Å; G47-L60 PolarHBondContact N-O 3.12Å
48	K	93.8	Very high	87.8	Confident	122 Å²	122	52 Å²	52	53%	0.53	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	151.4	-178	69.1	-180	-179.7	-177.7	0	111.6	I50 R59 L60 P336	K48-I50 HydrophobicContact CG-CG2 4.28Å; K48-R59 WeakPolarHBondContact O-CA 3.37Å; K48-L60 HydrophobicContact CG-CB 4.33Å; K48-L60 PolarHBondContact O-N 3.41Å; K48-P336 WeakPolarHBondContact CE-O 3.4Å; K48-P336 PolarHBondContact NZ-O 2.94Å
49	K	93.7	Very high	88	Confident	105 Å²	105	51.5 Å²	51.5	46%	0.457	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.4	170.1	-172.1	171.6	179	172.6	0	109.8	G51 C52	K49-G51 VanDerWaalsContact CE-O 3.28Å; K49-G51 WeakPolarHBondContact CE-O 3.15Å; K49-C52 WeakPolarHBondContact CE-SG 3.44Å; K49-C52 PolarHBondContact NZ-SG 2.66Å
50	I	90.8	Very high	88.1	Confident	55 Å²	55	49.2 Å²	49.2	28%	0.282	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-12.5	178.6	60.5	175.7	0	0	0	112.6	K48 L58 L60 L120 P336	K48-I50 HydrophobicContact CG-CG2 4.28Å; I50-L58 HydrophobicContact CD1-CD2 4.24Å; I50-L58 HydrophobicContact CD1-CG 4.22Å; I50-L58 HydrophobicContact CG1-CB 4.46Å; I50-L58 HydrophobicContact CG1-CD2 4.15Å; I50-L58 HydrophobicContact CG1-CG 3.98Å; I50-L58 PolarHBondContact N-O 3.38Å; I50-L60 HydrophobicContact CD1-CB 4.4Å; I50-L60 HydrophobicContact CG2-CB 3.74Å; I50-L120 HydrophobicContact CD1-CD1 4.14Å; I50-P336 HydrophobicContact CB-CB 4.41Å; I50-P336 HydrophobicContact CG2-CB 3.73Å
51	G	83.8	Confident	88.2	Confident	24 Å²	24	49.3 Å²	49.3	25%	0.247	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	171.9	175.2	0	0	0	0	0	112.8	K49 L58	K49-G51 VanDerWaalsContact CE-O 3.28Å; K49-G51 WeakPolarHBondContact CE-O 3.15Å; G51-L58 PolarHBondContact N-O 3.07Å; G51-L58 VanDerWaalsContact N-O 3.14Å; G51-L58 PolarHBondContact O-N 2.82Å
52	C	75.8	Confident	88.4	Confident	98 Å²	98	50.5 Å²	50.5	66%	0.662	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.9	168.6	-61.3	0	0	0	0	107.4	K49	K49-C52 WeakPolarHBondContact CE-SG 3.44Å; K49-C52 PolarHBondContact NZ-SG 2.66Å
53	G	66.4	Low	88.7	Confident	34 Å²	34	46.9 Å²	46.9	35%	0.351	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	169.2	167.1	0	0	0	0	0	110.3	F55 G56	G53-F55 PolarHBondContact O-N 2.96Å; G53-F55 VanDerWaalsContact O-N 3.15Å; G53-G56 PolarHBondContact N-O 3.29Å; G53-G56 VanDerWaalsContact O-O 3.08Å
54	N	62.6	Low	88.7	Confident	55 Å²	55	49.5 Å²	49.5	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.9	174.8	-75.5	-14.9	0	0	0	113.3	T411	N54-T411 PolarHBondContact ND2-OG1 2.91Å; N54-T411 WeakPolarHBondContact OD1-CB 3.47Å; N54-T411 PolarHBondContact OD1-OG1 2.83Å
55	F	67.5	Low	88.7	Confident	44 Å²	44	57.3 Å²	57.3	19%	0.193	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	8.8	-168.3	-46.8	-69.4	0	0	0	113.1	G53 Q83 L190	G53-F55 PolarHBondContact O-N 2.96Å; G53-F55 VanDerWaalsContact O-N 3.15Å; F55-Q83 HydrophobicContact CD1-CG 4.29Å; F55-Q83 HydrophobicContact CG-CB 4.49Å; F55-Q83 HydrophobicContact CG-CG 4.36Å; F55-Q83 VanDerWaalsContact CZ-CD 3.49Å; F55-L190 HydrophobicContact CZ-CD2 4.27Å
56	G	80.4	Confident	88.6	Confident	25 Å²	25	55.1 Å²	55.1	26%	0.258	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-159.9	-175.5	0	0	0	0	0	114.8	G53 L74	G53-G56 PolarHBondContact N-O 3.29Å; G53-G56 VanDerWaalsContact O-O 3.08Å; G56-L74 CarbonylContact C-O 3.45Å; G56-L74 WeakPolarHBondContact CA-O 3.48Å
57	E	90.1	Very high	88.5	Confident	29 Å²	29	59.6 Å²	59.6	14%	0.136	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.7	176.9	64.7	175	-169.1	0	0	112.1	R59 L74	E57-R59 VanDerWaalsContact CD-NE 3.32Å; E57-R59 IonicContact OE1-CZ 3.27Å; E57-R59 VanDerWaalsContact OE1-CZ 3.27Å; E57-R59 IonicContact OE1-NE 2.73Å; E57-R59 PolarHBondContact OE1-NE 2.91Å; E57-R59 IonicContact OE1-NH2 2.93Å; E57-R59 PolarHBondContact OE1-NH2 3.22Å; E57-R59 IonicContact OE2-CZ 3.9Å; E57-R59 IonicContact OE2-NE 3.68Å; E57-R59 IonicContact OE2-NH2 3.25Å; E57-R59 PolarHBondContact OE2-NH2 2.66Å; E57-L74 HydrophobicContact CG-CB 3.91Å; E57-L74 HydrophobicContact CG-CD1 4.17Å; E57-L74 PolarHBondContact N-O 3.35Å; E57-L74 PolarHBondContact O-N 2.8Å
58	L	93.9	Very high	88.5	Confident	55 Å²	55	63.2 Å²	63.2	29%	0.288	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.8	174.9	-170.4	69.6	0	0	0	109.2	I50 G51 A71 K73	I50-L58 HydrophobicContact CD1-CD2 4.24Å; I50-L58 HydrophobicContact CD1-CG 4.22Å; I50-L58 HydrophobicContact CG1-CB 4.46Å; I50-L58 HydrophobicContact CG1-CD2 4.15Å; I50-L58 HydrophobicContact CG1-CG 3.98Å; I50-L58 PolarHBondContact N-O 3.38Å; G51-L58 PolarHBondContact N-O 3.07Å; G51-L58 VanDerWaalsContact N-O 3.14Å; G51-L58 PolarHBondContact O-N 2.82Å; L58-A71 HydrophobicContact CD1-CB 4.28Å; L58-K73 HydrophobicContact CD1-CB 4.12Å
59	R	95.2	Very high	88.6	Confident	65 Å²	65	61 Å²	61	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.4	-179.5	-64.4	-170.1	173.4	-116.9	-2.1	111.6	V46 G47 K48 E57 I72 L74	V46-R59 HydrophobicContact CG1-CB 4.12Å; V46-R59 HydrophobicContact CG1-CG 4.33Å; G47-R59 PolarHBondContact O-NH1 3.1Å; K48-R59 WeakPolarHBondContact O-CA 3.37Å; E57-R59 VanDerWaalsContact CD-NE 3.32Å; E57-R59 IonicContact OE1-CZ 3.27Å; E57-R59 VanDerWaalsContact OE1-CZ 3.27Å; E57-R59 IonicContact OE1-NE 2.73Å; E57-R59 PolarHBondContact OE1-NE 2.91Å; E57-R59 IonicContact OE1-NH2 2.93Å; E57-R59 PolarHBondContact OE1-NH2 3.22Å; E57-R59 IonicContact OE2-CZ 3.9Å; E57-R59 IonicContact OE2-NE 3.68Å; E57-R59 IonicContact OE2-NH2 3.25Å; E57-R59 PolarHBondContact OE2-NH2 2.66Å; R59-I72 PolarHBondContact N-O 2.71Å; R59-I72 PolarHBondContact O-N 2.86Å; R59-L74 HydrophobicContact CG-CD1 4.32Å
60	L	96.4	Very high	88.7	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.3	164.2	-177.4	64.1	0	0	0	108	G47 K48 I50 Y69 L120 V337	G47-L60 CarbonylContact C-O 3.52Å; G47-L60 WeakPolarHBondContact CA-O 3.24Å; G47-L60 PolarHBondContact N-O 3.12Å; K48-L60 HydrophobicContact CG-CB 4.33Å; K48-L60 PolarHBondContact O-N 3.41Å; I50-L60 HydrophobicContact CD1-CB 4.4Å; I50-L60 HydrophobicContact CG2-CB 3.74Å; L60-Y69 HydrophobicContact CD1-CD1 3.81Å; L60-Y69 HydrophobicContact CD1-CG 4.3Å; L60-Y69 HydrophobicContact CD2-CD1 4.07Å; L60-Y69 HydrophobicContact CD2-CE1 4.12Å; L60-Y69 HydrophobicContact CG-CD1 3.99Å; L60-Y69 HydrophobicContact CG-CE1 4.47Å; L60-L120 HydrophobicContact CD1-CD1 4.29Å; L60-L120 HydrophobicContact CD1-CD2 3.59Å; L60-V337 HydrophobicContact CD1-CG2 4.27Å; L60-V337 HydrophobicContact CD2-CG2 4.47Å
61	G	96.9	Very high	89	Confident	3 Å²	3	54.1 Å²	54.1	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	169.3	171.9	0	0	0	0	0	111.9	R45 Y69 V70	R45-G61 CarbonylContact O-C 3.42Å; R45-G61 WeakPolarHBondContact O-CA 3.33Å; G61-Y69 WeakPolarHBondContact O-CA 3.36Å; G61-Y69 WeakPolarHBondContact O-CD1 3.22Å; G61-V70 VanDerWaalsContact C-CG2 3.49Å; G61-V70 PolarHBondContact N-O 3.49Å; G61-V70 PolarHBondContact O-N 2.84Å
62	K	97.3	Very high	89.7	Confident	54 Å²	54	53 Å²	53	24%	0.235	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.3	173.2	-165.9	171.9	-176.4	-176.8	0	110.3	R45 L64 N67 E68 Y69	R45-K62 PolarHBondContact N-O 2.93Å; R45-K62 PolarHBondContact O-N 3.33Å; K62-L64 PolarHBondContact O-N 2.93Å; K62-N67 VanDerWaalsContact CE-O 3.32Å; K62-N67 WeakPolarHBondContact CE-O 3.41Å; K62-N67 WeakPolarHBondContact CE-OD1 3.4Å; K62-N67 PolarHBondContact NZ-OD1 3.28Å; K62-E68 CarbonylContact C-O 3.59Å; K62-E68 WeakPolarHBondContact CA-O 3.45Å; K62-Y69 HydrophobicContact CB-CD1 4.38Å; K62-Y69 HydrophobicContact CD-CE1 4.15Å; K62-Y69 HydrophobicContact CG-CD1 4.42Å; K62-Y69 HydrophobicContact CG-CE1 4.44Å
63	N	97.2	Very high	90.6	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	114.5	169.3	-175.5	-20.1	0	0	0	108.4	N43 F44 Y65 T66 N67 E68 V70	N43-N63 VanDerWaalsContact ND2-CG 3.31Å; N43-N63 PolarHBondContact ND2-ND2 3.26Å; N43-N63 PolarHBondContact ND2-OD1 3.19Å; F44-N63 HydrophobicContact CD1-CB 3.87Å; F44-N63 HydrophobicContact CE1-CB 3.73Å; N63-Y65 VanDerWaalsContact C-N 3.29Å; N63-Y65 PolarHBondContact O-N 3.31Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.39Å; N63-Y65 PolarHBondContact OD1-N 3.47Å; N63-T66 WeakPolarHBondContact CB-OG1 3.46Å; N63-T66 VanDerWaalsContact CG-OG1 3.3Å; N63-T66 PolarHBondContact ND2-OG1 2.73Å; N63-T66 PolarHBondContact OD1-N 3.42Å; N63-N67 WeakPolarHBondContact O-CA 3.4Å; N63-N67 PolarHBondContact O-N 3.07Å; N63-E68 PolarHBondContact N-O 3.34Å; N63-V70 HydrophobicContact CB-CG1 4.47Å
64	L	96.2	Very high	92	Very high	71 Å²	71	47.9 Å²	47.9	37%	0.372	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.1	-176.8	-60.6	-175.8	0	0	0	113.2	M39 N43 R45 K62	M39-L64 HydrophobicContact CE-CD1 3.64Å; M39-L64 HydrophobicContact CE-CG 4.4Å; M39-L64 HydrophobicContact SD-CD1 4.26Å; N43-L64 WeakPolarHBondContact O-CB 3.41Å; N43-L64 WeakPolarHBondContact O-CG 3.22Å; N43-L64 PolarHBondContact O-N 3.36Å; R45-L64 HydrophobicContact CB-CD1 4.35Å; R45-L64 HydrophobicContact CB-CD2 3.98Å; R45-L64 HydrophobicContact CB-CG 4.21Å; K62-L64 PolarHBondContact O-N 2.93Å
65	Y	96.5	Very high	93.5	Very high	173 Å²	173	45.5 Å²	45.5	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-41	176.1	-63.8	-17.9	0	0	0	112	N43 N63	N43-Y65 HydrophobicContact CB-CD1 3.91Å; N43-Y65 HydrophobicContact CB-CD2 3.55Å; N43-Y65 HydrophobicContact CB-CE1 3.86Å; N43-Y65 HydrophobicContact CB-CE2 3.51Å; N43-Y65 HydrophobicContact CB-CG 3.76Å; N63-Y65 VanDerWaalsContact C-N 3.29Å; N63-Y65 PolarHBondContact O-N 3.31Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.39Å; N63-Y65 PolarHBondContact OD1-N 3.47Å
66	T	95.6	Very high	94.8	Very high	71 Å²	71	45.9 Å²	45.9	44%	0.436	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-8	-178.5	66	0	0	0	0	113.6	N63 E68	N63-T66 WeakPolarHBondContact CB-OG1 3.46Å; N63-T66 VanDerWaalsContact CG-OG1 3.3Å; N63-T66 PolarHBondContact ND2-OG1 2.73Å; N63-T66 PolarHBondContact OD1-N 3.42Å; T66-E68 WeakPolarHBondContact CB-OE2 3.34Å; T66-E68 PolarHBondContact O-N 3.4Å; T66-E68 WeakPolarHBondContact OG1-CB 3.42Å; T66-E68 WeakPolarHBondContact OG1-CG 3.4Å; T66-E68 PolarHBondContact OG1-N 2.92Å; T66-E68 PolarHBondContact OG1-OE2 2.8Å
67	N	94.2	Very high	95.4	Very high	107 Å²	107	49.1 Å²	49.1	57%	0.572	24%	0.239	S	C	*	.			trans	62.4	13.5	-173.1	-160.7	41	0	0	0	114.1	K62 N63	K62-N67 VanDerWaalsContact CE-O 3.32Å; K62-N67 WeakPolarHBondContact CE-O 3.41Å; K62-N67 WeakPolarHBondContact CE-OD1 3.4Å; K62-N67 PolarHBondContact NZ-OD1 3.28Å; N63-N67 WeakPolarHBondContact O-CA 3.4Å; N63-N67 PolarHBondContact O-N 3.07Å
68	E	94.3	Very high	95.5	Very high	107 Å²	107	57.3 Å²	57.3	50%	0.5	27%	0.274	S	S	.	.			trans	-88	147.7	-178.4	-65.3	173	134.3	0	0	112.7	K62 N63 T66	K62-E68 CarbonylContact C-O 3.59Å; K62-E68 WeakPolarHBondContact CA-O 3.45Å; N63-E68 PolarHBondContact N-O 3.34Å; T66-E68 WeakPolarHBondContact CB-OE2 3.34Å; T66-E68 PolarHBondContact O-N 3.4Å; T66-E68 WeakPolarHBondContact OG1-CB 3.42Å; T66-E68 WeakPolarHBondContact OG1-CG 3.4Å; T66-E68 PolarHBondContact OG1-N 2.92Å; T66-E68 PolarHBondContact OG1-OE2 2.8Å
69	Y	95.9	Very high	95.4	Very high	77 Å²	77	56.5 Å²	56.5	30%	0.302	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.6	173.1	-71	-76.7	0	0	0	111.6	L60 G61 K62 V337	L60-Y69 HydrophobicContact CD1-CD1 3.81Å; L60-Y69 HydrophobicContact CD1-CG 4.3Å; L60-Y69 HydrophobicContact CD2-CD1 4.07Å; L60-Y69 HydrophobicContact CD2-CE1 4.12Å; L60-Y69 HydrophobicContact CG-CD1 3.99Å; L60-Y69 HydrophobicContact CG-CE1 4.47Å; G61-Y69 WeakPolarHBondContact O-CA 3.36Å; G61-Y69 WeakPolarHBondContact O-CD1 3.22Å; K62-Y69 HydrophobicContact CB-CD1 4.38Å; K62-Y69 HydrophobicContact CD-CE1 4.15Å; K62-Y69 HydrophobicContact CG-CD1 4.42Å; K62-Y69 HydrophobicContact CG-CE1 4.44Å; Y69-V337 HydrophobicContact CD1-CG2 4.36Å; Y69-V337 HydrophobicContact CD2-CG1 3.74Å; Y69-V337 HydrophobicContact CD2-CG2 3.95Å; Y69-V337 HydrophobicContact CE1-CG1 4.34Å; Y69-V337 HydrophobicContact CE2-CB 4.45Å; Y69-V337 HydrophobicContact CE2-CG1 3.27Å; Y69-V337 HydrophobicContact CE2-CG2 4.28Å; Y69-V337 HydrophobicContact CG-CG1 4.44Å; Y69-V337 HydrophobicContact CG-CG2 3.99Å
70	V	97.1	Very high	95	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.4	-178.3	-63.4	0	0	0	0	110.5	F44 G61 N63 I72 Y105 V117 L118	F44-V70 HydrophobicContact CD1-CG1 4.42Å; F44-V70 HydrophobicContact CD1-CG2 4.01Å; F44-V70 HydrophobicContact CE1-CG1 4.28Å; G61-V70 VanDerWaalsContact C-CG2 3.49Å; G61-V70 PolarHBondContact N-O 3.49Å; G61-V70 PolarHBondContact O-N 2.84Å; N63-V70 HydrophobicContact CB-CG1 4.47Å; V70-I72 HydrophobicContact CG2-CD1 4.39Å; V70-I72 HydrophobicContact CG2-CG1 4.1Å; V70-Y105 HydrophobicContact CG1-CD2 3.95Å; V70-Y105 HydrophobicContact CG1-CE2 3.79Å; V70-V117 HydrophobicContact CB-CG1 3.81Å; V70-V117 HydrophobicContact CG1-CG1 4.22Å; V70-V117 HydrophobicContact CG2-CG1 3.64Å; V70-L118 WeakPolarHBondContact CB-O 3.11Å
71	A	96.9	Very high	94.5	Very high	11 Å²	11	65.8 Å²	65.8	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.7	168.1	0	0	0	0	0	109.6	L58 V117 L118 L120	L58-A71 HydrophobicContact CD1-CB 4.28Å; A71-V117 WeakPolarHBondContact O-CA 3.42Å; A71-L118 HydrophobicContact CB-CB 4.41Å; A71-L118 PolarHBondContact N-O 3.11Å; A71-L118 PolarHBondContact O-N 3.28Å; A71-L120 HydrophobicContact CB-CD1 4.09Å
72	I	96.9	Very high	94.1	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	109.7	179.5	-56	-177.3	0	0	0	108.7	V40 F44 V46 R59 V70 L74 M116 V117	V40-I72 HydrophobicContact CG2-CD1 4.37Å; V40-I72 HydrophobicContact CG2-CG2 3.93Å; F44-I72 HydrophobicContact CB-CD1 4.32Å; V46-I72 HydrophobicContact CB-CD1 4.48Å; V46-I72 HydrophobicContact CG2-CD1 3.9Å; R59-I72 PolarHBondContact N-O 2.71Å; R59-I72 PolarHBondContact O-N 2.86Å; V70-I72 HydrophobicContact CG2-CD1 4.39Å; V70-I72 HydrophobicContact CG2-CG1 4.1Å; I72-L74 HydrophobicContact CG2-CD2 3.84Å; I72-L74 HydrophobicContact CG2-CG 4.05Å; I72-M116 WeakPolarHBondContact CA-O 3.38Å; I72-V117 HydrophobicContact CG1-CG1 4.31Å; I72-V117 HydrophobicContact CG1-CG2 4.31Å
73	K	95.9	Very high	93.8	Very high	25 Å²	25	68.3 Å²	68.3	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.8	173.7	-163.9	171.4	-173.6	-175.9	0	108.3	L58 L84 E87 A115 M116 D187	L58-K73 HydrophobicContact CD1-CB 4.12Å; K73-L84 HydrophobicContact CB-CD1 4.05Å; K73-L84 HydrophobicContact CD-CD1 3.57Å; K73-L84 HydrophobicContact CG-CD1 3.73Å; K73-E87 WeakPolarHBondContact CE-OE2 3.39Å; K73-E87 IonicContact NZ-OE1 2.96Å; K73-E87 PolarHBondContact NZ-OE1 3.13Å; K73-E87 IonicContact NZ-OE2 3.91Å; K73-E87 PolarHBondContact NZ-OE2 3.28Å; K73-A115 WeakPolarHBondContact O-CA 3.43Å; K73-M116 HydrophobicContact CD-CE 4.38Å; K73-M116 PolarHBondContact N-O 3.12Å; K73-M116 PolarHBondContact O-N 3.43Å; K73-D187 IonicContact NZ-OD1 2.69Å; K73-D187 PolarHBondContact NZ-OD1 3.44Å
74	L	94.9	Very high	93.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.7	-177.6	-63.9	173.8	0	0	0	110.2	V40 G56 E57 R59 I72 C110 Y113 N114 A115	V40-L74 HydrophobicContact CG2-CD2 4.47Å; G56-L74 CarbonylContact C-O 3.45Å; G56-L74 WeakPolarHBondContact CA-O 3.48Å; E57-L74 HydrophobicContact CG-CB 3.91Å; E57-L74 HydrophobicContact CG-CD1 4.17Å; E57-L74 PolarHBondContact N-O 3.35Å; E57-L74 PolarHBondContact O-N 2.8Å; R59-L74 HydrophobicContact CG-CD1 4.32Å; I72-L74 HydrophobicContact CG2-CD2 3.84Å; I72-L74 HydrophobicContact CG2-CG 4.05Å; L74-C110 HydrophobicContact CD2-CB 4.31Å; L74-Y113 HydrophobicContact CB-CD1 4.04Å; L74-Y113 HydrophobicContact CB-CG 4.26Å; L74-N114 WeakPolarHBondContact CA-O 3.22Å; L74-A115 HydrophobicContact CD2-CB 3.51Å
75	E	95.1	Very high	93.6	Very high	4 Å²	4	70 Å²	70	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128	176.1	175.6	-179.6	-103.8	0	0	109.4	I77 P82 Q83 L84 Y113 N114	E75-I77 PolarHBondContact O-N 2.99Å; E75-P82 WeakPolarHBondContact OE1-CA 3.46Å; E75-Q83 PolarHBondContact OE1-N 2.84Å; E75-L84 HydrophobicContact CB-CB 3.88Å; E75-L84 HydrophobicContact CB-CD2 3.83Å; E75-L84 HydrophobicContact CB-CG 4.45Å; E75-L84 HydrophobicContact CG-CB 4.42Å; E75-L84 PolarHBondContact OE1-N 3.3Å; E75-L84 WeakPolarHBondContact OE2-CB 3.28Å; E75-L84 PolarHBondContact OE2-N 3.5Å; E75-Y113 CarbonylContact O-C 3.56Å; E75-Y113 WeakPolarHBondContact O-CA 3.31Å; E75-Y113 WeakPolarHBondContact O-CB 3.44Å; E75-N114 PolarHBondContact N-O 3.06Å; E75-N114 PolarHBondContact O-N 3.15Å
76	P	94	Very high	93.5	Very high	53 Å²	53	65.2 Å²	65.2	34%	0.344	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	134.2	175.9	-23	32.8	0	0	0	111.7	K78 S79 Y113	P76-K78 PolarHBondContact O-N 3.4Å; P76-K78 VanDerWaalsContact O-N 3.11Å; P76-S79 VanDerWaalsContact O-CB 3.27Å; P76-S79 WeakPolarHBondContact O-CB 3.15Å; P76-S79 PolarHBondContact O-N 3.09Å; P76-Y113 HydrophobicContact CB-CD1 4.42Å; P76-Y113 HydrophobicContact CB-CE1 4.49Å; P76-Y113 HydrophobicContact CG-CD1 4.16Å; P76-Y113 HydrophobicContact CG-CE1 3.98Å
77	I	92.5	Very high	93.5	Very high	92 Å²	92	62 Å²	62	47%	0.472	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.8	178.6	-64.9	168	0	0	0	111.4	E75 S79 K112	E75-I77 PolarHBondContact O-N 2.99Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.85Å; I77-K112 PolarHBondContact N-O 3.18Å
78	K	92.6	Very high	93.6	Very high	202 Å²	202	59.6 Å²	59.6	88%	0.878	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	17.7	177.9	-59.9	-174.2	178	-175.7	0	113.6	P76 R80	P76-K78 PolarHBondContact O-N 3.4Å; P76-K78 VanDerWaalsContact O-N 3.11Å; K78-R80 PolarHBondContact O-N 3.14Å
79	S	90.9	Very high	93.7	Very high	37 Å²	37	60.4 Å²	60.4	26%	0.259	29%	0.287	S	S	.	.			trans	-57.4	138	176.1	-176.4	0	0	0	0	110.4	P76 I77 A81	P76-S79 VanDerWaalsContact O-CB 3.27Å; P76-S79 WeakPolarHBondContact O-CB 3.15Å; P76-S79 PolarHBondContact O-N 3.09Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.85Å; S79-A81 VanDerWaalsContact C-N 3.27Å; S79-A81 PolarHBondContact OG-N 3.03Å; S79-A81 PolarHBondContact OG-O 3.43Å
80	R	87.6	Confident	93.7	Very high	241 Å²	241	57.1 Å²	57.1	91%	0.909	27%	0.274	S	S	*	.	S	Bend	trans	-72.3	-23.9	177.3	-66.7	-177.7	-179.5	176.7	-1	112.6	K78	K78-R80 PolarHBondContact O-N 3.14Å
81	A	86.1	Confident	93.8	Very high	35 Å²	35	57.5 Å²	57.5	29%	0.289	28%	0.275	S	S	.	.	S	Bend	trans	-134.5	77.7	179.2	0	0	0	0	0	108.7	S79 L415	S79-A81 VanDerWaalsContact C-N 3.27Å; S79-A81 PolarHBondContact OG-N 3.03Å; S79-A81 PolarHBondContact OG-O 3.43Å; A81-L415 HydrophobicContact CB-CD1 4.19Å
82	P	88.9	Confident	93.7	Very high	90 Å²	90	62.8 Å²	62.8	58%	0.584	30%	0.296	S	S	*	.			trans	-70.8	132.6	-179.3	29.3	-33.9	0	0	0	110.8	E75	E75-P82 WeakPolarHBondContact OE1-CA 3.46Å
83	Q	90.5	Very high	93.6	Very high	20 Å²	20	65.7 Å²	65.7	9%	0.093	31%	0.31	C	S	.	.			trans	-131.1	-22.7	-178.5	-62	-168.7	-1.4	0	0	113.1	F55 E75 H85 L86 E87 G189	F55-Q83 HydrophobicContact CD1-CG 4.29Å; F55-Q83 HydrophobicContact CG-CB 4.49Å; F55-Q83 HydrophobicContact CG-CG 4.36Å; F55-Q83 VanDerWaalsContact CZ-CD 3.49Å; E75-Q83 PolarHBondContact OE1-N 2.84Å; Q83-H85 VanDerWaalsContact C-N 3.28Å; Q83-H85 PolarHBondContact O-N 3.2Å; Q83-L86 WeakPolarHBondContact O-CB 3.3Å; Q83-L86 PolarHBondContact O-N 2.86Å; Q83-E87 PolarHBondContact O-N 3.35Å; Q83-G189 PolarHBondContact OE1-O 3.38Å
84	L	93.9	Very high	93.7	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-35	-170	-166.7	66.1	0	0	0	113.2	K73 E75 Y88 F107 N114 M116	K73-L84 HydrophobicContact CB-CD1 4.05Å; K73-L84 HydrophobicContact CD-CD1 3.57Å; K73-L84 HydrophobicContact CG-CD1 3.73Å; E75-L84 HydrophobicContact CB-CB 3.88Å; E75-L84 HydrophobicContact CB-CD2 3.83Å; E75-L84 HydrophobicContact CB-CG 4.45Å; E75-L84 HydrophobicContact CG-CB 4.42Å; E75-L84 PolarHBondContact OE1-N 3.3Å; E75-L84 WeakPolarHBondContact OE2-CB 3.28Å; E75-L84 PolarHBondContact OE2-N 3.5Å; L84-Y88 WeakPolarHBondContact O-CB 3.26Å; L84-Y88 PolarHBondContact O-N 3.02Å; L84-F107 HydrophobicContact CB-CE2 4.43Å; L84-F107 HydrophobicContact CD2-CE2 4.25Å; L84-F107 HydrophobicContact CG-CE2 3.99Å; L84-N114 HydrophobicContact CD2-CB 4.12Å; L84-N114 WeakPolarHBondContact CD2-O 3.5Å; L84-M116 HydrophobicContact CD1-CB 3.94Å; L84-M116 HydrophobicContact CD1-CE 3.73Å; L84-M116 HydrophobicContact CD1-SD 4.5Å; L84-M116 HydrophobicContact CD2-CB 4.17Å; L84-M116 HydrophobicContact CG-CB 4.12Å
85	H	94.6	Very high	93.5	Very high	118 Å²	118	66 Å²	66	55%	0.546	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-40	175.2	-174.7	70.5	0	0	0	112.5	Q83 Y88 R89 F107	Q83-H85 VanDerWaalsContact C-N 3.28Å; Q83-H85 PolarHBondContact O-N 3.2Å; H85-Y88 PolarHBondContact O-N 3.49Å; H85-R89 PolarHBondContact O-N 3.5Å; H85-F107 HydrophobicContact CB-CE1 4.41Å; H85-F107 HydrophobicContact CB-CE2 4.43Å; H85-F107 HydrophobicContact CB-CZ 3.75Å; H85-F107 AromaticContact ND1-CE1 3.25Å; H85-F107 VanDerWaalsContact ND1-CE1 3.25Å; H85-F107 WeakPolarHBondContact ND1-CE1 3.22Å; H85-F107 AromaticContact ND1-CZ 3.51Å
86	L	94.1	Very high	92.7	Very high	73 Å²	73	71.8 Å²	71.8	38%	0.382	36%	0.361	S	S	.	.	H	α-helix	trans	-69	-42.6	178	-176.7	62.3	0	0	0	110.9	Q83 Y88 R89 F90	Q83-L86 WeakPolarHBondContact O-CB 3.3Å; Q83-L86 PolarHBondContact O-N 2.86Å; L86-Y88 VanDerWaalsContact C-N 3.33Å; L86-Y88 PolarHBondContact O-N 2.97Å; L86-R89 WeakPolarHBondContact O-CB 3.49Å; L86-R89 PolarHBondContact O-N 3.21Å; L86-R89 VanDerWaalsContact O-N 3.13Å; L86-F90 HydrophobicContact CD1-CE1 4.24Å; L86-F90 HydrophobicContact CD1-CE2 3.9Å; L86-F90 HydrophobicContact CD1-CZ 3.71Å; L86-F90 HydrophobicContact CD2-CE2 3.97Å; L86-F90 HydrophobicContact CD2-CZ 4.28Å; L86-F90 HydrophobicContact CG-CD2 4.16Å; L86-F90 HydrophobicContact CG-CE2 3.56Å; L86-F90 HydrophobicContact CG-CZ 3.91Å; L86-F90 WeakPolarHBondContact O-CD2 3.48Å; L86-F90 PolarHBondContact O-N 2.89Å
87	E	95.9	Very high	91.8	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.019	38%	0.382	C	S	.	.	H	α-helix	trans	-56.9	-46	173	-175.8	-178.5	-178.9	0	0	111.5	K73 Q83 R89 F90 Y91 M116 D187 F188	K73-E87 WeakPolarHBondContact CE-OE2 3.39Å; K73-E87 IonicContact NZ-OE1 2.96Å; K73-E87 PolarHBondContact NZ-OE1 3.13Å; K73-E87 IonicContact NZ-OE2 3.91Å; K73-E87 PolarHBondContact NZ-OE2 3.28Å; Q83-E87 PolarHBondContact O-N 3.35Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.01Å; E87-F90 PolarHBondContact O-N 3.45Å; E87-Y91 HydrophobicContact CG-CD2 4.01Å; E87-Y91 HydrophobicContact CG-CE2 3.76Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 2.85Å; E87-M116 HydrophobicContact CG-CE 3.86Å; E87-D187 WeakPolarHBondContact OE1-CA 3.36Å; E87-F188 HydrophobicContact CG-CB 4.11Å
88	Y	96.4	Very high	91.4	Very high	55 Å²	55	69.8 Å²	69.8	22%	0.216	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-43.7	174	171.9	-108.9	0	0	0	112.6	L84 H85 L86 F90 Y91 K92 V104 F107 M116	L84-Y88 WeakPolarHBondContact O-CB 3.26Å; L84-Y88 PolarHBondContact O-N 3.02Å; H85-Y88 PolarHBondContact O-N 3.49Å; L86-Y88 VanDerWaalsContact C-N 3.33Å; L86-Y88 PolarHBondContact O-N 2.97Å; Y88-F90 VanDerWaalsContact C-N 3.31Å; Y88-F90 PolarHBondContact O-N 3.22Å; Y88-Y91 PolarHBondContact O-N 3.22Å; Y88-K92 HydrophobicContact CE1-CG 4.18Å; Y88-K92 HydrophobicContact CE2-CD 4.37Å; Y88-K92 HydrophobicContact CE2-CG 4.1Å; Y88-K92 PolarHBondContact O-N 2.97Å; Y88-K92 WeakPolarHBondContact OH-CE 3.47Å; Y88-V104 HydrophobicContact CD2-CG1 3.85Å; Y88-V104 HydrophobicContact CE2-CG1 3.87Å; Y88-F107 HydrophobicContact CD1-CB 3.92Å; Y88-F107 AromaticContact CD1-CD1 3.91Å; Y88-F107 HydrophobicContact CD1-CD1 3.91Å; Y88-F107 HydrophobicContact CD1-CD2 4.43Å; Y88-F107 AromaticContact CD1-CG 3.82Å; Y88-F107 HydrophobicContact CD1-CG 3.82Å; Y88-F107 HydrophobicContact CD2-CB 3.42Å; Y88-F107 VanDerWaalsContact CD2-CB 3.42Å; Y88-F107 HydrophobicContact CD2-CD2 4.37Å; Y88-F107 AromaticContact CD2-CG 3.99Å; Y88-F107 HydrophobicContact CD2-CG 3.99Å; Y88-F107 HydrophobicContact CE1-CB 3.97Å; Y88-F107 HydrophobicContact CE1-CD1 4.2Å; Y88-F107 HydrophobicContact CE1-CG 4.24Å; Y88-F107 HydrophobicContact CE2-CB 3.49Å; Y88-F107 VanDerWaalsContact CE2-CB 3.49Å; Y88-F107 HydrophobicContact CE2-CG 4.4Å; Y88-F107 HydrophobicContact CG-CB 3.63Å; Y88-F107 HydrophobicContact CG-CD1 4.23Å; Y88-F107 AromaticContact CG-CD2 3.95Å; Y88-F107 HydrophobicContact CG-CD2 3.95Å; Y88-F107 AromaticContact CG-CG 3.66Å; Y88-F107 HydrophobicContact CG-CG 3.66Å; Y88-M116 HydrophobicContact CD2-SD 4.21Å
89	R	96.6	Very high	91.5	Very high	125 Å²	125	66.1 Å²	66.1	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-43	175.5	174.6	-179.1	161.6	172.9	-8.2	111.2	H85 L86 E87 K92 Q93 E193	H85-R89 PolarHBondContact O-N 3.5Å; L86-R89 WeakPolarHBondContact O-CB 3.49Å; L86-R89 PolarHBondContact O-N 3.21Å; L86-R89 VanDerWaalsContact O-N 3.13Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.01Å; R89-K92 WeakPolarHBondContact O-CB 3.41Å; R89-K92 PolarHBondContact O-N 3.48Å; R89-Q93 PolarHBondContact O-N 2.95Å; R89-E193 IonicContact CZ-OE1 2.77Å; R89-E193 IonicContact NH2-OE1 2.67Å; R89-E193 PolarHBondContact NH2-OE1 3.48Å; R89-E193 IonicContact NH2-OE2 2.79Å
90	F	97.1	Very high	91.7	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-39.7	177.5	-66.7	-37.5	0	0	0	112.7	L86 E87 Y88 K92 Q93 L94 L160 F188 A191 E193	L86-F90 HydrophobicContact CD1-CE1 4.24Å; L86-F90 HydrophobicContact CD1-CE2 3.9Å; L86-F90 HydrophobicContact CD1-CZ 3.71Å; L86-F90 HydrophobicContact CD2-CE2 3.97Å; L86-F90 HydrophobicContact CD2-CZ 4.28Å; L86-F90 HydrophobicContact CG-CD2 4.16Å; L86-F90 HydrophobicContact CG-CE2 3.56Å; L86-F90 HydrophobicContact CG-CZ 3.91Å; L86-F90 WeakPolarHBondContact O-CD2 3.48Å; L86-F90 PolarHBondContact O-N 2.89Å; E87-F90 PolarHBondContact O-N 3.45Å; Y88-F90 VanDerWaalsContact C-N 3.31Å; Y88-F90 PolarHBondContact O-N 3.22Å; F90-K92 VanDerWaalsContact C-N 3.27Å; F90-K92 PolarHBondContact O-N 2.8Å; F90-Q93 PolarHBondContact O-N 3.29Å; F90-Q93 VanDerWaalsContact O-N 3.15Å; F90-L94 WeakPolarHBondContact O-CB 3.34Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.3Å; F90-L94 PolarHBondContact O-N 3.46Å; F90-L160 HydrophobicContact CB-CD1 4Å; F90-L160 HydrophobicContact CD1-CD1 3.92Å; F90-L160 HydrophobicContact CD1-CD2 3.51Å; F90-L160 HydrophobicContact CD1-CG 4.39Å; F90-L160 HydrophobicContact CE1-CD2 3.54Å; F90-L160 HydrophobicContact CG-CD1 4.13Å; F90-L160 HydrophobicContact CG-CD2 4.3Å; F90-L160 HydrophobicContact CZ-CD2 4.31Å; F90-F188 HydrophobicContact CB-CB 4.16Å; F90-F188 HydrophobicContact CD2-CB 4.47Å; F90-A191 HydrophobicContact CD2-CB 3.78Å; F90-A191 HydrophobicContact CE2-CB 3.94Å; F90-A191 WeakPolarHBondContact CE2-O 3.41Å; F90-A191 HydrophobicContact CG-CB 4.48Å; F90-E193 HydrophobicContact CE1-CG 4.08Å
91	Y	97.2	Very high	92.1	Very high	11 Å²	11	53.7 Å²	53.7	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-39.5	170.4	-83.3	-64.6	0	0	0	112.6	E87 Y88 G95 P102 V104 M116 L118 I186 D187 F188	E87-Y91 HydrophobicContact CG-CD2 4.01Å; E87-Y91 HydrophobicContact CG-CE2 3.76Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 2.85Å; Y88-Y91 PolarHBondContact O-N 3.22Å; Y91-G95 PolarHBondContact O-N 3.05Å; Y91-P102 HydrophobicContact CE1-CG 3.74Å; Y91-V104 HydrophobicContact CD1-CG2 3.88Å; Y91-V104 HydrophobicContact CD2-CG2 4.08Å; Y91-V104 HydrophobicContact CG-CG2 3.57Å; Y91-M116 HydrophobicContact CD2-CE 4.12Å; Y91-M116 HydrophobicContact CD2-SD 4.16Å; Y91-M116 HydrophobicContact CE2-CE 3.91Å; Y91-L118 HydrophobicContact CE2-CD2 4.32Å; Y91-I186 WeakPolarHBondContact OH-CA 3.44Å; Y91-D187 PolarHBondContact OH-N 3.44Å; Y91-F188 HydrophobicContact CD1-CD2 4.27Å; Y91-F188 HydrophobicContact CD1-CE2 4.42Å; Y91-F188 AromaticContact CE1-CD2 3.68Å; Y91-F188 HydrophobicContact CE1-CD2 3.68Å; Y91-F188 AromaticContact CE1-CE2 3.74Å; Y91-F188 HydrophobicContact CE1-CE2 3.74Å; Y91-F188 HydrophobicContact CE2-CD2 4.05Å; Y91-F188 AromaticContact CZ-CD2 3.56Å
92	K	96.1	Very high	92.6	Very high	121 Å²	121	52.3 Å²	52.3	53%	0.526	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-39.7	174.4	-72.1	-62.1	-170.8	-176.2	0	113	Y88 R89 F90 G95	Y88-K92 HydrophobicContact CE1-CG 4.18Å; Y88-K92 HydrophobicContact CE2-CD 4.37Å; Y88-K92 HydrophobicContact CE2-CG 4.1Å; Y88-K92 PolarHBondContact O-N 2.97Å; Y88-K92 WeakPolarHBondContact OH-CE 3.47Å; R89-K92 WeakPolarHBondContact O-CB 3.41Å; R89-K92 PolarHBondContact O-N 3.48Å; F90-K92 VanDerWaalsContact C-N 3.27Å; F90-K92 PolarHBondContact O-N 2.8Å; K92-G95 PolarHBondContact O-N 3.34Å
93	Q	95.6	Very high	92.8	Very high	61 Å²	61	53.2 Å²	53.2	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-39.8	176.7	176.6	171.8	-16	0	0	112.7	R89 F90 G95 K158 E193	R89-Q93 PolarHBondContact O-N 2.95Å; F90-Q93 PolarHBondContact O-N 3.29Å; F90-Q93 VanDerWaalsContact O-N 3.15Å; Q93-G95 VanDerWaalsContact C-N 3.28Å; Q93-K158 PolarHBondContact NE2-O 3.33Å; Q93-E193 PolarHBondContact OE1-OE1 3.06Å
94	L	96.1	Very high	93.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-41	173.8	-69.8	164	0	0	0	110.4	F90 L101 Y154 V155 K158 L160 F188	F90-L94 WeakPolarHBondContact O-CB 3.34Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.3Å; F90-L94 PolarHBondContact O-N 3.46Å; L94-L101 HydrophobicContact CB-CD1 3.72Å; L94-L101 HydrophobicContact CD1-CD1 4.29Å; L94-L101 HydrophobicContact CD1-CD2 4.13Å; L94-L101 HydrophobicContact CD2-CD1 4.47Å; L94-L101 HydrophobicContact CG-CD1 4.38Å; L94-Y154 HydrophobicContact CB-CE1 4.46Å; L94-Y154 HydrophobicContact CD2-CD1 4.35Å; L94-Y154 HydrophobicContact CD2-CE1 4.22Å; L94-Y154 PolarHBondContact O-OH 3.39Å; L94-V155 HydrophobicContact CD2-CB 4.46Å; L94-V155 HydrophobicContact CD2-CG2 4.1Å; L94-K158 HydrophobicContact CD2-CB 3.92Å; L94-K158 HydrophobicContact CD2-CG 4.01Å; L94-K158 WeakPolarHBondContact O-CE 3.3Å; L94-L160 HydrophobicContact CD1-CD1 4.5Å; L94-L160 HydrophobicContact CD2-CD1 4.05Å; L94-L160 HydrophobicContact CG-CD1 4.01Å; L94-F188 HydrophobicContact CD1-CD1 3.85Å; L94-F188 HydrophobicContact CD1-CD2 4.12Å; L94-F188 HydrophobicContact CD1-CE1 3.49Å; L94-F188 VanDerWaalsContact CD1-CE1 3.49Å; L94-F188 HydrophobicContact CD1-CE2 3.77Å; L94-F188 HydrophobicContact CD1-CG 4.16Å; L94-F188 HydrophobicContact CD1-CZ 3.43Å; L94-F188 VanDerWaalsContact CD1-CZ 3.43Å
95	G	90.9	Very high	93.2	Very high	31 Å²	31	57.1 Å²	57.1	32%	0.32	30%	0.3	S	S	.	.			trans	80.2	175	178.1	0	0	0	0	0	112.8	Y91 K92 Q93	Y91-G95 PolarHBondContact O-N 3.05Å; K92-G95 PolarHBondContact O-N 3.34Å; Q93-G95 VanDerWaalsContact C-N 3.28Å
96	S	79.9	Confident	93.3	Very high	126 Å²	126	54.7 Å²	54.7	88%	0.881	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-4.1	-173.6	51.8	0	0	0	0	114.8
97	A	75.1	Confident	93.4	Very high	96 Å²	96	53.2 Å²	53.2	79%	0.793	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.8	-176	0	0	0	0	0	113.7	E99	A97-E99 PolarHBondContact O-N 2.84Å
98	G	83.4	Confident	93.4	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	28%	0.28	C	S	.	.	S	Bend	trans	-75.1	120.6	179.8	0	0	0	0	0	111.4	L101 Y154	G98-L101 PolarHBondContact O-N 3.25Å; G98-Y154 WeakPolarHBondContact CA-OH 3.43Å; G98-Y154 PolarHBondContact N-OH 3.43Å; G98-Y154 VanDerWaalsContact N-OH 3.14Å
99	E	93.8	Very high	93.3	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	137.8	169.3	-171.7	-165.5	-130.2	0	0	110.1	A97 L101 R151 V182	A97-E99 PolarHBondContact O-N 2.84Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-R151 VanDerWaalsContact O-CD 3.29Å; E99-R151 WeakPolarHBondContact O-CD 3.49Å; E99-R151 VanDerWaalsContact O-CZ 3.32Å; E99-R151 PolarHBondContact O-NE 3.43Å; E99-R151 PolarHBondContact O-NH1 2.9Å; E99-R151 IonicContact OE2-CZ 3.17Å; E99-R151 VanDerWaalsContact OE2-CZ 3.29Å; E99-R151 IonicContact OE2-NH1 3.35Å; E99-R151 PolarHBondContact OE2-NH1 2.77Å; E99-R151 IonicContact OE2-NH2 3.22Å; E99-R151 PolarHBondContact OE2-NH2 2.67Å; E99-V182 HydrophobicContact CG-CG1 4.08Å
100	G	95.8	Very high	93.2	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	21.9	-178.6	0	0	0	0	0	113.9	H184 I185	G100-H184 CarbonylContact O-C 3.57Å; G100-H184 WeakPolarHBondContact O-CA 3.47Å; G100-H184 WeakPolarHBondContact O-CB 3.47Å; G100-I185 PolarHBondContact O-N 3.49Å
101	L	96.7	Very high	92.9	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	31%	0.31	C	S	.	.			trans	-107.8	132.7	163.6	-69.4	173.6	0	0	0	109.7	L94 G98 E99 Y154 I185 F188	L94-L101 HydrophobicContact CB-CD1 3.72Å; L94-L101 HydrophobicContact CD1-CD1 4.29Å; L94-L101 HydrophobicContact CD1-CD2 4.13Å; L94-L101 HydrophobicContact CD2-CD1 4.47Å; L94-L101 HydrophobicContact CG-CD1 4.38Å; G98-L101 PolarHBondContact O-N 3.25Å; E99-L101 VanDerWaalsContact C-N 3.33Å; L101-Y154 HydrophobicContact CD1-CD1 3.98Å; L101-Y154 HydrophobicContact CD1-CE1 3.48Å; L101-Y154 VanDerWaalsContact CD1-CE1 3.48Å; L101-I185 HydrophobicContact CD2-CG2 3.6Å; L101-F188 HydrophobicContact CD2-CE2 3.84Å; L101-F188 HydrophobicContact CD2-CZ 3.76Å
102	P	95.2	Very high	92.7	Very high	7 Å²	7	59 Å²	59	5%	0.045	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-65.8	142.2	174.2	29.4	-36.3	0	0	0	110.3	Y91 V104 E119 L121 I185 I186	Y91-P102 HydrophobicContact CE1-CG 3.74Å; P102-V104 PolarHBondContact O-N 2.87Å; P102-E119 HydrophobicContact CB-CB 4Å; P102-L121 HydrophobicContact CB-CD1 4.23Å; P102-I185 WeakPolarHBondContact CD-O 3.37Å; P102-I186 HydrophobicContact CG-CG2 4.05Å
103	Q	94.5	Very high	92.6	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.7	135.7	171.7	-171.9	171.5	6.3	0	0	111	Y105 L118 E119	Q103-Y105 HydrophobicContact CB-CE1 4.07Å; Q103-Y105 HydrophobicContact CG-CD1 4Å; Q103-Y105 HydrophobicContact CG-CE1 3.64Å; Q103-Y105 VanDerWaalsContact OE1-CE1 3.27Å; Q103-L118 CarbonylContact O-C 3.56Å; Q103-L118 VanDerWaalsContact O-CA 3.32Å; Q103-L118 WeakPolarHBondContact O-CA 3.48Å; Q103-E119 HydrophobicContact CB-CB 4.23Å; Q103-E119 PolarHBondContact N-OE2 3.01Å; Q103-E119 VanDerWaalsContact N-OE2 3.09Å; Q103-E119 PolarHBondContact O-N 3.05Å
104	V	95.8	Very high	92.6	Very high	27 Å²	27	54.7 Å²	54.7	16%	0.164	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118	170.5	-171.4	0	0	0	0	109.6	Y88 Y91 P102 M116 L118	Y88-V104 HydrophobicContact CD2-CG1 3.85Å; Y88-V104 HydrophobicContact CE2-CG1 3.87Å; Y91-V104 HydrophobicContact CD1-CG2 3.88Å; Y91-V104 HydrophobicContact CD2-CG2 4.08Å; Y91-V104 HydrophobicContact CG-CG2 3.57Å; P102-V104 PolarHBondContact O-N 2.87Å; V104-M116 HydrophobicContact CG1-CG 4.14Å; V104-M116 HydrophobicContact CG1-SD 4.42Å; V104-L118 HydrophobicContact CB-CD2 4.1Å; V104-L118 HydrophobicContact CG1-CD2 4.04Å; V104-L118 HydrophobicContact CG2-CD2 3.52Å
105	Y	96.1	Very high	92.6	Very high	78 Å²	78	54.6 Å²	54.6	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-38.1	-177.3	-57.5	-64.3	0	0	0	112.8	V70 Q103 V117 E119	V70-Y105 HydrophobicContact CG1-CD2 3.95Å; V70-Y105 HydrophobicContact CG1-CE2 3.79Å; Q103-Y105 HydrophobicContact CB-CE1 4.07Å; Q103-Y105 HydrophobicContact CG-CD1 4Å; Q103-Y105 HydrophobicContact CG-CE1 3.64Å; Q103-Y105 VanDerWaalsContact OE1-CE1 3.27Å; Y105-V117 HydrophobicContact CD2-CG1 4.16Å; Y105-V117 PolarHBondContact N-O 2.98Å; Y105-E119 HydrophobicContact CE2-CB 4.32Å; Y105-E119 VanDerWaalsContact CE2-N 3.35Å
106	Y	96.9	Very high	92.9	Very high	68 Å²	68	53.1 Å²	53.1	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	147.8	-172.7	-178.6	-94.7	0	0	0	111.8	V40 F44 M116 V117	V40-Y106 HydrophobicContact CG1-CD1 3.51Å; V40-Y106 HydrophobicContact CG1-CE1 3.57Å; F44-Y106 HydrophobicContact CE2-CG 4.46Å; Y106-M116 CarbonylContact O-C 3.57Å; Y106-M116 WeakPolarHBondContact O-CA 3.46Å; Y106-V117 HydrophobicContact CD1-CG2 4.16Å; Y106-V117 PolarHBondContact N-O 3.36Å; Y106-V117 PolarHBondContact O-N 2.81Å
107	F	96.9	Very high	93.8	Very high	42 Å²	42	47.1 Å²	47.1	18%	0.184	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.6	164.7	175.3	-91.9	0	0	0	108.9	L84 H85 Y88 N114 A115 M116	L84-F107 HydrophobicContact CB-CE2 4.43Å; L84-F107 HydrophobicContact CD2-CE2 4.25Å; L84-F107 HydrophobicContact CG-CE2 3.99Å; H85-F107 HydrophobicContact CB-CE1 4.41Å; H85-F107 HydrophobicContact CB-CE2 4.43Å; H85-F107 HydrophobicContact CB-CZ 3.75Å; H85-F107 AromaticContact ND1-CE1 3.25Å; H85-F107 VanDerWaalsContact ND1-CE1 3.25Å; H85-F107 WeakPolarHBondContact ND1-CE1 3.22Å; H85-F107 AromaticContact ND1-CZ 3.51Å; Y88-F107 HydrophobicContact CD1-CB 3.92Å; Y88-F107 AromaticContact CD1-CD1 3.91Å; Y88-F107 HydrophobicContact CD1-CD1 3.91Å; Y88-F107 HydrophobicContact CD1-CD2 4.43Å; Y88-F107 AromaticContact CD1-CG 3.82Å; Y88-F107 HydrophobicContact CD1-CG 3.82Å; Y88-F107 HydrophobicContact CD2-CB 3.42Å; Y88-F107 VanDerWaalsContact CD2-CB 3.42Å; Y88-F107 HydrophobicContact CD2-CD2 4.37Å; Y88-F107 AromaticContact CD2-CG 3.99Å; Y88-F107 HydrophobicContact CD2-CG 3.99Å; Y88-F107 HydrophobicContact CE1-CB 3.97Å; Y88-F107 HydrophobicContact CE1-CD1 4.2Å; Y88-F107 HydrophobicContact CE1-CG 4.24Å; Y88-F107 HydrophobicContact CE2-CB 3.49Å; Y88-F107 VanDerWaalsContact CE2-CB 3.49Å; Y88-F107 HydrophobicContact CE2-CG 4.4Å; Y88-F107 HydrophobicContact CG-CB 3.63Å; Y88-F107 HydrophobicContact CG-CD1 4.23Å; Y88-F107 AromaticContact CG-CD2 3.95Å; Y88-F107 HydrophobicContact CG-CD2 3.95Å; Y88-F107 AromaticContact CG-CG 3.66Å; Y88-F107 HydrophobicContact CG-CG 3.66Å; F107-N114 HydrophobicContact CZ-CB 4.49Å; F107-A115 VanDerWaalsContact CA-O 3.32Å; F107-A115 WeakPolarHBondContact CA-O 3.38Å; F107-M116 HydrophobicContact CD2-CB 4.11Å; F107-M116 HydrophobicContact CD2-CG 4.46Å
108	G	95.9	Very high	94.8	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172	-178	-179.9	0	0	0	0	0	113.7	A115	G108-A115 PolarHBondContact N-O 3.5Å; G108-A115 PolarHBondContact O-N 2.82Å
109	P	94.5	Very high	95.3	Very high	91 Å²	91	44.1 Å²	44.1	59%	0.591	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	148	-178.4	30.2	-34.8	0	0	0	112.4
110	C	93.3	Very high	95.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	88.7	174.1	176.8	0	0	0	0	109.5	M39 V40 L74 K112 Y113 A115	M39-C110 PolarHBondContact O-SG 2.84Å; V40-C110 HydrophobicContact CG2-CB 3.78Å; V40-C110 VanDerWaalsContact CG2-SG 3.5Å; L74-C110 HydrophobicContact CD2-CB 4.31Å; C110-K112 PolarHBondContact O-N 3.39Å; C110-K112 VanDerWaalsContact O-N 3.15Å; C110-Y113 PolarHBondContact N-O 3.17Å; C110-Y113 PolarHBondContact O-N 2.83Å; C110-A115 HydrophobicContact CB-CB 3.72Å
111	G	90.8	Very high	95.4	Very high	72 Å²	72	39.4 Å²	39.4	74%	0.742	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	-116.7	-174.2	0	0	0	0	0	111.4	Y113	G111-Y113 VanDerWaalsContact C-N 3.31Å
112	K	92.8	Very high	95.3	Very high	151 Å²	151	39.6 Å²	39.6	66%	0.657	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	11.1	178.8	66.4	-179.9	178.9	178.5	0	114.5	I77 C110	I77-K112 PolarHBondContact N-O 3.18Å; C110-K112 PolarHBondContact O-N 3.39Å; C110-K112 VanDerWaalsContact O-N 3.15Å
113	Y	94.9	Very high	95.3	Very high	50 Å²	50	40.1 Å²	40.1	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.8	-176.3	-58.2	-91.6	0	0	0	111.3	L74 E75 P76 C110 G111	L74-Y113 HydrophobicContact CB-CD1 4.04Å; L74-Y113 HydrophobicContact CB-CG 4.26Å; E75-Y113 CarbonylContact O-C 3.56Å; E75-Y113 WeakPolarHBondContact O-CA 3.31Å; E75-Y113 WeakPolarHBondContact O-CB 3.44Å; P76-Y113 HydrophobicContact CB-CD1 4.42Å; P76-Y113 HydrophobicContact CB-CE1 4.49Å; P76-Y113 HydrophobicContact CG-CD1 4.16Å; P76-Y113 HydrophobicContact CG-CE1 3.98Å; C110-Y113 PolarHBondContact N-O 3.17Å; C110-Y113 PolarHBondContact O-N 2.83Å; G111-Y113 VanDerWaalsContact C-N 3.31Å
114	N	95.3	Very high	95.4	Very high	41 Å²	41	35.3 Å²	35.3	22%	0.219	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.7	150.9	-65.9	-44.3	0	0	0	108.2	L74 E75 L84 F107	L74-N114 WeakPolarHBondContact CA-O 3.22Å; E75-N114 PolarHBondContact N-O 3.06Å; E75-N114 PolarHBondContact O-N 3.15Å; L84-N114 HydrophobicContact CD2-CB 4.12Å; L84-N114 WeakPolarHBondContact CD2-O 3.5Å; F107-N114 HydrophobicContact CZ-CB 4.49Å
115	A	96.8	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.5	-177.6	0	0	0	0	0	111	V40 K73 L74 F107 G108 C110	V40-A115 HydrophobicContact CB-CB 4.38Å; V40-A115 HydrophobicContact CG1-CB 3.61Å; V40-A115 HydrophobicContact CG2-CB 3.77Å; K73-A115 WeakPolarHBondContact O-CA 3.43Å; L74-A115 HydrophobicContact CD2-CB 3.51Å; F107-A115 VanDerWaalsContact CA-O 3.32Å; F107-A115 WeakPolarHBondContact CA-O 3.38Å; G108-A115 PolarHBondContact N-O 3.5Å; G108-A115 PolarHBondContact O-N 2.82Å; C110-A115 HydrophobicContact CB-CB 3.72Å
116	M	97	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.5	169.7	-172.3	164.8	64.3	0	0	109	I72 K73 L84 E87 Y88 Y91 V104 Y106 F107 L118	I72-M116 WeakPolarHBondContact CA-O 3.38Å; K73-M116 HydrophobicContact CD-CE 4.38Å; K73-M116 PolarHBondContact N-O 3.12Å; K73-M116 PolarHBondContact O-N 3.43Å; L84-M116 HydrophobicContact CD1-CB 3.94Å; L84-M116 HydrophobicContact CD1-CE 3.73Å; L84-M116 HydrophobicContact CD1-SD 4.5Å; L84-M116 HydrophobicContact CD2-CB 4.17Å; L84-M116 HydrophobicContact CG-CB 4.12Å; E87-M116 HydrophobicContact CG-CE 3.86Å; Y88-M116 HydrophobicContact CD2-SD 4.21Å; Y91-M116 HydrophobicContact CD2-CE 4.12Å; Y91-M116 HydrophobicContact CD2-SD 4.16Å; Y91-M116 HydrophobicContact CE2-CE 3.91Å; V104-M116 HydrophobicContact CG1-CG 4.14Å; V104-M116 HydrophobicContact CG1-SD 4.42Å; Y106-M116 CarbonylContact O-C 3.57Å; Y106-M116 WeakPolarHBondContact O-CA 3.46Å; F107-M116 HydrophobicContact CD2-CB 4.11Å; F107-M116 HydrophobicContact CD2-CG 4.46Å; M116-L118 HydrophobicContact CE-CD1 3.87Å; M116-L118 HydrophobicContact CE-CD2 4.08Å; M116-L118 HydrophobicContact CE-CG 4.31Å; M116-L118 HydrophobicContact CG-CD2 3.95Å; M116-L118 HydrophobicContact CG-CG 4.1Å; M116-L118 HydrophobicContact SD-CD2 4.13Å
117	V	97.5	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.6	179.7	-170.5	0	0	0	0	109	V40 F44 V70 A71 I72 Y105 Y106	V40-V117 HydrophobicContact CB-CG2 4.28Å; V40-V117 HydrophobicContact CG1-CG2 3.66Å; F44-V117 HydrophobicContact CB-CG2 4.36Å; F44-V117 HydrophobicContact CD1-CG1 3.68Å; F44-V117 HydrophobicContact CD2-CG1 4.32Å; F44-V117 HydrophobicContact CD2-CG2 4.02Å; F44-V117 HydrophobicContact CE1-CG1 3.81Å; F44-V117 HydrophobicContact CE2-CG1 4.45Å; F44-V117 HydrophobicContact CG-CG1 3.93Å; F44-V117 HydrophobicContact CG-CG2 4.11Å; F44-V117 HydrophobicContact CZ-CG1 4.2Å; V70-V117 HydrophobicContact CB-CG1 3.81Å; V70-V117 HydrophobicContact CG1-CG1 4.22Å; V70-V117 HydrophobicContact CG2-CG1 3.64Å; A71-V117 WeakPolarHBondContact O-CA 3.42Å; I72-V117 HydrophobicContact CG1-CG1 4.31Å; I72-V117 HydrophobicContact CG1-CG2 4.31Å; Y105-V117 HydrophobicContact CD2-CG1 4.16Å; Y105-V117 PolarHBondContact N-O 2.98Å; Y106-V117 HydrophobicContact CD1-CG2 4.16Å; Y106-V117 PolarHBondContact N-O 3.36Å; Y106-V117 PolarHBondContact O-N 2.81Å
118	L	96.1	Very high	95.7	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.8	-171.1	-58.6	164.3	0	0	0	110.6	V70 A71 Y91 Q103 V104 M116 L120	V70-L118 WeakPolarHBondContact CB-O 3.11Å; A71-L118 HydrophobicContact CB-CB 4.41Å; A71-L118 PolarHBondContact N-O 3.11Å; A71-L118 PolarHBondContact O-N 3.28Å; Y91-L118 HydrophobicContact CE2-CD2 4.32Å; Q103-L118 CarbonylContact O-C 3.56Å; Q103-L118 VanDerWaalsContact O-CA 3.32Å; Q103-L118 WeakPolarHBondContact O-CA 3.48Å; V104-L118 HydrophobicContact CB-CD2 4.1Å; V104-L118 HydrophobicContact CG1-CD2 4.04Å; V104-L118 HydrophobicContact CG2-CD2 3.52Å; M116-L118 HydrophobicContact CE-CD1 3.87Å; M116-L118 HydrophobicContact CE-CD2 4.08Å; M116-L118 HydrophobicContact CE-CG 4.31Å; M116-L118 HydrophobicContact CG-CD2 3.95Å; M116-L118 HydrophobicContact CG-CG 4.1Å; M116-L118 HydrophobicContact SD-CD2 4.13Å; L118-L120 PolarHBondContact O-N 3.28Å
119	E	95.4	Very high	95.8	Very high	26 Å²	26	30.1 Å²	30.1	12%	0.121	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	130.5	163.9	-176.6	174.2	-178.1	0	0	110.3	P102 Q103 Y105 L121	P102-E119 HydrophobicContact CB-CB 4Å; Q103-E119 HydrophobicContact CB-CB 4.23Å; Q103-E119 PolarHBondContact N-OE2 3.01Å; Q103-E119 VanDerWaalsContact N-OE2 3.09Å; Q103-E119 PolarHBondContact O-N 3.05Å; Y105-E119 HydrophobicContact CE2-CB 4.32Å; Y105-E119 VanDerWaalsContact CE2-N 3.35Å; E119-L121 HydrophobicContact CG-CD2 4.19Å; E119-L121 PolarHBondContact O-N 3.16Å
120	L	95.6	Very high	96	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.063	17%	0.169	C	C	.	.			trans	-78.6	120.4	171.6	-176.8	68.1	0	0	0	108.7	I50 L60 A71 L118 R174 V337	I50-L120 HydrophobicContact CD1-CD1 4.14Å; L60-L120 HydrophobicContact CD1-CD1 4.29Å; L60-L120 HydrophobicContact CD1-CD2 3.59Å; A71-L120 HydrophobicContact CB-CD1 4.09Å; L118-L120 PolarHBondContact O-N 3.28Å; L120-R174 WeakPolarHBondContact O-CD 3.39Å; L120-R174 WeakPolarHBondContact O-CG 3.31Å; L120-V337 HydrophobicContact CD2-CG2 4.05Å
121	L	95.3	Very high	96.1	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.079	18%	0.179	C	C	.	.			trans	-96.6	178	177.2	-62.3	177.2	0	0	0	111.9	P102 E119 L171 H184 I186	P102-L121 HydrophobicContact CB-CD1 4.23Å; E119-L121 HydrophobicContact CG-CD2 4.19Å; E119-L121 PolarHBondContact O-N 3.16Å; L121-L171 HydrophobicContact CB-CB 4.05Å; L121-L171 HydrophobicContact CB-CD2 3.9Å; L121-L171 HydrophobicContact CD1-CB 3.95Å; L121-L171 HydrophobicContact CD1-CD2 4.24Å; L121-H184 HydrophobicContact CD1-CB 3.64Å; L121-H184 HydrophobicContact CD2-CB 4.4Å; L121-I186 HydrophobicContact CD1-CG2 3.66Å
122	G	95.1	Very high	96.5	Very high	18 Å²	18	28.4 Å²	28.4	19%	0.186	15%	0.145	C	C	.	.			trans	-79.8	-163.1	171.9	0	0	0	0	0	112.8	I172	G122-I172 WeakPolarHBondContact CA-O 3.38Å; G122-I172 PolarHBondContact N-O 3.41Å
123	P	95.1	Very high	96.7	Very high	18 Å²	18	27.1 Å²	27.1	12%	0.117	15%	0.146	C	C	.	.			trans	-63.9	157.8	175.8	30.1	-39.5	0	0	0	112.7	D127 L128 L171 I172 I333	P123-D127 HydrophobicContact CB-CB 3.86Å; P123-L128 HydrophobicContact CB-CD2 4.25Å; P123-L128 HydrophobicContact CB-CG 4.19Å; P123-L128 HydrophobicContact CG-CD1 4.24Å; P123-L128 HydrophobicContact CG-CD2 3.6Å; P123-L128 HydrophobicContact CG-CG 3.88Å; P123-L171 WeakPolarHBondContact O-CA 3.46Å; P123-I172 HydrophobicContact CG-CD1 3.83Å; P123-I172 HydrophobicContact CG-CG1 3.84Å; P123-I172 PolarHBondContact O-N 3.49Å; P123-I172 VanDerWaalsContact O-N 3.09Å; P123-I333 HydrophobicContact CB-CG2 4.36Å; P123-I333 HydrophobicContact CG-CG2 3.57Å
124	S	96.9	Very high	96.9	Very high	8 Å²	8	28.7 Å²	28.7	6%	0.056	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-75.8	164.7	171.7	70.4	0	0	0	0	112	E126 D127 L128 F170	S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.89Å; S124-D127 WeakPolarHBondContact CB-OD2 3.22Å; S124-D127 PolarHBondContact N-OD2 3.26Å; S124-D127 PolarHBondContact O-N 3.43Å; S124-D127 PolarHBondContact OG-N 2.92Å; S124-D127 PolarHBondContact OG-OD2 2.78Å; S124-L128 VanDerWaalsContact O-CG 3.3Å; S124-L128 WeakPolarHBondContact O-CG 3.45Å; S124-L128 PolarHBondContact O-N 3.4Å; S124-F170 CarbonylContact C-O 3.53Å; S124-F170 VanDerWaalsContact CA-O 3.28Å; S124-F170 WeakPolarHBondContact CA-O 3.25Å
125	L	98.5	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-27.7	172.6	-67.1	-175	0	0	0	111.7	L128 F129 I144 L148 P167 F170 I183 F244 W328	L125-L128 HydrophobicContact CD2-CD1 4.24Å; L125-F129 WeakPolarHBondContact O-CB 3.23Å; L125-F129 PolarHBondContact O-N 3.07Å; L125-I144 HydrophobicContact CD1-CG2 3.79Å; L125-I144 HydrophobicContact CD2-CD1 4.25Å; L125-L148 HydrophobicContact CD1-CD1 4.3Å; L125-P167 HydrophobicContact CB-CB 4.22Å; L125-P167 PolarHBondContact N-O 2.72Å; L125-F170 HydrophobicContact CD1-CB 3.64Å; L125-F170 HydrophobicContact CD1-CG 4.41Å; L125-F170 HydrophobicContact CG-CB 3.84Å; L125-F170 PolarHBondContact N-O 3.45Å; L125-I183 HydrophobicContact CD1-CG2 4.37Å; L125-F244 HydrophobicContact CB-CE1 4.43Å; L125-F244 HydrophobicContact CB-CZ 3.86Å; L125-F244 HydrophobicContact CD1-CE2 4.15Å; L125-F244 HydrophobicContact CD1-CZ 4.04Å; L125-W328 HydrophobicContact CD2-CH2 4.12Å
126	E	97.9	Very high	97.1	Very high	21 Å²	21	30.8 Å²	30.8	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-68.1	-44.7	172.3	-167.3	63.1	-165.2	0	0	111.1	S124 L128 F129 D130 R134 P167 E168 Y243	S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.89Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 2.93Å; E126-F129 WeakPolarHBondContact O-CB 3.3Å; E126-F129 PolarHBondContact O-N 3.38Å; E126-F129 VanDerWaalsContact O-N 3.12Å; E126-D130 PolarHBondContact O-N 3.04Å; E126-R134 IonicContact OE1-CZ 2.77Å; E126-R134 IonicContact OE1-NH1 3.96Å; E126-R134 PolarHBondContact OE1-NH1 2.92Å; E126-R134 IonicContact OE1-NH2 2.67Å; E126-P167 HydrophobicContact CB-CB 3.88Å; E126-P167 WeakPolarHBondContact OE2-CB 3.22Å; E126-E168 HydrophobicContact CB-CG 3.96Å; E126-E168 HydrophobicContact CG-CG 4.3Å; E126-Y243 PolarHBondContact OE1-OH 3.17Å; E126-Y243 WeakPolarHBondContact OE2-CE1 3.36Å; E126-Y243 PolarHBondContact OE2-OH 2.73Å; E126-Y243 VanDerWaalsContact OE2-OH 3.07Å
127	D	96.7	Very high	97.2	Very high	91 Å²	91	34.1 Å²	34.1	49%	0.487	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-41.4	177.8	-60.1	-53.5	0	0	0	111.1	P123 S124 F129 L131	P123-D127 HydrophobicContact CB-CB 3.86Å; S124-D127 WeakPolarHBondContact CB-OD2 3.22Å; S124-D127 PolarHBondContact N-OD2 3.26Å; S124-D127 PolarHBondContact O-N 3.43Å; S124-D127 PolarHBondContact OG-N 2.92Å; S124-D127 PolarHBondContact OG-OD2 2.78Å; D127-F129 VanDerWaalsContact C-N 3.34Å; D127-L131 WeakPolarHBondContact O-CB 3.44Å; D127-L131 PolarHBondContact O-N 3.42Å
128	L	97.9	Very high	97.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-32.9	177.1	-66.3	170.8	0	0	0	111.9	P123 S124 L125 E126 L131 C132 F136 I172 W328 I333	P123-L128 HydrophobicContact CB-CD2 4.25Å; P123-L128 HydrophobicContact CB-CG 4.19Å; P123-L128 HydrophobicContact CG-CD1 4.24Å; P123-L128 HydrophobicContact CG-CD2 3.6Å; P123-L128 HydrophobicContact CG-CG 3.88Å; S124-L128 VanDerWaalsContact O-CG 3.3Å; S124-L128 WeakPolarHBondContact O-CG 3.45Å; S124-L128 PolarHBondContact O-N 3.4Å; L125-L128 HydrophobicContact CD2-CD1 4.24Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 2.93Å; L128-L131 HydrophobicContact CD2-CD2 4.43Å; L128-L131 WeakPolarHBondContact O-CB 3.18Å; L128-L131 PolarHBondContact O-N 3.37Å; L128-C132 WeakPolarHBondContact O-CB 3.17Å; L128-C132 PolarHBondContact O-N 2.58Å; L128-C132 VanDerWaalsContact O-N 3.07Å; L128-C132 PolarHBondContact O-SG 2.99Å; L128-C132 VanDerWaalsContact O-SG 3.42Å; L128-F136 HydrophobicContact CB-CZ 4.16Å; L128-I172 HydrophobicContact CD1-CD1 4.02Å; L128-I172 HydrophobicContact CD1-CG1 4.12Å; L128-I172 HydrophobicContact CD1-CG2 3.76Å; L128-I172 HydrophobicContact CD2-CD1 4.47Å; L128-W328 HydrophobicContact CB-CD2 4.14Å; L128-W328 HydrophobicContact CB-CE3 3.92Å; L128-W328 HydrophobicContact CB-CZ3 4.38Å; L128-W328 HydrophobicContact CD1-CD2 3.88Å; L128-W328 HydrophobicContact CD1-CE3 4.19Å; L128-W328 HydrophobicContact CD1-CG 4.39Å; L128-W328 HydrophobicContact CD1-CH2 4.19Å; L128-W328 HydrophobicContact CD1-CZ2 3.88Å; L128-W328 HydrophobicContact CD1-CZ3 4.33Å; L128-W328 HydrophobicContact CD2-CB 3.94Å; L128-W328 HydrophobicContact CD2-CD2 4.02Å; L128-W328 HydrophobicContact CD2-CG 3.69Å; L128-W328 HydrophobicContact CG-CD2 4.23Å; L128-W328 HydrophobicContact CG-CE3 4.47Å; L128-W328 HydrophobicContact CG-CG 4.41Å; L128-I333 HydrophobicContact CD2-CD1 4.16Å
129	F	98.4	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-44	176	-173.4	-122.6	0	0	0	111.4	L125 E126 D127 L131 C132 D133 R134 T135 F136 Y243 F244	L125-F129 WeakPolarHBondContact O-CB 3.23Å; L125-F129 PolarHBondContact O-N 3.07Å; E126-F129 WeakPolarHBondContact O-CB 3.3Å; E126-F129 PolarHBondContact O-N 3.38Å; E126-F129 VanDerWaalsContact O-N 3.12Å; D127-F129 VanDerWaalsContact C-N 3.34Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.49Å; F129-C132 CarbonylContact O-C 3.56Å; F129-C132 PolarHBondContact O-N 2.67Å; F129-C132 VanDerWaalsContact O-N 3.13Å; F129-D133 PolarHBondContact O-N 2.69Å; F129-R134 HydrophobicContact CD1-CB 4.12Å; F129-R134 HydrophobicContact CD1-CG 4.28Å; F129-R134 HydrophobicContact CE1-CB 3.84Å; F129-R134 HydrophobicContact CE1-CG 4.4Å; F129-R134 WeakPolarHBondContact CE2-O 3.38Å; F129-R134 HydrophobicContact CZ-CB 4.24Å; F129-R134 WeakPolarHBondContact CZ-O 3.49Å; F129-R134 VanDerWaalsContact O-CA 3.26Å; F129-R134 WeakPolarHBondContact O-CA 3.41Å; F129-R134 PolarHBondContact O-N 3.33Å; F129-T135 VanDerWaalsContact CE2-CA 3.46Å; F129-F136 HydrophobicContact CB-CE1 4.38Å; F129-F136 HydrophobicContact CB-CE2 4.04Å; F129-F136 HydrophobicContact CB-CZ 3.75Å; F129-F136 HydrophobicContact CD2-CD1 4.14Å; F129-F136 AromaticContact CD2-CD2 3.83Å; F129-F136 HydrophobicContact CD2-CD2 3.83Å; F129-F136 HydrophobicContact CD2-CE1 4.11Å; F129-F136 AromaticContact CD2-CE2 3.78Å; F129-F136 HydrophobicContact CD2-CE2 3.78Å; F129-F136 HydrophobicContact CD2-CG 4Å; F129-F136 AromaticContact CD2-CZ 3.93Å; F129-F136 HydrophobicContact CD2-CZ 3.93Å; F129-F136 HydrophobicContact CE2-CD2 4.37Å; F129-F136 HydrophobicContact CE2-CG 4.41Å; F129-F136 HydrophobicContact CG-CE2 4.38Å; F129-F136 HydrophobicContact CG-CZ 4.38Å; F129-Y243 AromaticContact CD1-CE1 3.86Å; F129-Y243 HydrophobicContact CD1-CE1 3.86Å; F129-Y243 AromaticContact CD1-CZ 3.99Å; F129-Y243 HydrophobicContact CE1-CD1 4.29Å; F129-Y243 AromaticContact CE1-CE1 3.57Å; F129-Y243 HydrophobicContact CE1-CE1 3.57Å; F129-Y243 HydrophobicContact CE1-CE2 4.15Å; F129-Y243 AromaticContact CE1-CZ 3.51Å; F129-Y243 HydrophobicContact CZ-CD1 4.49Å; F129-Y243 HydrophobicContact CZ-CE1 4.2Å; F129-F244 HydrophobicContact CB-CE1 4.4Å; F129-F244 AromaticContact CD2-CD1 3.75Å; F129-F244 HydrophobicContact CD2-CD1 3.75Å; F129-F244 HydrophobicContact CD2-CE1 4.41Å; F129-F244 HydrophobicContact CE2-CB 4.27Å; F129-F244 AromaticContact CE2-CD1 3.85Å; F129-F244 HydrophobicContact CE2-CD1 3.85Å; F129-F244 WeakPolarHBondContact CE2-O 3.22Å; F129-F244 HydrophobicContact CG-CD1 4.08Å; F129-F244 HydrophobicContact CG-CE1 4.35Å; F129-F244 HydrophobicContact CZ-CD1 4.26Å
130	D	97.9	Very high	97.5	Very high	80 Å²	80	35.3 Å²	35.3	43%	0.428	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-39.5	172.2	-76.9	-23.8	0	0	0	111.7	E126 C132 D133 R134	E126-D130 PolarHBondContact O-N 3.04Å; D130-C132 PolarHBondContact O-N 3.46Å; D130-D133 PolarHBondContact O-N 2.74Å; D130-R134 WeakPolarHBondContact OD1-CD 3.15Å; D130-R134 WeakPolarHBondContact OD1-CG 3.29Å; D130-R134 IonicContact OD1-CZ 2.9Å; D130-R134 IonicContact OD1-NE 3.87Å; D130-R134 IonicContact OD1-NH1 3.11Å; D130-R134 PolarHBondContact OD1-NH1 3.04Å
131	L	97.3	Very high	97.7	Very high	44 Å²	44	34.7 Å²	34.7	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-25.8	175.2	-177.1	62.7	0	0	0	113.4	D127 L128 F129 W328 R331 I333	D127-L131 WeakPolarHBondContact O-CB 3.44Å; D127-L131 PolarHBondContact O-N 3.42Å; L128-L131 HydrophobicContact CD2-CD2 4.43Å; L128-L131 WeakPolarHBondContact O-CB 3.18Å; L128-L131 PolarHBondContact O-N 3.37Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.49Å; L131-W328 HydrophobicContact CD2-CB 4.28Å; L131-R331 HydrophobicContact CD1-CB 4.32Å; L131-R331 HydrophobicContact CD2-CB 3.88Å; L131-R331 HydrophobicContact CG-CB 4.13Å; L131-R331 PolarHBondContact O-NH1 2.89Å; L131-I333 HydrophobicContact CD2-CG1 4.22Å
132	C	97.7	Very high	97.9	Very high	5 Å²	5	34 Å²	34	3%	0.034	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	30.2	178.6	-68.6	0	0	0	0	112.4	L128 F129 D130 R134 T135 F136 D327	L128-C132 WeakPolarHBondContact O-CB 3.17Å; L128-C132 PolarHBondContact O-N 2.58Å; L128-C132 VanDerWaalsContact O-N 3.07Å; L128-C132 PolarHBondContact O-SG 2.99Å; L128-C132 VanDerWaalsContact O-SG 3.42Å; F129-C132 CarbonylContact O-C 3.56Å; F129-C132 PolarHBondContact O-N 2.67Å; F129-C132 VanDerWaalsContact O-N 3.13Å; D130-C132 PolarHBondContact O-N 3.46Å; C132-R134 PolarHBondContact O-N 3.02Å; C132-R134 VanDerWaalsContact O-N 3.11Å; C132-T135 PolarHBondContact O-N 3.4Å; C132-T135 VanDerWaalsContact O-O 3.08Å; C132-F136 HydrophobicContact CB-CD1 3.86Å; C132-F136 HydrophobicContact CB-CE1 3.63Å; C132-D327 HydrophobicContact CB-CB 4.47Å; C132-D327 VanDerWaalsContact SG-C 3.59Å
133	D	97.5	Very high	98.1	Very high	124 Å²	124	33.1 Å²	33.1	66%	0.663	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	29.8	173.8	-51.2	-68.2	0	0	0	112.5	F129 D130 T135 R331	F129-D133 PolarHBondContact O-N 2.69Å; D130-D133 PolarHBondContact O-N 2.74Å; D133-T135 VanDerWaalsContact C-N 3.29Å; D133-T135 PolarHBondContact O-N 3.34Å; D133-R331 IonicContact OD2-NH1 3.13Å; D133-R331 PolarHBondContact OD2-NH1 2.95Å; D133-R331 VanDerWaalsContact OD2-NH1 3.13Å; D133-R331 IonicContact OD2-NH2 3.99Å
134	R	98.1	Very high	98.2	Very high	84 Å²	84	32.3 Å²	32.3	32%	0.317	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	35.2	176.3	-58.1	-176.2	56.4	74.6	11.2	114.1	E126 F129 D130 C132 Y243 G247	E126-R134 IonicContact OE1-CZ 2.77Å; E126-R134 IonicContact OE1-NH1 3.96Å; E126-R134 PolarHBondContact OE1-NH1 2.92Å; E126-R134 IonicContact OE1-NH2 2.67Å; F129-R134 HydrophobicContact CD1-CB 4.12Å; F129-R134 HydrophobicContact CD1-CG 4.28Å; F129-R134 HydrophobicContact CE1-CB 3.84Å; F129-R134 HydrophobicContact CE1-CG 4.4Å; F129-R134 WeakPolarHBondContact CE2-O 3.38Å; F129-R134 HydrophobicContact CZ-CB 4.24Å; F129-R134 WeakPolarHBondContact CZ-O 3.49Å; F129-R134 VanDerWaalsContact O-CA 3.26Å; F129-R134 WeakPolarHBondContact O-CA 3.41Å; F129-R134 PolarHBondContact O-N 3.33Å; D130-R134 WeakPolarHBondContact OD1-CD 3.15Å; D130-R134 WeakPolarHBondContact OD1-CG 3.29Å; D130-R134 IonicContact OD1-CZ 2.9Å; D130-R134 IonicContact OD1-NE 3.87Å; D130-R134 IonicContact OD1-NH1 3.11Å; D130-R134 PolarHBondContact OD1-NH1 3.04Å; C132-R134 PolarHBondContact O-N 3.02Å; C132-R134 VanDerWaalsContact O-N 3.11Å; R134-Y243 PolarHBondContact NH2-OH 3.34Å; R134-G247 WeakPolarHBondContact O-CA 3.49Å
135	T	98.4	Very high	98.3	Very high	75 Å²	75	31.9 Å²	31.9	46%	0.46	17%	0.167	S	C	.	.			trans	-145	142.7	163.6	52.5	0	0	0	0	109.2	F129 C132 D133	F129-T135 VanDerWaalsContact CE2-CA 3.46Å; C132-T135 PolarHBondContact O-N 3.4Å; C132-T135 VanDerWaalsContact O-O 3.08Å; D133-T135 VanDerWaalsContact C-N 3.29Å; D133-T135 PolarHBondContact O-N 3.34Å
136	F	98.8	Very high	98.3	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.039	17%	0.172	C	C	.	.			trans	-111.9	147.3	169.5	-71.4	-34.9	0	0	0	111	L128 F129 C132 T140 V141 I144 F244 D327 W328	L128-F136 HydrophobicContact CB-CZ 4.16Å; F129-F136 HydrophobicContact CB-CE1 4.38Å; F129-F136 HydrophobicContact CB-CE2 4.04Å; F129-F136 HydrophobicContact CB-CZ 3.75Å; F129-F136 HydrophobicContact CD2-CD1 4.14Å; F129-F136 AromaticContact CD2-CD2 3.83Å; F129-F136 HydrophobicContact CD2-CD2 3.83Å; F129-F136 HydrophobicContact CD2-CE1 4.11Å; F129-F136 AromaticContact CD2-CE2 3.78Å; F129-F136 HydrophobicContact CD2-CE2 3.78Å; F129-F136 HydrophobicContact CD2-CG 4Å; F129-F136 AromaticContact CD2-CZ 3.93Å; F129-F136 HydrophobicContact CD2-CZ 3.93Å; F129-F136 HydrophobicContact CE2-CD2 4.37Å; F129-F136 HydrophobicContact CE2-CG 4.41Å; F129-F136 HydrophobicContact CG-CE2 4.38Å; F129-F136 HydrophobicContact CG-CZ 4.38Å; C132-F136 HydrophobicContact CB-CD1 3.86Å; C132-F136 HydrophobicContact CB-CE1 3.63Å; F136-T140 HydrophobicContact CB-CG2 3.83Å; F136-T140 HydrophobicContact CD1-CG2 3.98Å; F136-T140 HydrophobicContact CD2-CG2 4.03Å; F136-T140 HydrophobicContact CG-CG2 3.71Å; F136-V141 HydrophobicContact CB-CG2 3.65Å; F136-I144 HydrophobicContact CD2-CD1 4.08Å; F136-I144 HydrophobicContact CE2-CD1 4.1Å; F136-F244 HydrophobicContact CB-CB 4.38Å; F136-F244 HydrophobicContact CD2-CB 3.83Å; F136-F244 AromaticContact CD2-CD1 3.75Å; F136-F244 HydrophobicContact CD2-CD1 3.75Å; F136-F244 HydrophobicContact CD2-CD2 4.34Å; F136-F244 HydrophobicContact CD2-CE1 4.38Å; F136-F244 AromaticContact CD2-CG 3.74Å; F136-F244 HydrophobicContact CD2-CG 3.74Å; F136-F244 AromaticContact CE2-CD1 3.78Å; F136-F244 HydrophobicContact CE2-CD1 3.78Å; F136-F244 AromaticContact CE2-CE1 3.98Å; F136-F244 HydrophobicContact CE2-CE1 3.98Å; F136-F244 HydrophobicContact CE2-CG 4.16Å; F136-F244 HydrophobicContact CE2-CZ 4.48Å; F136-F244 PolarHBondContact N-O 2.93Å; F136-D327 VanDerWaalsContact CA-OD2 3.23Å; F136-D327 WeakPolarHBondContact CA-OD2 3.38Å; F136-D327 HydrophobicContact CD1-CB 4.31Å; F136-W328 AromaticContact CE1-CE3 3.75Å; F136-W328 HydrophobicContact CE1-CE3 3.75Å; F136-W328 AromaticContact CE1-CZ3 3.85Å; F136-W328 HydrophobicContact CE1-CZ3 3.85Å; F136-W328 HydrophobicContact CE2-CZ3 4.13Å; F136-W328 AromaticContact CZ-CE3 3.87Å; F136-W328 HydrophobicContact CZ-CE3 3.87Å; F136-W328 AromaticContact CZ-CZ3 3.63Å; F136-W328 HydrophobicContact CZ-CZ3 3.63Å
137	T	98.8	Very high	98.4	Very high	71 Å²	71	32.7 Å²	32.7	44%	0.436	17%	0.171	S	C	.	.			trans	-65.1	154.7	170.9	68.9	0	0	0	0	110.5	K139 T140 V141 D327	T137-K139 PolarHBondContact O-N 2.85Å; T137-T140 PolarHBondContact O-N 3.42Å; T137-T140 PolarHBondContact OG1-N 3.38Å; T137-T140 PolarHBondContact OG1-OG1 3.44Å; T137-V141 WeakPolarHBondContact O-CG2 3.29Å; T137-V141 PolarHBondContact O-N 3.46Å; T137-D327 WeakPolarHBondContact CB-OD1 3.3Å; T137-D327 VanDerWaalsContact CG2-OD1 3.26Å; T137-D327 WeakPolarHBondContact CG2-OD1 3.42Å; T137-D327 PolarHBondContact N-OD2 2.91Å; T137-D327 PolarHBondContact OG1-OD1 3.36Å; T137-D327 PolarHBondContact OG1-OD2 3.13Å
138	L	98.8	Very high	98.5	Very high	27 Å²	27	28.4 Å²	28.4	14%	0.141	15%	0.148	C	C	.	.	H	α-helix	trans	-55.7	-41.3	175.5	179.7	64.7	0	0	0	111.8	T140 V141 L142 L245 P283 M286 K318 Y320	L138-T140 PolarHBondContact O-N 3.16Å; L138-V141 PolarHBondContact O-N 3.18Å; L138-L142 HydrophobicContact CD1-CD1 4.01Å; L138-L142 HydrophobicContact CD1-CD2 4.3Å; L138-L142 HydrophobicContact CD1-CG 3.92Å; L138-L142 HydrophobicContact CD2-CD1 4.39Å; L138-L142 HydrophobicContact CG-CD1 3.82Å; L138-L142 HydrophobicContact CG-CG 4.16Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 3.07Å; L138-L245 HydrophobicContact CB-CD2 4.5Å; L138-L245 HydrophobicContact CD1-CD2 4.16Å; L138-P283 HydrophobicContact CD1-CG 3.99Å; L138-P283 HydrophobicContact CD2-CG 3.58Å; L138-P283 HydrophobicContact CG-CG 4.45Å; L138-M286 HydrophobicContact CD1-CE 3.91Å; L138-K318 HydrophobicContact CD2-CD 4.47Å; L138-K318 HydrophobicContact CD2-CG 4.28Å; L138-Y320 HydrophobicContact CD2-CE2 4.29Å; L138-Y320 HydrophobicContact CG-CE2 4.3Å
139	K	98.8	Very high	98.5	Very high	38 Å²	38	28.3 Å²	28.3	17%	0.165	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-49.9	177.5	-174.8	-172.1	173.1	-170.6	0	111	T137 L142 M143 F315 Y320 T321 D323	T137-K139 PolarHBondContact O-N 2.85Å; K139-L142 PolarHBondContact O-N 2.78Å; K139-M143 HydrophobicContact CD-CE 4.5Å; K139-M143 HydrophobicContact CG-CE 4.1Å; K139-M143 WeakPolarHBondContact O-CG 3.24Å; K139-M143 PolarHBondContact O-N 3.01Å; K139-M143 VanDerWaalsContact O-N 3.11Å; K139-F315 HydrophobicContact CG-CE2 3.76Å; K139-F315 HydrophobicContact CG-CZ 4.14Å; K139-Y320 HydrophobicContact CB-CD1 4.27Å; K139-Y320 HydrophobicContact CB-CD2 3.84Å; K139-Y320 HydrophobicContact CB-CE1 4.26Å; K139-Y320 HydrophobicContact CB-CE2 3.83Å; K139-Y320 HydrophobicContact CB-CG 4.07Å; K139-Y320 HydrophobicContact CD-CD1 4.31Å; K139-Y320 HydrophobicContact CD-CG 4.31Å; K139-Y320 HydrophobicContact CG-CD1 4.25Å; K139-Y320 HydrophobicContact CG-CD2 4Å; K139-Y320 HydrophobicContact CG-CE2 4.49Å; K139-Y320 HydrophobicContact CG-CG 3.87Å; K139-T321 WeakPolarHBondContact CE-O 3.44Å; K139-D323 WeakPolarHBondContact CE-OD1 3.31Å; K139-D323 IonicContact NZ-OD1 3.9Å; K139-D323 PolarHBondContact NZ-OD1 3.47Å; K139-D323 IonicContact NZ-OD2 3.67Å; K139-D323 PolarHBondContact NZ-OD2 2.93Å
140	T	98.9	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-47.8	177.6	-75.8	0	0	0	0	111.5	F136 T137 L138 L142 M143 I144 Y326 D327 W328	F136-T140 HydrophobicContact CB-CG2 3.83Å; F136-T140 HydrophobicContact CD1-CG2 3.98Å; F136-T140 HydrophobicContact CD2-CG2 4.03Å; F136-T140 HydrophobicContact CG-CG2 3.71Å; T137-T140 PolarHBondContact O-N 3.42Å; T137-T140 PolarHBondContact OG1-N 3.38Å; T137-T140 PolarHBondContact OG1-OG1 3.44Å; L138-T140 PolarHBondContact O-N 3.16Å; T140-L142 PolarHBondContact O-N 3.04Å; T140-M143 PolarHBondContact O-N 3.19Å; T140-I144 HydrophobicContact CG2-CD1 3.74Å; T140-I144 VanDerWaalsContact O-CG1 3.27Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 3.02Å; T140-Y326 HydrophobicContact CG2-CD1 4.12Å; T140-Y326 WeakPolarHBondContact OG1-CA 3.29Å; T140-D327 WeakPolarHBondContact CB-OD2 3.37Å; T140-D327 PolarHBondContact OG1-N 3.33Å; T140-D327 VanDerWaalsContact OG1-N 3.08Å; T140-D327 PolarHBondContact OG1-OD1 3.33Å; T140-D327 PolarHBondContact OG1-OD2 3.34Å; T140-W328 HydrophobicContact CG2-CE3 4.45Å; T140-W328 HydrophobicContact CG2-CH2 4.28Å; T140-W328 HydrophobicContact CG2-CZ3 3.7Å
141	V	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-39.9	-179.8	175.9	0	0	0	0	112.1	F136 T137 L138 I144 A145 F241 F244 L245 M286	F136-V141 HydrophobicContact CB-CG2 3.65Å; T137-V141 WeakPolarHBondContact O-CG2 3.29Å; T137-V141 PolarHBondContact O-N 3.46Å; L138-V141 PolarHBondContact O-N 3.18Å; V141-I144 PolarHBondContact O-N 3.17Å; V141-A145 VanDerWaalsContact O-CB 3.3Å; V141-A145 WeakPolarHBondContact O-CB 3.33Å; V141-A145 PolarHBondContact O-N 3.23Å; V141-F241 HydrophobicContact CG1-CB 4.09Å; V141-F244 HydrophobicContact CG2-CB 3.72Å; V141-L245 HydrophobicContact CB-CD2 3.91Å; V141-L245 HydrophobicContact CB-CG 4.23Å; V141-L245 HydrophobicContact CG1-CD1 4.28Å; V141-L245 HydrophobicContact CG1-CD2 4.21Å; V141-L245 HydrophobicContact CG1-CG 4.01Å; V141-L245 HydrophobicContact CG2-CD2 3.69Å; V141-L245 HydrophobicContact CG2-CG 3.95Å; V141-M286 HydrophobicContact CG1-CE 4.4Å
142	L	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-44	177.9	-68.7	174.7	0	0	0	112.1	L138 K139 T140 I144 A145 I146 M286 F311 L314 F315 Y320	L138-L142 HydrophobicContact CD1-CD1 4.01Å; L138-L142 HydrophobicContact CD1-CD2 4.3Å; L138-L142 HydrophobicContact CD1-CG 3.92Å; L138-L142 HydrophobicContact CD2-CD1 4.39Å; L138-L142 HydrophobicContact CG-CD1 3.82Å; L138-L142 HydrophobicContact CG-CG 4.16Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 3.07Å; K139-L142 PolarHBondContact O-N 2.78Å; T140-L142 PolarHBondContact O-N 3.04Å; L142-I144 VanDerWaalsContact C-N 3.29Å; L142-I144 PolarHBondContact O-N 3.23Å; L142-A145 PolarHBondContact O-N 2.98Å; L142-I146 WeakPolarHBondContact O-CD1 3.46Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 2.81Å; L142-M286 HydrophobicContact CD2-CE 3.81Å; L142-F311 HydrophobicContact CD2-CB 3.87Å; L142-F311 HydrophobicContact CD2-CD1 3.62Å; L142-F311 HydrophobicContact CD2-CE1 4.44Å; L142-F311 HydrophobicContact CD2-CG 3.93Å; L142-L314 HydrophobicContact CD1-CD2 4.05Å; L142-L314 HydrophobicContact CD1-CG 4.01Å; L142-L314 HydrophobicContact CD2-CD2 3.97Å; L142-F315 HydrophobicContact CB-CD2 3.72Å; L142-F315 HydrophobicContact CB-CE2 4.4Å; L142-F315 HydrophobicContact CD1-CB 4.16Å; L142-F315 HydrophobicContact CD1-CD2 3.95Å; L142-Y320 HydrophobicContact CD1-CD2 4.45Å; L142-Y320 HydrophobicContact CD1-CE2 4.45Å
143	M	98.8	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-38.4	174.8	-70.3	-172.3	-63.4	0	0	112	K139 T140 Q147 F315 F322 Y326	K139-M143 HydrophobicContact CD-CE 4.5Å; K139-M143 HydrophobicContact CG-CE 4.1Å; K139-M143 WeakPolarHBondContact O-CG 3.24Å; K139-M143 PolarHBondContact O-N 3.01Å; K139-M143 VanDerWaalsContact O-N 3.11Å; T140-M143 PolarHBondContact O-N 3.19Å; M143-Q147 PolarHBondContact O-N 3.26Å; M143-F315 HydrophobicContact CG-CE2 3.6Å; M143-F315 HydrophobicContact CG-CZ 3.85Å; M143-F315 HydrophobicContact SD-CE2 4.39Å; M143-F315 HydrophobicContact SD-CZ 4.2Å; M143-F322 HydrophobicContact CB-CE2 4.23Å; M143-F322 HydrophobicContact CB-CZ 4.19Å; M143-F322 HydrophobicContact CG-CD2 4.07Å; M143-F322 HydrophobicContact CG-CE2 3.9Å; M143-F322 HydrophobicContact CG-CG 4.48Å; M143-F322 HydrophobicContact CG-CZ 4.15Å; M143-Y326 HydrophobicContact CB-CE1 3.7Å; M143-Y326 HydrophobicContact CE-CD1 3.69Å; M143-Y326 HydrophobicContact CE-CE1 3.84Å; M143-Y326 HydrophobicContact CE-CG 4.25Å; M143-Y326 HydrophobicContact SD-CE1 4.46Å
144	I	98.9	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-51.4	173.1	-68.7	165.3	0	0	0	110.3	L125 F136 T140 V141 L142 I146 Q147 L148 I183 Y326 W328	L125-I144 HydrophobicContact CD1-CG2 3.79Å; L125-I144 HydrophobicContact CD2-CD1 4.25Å; F136-I144 HydrophobicContact CD2-CD1 4.08Å; F136-I144 HydrophobicContact CE2-CD1 4.1Å; T140-I144 HydrophobicContact CG2-CD1 3.74Å; T140-I144 VanDerWaalsContact O-CG1 3.27Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 3.02Å; V141-I144 PolarHBondContact O-N 3.17Å; L142-I144 VanDerWaalsContact C-N 3.29Å; L142-I144 PolarHBondContact O-N 3.23Å; I144-I146 VanDerWaalsContact C-N 3.34Å; I144-I146 PolarHBondContact O-N 3.3Å; I144-Q147 PolarHBondContact O-N 2.65Å; I144-L148 HydrophobicContact CG2-CD1 3.7Å; I144-L148 HydrophobicContact CG2-CG 3.95Å; I144-L148 WeakPolarHBondContact O-CG 3.49Å; I144-L148 PolarHBondContact O-N 3.42Å; I144-I183 HydrophobicContact CB-CD1 3.96Å; I144-I183 HydrophobicContact CG1-CD1 3.67Å; I144-I183 HydrophobicContact CG2-CD1 3.98Å; I144-Y326 HydrophobicContact CG1-CE1 4.24Å; I144-W328 HydrophobicContact CD1-CH2 4.02Å; I144-W328 HydrophobicContact CD1-CZ3 4.16Å; I144-W328 HydrophobicContact CG1-CH2 4.35Å
145	A	98.9	Very high	98.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-44.2	-174.5	0	0	0	0	0	112.3	V141 L142 Q147 L148 L149 F241 F311	V141-A145 VanDerWaalsContact O-CB 3.3Å; V141-A145 WeakPolarHBondContact O-CB 3.33Å; V141-A145 PolarHBondContact O-N 3.23Å; L142-A145 PolarHBondContact O-N 2.98Å; A145-Q147 PolarHBondContact O-N 2.81Å; A145-L148 PolarHBondContact O-N 2.95Å; A145-L149 WeakPolarHBondContact O-CG 3.48Å; A145-L149 PolarHBondContact O-N 2.86Å; A145-F241 HydrophobicContact CB-CD1 4.12Å; A145-F241 HydrophobicContact CB-CD2 4.18Å; A145-F241 HydrophobicContact CB-CE1 3.72Å; A145-F241 HydrophobicContact CB-CE2 3.79Å; A145-F241 HydrophobicContact CB-CG 4.35Å; A145-F241 HydrophobicContact CB-CZ 3.54Å; A145-F311 HydrophobicContact CB-CD2 3.75Å; A145-F311 HydrophobicContact CB-CE2 3.85Å; A145-F311 HydrophobicContact CB-CG 4.49Å
146	I	98.8	Very high	98.8	Very high	20 Å²	20	16.9 Å²	16.9	10%	0.103	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-46.2	177.8	-68.5	160.9	0	0	0	110.8	L142 I144 S150 F311 T312 F322	L142-I146 WeakPolarHBondContact O-CD1 3.46Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 2.81Å; I144-I146 VanDerWaalsContact C-N 3.34Å; I144-I146 PolarHBondContact O-N 3.3Å; I146-S150 PolarHBondContact O-N 3.36Å; I146-S150 PolarHBondContact O-OG 3.09Å; I146-F311 HydrophobicContact CD1-CB 4.47Å; I146-F311 HydrophobicContact CG1-CB 4.08Å; I146-T312 HydrophobicContact CD1-CG2 3.67Å; I146-T312 HydrophobicContact CG1-CG2 4.1Å; I146-F322 HydrophobicContact CB-CE2 4.46Å; I146-F322 HydrophobicContact CD1-CE2 3.94Å; I146-F322 HydrophobicContact CG2-CE2 4.37Å
147	Q	98.8	Very high	98.8	Very high	17 Å²	17	20 Å²	20	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-45.5	176.8	-73	-171	55.1	0	0	112.1	M143 I144 A145 L149 S150 R151 H181 I183 Y326	M143-Q147 PolarHBondContact O-N 3.26Å; I144-Q147 PolarHBondContact O-N 2.65Å; A145-Q147 PolarHBondContact O-N 2.81Å; Q147-L149 VanDerWaalsContact C-N 3.32Å; Q147-L149 PolarHBondContact O-N 3.32Å; Q147-S150 WeakPolarHBondContact O-CB 3.35Å; Q147-S150 PolarHBondContact O-N 2.99Å; Q147-S150 VanDerWaalsContact O-N 3.09Å; Q147-R151 WeakPolarHBondContact O-CG 3.45Å; Q147-R151 PolarHBondContact O-N 3.02Å; Q147-H181 PolarHBondContact NE2-O 3.15Å; Q147-I183 HydrophobicContact CB-CD1 4.35Å; Q147-Y326 PolarHBondContact NE2-OH 3.28Å
148	L	98.9	Very high	98.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-31.8	-176.3	-67.5	-165.9	0	0	0	113.1	L125 I144 A145 S150 R151 M152 F170 I183 L237 M240 F241	L125-L148 HydrophobicContact CD1-CD1 4.3Å; I144-L148 HydrophobicContact CG2-CD1 3.7Å; I144-L148 HydrophobicContact CG2-CG 3.95Å; I144-L148 WeakPolarHBondContact O-CG 3.49Å; I144-L148 PolarHBondContact O-N 3.42Å; A145-L148 PolarHBondContact O-N 2.95Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-R151 HydrophobicContact CD2-CG 4.38Å; L148-R151 PolarHBondContact O-N 3.49Å; L148-M152 WeakPolarHBondContact O-CB 3.25Å; L148-M152 PolarHBondContact O-N 3.11Å; L148-F170 HydrophobicContact CD1-CD1 4.17Å; L148-F170 HydrophobicContact CD1-CD2 4.14Å; L148-F170 HydrophobicContact CD1-CE1 4.27Å; L148-F170 HydrophobicContact CD1-CE2 4.26Å; L148-F170 HydrophobicContact CD1-CG 4.09Å; L148-F170 HydrophobicContact CD1-CZ 4.32Å; L148-F170 HydrophobicContact CD2-CB 4.42Å; L148-F170 HydrophobicContact CD2-CD1 3.33Å; L148-F170 HydrophobicContact CD2-CE1 3.66Å; L148-F170 HydrophobicContact CD2-CG 3.91Å; L148-F170 HydrophobicContact CD2-CZ 4.48Å; L148-F170 HydrophobicContact CG-CD1 4.4Å; L148-I183 HydrophobicContact CD2-CB 4.31Å; L148-I183 HydrophobicContact CD2-CG2 3.6Å; L148-L237 HydrophobicContact CB-CD1 4.49Å; L148-L237 HydrophobicContact CB-CD2 4.01Å; L148-L237 HydrophobicContact CD1-CD2 3.87Å; L148-M240 HydrophobicContact CD1-CE 3.28Å; L148-F241 HydrophobicContact CD1-CE1 4.24Å
149	L	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-43.1	170.3	-74.5	169.9	0	0	0	111.5	A145 Q147 M152 E153 L234 Y289 L307 R308 F311	A145-L149 WeakPolarHBondContact O-CG 3.48Å; A145-L149 PolarHBondContact O-N 2.86Å; Q147-L149 VanDerWaalsContact C-N 3.32Å; Q147-L149 PolarHBondContact O-N 3.32Å; L149-M152 PolarHBondContact O-N 3.42Å; L149-E153 WeakPolarHBondContact O-CB 3.49Å; L149-E153 PolarHBondContact O-N 3.34Å; L149-L234 HydrophobicContact CD2-CD2 3.91Å; L149-Y289 HydrophobicContact CD1-CE2 4.39Å; L149-Y289 HydrophobicContact CD2-CE2 3.93Å; L149-L307 HydrophobicContact CD1-CB 3.94Å; L149-L307 HydrophobicContact CD2-CB 4.24Å; L149-L307 HydrophobicContact CD2-CD1 4.26Å; L149-R308 HydrophobicContact CB-CG 3.9Å; L149-R308 HydrophobicContact CD1-CG 3.91Å; L149-F311 HydrophobicContact CD1-CD2 3.94Å; L149-F311 HydrophobicContact CD1-CE2 4.11Å
150	S	98.6	Very high	98.7	Very high	43 Å²	43	19.7 Å²	19.7	30%	0.301	10%	0.104	S	C	.	.	H	α-helix	trans	-65.4	-39.1	174.6	-59	0	0	0	0	112.6	I146 Q147 L148 Y154	I146-S150 PolarHBondContact O-N 3.36Å; I146-S150 PolarHBondContact O-OG 3.09Å; Q147-S150 WeakPolarHBondContact O-CB 3.35Å; Q147-S150 PolarHBondContact O-N 2.99Å; Q147-S150 VanDerWaalsContact O-N 3.09Å; L148-S150 VanDerWaalsContact C-N 3.34Å; S150-Y154 WeakPolarHBondContact O-CB 3.48Å; S150-Y154 PolarHBondContact O-N 3.08Å
151	R	98.7	Very high	98.7	Very high	13 Å²	13	19.7 Å²	19.7	5%	0.049	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-45.7	173.7	-59.9	-54.9	166	-117.6	-6.8	111.3	E99 Q147 L148 Y154 V155 I183 I185	E99-R151 VanDerWaalsContact O-CD 3.29Å; E99-R151 WeakPolarHBondContact O-CD 3.49Å; E99-R151 VanDerWaalsContact O-CZ 3.32Å; E99-R151 PolarHBondContact O-NE 3.43Å; E99-R151 PolarHBondContact O-NH1 2.9Å; E99-R151 IonicContact OE2-CZ 3.17Å; E99-R151 VanDerWaalsContact OE2-CZ 3.29Å; E99-R151 IonicContact OE2-NH1 3.35Å; E99-R151 PolarHBondContact OE2-NH1 2.77Å; E99-R151 IonicContact OE2-NH2 3.22Å; E99-R151 PolarHBondContact OE2-NH2 2.67Å; Q147-R151 WeakPolarHBondContact O-CG 3.45Å; Q147-R151 PolarHBondContact O-N 3.02Å; L148-R151 HydrophobicContact CD2-CG 4.38Å; L148-R151 PolarHBondContact O-N 3.49Å; R151-Y154 WeakPolarHBondContact O-CB 3.42Å; R151-Y154 PolarHBondContact O-N 2.95Å; R151-V155 WeakPolarHBondContact O-CG2 3.12Å; R151-V155 PolarHBondContact O-N 2.9Å; R151-I183 PolarHBondContact NE-O 2.82Å; R151-I185 HydrophobicContact CB-CG2 4.29Å
152	M	98.8	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-69.7	-41.3	-177.6	-164.4	57.6	71.1	0	0	111.8	L148 L149 Y154 V155 H156 Y162 V165 D233 L234 L237	L148-M152 WeakPolarHBondContact O-CB 3.25Å; L148-M152 PolarHBondContact O-N 3.11Å; L149-M152 PolarHBondContact O-N 3.42Å; M152-Y154 VanDerWaalsContact C-N 3.3Å; M152-Y154 PolarHBondContact O-N 2.96Å; M152-V155 PolarHBondContact O-N 3.2Å; M152-H156 WeakPolarHBondContact CG-CE1 3.37Å; M152-H156 WeakPolarHBondContact O-CB 3.42Å; M152-H156 PolarHBondContact O-N 3.11Å; M152-H156 PolarHBondContact O-ND1 3.22Å; M152-H156 VanDerWaalsContact O-ND1 3.07Å; M152-Y162 HydrophobicContact CE-CD1 3.95Å; M152-Y162 HydrophobicContact CE-CG 4.32Å; M152-V165 HydrophobicContact CE-CG2 3.63Å; M152-D233 HydrophobicContact CE-CB 3.96Å; M152-D233 HydrophobicContact CG-CB 4.09Å; M152-D233 HydrophobicContact SD-CB 3.64Å; M152-L234 HydrophobicContact CB-CD2 4.42Å; M152-L234 HydrophobicContact CG-CD2 4.04Å; M152-L237 HydrophobicContact CB-CD1 4.07Å; M152-L237 HydrophobicContact CE-CD1 4.32Å; M152-L237 HydrophobicContact CG-CD1 4.32Å
153	E	98.8	Very high	98.6	Very high	60 Å²	60	21.8 Å²	21.8	28%	0.28	11%	0.111	S	C	.	.	H	α-helix	trans	-57.4	-44.1	171.4	-178.7	171.4	-154.9	0	0	111.4	L149 V155 H156 S157 Y304 R308	L149-E153 WeakPolarHBondContact O-CB 3.49Å; L149-E153 PolarHBondContact O-N 3.34Å; E153-V155 PolarHBondContact O-N 2.87Å; E153-H156 PolarHBondContact O-N 3.45Å; E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.18Å; E153-Y304 HydrophobicContact CB-CD1 3.71Å; E153-Y304 HydrophobicContact CB-CD2 4.03Å; E153-Y304 HydrophobicContact CB-CE1 4.1Å; E153-Y304 HydrophobicContact CB-CE2 4.4Å; E153-Y304 HydrophobicContact CB-CG 3.69Å; E153-Y304 HydrophobicContact CG-CD1 4.25Å; E153-Y304 HydrophobicContact CG-CD2 3.61Å; E153-Y304 HydrophobicContact CG-CE2 4.03Å; E153-Y304 HydrophobicContact CG-CG 3.75Å; E153-Y304 WeakPolarHBondContact OE1-CD2 3.32Å; E153-R308 IonicContact OE2-CZ 3.87Å; E153-R308 VanDerWaalsContact OE2-CZ 3.22Å; E153-R308 IonicContact OE2-NH1 3.91Å; E153-R308 PolarHBondContact OE2-NH1 2.85Å; E153-R308 IonicContact OE2-NH2 3.06Å; E153-R308 PolarHBondContact OE2-NH2 2.89Å
154	Y	98.7	Very high	98.6	Very high	51 Å²	51	21.9 Å²	21.9	20%	0.2	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-48.3	177.4	-175.9	-94.9	0	0	0	112	L94 G98 L101 S150 R151 M152 H156 S157 K158	L94-Y154 HydrophobicContact CB-CE1 4.46Å; L94-Y154 HydrophobicContact CD2-CD1 4.35Å; L94-Y154 HydrophobicContact CD2-CE1 4.22Å; L94-Y154 PolarHBondContact O-OH 3.39Å; G98-Y154 WeakPolarHBondContact CA-OH 3.43Å; G98-Y154 PolarHBondContact N-OH 3.43Å; G98-Y154 VanDerWaalsContact N-OH 3.14Å; L101-Y154 HydrophobicContact CD1-CD1 3.98Å; L101-Y154 HydrophobicContact CD1-CE1 3.48Å; L101-Y154 VanDerWaalsContact CD1-CE1 3.48Å; S150-Y154 WeakPolarHBondContact O-CB 3.48Å; S150-Y154 PolarHBondContact O-N 3.08Å; R151-Y154 WeakPolarHBondContact O-CB 3.42Å; R151-Y154 PolarHBondContact O-N 2.95Å; M152-Y154 VanDerWaalsContact C-N 3.3Å; M152-Y154 PolarHBondContact O-N 2.96Å; Y154-H156 VanDerWaalsContact C-N 3.33Å; Y154-H156 PolarHBondContact O-N 3.37Å; Y154-S157 WeakPolarHBondContact O-CB 3.42Å; Y154-S157 PolarHBondContact O-N 3.36Å; Y154-S157 VanDerWaalsContact O-N 3.15Å; Y154-S157 PolarHBondContact O-OG 3.46Å; Y154-K158 HydrophobicContact CE1-CG 4.14Å; Y154-K158 WeakPolarHBondContact O-CG 3.46Å; Y154-K158 PolarHBondContact O-N 2.96Å; Y154-K158 WeakPolarHBondContact OH-CE 3.25Å
155	V	98.6	Very high	98.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-46.2	176.7	173.1	0	0	0	0	110.9	L94 R151 M152 E153 S157 K158 L160 I185 F188	L94-V155 HydrophobicContact CD2-CB 4.46Å; L94-V155 HydrophobicContact CD2-CG2 4.1Å; R151-V155 WeakPolarHBondContact O-CG2 3.12Å; R151-V155 PolarHBondContact O-N 2.9Å; M152-V155 PolarHBondContact O-N 3.2Å; E153-V155 PolarHBondContact O-N 2.87Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3Å; V155-K158 PolarHBondContact O-N 3.41Å; V155-L160 CarbonylContact C-O 3.24Å; V155-L160 HydrophobicContact CG1-CB 3.86Å; V155-L160 PolarHBondContact O-N 3.43Å; V155-I185 HydrophobicContact CG2-CD1 4.35Å; V155-F188 HydrophobicContact CG1-CE1 4.11Å; V155-F188 HydrophobicContact CG2-CE1 3.78Å; V155-F188 HydrophobicContact CG2-CZ 3.99Å
156	H	98.8	Very high	98.5	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-32.4	176.8	-64.4	148.3	0	0	0	113.6	M152 E153 Y154 K158 N159 L160 Y194 R230 D233 Y304	M152-H156 WeakPolarHBondContact CG-CE1 3.37Å; M152-H156 WeakPolarHBondContact O-CB 3.42Å; M152-H156 PolarHBondContact O-N 3.11Å; M152-H156 PolarHBondContact O-ND1 3.22Å; M152-H156 VanDerWaalsContact O-ND1 3.07Å; E153-H156 PolarHBondContact O-N 3.45Å; Y154-H156 VanDerWaalsContact C-N 3.33Å; Y154-H156 PolarHBondContact O-N 3.37Å; H156-K158 PolarHBondContact O-N 2.84Å; H156-N159 PolarHBondContact O-N 2.85Å; H156-L160 WeakPolarHBondContact CA-O 3.44Å; H156-L160 PolarHBondContact CD2-O 3.3Å; H156-Y194 VanDerWaalsContact O-CE1 3.26Å; H156-Y194 WeakPolarHBondContact O-CE1 3.41Å; H156-Y194 PolarHBondContact O-OH 2.91Å; H156-R230 HydrophobicContact CB-CG 4.3Å; H156-R230 WeakPolarHBondContact NE2-CA 3.15Å; H156-D233 IonicContact NE2-OD2 3.65Å; H156-D233 PolarHBondContact NE2-OD2 3.4Å; H156-Y304 WeakPolarHBondContact CB-OH 3.44Å; H156-Y304 AromaticContact ND1-CE1 3.58Å; H156-Y304 AromaticContact ND1-CZ 3.5Å; H156-Y304 PolarHBondContact ND1-OH 3.42Å
157	S	97.9	Very high	98.5	Very high	73 Å²	73	21.9 Å²	21.9	51%	0.51	11%	0.112	S	C	.	.	H	α-helix	trans	-67.1	-22.4	174.9	83.1	0	0	0	0	112.6	E153 Y154 V155 N159	E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.18Å; Y154-S157 WeakPolarHBondContact O-CB 3.42Å; Y154-S157 PolarHBondContact O-N 3.36Å; Y154-S157 VanDerWaalsContact O-N 3.15Å; Y154-S157 PolarHBondContact O-OG 3.46Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3Å; S157-N159 VanDerWaalsContact C-N 3.28Å
158	K	97.9	Very high	98.5	Very high	74 Å²	74	24.4 Å²	24.4	32%	0.322	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	18.5	176.1	-60.9	-65.2	-175.8	178.1	0	112.6	Q93 L94 Y154 V155 H156 L160	Q93-K158 PolarHBondContact NE2-O 3.33Å; L94-K158 HydrophobicContact CD2-CB 3.92Å; L94-K158 HydrophobicContact CD2-CG 4.01Å; L94-K158 WeakPolarHBondContact O-CE 3.3Å; Y154-K158 HydrophobicContact CE1-CG 4.14Å; Y154-K158 WeakPolarHBondContact O-CG 3.46Å; Y154-K158 PolarHBondContact O-N 2.96Å; Y154-K158 WeakPolarHBondContact OH-CE 3.25Å; V155-K158 PolarHBondContact O-N 3.41Å; H156-K158 PolarHBondContact O-N 2.84Å; K158-L160 PolarHBondContact O-N 3.44Å
159	N	98.3	Very high	98.4	Very high	56 Å²	56	24.8 Å²	24.8	30%	0.299	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	19.1	178.1	-61.9	-28.2	0	0	0	114.8	H156 S157 E193 Y194 I195	H156-N159 PolarHBondContact O-N 2.85Å; S157-N159 VanDerWaalsContact C-N 3.28Å; N159-E193 CarbonylContact O-C 3.44Å; N159-E193 VanDerWaalsContact O-CA 3.29Å; N159-E193 WeakPolarHBondContact O-CA 3.47Å; N159-Y194 VanDerWaalsContact CA-CE1 3.47Å; N159-Y194 VanDerWaalsContact O-CD1 3.24Å; N159-Y194 WeakPolarHBondContact O-CD1 3.49Å; N159-Y194 PolarHBondContact O-N 2.99Å; N159-I195 HydrophobicContact CB-CB 3.85Å; N159-I195 HydrophobicContact CB-CG1 4.19Å; N159-I195 WeakPolarHBondContact OD1-CG1 3.36Å
160	L	98.6	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.3	179.8	-62.1	175.9	0	0	0	110.9	F90 L94 V155 H156 K158 K192 E193	F90-L160 HydrophobicContact CB-CD1 4Å; F90-L160 HydrophobicContact CD1-CD1 3.92Å; F90-L160 HydrophobicContact CD1-CD2 3.51Å; F90-L160 HydrophobicContact CD1-CG 4.39Å; F90-L160 HydrophobicContact CE1-CD2 3.54Å; F90-L160 HydrophobicContact CG-CD1 4.13Å; F90-L160 HydrophobicContact CG-CD2 4.3Å; F90-L160 HydrophobicContact CZ-CD2 4.31Å; L94-L160 HydrophobicContact CD1-CD1 4.5Å; L94-L160 HydrophobicContact CD2-CD1 4.05Å; L94-L160 HydrophobicContact CG-CD1 4.01Å; V155-L160 CarbonylContact C-O 3.24Å; V155-L160 HydrophobicContact CG1-CB 3.86Å; V155-L160 PolarHBondContact O-N 3.43Å; H156-L160 WeakPolarHBondContact CA-O 3.44Å; H156-L160 PolarHBondContact CD2-O 3.3Å; K158-L160 PolarHBondContact O-N 3.44Å; L160-K192 CarbonylContact C-O 3.58Å; L160-K192 VanDerWaalsContact CA-O 3.32Å; L160-K192 WeakPolarHBondContact CA-O 3.4Å; L160-E193 HydrophobicContact CD2-CB 4.42Å; L160-E193 HydrophobicContact CD2-CG 3.66Å
161	I	98.8	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.7	159.7	53.2	173.5	0	0	0	108.6	R163 A191 K192 Y194 Q228 R230 D233	I161-R163 HydrophobicContact CB-CG 4.39Å; I161-R163 HydrophobicContact CD1-CG 3.91Å; I161-R163 HydrophobicContact CG1-CG 3.96Å; I161-A191 CarbonylContact O-C 3.56Å; I161-A191 VanDerWaalsContact O-CA 3.25Å; I161-A191 WeakPolarHBondContact O-CA 3.19Å; I161-A191 WeakPolarHBondContact O-CB 3.42Å; I161-K192 HydrophobicContact CD1-CB 4.44Å; I161-K192 HydrophobicContact CG1-CB 4.05Å; I161-K192 WeakPolarHBondContact CG1-O 3.24Å; I161-K192 PolarHBondContact N-O 2.96Å; I161-K192 PolarHBondContact O-N 3.41Å; I161-Y194 HydrophobicContact CG2-CD1 3.83Å; I161-Y194 HydrophobicContact CG2-CG 3.93Å; I161-Q228 HydrophobicContact CD1-CB 4.15Å; I161-Q228 WeakPolarHBondContact CD1-O 3Å; I161-R230 HydrophobicContact CG2-CG 4.04Å; I161-D233 WeakPolarHBondContact CA-OD2 3.29Å; I161-D233 WeakPolarHBondContact CB-OD2 3.48Å
162	Y	98.6	Very high	98.3	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.117	C	C	.	.			trans	-90.3	-44	-166.7	179.2	-117	0	0	0	113.2	M152 D164 V165 N169 F170 I185 I186 F188 D233	M152-Y162 HydrophobicContact CE-CD1 3.95Å; M152-Y162 HydrophobicContact CE-CG 4.32Å; Y162-D164 WeakPolarHBondContact CE1-O 3.28Å; Y162-D164 PolarHBondContact O-N 2.97Å; Y162-D164 VanDerWaalsContact O-N 3.1Å; Y162-D164 PolarHBondContact OH-O 3.2Å; Y162-V165 HydrophobicContact CD1-CG2 3.75Å; Y162-V165 HydrophobicContact CE1-CG2 4.23Å; Y162-N169 WeakPolarHBondContact OH-CB 3.4Å; Y162-N169 PolarHBondContact OH-ND2 3.1Å; Y162-F170 HydrophobicContact CE1-CZ 4.45Å; Y162-I185 HydrophobicContact CD1-CD1 4.02Å; Y162-I185 HydrophobicContact CD2-CD1 3.79Å; Y162-I185 HydrophobicContact CD2-CG1 4.42Å; Y162-I185 HydrophobicContact CE1-CD1 3.98Å; Y162-I185 HydrophobicContact CE1-CG1 4.37Å; Y162-I185 HydrophobicContact CE2-CD1 3.81Å; Y162-I185 HydrophobicContact CE2-CG1 3.94Å; Y162-I185 HydrophobicContact CG-CD1 3.91Å; Y162-I186 WeakPolarHBondContact CE2-O 3.42Å; Y162-I186 PolarHBondContact OH-O 2.81Å; Y162-F188 AromaticContact CD2-CD1 3.94Å; Y162-F188 HydrophobicContact CD2-CD1 3.94Å; Y162-F188 AromaticContact CD2-CE1 3.84Å; Y162-F188 HydrophobicContact CD2-CE1 3.84Å; Y162-F188 HydrophobicContact CD2-CZ 4.49Å; Y162-F188 HydrophobicContact CE2-CD1 4.28Å; Y162-F188 HydrophobicContact CE2-CE1 4.27Å; Y162-D233 PolarHBondContact N-OD2 3.47Å
163	R	98.4	Very high	98.1	Very high	43 Å²	43	23.7 Å²	23.7	16%	0.162	12%	0.117	C	C	.	.			trans	64.7	0.3	171.4	-51.9	-168	-62.6	167.7	1	117.8	I161 L190 A191 Q228 D233	I161-R163 HydrophobicContact CB-CG 4.39Å; I161-R163 HydrophobicContact CD1-CG 3.91Å; I161-R163 HydrophobicContact CG1-CG 3.96Å; R163-L190 PolarHBondContact NE-O 3.23Å; R163-L190 PolarHBondContact NH2-O 3.41Å; R163-A191 PolarHBondContact NH2-O 3.36Å; R163-Q228 HydrophobicContact CG-CB 4.25Å; R163-D233 WeakPolarHBondContact CA-OD1 3.33Å; R163-D233 PolarHBondContact N-OD1 3.03Å
164	D	97.6	Very high	97.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.12	C	C	.	.			trans	-135.4	49	175.9	-159.5	32.2	0	0	0	113.1	Y162 K166 N169 L190 T214	Y162-D164 WeakPolarHBondContact CE1-O 3.28Å; Y162-D164 PolarHBondContact O-N 2.97Å; Y162-D164 VanDerWaalsContact O-N 3.1Å; Y162-D164 PolarHBondContact OH-O 3.2Å; D164-K166 PolarHBondContact O-N 3.05Å; D164-K166 IonicContact OD1-NZ 2.81Å; D164-K166 IonicContact OD2-NZ 2.89Å; D164-K166 PolarHBondContact OD2-NZ 3.17Å; D164-N169 PolarHBondContact O-ND2 3.26Å; D164-N169 PolarHBondContact OD2-ND2 3.21Å; D164-L190 HydrophobicContact CB-CB 4.26Å; D164-L190 HydrophobicContact CB-CD1 3.92Å; D164-T214 PolarHBondContact OD1-N 3.22Å; D164-T214 PolarHBondContact OD1-OG1 3.39Å
165	V	98.8	Very high	97.1	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.03	14%	0.135	C	C	.	.			trans	-62.6	115.6	172.7	178.3	0	0	0	0	109.9	M152 Y162 F170 Y217 D233 A236 L237 M240	M152-V165 HydrophobicContact CE-CG2 3.63Å; Y162-V165 HydrophobicContact CD1-CG2 3.75Å; Y162-V165 HydrophobicContact CE1-CG2 4.23Å; V165-F170 HydrophobicContact CG1-CE2 3.98Å; V165-F170 HydrophobicContact CG1-CZ 4.26Å; V165-Y217 VanDerWaalsContact O-CB 3.31Å; V165-Y217 WeakPolarHBondContact O-CB 3.24Å; V165-D233 HydrophobicContact CG2-CB 4.47Å; V165-A236 HydrophobicContact CB-CB 3.68Å; V165-A236 HydrophobicContact CG1-CB 4.03Å; V165-A236 HydrophobicContact CG2-CB 4.11Å; V165-L237 HydrophobicContact CG1-CD2 3.7Å; V165-L237 HydrophobicContact CG1-CG 4.01Å; V165-M240 HydrophobicContact CG1-CE 4.38Å; V165-M240 HydrophobicContact CG1-SD 4.19Å
166	K	98.4	Very high	96.2	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.065	17%	0.174	C	C	.	.			trans	-161.8	151.2	174.2	67.4	-168.6	-170.2	-147.4	0	110.1	D164 E168 N169 F170 T214 Y217	D164-K166 PolarHBondContact O-N 3.05Å; D164-K166 IonicContact OD1-NZ 2.81Å; D164-K166 IonicContact OD2-NZ 2.89Å; D164-K166 PolarHBondContact OD2-NZ 3.17Å; K166-E168 VanDerWaalsContact CB-OE2 3.22Å; K166-E168 WeakPolarHBondContact CB-OE2 3.47Å; K166-E168 HydrophobicContact CG-CB 4.3Å; K166-E168 WeakPolarHBondContact CG-OE2 3.34Å; K166-E168 PolarHBondContact O-N 3.01Å; K166-E168 VanDerWaalsContact O-N 3.13Å; K166-N169 VanDerWaalsContact CE-CG 3.47Å; K166-N169 WeakPolarHBondContact CE-ND2 3.33Å; K166-N169 WeakPolarHBondContact CE-OD1 3.32Å; K166-N169 HydrophobicContact CG-CB 4.27Å; K166-N169 PolarHBondContact O-N 3.48Å; K166-N169 VanDerWaalsContact O-N 3.08Å; K166-F170 WeakPolarHBondContact O-CD2 3.46Å; K166-F170 WeakPolarHBondContact O-CE2 3.48Å; K166-T214 VanDerWaalsContact CD-OG1 3.31Å; K166-T214 WeakPolarHBondContact CD-OG1 3.46Å; K166-Y217 HydrophobicContact CB-CD2 3.61Å; K166-Y217 HydrophobicContact CB-CE2 3.64Å
167	P	98.6	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-54.7	-32.1	-176.8	-28.4	36.6	0	0	0	114.4	L125 E126 N169 F170 Y217 M240 Y243 F244	L125-P167 HydrophobicContact CB-CB 4.22Å; L125-P167 PolarHBondContact N-O 2.72Å; E126-P167 HydrophobicContact CB-CB 3.88Å; E126-P167 WeakPolarHBondContact OE2-CB 3.22Å; P167-N169 PolarHBondContact O-N 2.73Å; P167-F170 PolarHBondContact O-N 3.18Å; P167-Y217 VanDerWaalsContact CD-CE2 3.49Å; P167-Y217 VanDerWaalsContact CD-OH 3.29Å; P167-Y217 WeakPolarHBondContact CD-OH 3.36Å; P167-Y217 HydrophobicContact CG-CE1 4.35Å; P167-M240 HydrophobicContact CB-SD 4.42Å; P167-M240 HydrophobicContact CG-CG 3.79Å; P167-M240 HydrophobicContact CG-SD 3.81Å; P167-M240 VanDerWaalsContact N-SD 3.44Å; P167-Y243 HydrophobicContact CG-CD1 4.07Å; P167-Y243 HydrophobicContact CG-CE1 3.87Å; P167-F244 HydrophobicContact CB-CE1 3.87Å; P167-F244 HydrophobicContact CB-CZ 3.74Å; P167-F244 HydrophobicContact CG-CE1 3.74Å; P167-F244 HydrophobicContact CG-CZ 3.69Å
168	E	97.1	Very high	94.6	Very high	69 Å²	69	40.2 Å²	40.2	32%	0.322	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-65	-23.3	-179	-57.4	89.9	153.1	0	0	113.2	E126 K166 L171	E126-E168 HydrophobicContact CB-CG 3.96Å; E126-E168 HydrophobicContact CG-CG 4.3Å; K166-E168 VanDerWaalsContact CB-OE2 3.22Å; K166-E168 WeakPolarHBondContact CB-OE2 3.47Å; K166-E168 HydrophobicContact CG-CB 4.3Å; K166-E168 WeakPolarHBondContact CG-OE2 3.34Å; K166-E168 PolarHBondContact O-N 3.01Å; K166-E168 VanDerWaalsContact O-N 3.13Å; E168-L171 VanDerWaalsContact O-CD1 3.3Å; E168-L171 WeakPolarHBondContact O-CD1 3.36Å
169	N	97.9	Very high	94.1	Very high	9 Å²	9	41 Å²	41	5%	0.048	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-97.4	4.9	-179.5	-69.6	-7.1	0	0	0	113.6	Y162 D164 K166 P167 I186	Y162-N169 WeakPolarHBondContact OH-CB 3.4Å; Y162-N169 PolarHBondContact OH-ND2 3.1Å; D164-N169 PolarHBondContact O-ND2 3.26Å; D164-N169 PolarHBondContact OD2-ND2 3.21Å; K166-N169 VanDerWaalsContact CE-CG 3.47Å; K166-N169 WeakPolarHBondContact CE-ND2 3.33Å; K166-N169 WeakPolarHBondContact CE-OD1 3.32Å; K166-N169 HydrophobicContact CG-CB 4.27Å; K166-N169 PolarHBondContact O-N 3.48Å; K166-N169 VanDerWaalsContact O-N 3.08Å; P167-N169 PolarHBondContact O-N 2.73Å; N169-I186 HydrophobicContact CB-CG1 4.28Å; N169-I186 WeakPolarHBondContact O-CG1 3.4Å; N169-I186 PolarHBondContact O-N 3.04Å
170	F	98.6	Very high	93.8	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.5	173.6	-61.3	-71.7	0	0	0	109.1	S124 L125 L148 Y162 V165 K166 P167 I183 H184 I185 L237 M240	S124-F170 CarbonylContact C-O 3.53Å; S124-F170 VanDerWaalsContact CA-O 3.28Å; S124-F170 WeakPolarHBondContact CA-O 3.25Å; L125-F170 HydrophobicContact CD1-CB 3.64Å; L125-F170 HydrophobicContact CD1-CG 4.41Å; L125-F170 HydrophobicContact CG-CB 3.84Å; L125-F170 PolarHBondContact N-O 3.45Å; L148-F170 HydrophobicContact CD1-CD1 4.17Å; L148-F170 HydrophobicContact CD1-CD2 4.14Å; L148-F170 HydrophobicContact CD1-CE1 4.27Å; L148-F170 HydrophobicContact CD1-CE2 4.26Å; L148-F170 HydrophobicContact CD1-CG 4.09Å; L148-F170 HydrophobicContact CD1-CZ 4.32Å; L148-F170 HydrophobicContact CD2-CB 4.42Å; L148-F170 HydrophobicContact CD2-CD1 3.33Å; L148-F170 HydrophobicContact CD2-CE1 3.66Å; L148-F170 HydrophobicContact CD2-CG 3.91Å; L148-F170 HydrophobicContact CD2-CZ 4.48Å; L148-F170 HydrophobicContact CG-CD1 4.4Å; Y162-F170 HydrophobicContact CE1-CZ 4.45Å; V165-F170 HydrophobicContact CG1-CE2 3.98Å; V165-F170 HydrophobicContact CG1-CZ 4.26Å; K166-F170 WeakPolarHBondContact O-CD2 3.46Å; K166-F170 WeakPolarHBondContact O-CE2 3.48Å; P167-F170 PolarHBondContact O-N 3.18Å; F170-I183 HydrophobicContact CB-CG2 3.94Å; F170-H184 CarbonylContact C-O 3.45Å; F170-H184 VanDerWaalsContact CA-O 3.24Å; F170-H184 WeakPolarHBondContact CA-O 3.46Å; F170-I185 HydrophobicContact CD1-CB 4.15Å; F170-I185 HydrophobicContact CD1-CG1 4.25Å; F170-I185 HydrophobicContact CE1-CB 4.03Å; F170-I185 HydrophobicContact CE1-CD1 3.89Å; F170-I185 HydrophobicContact CE1-CG1 3.79Å; F170-I185 HydrophobicContact CZ-CD1 4.47Å; F170-L237 HydrophobicContact CE2-CD2 4.41Å; F170-L237 HydrophobicContact CZ-CD2 4.14Å; F170-M240 HydrophobicContact CD2-CE 3.76Å; F170-M240 HydrophobicContact CD2-SD 3.89Å; F170-M240 HydrophobicContact CE2-CE 3.61Å; F170-M240 HydrophobicContact CE2-SD 3.81Å; F170-M240 HydrophobicContact CZ-CE 4.47Å
171	L	97.7	Very high	93.5	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.6	-172.6	-77	66.8	0	0	0	110.4	L121 P123 E168 H184 I186	L121-L171 HydrophobicContact CB-CB 4.05Å; L121-L171 HydrophobicContact CB-CD2 3.9Å; L121-L171 HydrophobicContact CD1-CB 3.95Å; L121-L171 HydrophobicContact CD1-CD2 4.24Å; P123-L171 WeakPolarHBondContact O-CA 3.46Å; E168-L171 VanDerWaalsContact O-CD1 3.3Å; E168-L171 WeakPolarHBondContact O-CD1 3.36Å; L171-H184 PolarHBondContact N-O 3.38Å; L171-H184 WeakPolarHBondContact O-CB 3.18Å; L171-H184 PolarHBondContact O-N 3.31Å; L171-H184 PolarHBondContact O-ND1 3.06Å; L171-I186 HydrophobicContact CD1-CD1 3.47Å; L171-I186 VanDerWaalsContact CD1-CD1 3.47Å; L171-I186 HydrophobicContact CD1-CG1 3.81Å; L171-I186 HydrophobicContact CD2-CD1 4Å; L171-I186 HydrophobicContact CG-CD1 4.4Å
172	I	96.9	Very high	93.4	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	163.5	171.1	62.5	165.1	0	0	0	111	G122 P123 L128 W328 I333	G122-I172 WeakPolarHBondContact CA-O 3.38Å; G122-I172 PolarHBondContact N-O 3.41Å; P123-I172 HydrophobicContact CG-CD1 3.83Å; P123-I172 HydrophobicContact CG-CG1 3.84Å; P123-I172 PolarHBondContact O-N 3.49Å; P123-I172 VanDerWaalsContact O-N 3.09Å; L128-I172 HydrophobicContact CD1-CD1 4.02Å; L128-I172 HydrophobicContact CD1-CG1 4.12Å; L128-I172 HydrophobicContact CD1-CG2 3.76Å; L128-I172 HydrophobicContact CD2-CD1 4.47Å; I172-W328 HydrophobicContact CG2-CZ2 4.12Å; I172-I333 HydrophobicContact CD1-CD1 4.23Å
173	G	94.4	Very high	93.4	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64.5	165.5	168	0	0	0	0	0	112.2	K179 V182	G173-K179 WeakPolarHBondContact CA-O 3.26Å; G173-K179 PolarHBondContact N-O 2.89Å; G173-V182 PolarHBondContact N-O 2.77Å
174	R	91.6	Very high	93.4	Very high	87 Å²	87	43.7 Å²	43.7	33%	0.328	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-69	141.4	175.2	-70.8	177.8	56.7	-157.7	-6.8	111.1	L120 N177	L120-R174 WeakPolarHBondContact O-CD 3.39Å; L120-R174 WeakPolarHBondContact O-CG 3.31Å; R174-N177 WeakPolarHBondContact O-CB 3.5Å; R174-N177 PolarHBondContact O-N 2.92Å; R174-N177 VanDerWaalsContact O-N 3.08Å
175	Q	85.3	Confident	93.4	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	139	172	-73	-177.3	-36.9	0	0	111.5	N177 I333	Q175-N177 PolarHBondContact O-N 2.82Å; Q175-I333 HydrophobicContact CG-CD1 4.48Å
176	G	79.6	Confident	93.3	Very high	80 Å²	80	45.1 Å²	45.1	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	0.4	-178.3	0	0	0	0	0	114.4	E180	G176-E180 PolarHBondContact N-OE2 2.95Å; G176-E180 VanDerWaalsContact N-OE2 3.09Å
177	N	80.3	Confident	93.2	Very high	65 Å²	65	45.3 Å²	45.3	35%	0.348	23%	0.231	S	C	.	.	S	Bend	trans	-91.5	146.5	165.7	-167.5	-23.4	0	0	0	109.1	R174 Q175 K179 E180	R174-N177 WeakPolarHBondContact O-CB 3.5Å; R174-N177 PolarHBondContact O-N 2.92Å; R174-N177 VanDerWaalsContact O-N 3.08Å; Q175-N177 PolarHBondContact O-N 2.82Å; N177-K179 PolarHBondContact O-N 3.36Å; N177-K179 PolarHBondContact OD1-N 2.84Å; N177-E180 WeakPolarHBondContact O-CB 3.34Å; N177-E180 PolarHBondContact O-N 3.01Å
178	K	84.3	Confident	93	Very high	194 Å²	194	45.3 Å²	45.3	84%	0.843	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.7	175	-63.7	-176	179.5	-177.9	0	113.4	H181	K178-H181 PolarHBondContact O-CE1 2.92Å
179	K	87.4	Confident	92.9	Very high	91 Å²	91	42.3 Å²	42.3	40%	0.396	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	12.7	179.4	-59.9	-175.6	-179.2	178.1	0	114.4	G173 N177 H181 V182	G173-K179 WeakPolarHBondContact CA-O 3.26Å; G173-K179 PolarHBondContact N-O 2.89Å; N177-K179 PolarHBondContact O-N 3.36Å; N177-K179 PolarHBondContact OD1-N 2.84Å; K179-H181 PolarHBondContact O-N 2.76Å; K179-H181 VanDerWaalsContact O-N 3.16Å; K179-V182 HydrophobicContact CB-CB 4.24Å; K179-V182 HydrophobicContact CB-CG2 4.11Å; K179-V182 WeakPolarHBondContact O-CB 3.45Å; K179-V182 PolarHBondContact O-N 3.1Å
180	E	90.9	Very high	92.7	Very high	93 Å²	93	43 Å²	43	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.3	-175	68.4	179.5	-167.9	0	0	114.2	G176 N177	G176-E180 PolarHBondContact N-OE2 2.95Å; G176-E180 VanDerWaalsContact N-OE2 3.09Å; N177-E180 WeakPolarHBondContact O-CB 3.34Å; N177-E180 PolarHBondContact O-N 3.01Å
181	H	92.8	Very high	92.7	Very high	57 Å²	57	43 Å²	43	26%	0.264	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.7	178.3	60.4	-91.5	0	0	0	113.8	Q147 K178 K179 Y324 Y326	Q147-H181 PolarHBondContact NE2-O 3.15Å; K178-H181 PolarHBondContact O-CE1 2.92Å; K179-H181 PolarHBondContact O-N 2.76Å; K179-H181 VanDerWaalsContact O-N 3.16Å; H181-Y324 HydrophobicContact CB-CD1 3.52Å; H181-Y324 HydrophobicContact CB-CD2 4.5Å; H181-Y324 HydrophobicContact CB-CE1 4.17Å; H181-Y324 HydrophobicContact CB-CG 3.68Å; H181-Y324 AromaticContact CD2-CD1 3.53Å; H181-Y324 AromaticContact CD2-CE1 3.22Å; H181-Y324 WeakPolarHBondContact CD2-CE1 3.45Å; H181-Y324 AromaticContact CD2-CG 3.99Å; H181-Y324 AromaticContact CD2-CZ 3.51Å; H181-Y324 AromaticContact CG-CD1 3.71Å; H181-Y324 AromaticContact CG-CE1 3.9Å; H181-Y324 AromaticContact CG-CG 3.86Å; H181-Y324 AromaticContact NE2-CZ 3.94Å; H181-Y326 HydrophobicContact CB-CE2 4.38Å; H181-Y326 PolarHBondContact O-OH 3.4Å
182	V	96.7	Very high	92.7	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-80.7	124.7	-178.3	178.2	0	0	0	0	108.8	E99 G173 K179 H184	E99-V182 HydrophobicContact CG-CG1 4.08Å; G173-V182 PolarHBondContact N-O 2.77Å; K179-V182 HydrophobicContact CB-CB 4.24Å; K179-V182 HydrophobicContact CB-CG2 4.11Å; K179-V182 WeakPolarHBondContact O-CB 3.45Å; K179-V182 PolarHBondContact O-N 3.1Å; V182-H184 PolarHBondContact O-CE1 2.84Å; V182-H184 VanDerWaalsContact O-CE1 3.28Å; V182-H184 PolarHBondContact O-ND1 3.07Å
183	I	98.3	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.7	173.1	-53.3	173.3	0	0	0	108.7	L125 I144 Q147 L148 R151 F170	L125-I183 HydrophobicContact CD1-CG2 4.37Å; I144-I183 HydrophobicContact CB-CD1 3.96Å; I144-I183 HydrophobicContact CG1-CD1 3.67Å; I144-I183 HydrophobicContact CG2-CD1 3.98Å; Q147-I183 HydrophobicContact CB-CD1 4.35Å; L148-I183 HydrophobicContact CD2-CB 4.31Å; L148-I183 HydrophobicContact CD2-CG2 3.6Å; R151-I183 PolarHBondContact NE-O 2.82Å; F170-I183 HydrophobicContact CB-CG2 3.94Å
184	H	98.4	Very high	92.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	146.2	-179.4	-59.9	69.7	0	0	0	110.5	G100 L121 F170 L171 V182	G100-H184 CarbonylContact O-C 3.57Å; G100-H184 WeakPolarHBondContact O-CA 3.47Å; G100-H184 WeakPolarHBondContact O-CB 3.47Å; L121-H184 HydrophobicContact CD1-CB 3.64Å; L121-H184 HydrophobicContact CD2-CB 4.4Å; F170-H184 CarbonylContact C-O 3.45Å; F170-H184 VanDerWaalsContact CA-O 3.24Å; F170-H184 WeakPolarHBondContact CA-O 3.46Å; L171-H184 PolarHBondContact N-O 3.38Å; L171-H184 WeakPolarHBondContact O-CB 3.18Å; L171-H184 PolarHBondContact O-N 3.31Å; L171-H184 PolarHBondContact O-ND1 3.06Å; V182-H184 PolarHBondContact O-CE1 2.84Å; V182-H184 VanDerWaalsContact O-CE1 3.28Å; V182-H184 PolarHBondContact O-ND1 3.07Å
185	I	98.4	Very high	93.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134	171.4	-174.8	174.3	0	0	0	109.6	G100 L101 P102 R151 V155 Y162 F170 F188	G100-I185 PolarHBondContact O-N 3.49Å; L101-I185 HydrophobicContact CD2-CG2 3.6Å; P102-I185 WeakPolarHBondContact CD-O 3.37Å; R151-I185 HydrophobicContact CB-CG2 4.29Å; V155-I185 HydrophobicContact CG2-CD1 4.35Å; Y162-I185 HydrophobicContact CD1-CD1 4.02Å; Y162-I185 HydrophobicContact CD2-CD1 3.79Å; Y162-I185 HydrophobicContact CD2-CG1 4.42Å; Y162-I185 HydrophobicContact CE1-CD1 3.98Å; Y162-I185 HydrophobicContact CE1-CG1 4.37Å; Y162-I185 HydrophobicContact CE2-CD1 3.81Å; Y162-I185 HydrophobicContact CE2-CG1 3.94Å; Y162-I185 HydrophobicContact CG-CD1 3.91Å; F170-I185 HydrophobicContact CD1-CB 4.15Å; F170-I185 HydrophobicContact CD1-CG1 4.25Å; F170-I185 HydrophobicContact CE1-CB 4.03Å; F170-I185 HydrophobicContact CE1-CD1 3.89Å; F170-I185 HydrophobicContact CE1-CG1 3.79Å; F170-I185 HydrophobicContact CZ-CD1 4.47Å; I185-F188 HydrophobicContact CD1-CZ 4.27Å; I185-F188 HydrophobicContact CG1-CZ 4.21Å; I185-F188 HydrophobicContact CG2-CE2 4.42Å; I185-F188 HydrophobicContact CG2-CZ 3.95Å
186	I	96.5	Very high	93.7	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.19	22%	0.217	C	C	.	.			trans	-129.3	179.7	-179	69.6	163.9	0	0	0	111.9	Y91 P102 L121 Y162 N169 L171	Y91-I186 WeakPolarHBondContact OH-CA 3.44Å; P102-I186 HydrophobicContact CG-CG2 4.05Å; L121-I186 HydrophobicContact CD1-CG2 3.66Å; Y162-I186 WeakPolarHBondContact CE2-O 3.42Å; Y162-I186 PolarHBondContact OH-O 2.81Å; N169-I186 HydrophobicContact CB-CG1 4.28Å; N169-I186 WeakPolarHBondContact O-CG1 3.4Å; N169-I186 PolarHBondContact O-N 3.04Å; L171-I186 HydrophobicContact CD1-CD1 3.47Å; L171-I186 VanDerWaalsContact CD1-CD1 3.47Å; L171-I186 HydrophobicContact CD1-CG1 3.81Å; L171-I186 HydrophobicContact CD2-CD1 4Å; L171-I186 HydrophobicContact CG-CD1 4.4Å
187	D	94.6	Very high	94.2	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.107	20%	0.196	C	C	.	.			trans	60.4	68.6	171.5	-158.3	14.6	0	0	0	114.8	K73 E87 Y91 G189	K73-D187 IonicContact NZ-OD1 2.69Å; K73-D187 PolarHBondContact NZ-OD1 3.44Å; E87-D187 WeakPolarHBondContact OE1-CA 3.36Å; Y91-D187 PolarHBondContact OH-N 3.44Å; D187-G189 PolarHBondContact O-N 3Å
188	F	96.1	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-82.6	16.8	176.4	-69.6	-92.8	0	0	0	113.4	E87 F90 Y91 L94 L101 V155 Y162 I185 L190 A191	E87-F188 HydrophobicContact CG-CB 4.11Å; F90-F188 HydrophobicContact CB-CB 4.16Å; F90-F188 HydrophobicContact CD2-CB 4.47Å; Y91-F188 HydrophobicContact CD1-CD2 4.27Å; Y91-F188 HydrophobicContact CD1-CE2 4.42Å; Y91-F188 AromaticContact CE1-CD2 3.68Å; Y91-F188 HydrophobicContact CE1-CD2 3.68Å; Y91-F188 AromaticContact CE1-CE2 3.74Å; Y91-F188 HydrophobicContact CE1-CE2 3.74Å; Y91-F188 HydrophobicContact CE2-CD2 4.05Å; Y91-F188 AromaticContact CZ-CD2 3.56Å; L94-F188 HydrophobicContact CD1-CD1 3.85Å; L94-F188 HydrophobicContact CD1-CD2 4.12Å; L94-F188 HydrophobicContact CD1-CE1 3.49Å; L94-F188 VanDerWaalsContact CD1-CE1 3.49Å; L94-F188 HydrophobicContact CD1-CE2 3.77Å; L94-F188 HydrophobicContact CD1-CG 4.16Å; L94-F188 HydrophobicContact CD1-CZ 3.43Å; L94-F188 VanDerWaalsContact CD1-CZ 3.43Å; L101-F188 HydrophobicContact CD2-CE2 3.84Å; L101-F188 HydrophobicContact CD2-CZ 3.76Å; V155-F188 HydrophobicContact CG1-CE1 4.11Å; V155-F188 HydrophobicContact CG2-CE1 3.78Å; V155-F188 HydrophobicContact CG2-CZ 3.99Å; Y162-F188 AromaticContact CD2-CD1 3.94Å; Y162-F188 HydrophobicContact CD2-CD1 3.94Å; Y162-F188 AromaticContact CD2-CE1 3.84Å; Y162-F188 HydrophobicContact CD2-CE1 3.84Å; Y162-F188 HydrophobicContact CD2-CZ 4.49Å; Y162-F188 HydrophobicContact CE2-CD1 4.28Å; Y162-F188 HydrophobicContact CE2-CE1 4.27Å; I185-F188 HydrophobicContact CD1-CZ 4.27Å; I185-F188 HydrophobicContact CG1-CZ 4.21Å; I185-F188 HydrophobicContact CG2-CE2 4.42Å; I185-F188 HydrophobicContact CG2-CZ 3.95Å; F188-L190 PolarHBondContact O-N 2.94Å; F188-A191 HydrophobicContact CB-CB 4.06Å; F188-A191 HydrophobicContact CD1-CB 3.92Å; F188-A191 WeakPolarHBondContact O-CB 3.21Å; F188-A191 PolarHBondContact O-N 3.09Å
189	G	93.8	Very high	95.5	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.7	-28.6	-178.1	0	0	0	0	0	113.8	Q83 D187	Q83-G189 PolarHBondContact OE1-O 3.38Å; D187-G189 PolarHBondContact O-N 3Å
190	L	94.9	Very high	95.9	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.12	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-100.2	3.1	175.3	-62.4	-175.3	0	0	0	113.6	F55 R163 D164 F188	F55-L190 HydrophobicContact CZ-CD2 4.27Å; R163-L190 PolarHBondContact NE-O 3.23Å; R163-L190 PolarHBondContact NH2-O 3.41Å; D164-L190 HydrophobicContact CB-CB 4.26Å; D164-L190 HydrophobicContact CB-CD1 3.92Å; F188-L190 PolarHBondContact O-N 2.94Å
191	A	97.3	Very high	96.3	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	22%	0.222	C	C	.	.			trans	-65.5	162.9	178.8	0	0	0	0	0	111.8	F90 I161 R163 F188	F90-A191 HydrophobicContact CD2-CB 3.78Å; F90-A191 HydrophobicContact CE2-CB 3.94Å; F90-A191 WeakPolarHBondContact CE2-O 3.41Å; F90-A191 HydrophobicContact CG-CB 4.48Å; I161-A191 CarbonylContact O-C 3.56Å; I161-A191 VanDerWaalsContact O-CA 3.25Å; I161-A191 WeakPolarHBondContact O-CA 3.19Å; I161-A191 WeakPolarHBondContact O-CB 3.42Å; R163-A191 PolarHBondContact NH2-O 3.36Å; F188-A191 HydrophobicContact CB-CB 4.06Å; F188-A191 HydrophobicContact CD1-CB 3.92Å; F188-A191 WeakPolarHBondContact O-CB 3.21Å; F188-A191 PolarHBondContact O-N 3.09Å
192	K	97.2	Very high	96.5	Very high	52 Å²	52	44.1 Å²	44.1	23%	0.226	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.8	179.9	-174.8	-177.3	176.8	-163.6	0	111.3	L160 I161 Y194 E227	L160-K192 CarbonylContact C-O 3.58Å; L160-K192 VanDerWaalsContact CA-O 3.32Å; L160-K192 WeakPolarHBondContact CA-O 3.4Å; I161-K192 HydrophobicContact CD1-CB 4.44Å; I161-K192 HydrophobicContact CG1-CB 4.05Å; I161-K192 WeakPolarHBondContact CG1-O 3.24Å; I161-K192 PolarHBondContact N-O 2.96Å; I161-K192 PolarHBondContact O-N 3.41Å; K192-Y194 PolarHBondContact O-N 3.31Å; K192-E227 IonicContact NZ-OE1 3.29Å; K192-E227 PolarHBondContact NZ-OE1 3.18Å; K192-E227 IonicContact NZ-OE2 3.87Å; K192-E227 PolarHBondContact NZ-OE2 3.28Å
193	E	98.3	Very high	96.6	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.5	168.6	-68.1	168.7	174.4	0	0	109.7	R89 F90 Q93 N159 L160	R89-E193 IonicContact CZ-OE1 2.77Å; R89-E193 IonicContact NH2-OE1 2.67Å; R89-E193 PolarHBondContact NH2-OE1 3.48Å; R89-E193 IonicContact NH2-OE2 2.79Å; F90-E193 HydrophobicContact CE1-CG 4.08Å; Q93-E193 PolarHBondContact OE1-OE1 3.06Å; N159-E193 CarbonylContact O-C 3.44Å; N159-E193 VanDerWaalsContact O-CA 3.29Å; N159-E193 WeakPolarHBondContact O-CA 3.47Å; L160-E193 HydrophobicContact CD2-CB 4.42Å; L160-E193 HydrophobicContact CD2-CG 3.66Å
194	Y	98.5	Very high	96.6	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.047	24%	0.244	C	C	.	.	S	Bend	trans	-97.5	-15.5	176	82.5	-84.9	0	0	0	112.6	H156 N159 I161 K192 H202 I203 R230	H156-Y194 VanDerWaalsContact O-CE1 3.26Å; H156-Y194 WeakPolarHBondContact O-CE1 3.41Å; H156-Y194 PolarHBondContact O-OH 2.91Å; N159-Y194 VanDerWaalsContact CA-CE1 3.47Å; N159-Y194 VanDerWaalsContact O-CD1 3.24Å; N159-Y194 WeakPolarHBondContact O-CD1 3.49Å; N159-Y194 PolarHBondContact O-N 2.99Å; I161-Y194 HydrophobicContact CG2-CD1 3.83Å; I161-Y194 HydrophobicContact CG2-CG 3.93Å; K192-Y194 PolarHBondContact O-N 3.31Å; Y194-H202 AromaticContact CD2-CD2 3.53Å; Y194-H202 AromaticContact CD2-NE2 3.54Å; Y194-H202 AromaticContact CE2-CD2 3.95Å; Y194-H202 CarbonylContact O-C 3.41Å; Y194-H202 WeakPolarHBondContact O-CA 3.3Å; Y194-I203 PolarHBondContact O-N 3.29Å; Y194-R230 HydrophobicContact CD2-CG 4.3Å; Y194-R230 HydrophobicContact CE1-CG 4.29Å; Y194-R230 HydrophobicContact CE2-CG 4.04Å; Y194-R230 PolarHBondContact OH-NH1 3.2Å; Y194-R230 VanDerWaalsContact OH-NH1 3.09Å
195	I	98.3	Very high	96.6	Very high	26 Å²	26	52.4 Å²	52.4	13%	0.133	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-107.2	124.6	164.7	-55.6	-58.1	0	0	0	107.5	N159 K201 H202	N159-I195 HydrophobicContact CB-CB 3.85Å; N159-I195 HydrophobicContact CB-CG1 4.19Å; N159-I195 WeakPolarHBondContact OD1-CG1 3.36Å; I195-K201 WeakPolarHBondContact CA-O 3.43Å; I195-H202 HydrophobicContact CD1-CB 4.18Å
196	D	94.9	Very high	96.5	Very high	59 Å²	59	59.1 Å²	59.1	32%	0.316	29%	0.285	S	S	.	.			trans	-65.7	127.5	176.8	175.8	-84.8	0	0	0	110.3	E198 T199 K200 K201	D196-E198 VanDerWaalsContact C-N 3.25Å; D196-E198 PolarHBondContact O-N 2.95Å; D196-E198 PolarHBondContact OD1-N 3.34Å; D196-E198 VanDerWaalsContact OD1-N 3.07Å; D196-T199 VanDerWaalsContact CB-OG1 3.3Å; D196-T199 WeakPolarHBondContact CB-OG1 3.43Å; D196-T199 VanDerWaalsContact CG-OG1 3.28Å; D196-T199 WeakPolarHBondContact OD1-CB 3.42Å; D196-T199 WeakPolarHBondContact OD1-CG2 3.35Å; D196-T199 PolarHBondContact OD1-N 3.07Å; D196-T199 PolarHBondContact OD1-OG1 2.92Å; D196-K200 VanDerWaalsContact O-CA 3.22Å; D196-K200 WeakPolarHBondContact O-CA 3.41Å; D196-K200 PolarHBondContact O-N 3.34Å; D196-K201 PolarHBondContact N-O 3.41Å
197	P	90.9	Very high	96.5	Very high	59 Å²	59	61.9 Å²	61.9	38%	0.383	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.3	-171.6	25.9	-33.8	0	0	0	113.4	K200	P197-K200 VanDerWaalsContact O-CE 3.29Å; P197-K200 WeakPolarHBondContact O-CE 3.47Å; P197-K200 PolarHBondContact O-NZ 3.39Å
198	E	94.3	Very high	96.5	Very high	171 Å²	171	69.5 Å²	69.5	80%	0.799	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-54.9	-178.8	-62.7	-177.3	-178.8	0	0	111.1	D196	D196-E198 VanDerWaalsContact C-N 3.25Å; D196-E198 PolarHBondContact O-N 2.95Å; D196-E198 PolarHBondContact OD1-N 3.34Å; D196-E198 VanDerWaalsContact OD1-N 3.07Å
199	T	96.5	Very high	96.5	Very high	82 Å²	82	73 Å²	73	50%	0.503	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.1	-175.4	65.6	0	0	0	0	113.4	D196 K201	D196-T199 VanDerWaalsContact CB-OG1 3.3Å; D196-T199 WeakPolarHBondContact CB-OG1 3.43Å; D196-T199 VanDerWaalsContact CG-OG1 3.28Å; D196-T199 WeakPolarHBondContact OD1-CB 3.42Å; D196-T199 WeakPolarHBondContact OD1-CG2 3.35Å; D196-T199 PolarHBondContact OD1-N 3.07Å; D196-T199 PolarHBondContact OD1-OG1 2.92Å; T199-K201 PolarHBondContact O-N 3.14Å; T199-K201 VanDerWaalsContact O-N 3.15Å; T199-K201 PolarHBondContact OG1-N 3.09Å
200	K	96.8	Very high	96.3	Very high	145 Å²	145	76.4 Å²	76.4	63%	0.63	37%	0.37	S	S	*	.			trans	56.8	20.9	-172.8	-52.1	-54.6	-172.5	-166.9	0	113.8	D196 P197	D196-K200 VanDerWaalsContact O-CA 3.22Å; D196-K200 WeakPolarHBondContact O-CA 3.41Å; D196-K200 PolarHBondContact O-N 3.34Å; P197-K200 VanDerWaalsContact O-CE 3.29Å; P197-K200 WeakPolarHBondContact O-CE 3.47Å; P197-K200 PolarHBondContact O-NZ 3.39Å
201	K	97.8	Very high	96.1	Very high	148 Å²	148	78.6 Å²	78.6	64%	0.643	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-99	154.5	178.6	-68.2	-177.7	-178.7	-179.3	0	111.1	I195 D196 T199	I195-K201 WeakPolarHBondContact CA-O 3.43Å; D196-K201 PolarHBondContact N-O 3.41Å; T199-K201 PolarHBondContact O-N 3.14Å; T199-K201 VanDerWaalsContact O-N 3.15Å; T199-K201 PolarHBondContact OG1-N 3.09Å
202	H	98.7	Very high	95.8	Very high	36 Å²	36	79.5 Å²	79.5	17%	0.167	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-61.7	142.4	169.5	-164.7	-71.7	0	0	0	110.4	Y194 I195 F298 F299	Y194-H202 AromaticContact CD2-CD2 3.53Å; Y194-H202 AromaticContact CD2-NE2 3.54Å; Y194-H202 AromaticContact CE2-CD2 3.95Å; Y194-H202 CarbonylContact O-C 3.41Å; Y194-H202 WeakPolarHBondContact O-CA 3.3Å; I195-H202 HydrophobicContact CD1-CB 4.18Å; H202-F298 AromaticContact CE1-CE1 3.55Å; H202-F298 AromaticContact CE1-CZ 3.79Å; H202-F298 AromaticContact ND1-CE1 3.75Å; H202-F299 HydrophobicContact CB-CD1 3.94Å; H202-F299 AromaticContact CG-CD1 3.68Å; H202-F299 AromaticContact ND1-CD1 3.47Å; H202-F299 WeakPolarHBondContact ND1-CD1 3.32Å; H202-F299 AromaticContact ND1-CE1 3.88Å
203	I	98.2	Very high	95.5	Very high	21 Å²	21	77.5 Å²	77.5	11%	0.108	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-53.8	144.4	172.8	56.4	171	0	0	0	110.4	Y194 E227 F298 F299	Y194-I203 PolarHBondContact O-N 3.29Å; I203-E227 HydrophobicContact CD1-CG 3.96Å; I203-F298 HydrophobicContact CD1-CZ 4.41Å; I203-F298 HydrophobicContact CG1-CZ 4.22Å; I203-F298 WeakPolarHBondContact O-CE1 3.19Å; I203-F299 WeakPolarHBondContact O-CE1 3.35Å
204	P	97.9	Very high	95.3	Very high	73 Å²	73	76.5 Å²	76.5	47%	0.474	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.1	149.7	-179.9	28.4	-35.4	0	0	0	110.9
205	Y	98.1	Very high	95.2	Very high	85 Å²	85	76.4 Å²	76.4	33%	0.333	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62.3	135.9	169	-177.8	-107.2	0	0	0	110.4	E207 K226 F298	Y205-E207 HydrophobicContact CE1-CG 3.66Å; Y205-E207 PolarHBondContact OH-OE1 3.47Å; Y205-K226 HydrophobicContact CE2-CB 4.36Å; Y205-K226 HydrophobicContact CE2-CD 4.49Å; Y205-K226 VanDerWaalsContact OH-CD 3.22Å; Y205-K226 WeakPolarHBondContact OH-CD 3.3Å; Y205-K226 VanDerWaalsContact OH-CE 3.27Å; Y205-K226 WeakPolarHBondContact OH-CE 3.29Å; Y205-K226 WeakPolarHBondContact OH-CG 3.43Å; Y205-F298 HydrophobicContact CD2-CB 4.15Å; Y205-F298 AromaticContact CD2-CD1 3.88Å; Y205-F298 HydrophobicContact CD2-CD1 3.88Å; Y205-F298 AromaticContact CD2-CD2 3.93Å; Y205-F298 HydrophobicContact CD2-CD2 3.93Å; Y205-F298 HydrophobicContact CD2-CE1 4.25Å; Y205-F298 HydrophobicContact CD2-CE2 4.3Å; Y205-F298 AromaticContact CD2-CG 3.7Å; Y205-F298 HydrophobicContact CD2-CG 3.7Å; Y205-F298 HydrophobicContact CD2-CZ 4.44Å; Y205-F298 HydrophobicContact CE2-CD2 4.45Å; Y205-F298 HydrophobicContact CE2-CG 4.46Å; Y205-F298 HydrophobicContact CG-CD1 4.42Å
206	R	97.3	Very high	95.2	Very high	142 Å²	142	78.7 Å²	78.7	54%	0.536	39%	0.387	S	S	.	.			trans	-143.6	152.9	175.6	-60.6	-176.8	-177.5	-176.1	3	109.7	K209 E227	R206-K209 HydrophobicContact CB-CD 4.42Å; R206-E227 HydrophobicContact CB-CB 4.16Å; R206-E227 WeakPolarHBondContact O-CB 3.17Å; R206-E227 PolarHBondContact O-N 3.05Å
207	E	96.7	Very high	95.4	Very high	96 Å²	96	75.9 Å²	75.9	45%	0.449	37%	0.372	S	S	.	.			trans	-117.4	-176.3	171.2	-59.3	-167	160.3	0	0	109.9	Y205 K209 G225 K226	Y205-E207 HydrophobicContact CE1-CG 3.66Å; Y205-E207 PolarHBondContact OH-OE1 3.47Å; E207-K209 PolarHBondContact O-N 2.9Å; E207-G225 CarbonylContact C-O 3.6Å; E207-G225 VanDerWaalsContact C-O 3.24Å; E207-G225 WeakPolarHBondContact CA-O 3.26Å; E207-K226 HydrophobicContact CG-CG 4.35Å
208	H	94.4	Very high	95.7	Very high	180 Å²	180	73.5 Å²	73.5	83%	0.833	36%	0.356	S	S	*	.	S	Bend	trans	57.1	30.3	-178.8	-48.7	-58.4	0	0	0	114.4	G225	H208-G225 PolarHBondContact N-O 3.45Å
209	K	95.4	Very high	95.9	Very high	74 Å²	74	65.4 Å²	65.4	32%	0.322	32%	0.318	S	S	.	.			trans	-72.2	145.3	171.5	-59.7	-59.2	-59.1	-169.7	0	110.6	R206 E207 G225 E227	R206-K209 HydrophobicContact CB-CD 4.42Å; E207-K209 PolarHBondContact O-N 2.9Å; K209-G225 WeakPolarHBondContact CB-O 3.18Å; K209-G225 PolarHBondContact N-O 3.18Å; K209-E227 WeakPolarHBondContact CD-OE2 3.46Å; K209-E227 VanDerWaalsContact CE-OE2 3.23Å; K209-E227 WeakPolarHBondContact CE-OE2 3.24Å; K209-E227 HydrophobicContact CG-CB 4.16Å; K209-E227 IonicContact NZ-OE2 2.71Å; K209-E227 PolarHBondContact NZ-OE2 2.71Å; K209-E227 VanDerWaalsContact NZ-OE2 3.15Å
210	S	90.3	Very high	96	Very high	76 Å²	76	62.7 Å²	62.7	53%	0.531	30%	0.3	S	S	.	.			trans	-63.3	146	166.5	51.5	0	0	0	0	110.6	T212	S210-T212 PolarHBondContact O-N 3.36Å
211	L	89.8	Confident	96.1	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.356	28%	0.275	S	S	.	.			trans	-70.8	111.6	178.1	-70.9	150.8	0	0	0	109.1	M218 T222 Y263	L211-M218 HydrophobicContact CD2-SD 4.08Å; L211-T222 WeakPolarHBondContact CD2-O 3.38Å; L211-Y263 HydrophobicContact CB-CD1 3.96Å; L211-Y263 HydrophobicContact CB-CE1 4.09Å; L211-Y263 HydrophobicContact CD1-CD1 3.79Å; L211-Y263 HydrophobicContact CD1-CG 4.23Å; L211-Y263 HydrophobicContact CD2-CD1 4.19Å; L211-Y263 HydrophobicContact CG-CD1 4.18Å
212	T	90.8	Very high	96.1	Very high	22 Å²	22	50 Å²	50	14%	0.135	25%	0.246	C	C	.	.			trans	-117.8	136.9	177	56.9	0	0	0	0	110.6	S210 Q228	S210-T212 PolarHBondContact O-N 3.36Å; T212-Q228 PolarHBondContact O-NE2 3.19Å; T212-Q228 PolarHBondContact OG1-NE2 3.49Å; T212-Q228 VanDerWaalsContact OG1-NE2 3.1Å
213	G	91	Very high	96.1	Very high	11 Å²	11	49.2 Å²	49.2	11%	0.113	24%	0.242	C	C	.	.	S	Bend	trans	101.4	-176.8	-178.7	0	0	0	0	0	113.3	A215 M218	G213-A215 PolarHBondContact O-N 3.02Å; G213-M218 WeakPolarHBondContact O-CE 3.42Å
214	T	94.6	Very high	96	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.129	26%	0.256	C	S	.	.			trans	-83.6	115.5	-173.2	-60.4	0	0	0	0	112.6	D164 K166 R216 Y217 M218	D164-T214 PolarHBondContact OD1-N 3.22Å; D164-T214 PolarHBondContact OD1-OG1 3.39Å; K166-T214 VanDerWaalsContact CD-OG1 3.31Å; K166-T214 WeakPolarHBondContact CD-OG1 3.46Å; T214-R216 HydrophobicContact CG2-CB 4.27Å; T214-R216 PolarHBondContact O-N 3.43Å; T214-Y217 HydrophobicContact CG2-CD2 3.71Å; T214-Y217 HydrophobicContact CG2-CE2 3.99Å; T214-Y217 PolarHBondContact O-N 2.82Å; T214-M218 PolarHBondContact O-N 3.37Å
215	A	96.3	Very high	95.9	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.5	-173.9	0	0	0	0	0	114.7	G213 Y217 H223 Y263 I266 K270	G213-A215 PolarHBondContact O-N 3.02Å; A215-Y217 VanDerWaalsContact C-N 3.32Å; A215-Y217 PolarHBondContact O-N 2.9Å; A215-H223 PolarHBondContact O-NE2 3.32Å; A215-Y263 HydrophobicContact CB-CD1 3.95Å; A215-Y263 HydrophobicContact CB-CD2 4.24Å; A215-Y263 HydrophobicContact CB-CE1 3.67Å; A215-Y263 HydrophobicContact CB-CE2 3.95Å; A215-Y263 HydrophobicContact CB-CG 4.26Å; A215-I266 HydrophobicContact CB-CD1 3.97Å; A215-K270 PolarHBondContact O-NZ 3.42Å
216	R	98.1	Very high	96	Very high	74 Å²	74	47 Å²	47	28%	0.279	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.8	-179.1	-168.1	-173.5	-61.3	141.6	-2.9	111.5	T214 L249 W251 Q252 K270	T214-R216 HydrophobicContact CG2-CB 4.27Å; T214-R216 PolarHBondContact O-N 3.43Å; R216-L249 HydrophobicContact CG-CD1 4.01Å; R216-W251 PolarHBondContact O-NE1 3.45Å; R216-Q252 HydrophobicContact CG-CG 4.18Å; R216-K270 WeakPolarHBondContact O-CE 2.99Å; R216-K270 PolarHBondContact O-NZ 2.76Å
217	Y	98.6	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-28.8	-170.8	-51	-71	0	0	0	113.7	V165 K166 P167 T214 A215 A236 H239 M240 Y243 L249	V165-Y217 VanDerWaalsContact O-CB 3.31Å; V165-Y217 WeakPolarHBondContact O-CB 3.24Å; K166-Y217 HydrophobicContact CB-CD2 3.61Å; K166-Y217 HydrophobicContact CB-CE2 3.64Å; P167-Y217 VanDerWaalsContact CD-CE2 3.49Å; P167-Y217 VanDerWaalsContact CD-OH 3.29Å; P167-Y217 WeakPolarHBondContact CD-OH 3.36Å; P167-Y217 HydrophobicContact CG-CE1 4.35Å; T214-Y217 HydrophobicContact CG2-CD2 3.71Å; T214-Y217 HydrophobicContact CG2-CE2 3.99Å; T214-Y217 PolarHBondContact O-N 2.82Å; A215-Y217 VanDerWaalsContact C-N 3.32Å; A215-Y217 PolarHBondContact O-N 2.9Å; Y217-A236 VanDerWaalsContact O-CA 3.26Å; Y217-A236 WeakPolarHBondContact O-CA 3.05Å; Y217-A236 WeakPolarHBondContact O-CB 3.43Å; Y217-H239 PolarHBondContact O-ND1 2.87Å; Y217-M240 HydrophobicContact CD1-CB 4.1Å; Y217-M240 HydrophobicContact CD1-CG 4.45Å; Y217-M240 HydrophobicContact CE1-CB 4.4Å; Y217-M240 HydrophobicContact CE1-CG 4.33Å; Y217-Y243 HydrophobicContact CE1-CD1 4.07Å; Y217-Y243 AromaticContact CE1-CG 4Å; Y217-Y243 HydrophobicContact CE1-CG 4Å; Y217-Y243 WeakPolarHBondContact OH-CE1 3.21Å; Y217-L249 HydrophobicContact CD1-CD1 4.4Å; Y217-L249 HydrophobicContact CE1-CD1 4.44Å
218	M	98.3	Very high	96.1	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.044	19%	0.189	C	C	.	.	S	Bend	trans	-50.2	151.2	-175.7	68.2	177.7	47.9	0	0	114.2	L211 G213 T214 T222 H223 Y263 K270	L211-M218 HydrophobicContact CD2-SD 4.08Å; G213-M218 WeakPolarHBondContact O-CE 3.42Å; T214-M218 PolarHBondContact O-N 3.37Å; M218-T222 HydrophobicContact CB-CG2 4.06Å; M218-T222 HydrophobicContact CE-CG2 4.12Å; M218-T222 HydrophobicContact CG-CG2 4.3Å; M218-T222 HydrophobicContact SD-CG2 3.73Å; M218-H223 WeakPolarHBondContact CG-NE2 3.47Å; M218-H223 PolarHBondContact SD-NE2 3.49Å; M218-H223 VanDerWaalsContact SD-NE2 3.45Å; M218-Y263 HydrophobicContact CE-CE1 4.02Å; M218-Y263 HydrophobicContact SD-CD1 4.49Å; M218-K270 PolarHBondContact O-NZ 3.29Å
219	S	98.7	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	-62.4	163	-179.9	73.1	0	0	0	0	113.2	N221 T222 H223 D232 E235	S219-N221 VanDerWaalsContact C-N 3.27Å; S219-N221 PolarHBondContact O-N 3.11Å; S219-N221 PolarHBondContact OG-N 3.48Å; S219-T222 PolarHBondContact O-N 3.02Å; S219-T222 PolarHBondContact OG-N 3.33Å; S219-T222 PolarHBondContact OG-OG1 2.96Å; S219-H223 PolarHBondContact O-CD2 3.24Å; S219-H223 PolarHBondContact O-N 3.32Å; S219-D232 VanDerWaalsContact CB-OD1 3.3Å; S219-D232 WeakPolarHBondContact CB-OD1 3.33Å; S219-D232 PolarHBondContact OG-OD1 2.79Å; S219-E235 WeakPolarHBondContact CA-OE1 3.47Å; S219-E235 WeakPolarHBondContact CB-OE2 3.46Å
220	I	98.6	Very high	96.5	Very high	25 Å²	25	25.6 Å²	25.6	13%	0.128	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-40	170.1	-70.8	170.8	0	0	0	110.8	T222 H223 L224 E235 K270 R271 R294	I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 3.42Å; I220-H223 WeakPolarHBondContact O-CB 3.4Å; I220-H223 PolarHBondContact O-N 3.21Å; I220-H223 VanDerWaalsContact O-N 3.16Å; I220-L224 HydrophobicContact CG2-CD1 4.16Å; I220-L224 WeakPolarHBondContact O-CG 3.36Å; I220-L224 PolarHBondContact O-N 3.04Å; I220-L224 VanDerWaalsContact O-N 3.11Å; I220-E235 PolarHBondContact N-OE1 3.45Å; I220-K270 HydrophobicContact CD1-CB 4.48Å; I220-K270 HydrophobicContact CG1-CB 3.99Å; I220-R271 HydrophobicContact CD1-CG 4.22Å; I220-R271 HydrophobicContact CG1-CG 4.26Å; I220-R271 HydrophobicContact CG2-CG 3.52Å; I220-R294 VanDerWaalsContact CD1-CZ 3.5Å
221	N	98.5	Very high	96.9	Very high	22 Å²	22	23 Å²	23	12%	0.118	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-37.5	179.7	-73.9	-46.9	0	0	0	112.2	S219 H223 L224 G225 K226 D232	S219-N221 VanDerWaalsContact C-N 3.27Å; S219-N221 PolarHBondContact O-N 3.11Å; S219-N221 PolarHBondContact OG-N 3.48Å; N221-H223 VanDerWaalsContact C-N 3.34Å; N221-H223 PolarHBondContact O-N 3.04Å; N221-L224 CarbonylContact O-C 3.47Å; N221-L224 PolarHBondContact O-N 3.46Å; N221-L224 VanDerWaalsContact O-N 3.12Å; N221-G225 PolarHBondContact O-N 3.31Å; N221-K226 HydrophobicContact CB-CB 4.27Å; N221-K226 HydrophobicContact CB-CD 4.07Å; N221-K226 WeakPolarHBondContact O-CB 3.22Å; N221-K226 PolarHBondContact O-N 3.13Å; N221-K226 VanDerWaalsContact O-N 3.1Å; N221-K226 WeakPolarHBondContact OD1-CD 3.5Å; N221-D232 WeakPolarHBondContact CB-OD1 3.31Å
222	T	98	Very high	97.3	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173.3	-58.9	0	0	0	0	111.2	L211 M218 S219 I220 L224 G225 Q228	L211-T222 WeakPolarHBondContact CD2-O 3.38Å; M218-T222 HydrophobicContact CB-CG2 4.06Å; M218-T222 HydrophobicContact CE-CG2 4.12Å; M218-T222 HydrophobicContact CG-CG2 4.3Å; M218-T222 HydrophobicContact SD-CG2 3.73Å; S219-T222 PolarHBondContact O-N 3.02Å; S219-T222 PolarHBondContact OG-N 3.33Å; S219-T222 PolarHBondContact OG-OG1 2.96Å; I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 3.42Å; T222-L224 PolarHBondContact O-N 3.2Å; T222-G225 PolarHBondContact O-N 3.04Å; T222-Q228 HydrophobicContact CG2-CG 4.31Å; T222-Q228 VanDerWaalsContact OG1-CG 3.29Å; T222-Q228 WeakPolarHBondContact OG1-CG 3.41Å
223	H	97.7	Very high	97.7	Very high	20 Å²	20	19 Å²	19	9%	0.093	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-31.5	174.2	-87.7	-71.8	0	0	0	113.2	A215 M218 S219 I220 N221 G225 Y263 G267	A215-H223 PolarHBondContact O-NE2 3.32Å; M218-H223 WeakPolarHBondContact CG-NE2 3.47Å; M218-H223 PolarHBondContact SD-NE2 3.49Å; M218-H223 VanDerWaalsContact SD-NE2 3.45Å; S219-H223 PolarHBondContact O-CD2 3.24Å; S219-H223 PolarHBondContact O-N 3.32Å; I220-H223 WeakPolarHBondContact O-CB 3.4Å; I220-H223 PolarHBondContact O-N 3.21Å; I220-H223 VanDerWaalsContact O-N 3.16Å; N221-H223 VanDerWaalsContact C-N 3.34Å; N221-H223 PolarHBondContact O-N 3.04Å; H223-G225 PolarHBondContact O-N 2.96Å; H223-Y263 PolarHBondContact CE1-O 3.03Å; H223-Y263 VanDerWaalsContact CE1-O 3.26Å; H223-Y263 PolarHBondContact ND1-O 3.27Å; H223-Y263 VanDerWaalsContact ND1-O 3.17Å; H223-G267 VanDerWaalsContact CG-CA 3.48Å
224	L	96.7	Very high	98.1	Very high	74 Å²	74	18.4 Å²	18.4	39%	0.387	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	5.8	176	-62.5	173.6	0	0	0	113.5	I220 N221 T222 K226	I220-L224 HydrophobicContact CG2-CD1 4.16Å; I220-L224 WeakPolarHBondContact O-CG 3.36Å; I220-L224 PolarHBondContact O-N 3.04Å; I220-L224 VanDerWaalsContact O-N 3.11Å; N221-L224 CarbonylContact O-C 3.47Å; N221-L224 PolarHBondContact O-N 3.46Å; N221-L224 VanDerWaalsContact O-N 3.12Å; T222-L224 PolarHBondContact O-N 3.2Å; L224-K226 VanDerWaalsContact C-N 3.26Å; L224-K226 HydrophobicContact CB-CD 4.39Å; L224-K226 HydrophobicContact CB-CG 4.26Å; L224-K226 PolarHBondContact O-N 3.43Å
225	G	97.1	Very high	98.3	Very high	10 Å²	10	17.5 Å²	17.5	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	22.9	-179.6	0	0	0	0	0	113.4	E207 H208 K209 N221 T222 H223	E207-G225 CarbonylContact C-O 3.6Å; E207-G225 VanDerWaalsContact C-O 3.24Å; E207-G225 WeakPolarHBondContact CA-O 3.26Å; H208-G225 PolarHBondContact N-O 3.45Å; K209-G225 WeakPolarHBondContact CB-O 3.18Å; K209-G225 PolarHBondContact N-O 3.18Å; N221-G225 PolarHBondContact O-N 3.31Å; T222-G225 PolarHBondContact O-N 3.04Å; H223-G225 PolarHBondContact O-N 2.96Å
226	K	98.3	Very high	98.4	Very high	50 Å²	50	17.3 Å²	17.3	22%	0.217	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-80.8	147.7	174.6	-61.1	176.2	173.4	-177.4	0	109.8	Y205 E207 N221 L224 Q228	Y205-K226 HydrophobicContact CE2-CB 4.36Å; Y205-K226 HydrophobicContact CE2-CD 4.49Å; Y205-K226 VanDerWaalsContact OH-CD 3.22Å; Y205-K226 WeakPolarHBondContact OH-CD 3.3Å; Y205-K226 VanDerWaalsContact OH-CE 3.27Å; Y205-K226 WeakPolarHBondContact OH-CE 3.29Å; Y205-K226 WeakPolarHBondContact OH-CG 3.43Å; E207-K226 HydrophobicContact CG-CG 4.35Å; N221-K226 HydrophobicContact CB-CB 4.27Å; N221-K226 HydrophobicContact CB-CD 4.07Å; N221-K226 WeakPolarHBondContact O-CB 3.22Å; N221-K226 PolarHBondContact O-N 3.13Å; N221-K226 VanDerWaalsContact O-N 3.1Å; N221-K226 WeakPolarHBondContact OD1-CD 3.5Å; L224-K226 VanDerWaalsContact C-N 3.26Å; L224-K226 HydrophobicContact CB-CD 4.39Å; L224-K226 HydrophobicContact CB-CG 4.26Å; L224-K226 PolarHBondContact O-N 3.43Å; K226-Q228 PolarHBondContact O-N 2.98Å
227	E	98.4	Very high	98.5	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.028	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-58.3	135.5	171.5	-168.5	70.4	-103.6	0	0	109.3	K192 I203 R206 K209 F298	K192-E227 IonicContact NZ-OE1 3.29Å; K192-E227 PolarHBondContact NZ-OE1 3.18Å; K192-E227 IonicContact NZ-OE2 3.87Å; K192-E227 PolarHBondContact NZ-OE2 3.28Å; I203-E227 HydrophobicContact CD1-CG 3.96Å; R206-E227 HydrophobicContact CB-CB 4.16Å; R206-E227 WeakPolarHBondContact O-CB 3.17Å; R206-E227 PolarHBondContact O-N 3.05Å; K209-E227 WeakPolarHBondContact CD-OE2 3.46Å; K209-E227 VanDerWaalsContact CE-OE2 3.23Å; K209-E227 WeakPolarHBondContact CE-OE2 3.24Å; K209-E227 HydrophobicContact CG-CB 4.16Å; K209-E227 IonicContact NZ-OE2 2.71Å; K209-E227 PolarHBondContact NZ-OE2 2.71Å; K209-E227 VanDerWaalsContact NZ-OE2 3.15Å; E227-F298 HydrophobicContact CB-CE2 4.15Å; E227-F298 HydrophobicContact CB-CZ 4.19Å; E227-F298 HydrophobicContact CG-CE2 4.43Å; E227-F298 HydrophobicContact CG-CZ 4.2Å; E227-F298 WeakPolarHBondContact O-CE2 3.19Å
228	Q	98.8	Very high	98.5	Very high	11 Å²	11	13.9 Å²	13.9	5%	0.051	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-79.1	144.6	-179.3	-66.1	-175.1	58.7	0	0	110.1	I161 R163 T212 T222 K226 D232	I161-Q228 HydrophobicContact CD1-CB 4.15Å; I161-Q228 WeakPolarHBondContact CD1-O 3Å; R163-Q228 HydrophobicContact CG-CB 4.25Å; T212-Q228 PolarHBondContact O-NE2 3.19Å; T212-Q228 PolarHBondContact OG1-NE2 3.49Å; T212-Q228 VanDerWaalsContact OG1-NE2 3.1Å; T222-Q228 HydrophobicContact CG2-CG 4.31Å; T222-Q228 VanDerWaalsContact OG1-CG 3.29Å; T222-Q228 WeakPolarHBondContact OG1-CG 3.41Å; K226-Q228 PolarHBondContact O-N 2.98Å; Q228-D232 WeakPolarHBondContact CA-OD2 3.47Å; Q228-D232 HydrophobicContact CB-CB 4.28Å; Q228-D232 HydrophobicContact CG-CB 4.36Å
229	S	98.8	Very high	98.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.068	C	C	.	.			trans	-136.4	-169.2	167.4	78	0	0	0	0	110.9	R231 D232 F298	S229-R231 PolarHBondContact O-N 3.34Å; S229-R231 VanDerWaalsContact O-N 3.12Å; S229-D232 PolarHBondContact N-OD2 3.08Å; S229-D232 WeakPolarHBondContact O-CB 3.43Å; S229-D232 PolarHBondContact O-N 2.94Å; S229-F298 VanDerWaalsContact CB-O 3.26Å; S229-F298 WeakPolarHBondContact CB-O 3.47Å; S229-F298 PolarHBondContact OG-O 3.3Å
230	R	98.9	Very high	98.5	Very high	23 Å²	23	13.4 Å²	13.4	9%	0.087	7%	0.068	C	C	.	.	H	α-helix	trans	-54.5	-33.2	-175.7	-62.4	176.4	-75.1	-150.2	-2.5	113.9	H156 I161 Y194 D232 L234 F299 E300 P302	H156-R230 HydrophobicContact CB-CG 4.3Å; H156-R230 WeakPolarHBondContact NE2-CA 3.15Å; I161-R230 HydrophobicContact CG2-CG 4.04Å; Y194-R230 HydrophobicContact CD2-CG 4.3Å; Y194-R230 HydrophobicContact CE1-CG 4.29Å; Y194-R230 HydrophobicContact CE2-CG 4.04Å; Y194-R230 PolarHBondContact OH-NH1 3.2Å; Y194-R230 VanDerWaalsContact OH-NH1 3.09Å; R230-D232 VanDerWaalsContact C-N 3.26Å; R230-D232 PolarHBondContact O-N 2.85Å; R230-L234 PolarHBondContact O-N 3.15Å; R230-F299 PolarHBondContact NH2-O 2.96Å; R230-E300 PolarHBondContact NE-O 3Å; R230-E300 PolarHBondContact NH2-O 3.09Å; R230-P302 HydrophobicContact CB-CG 4.01Å
231	R	98.8	Very high	98.5	Very high	23 Å²	23	12.3 Å²	12.3	9%	0.087	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-31.7	179.9	68.5	-176.3	178.9	-178.4	-4.8	112.5	S229 L234 E235 L296 F298	S229-R231 PolarHBondContact O-N 3.34Å; S229-R231 VanDerWaalsContact O-N 3.12Å; R231-L234 PolarHBondContact O-N 3Å; R231-E235 PolarHBondContact O-N 3.29Å; R231-L296 HydrophobicContact CB-CB 3.77Å; R231-L296 HydrophobicContact CB-CD1 3.9Å; R231-L296 WeakPolarHBondContact CD-O 3.42Å; R231-L296 PolarHBondContact NH1-O 2.8Å; R231-F298 VanDerWaalsContact CZ-CA 3.5Å
232	D	98.9	Very high	98.5	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.011	6%	0.057	C	C	.	.	H	α-helix	trans	-74.2	-35.4	-175.1	-60.1	-71.9	0	0	0	111.6	S219 N221 Q228 S229 R230 L234 A236	S219-D232 VanDerWaalsContact CB-OD1 3.3Å; S219-D232 WeakPolarHBondContact CB-OD1 3.33Å; S219-D232 PolarHBondContact OG-OD1 2.79Å; N221-D232 WeakPolarHBondContact CB-OD1 3.31Å; Q228-D232 WeakPolarHBondContact CA-OD2 3.47Å; Q228-D232 HydrophobicContact CB-CB 4.28Å; Q228-D232 HydrophobicContact CG-CB 4.36Å; S229-D232 PolarHBondContact N-OD2 3.08Å; S229-D232 WeakPolarHBondContact O-CB 3.43Å; S229-D232 PolarHBondContact O-N 2.94Å; R230-D232 VanDerWaalsContact C-N 3.26Å; R230-D232 PolarHBondContact O-N 2.85Å; D232-L234 VanDerWaalsContact C-N 3.34Å; D232-A236 WeakPolarHBondContact O-CB 3.36Å; D232-A236 PolarHBondContact O-N 3.44Å
233	D	98.9	Very high	98.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.011	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-40.7	171.4	-77.2	-33.9	0	0	0	111.5	M152 H156 I161 Y162 R163 V165 A236 L237	M152-D233 HydrophobicContact CE-CB 3.96Å; M152-D233 HydrophobicContact CG-CB 4.09Å; M152-D233 HydrophobicContact SD-CB 3.64Å; H156-D233 IonicContact NE2-OD2 3.65Å; H156-D233 PolarHBondContact NE2-OD2 3.4Å; I161-D233 WeakPolarHBondContact CA-OD2 3.29Å; I161-D233 WeakPolarHBondContact CB-OD2 3.48Å; Y162-D233 PolarHBondContact N-OD2 3.47Å; R163-D233 WeakPolarHBondContact CA-OD1 3.33Å; R163-D233 PolarHBondContact N-OD1 3.03Å; V165-D233 HydrophobicContact CG2-CB 4.47Å; D233-A236 PolarHBondContact O-N 3.49Å; D233-L237 PolarHBondContact O-N 3.13Å
234	L	98.9	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-72.4	-40.2	178.5	-62.9	-178	0	0	0	112.7	L149 M152 R230 R231 D232 A236 L237 G238 Y289 V293 L296 P302 Y304 L307	L149-L234 HydrophobicContact CD2-CD2 3.91Å; M152-L234 HydrophobicContact CB-CD2 4.42Å; M152-L234 HydrophobicContact CG-CD2 4.04Å; R230-L234 PolarHBondContact O-N 3.15Å; R231-L234 PolarHBondContact O-N 3Å; D232-L234 VanDerWaalsContact C-N 3.34Å; L234-A236 VanDerWaalsContact C-N 3.26Å; L234-A236 PolarHBondContact O-N 3.35Å; L234-L237 HydrophobicContact CD2-CD1 4.14Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.24Å; L234-G238 PolarHBondContact O-N 3.4Å; L234-Y289 WeakPolarHBondContact O-CE1 3.41Å; L234-Y289 PolarHBondContact O-OH 3.07Å; L234-V293 HydrophobicContact CB-CB 4.18Å; L234-V293 HydrophobicContact CB-CG1 3.72Å; L234-V293 HydrophobicContact CD1-CG1 4.39Å; L234-L296 HydrophobicContact CD1-CD1 4.48Å; L234-P302 HydrophobicContact CD1-CB 3.36Å; L234-P302 HydrophobicContact CD1-CG 3.48Å; L234-P302 VanDerWaalsContact CD1-CG 3.48Å; L234-Y304 HydrophobicContact CD1-CD1 4.4Å; L234-Y304 HydrophobicContact CD1-CE1 3.97Å; L234-Y304 HydrophobicContact CD2-CD1 4.38Å; L234-Y304 HydrophobicContact CD2-CE1 4.09Å; L234-Y304 HydrophobicContact CG-CE1 4.44Å; L234-L307 HydrophobicContact CD1-CD1 3.91Å
235	E	98.9	Very high	98.7	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.009	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-39.1	172.9	-170.1	-178.9	144.8	0	0	111.3	S219 I220 R231 G238 H239 V293 R294	S219-E235 WeakPolarHBondContact CA-OE1 3.47Å; S219-E235 WeakPolarHBondContact CB-OE2 3.46Å; I220-E235 PolarHBondContact N-OE1 3.45Å; R231-E235 PolarHBondContact O-N 3.29Å; E235-G238 PolarHBondContact O-N 2.81Å; E235-H239 PolarHBondContact O-N 2.95Å; E235-H239 PolarHBondContact O-ND1 3.06Å; E235-H239 IonicContact OE1-CE1 2.79Å; E235-H239 PolarHBondContact OE1-CE1 3.47Å; E235-H239 IonicContact OE1-NE2 2.87Å; E235-V293 HydrophobicContact CB-CG2 4.03Å; E235-V293 HydrophobicContact CG-CG2 4.35Å; E235-R294 HydrophobicContact CG-CG 4.07Å; E235-R294 IonicContact OE1-NE 3.53Å; E235-R294 WeakPolarHBondContact OE2-CG 3.47Å
236	A	98.9	Very high	98.8	Very high	5 Å²	5	11.1 Å²	11.1	4%	0.041	5%	0.048	C	C	.	.	H	α-helix	trans	-66.4	-36.8	176.3	0	0	0	0	0	113.1	V165 Y217 D232 D233 L234 G238 H239 M240	V165-A236 HydrophobicContact CB-CB 3.68Å; V165-A236 HydrophobicContact CG1-CB 4.03Å; V165-A236 HydrophobicContact CG2-CB 4.11Å; Y217-A236 VanDerWaalsContact O-CA 3.26Å; Y217-A236 WeakPolarHBondContact O-CA 3.05Å; Y217-A236 WeakPolarHBondContact O-CB 3.43Å; D232-A236 WeakPolarHBondContact O-CB 3.36Å; D232-A236 PolarHBondContact O-N 3.44Å; D233-A236 PolarHBondContact O-N 3.49Å; L234-A236 VanDerWaalsContact C-N 3.26Å; L234-A236 PolarHBondContact O-N 3.35Å; A236-G238 VanDerWaalsContact C-N 3.35Å; A236-H239 PolarHBondContact O-N 3.03Å; A236-M240 WeakPolarHBondContact O-CB 3.29Å; A236-M240 PolarHBondContact O-N 2.85Å
237	L	98.9	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.5	-44.1	170.3	-78.6	176.9	0	0	0	111.3	L148 M152 V165 F170 D233 L234 H239 M240 F241	L148-L237 HydrophobicContact CB-CD1 4.49Å; L148-L237 HydrophobicContact CB-CD2 4.01Å; L148-L237 HydrophobicContact CD1-CD2 3.87Å; M152-L237 HydrophobicContact CB-CD1 4.07Å; M152-L237 HydrophobicContact CE-CD1 4.32Å; M152-L237 HydrophobicContact CG-CD1 4.32Å; V165-L237 HydrophobicContact CG1-CD2 3.7Å; V165-L237 HydrophobicContact CG1-CG 4.01Å; F170-L237 HydrophobicContact CE2-CD2 4.41Å; F170-L237 HydrophobicContact CZ-CD2 4.14Å; D233-L237 PolarHBondContact O-N 3.13Å; L234-L237 HydrophobicContact CD2-CD1 4.14Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.24Å; L237-H239 PolarHBondContact O-N 2.88Å; L237-M240 HydrophobicContact CD2-CE 3.64Å; L237-M240 CarbonylContact O-C 3.55Å; L237-M240 WeakPolarHBondContact O-CA 3.08Å; L237-M240 WeakPolarHBondContact O-CB 3.27Å; L237-M240 PolarHBondContact O-N 3.01Å; L237-F241 HydrophobicContact CB-CE1 4.42Å; L237-F241 HydrophobicContact CB-CE2 3.98Å; L237-F241 HydrophobicContact CB-CZ 3.8Å; L237-F241 HydrophobicContact CD2-CE1 4.3Å; L237-F241 HydrophobicContact CD2-CZ 4.2Å; L237-F241 HydrophobicContact CG-CZ 4.4Å; L237-F241 WeakPolarHBondContact O-CD1 3.49Å; L237-F241 WeakPolarHBondContact O-CD2 3.39Å; L237-F241 WeakPolarHBondContact O-CG 3.38Å; L237-F241 PolarHBondContact O-N 3.42Å
238	G	98.9	Very high	98.8	Very high	2 Å²	2	12 Å²	12	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-44.5	176	0	0	0	0	0	113.1	L234 E235 A236 M240 F241 M242 Y289	L234-G238 PolarHBondContact O-N 3.4Å; E235-G238 PolarHBondContact O-N 2.81Å; A236-G238 VanDerWaalsContact C-N 3.35Å; G238-M240 VanDerWaalsContact C-N 3.28Å; G238-M240 PolarHBondContact O-N 2.79Å; G238-F241 PolarHBondContact O-N 3.34Å; G238-M242 WeakPolarHBondContact O-CG 3.22Å; G238-M242 PolarHBondContact O-N 2.99Å; G238-M242 VanDerWaalsContact O-N 3.09Å; G238-Y289 VanDerWaalsContact CA-CE1 3.48Å
239	H	98.9	Very high	98.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-37.7	172.8	-65.8	143.2	0	0	0	112.1	Y217 E235 A236 L237 Y243 W251 R294	Y217-H239 PolarHBondContact O-ND1 2.87Å; E235-H239 PolarHBondContact O-N 2.95Å; E235-H239 PolarHBondContact O-ND1 3.06Å; E235-H239 IonicContact OE1-CE1 2.79Å; E235-H239 PolarHBondContact OE1-CE1 3.47Å; E235-H239 IonicContact OE1-NE2 2.87Å; A236-H239 PolarHBondContact O-N 3.03Å; L237-H239 PolarHBondContact O-N 2.88Å; H239-Y243 WeakPolarHBondContact O-CB 3.23Å; H239-Y243 PolarHBondContact O-N 2.68Å; H239-W251 HydrophobicContact CB-CZ2 4.37Å; H239-W251 AromaticContact CD2-CH2 3.67Å; H239-W251 AromaticContact CD2-CZ2 3.71Å; H239-R294 PolarHBondContact NE2-NH2 3.27Å; H239-R294 VanDerWaalsContact NE2-NH2 3.13Å
240	M	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.7	-38.6	177.8	-169.2	177	72.6	0	0	112.7	L148 V165 P167 F170 Y217 A236 L237 G238 Y243 F244	L148-M240 HydrophobicContact CD1-CE 3.28Å; V165-M240 HydrophobicContact CG1-CE 4.38Å; V165-M240 HydrophobicContact CG1-SD 4.19Å; P167-M240 HydrophobicContact CB-SD 4.42Å; P167-M240 HydrophobicContact CG-CG 3.79Å; P167-M240 HydrophobicContact CG-SD 3.81Å; P167-M240 VanDerWaalsContact N-SD 3.44Å; F170-M240 HydrophobicContact CD2-CE 3.76Å; F170-M240 HydrophobicContact CD2-SD 3.89Å; F170-M240 HydrophobicContact CE2-CE 3.61Å; F170-M240 HydrophobicContact CE2-SD 3.81Å; F170-M240 HydrophobicContact CZ-CE 4.47Å; Y217-M240 HydrophobicContact CD1-CB 4.1Å; Y217-M240 HydrophobicContact CD1-CG 4.45Å; Y217-M240 HydrophobicContact CE1-CB 4.4Å; Y217-M240 HydrophobicContact CE1-CG 4.33Å; A236-M240 WeakPolarHBondContact O-CB 3.29Å; A236-M240 PolarHBondContact O-N 2.85Å; L237-M240 HydrophobicContact CD2-CE 3.64Å; L237-M240 CarbonylContact O-C 3.55Å; L237-M240 WeakPolarHBondContact O-CA 3.08Å; L237-M240 WeakPolarHBondContact O-CB 3.27Å; L237-M240 PolarHBondContact O-N 3.01Å; G238-M240 VanDerWaalsContact C-N 3.28Å; G238-M240 PolarHBondContact O-N 2.79Å; M240-Y243 WeakPolarHBondContact O-CB 3.49Å; M240-Y243 PolarHBondContact O-N 3.47Å; M240-F244 HydrophobicContact CE-CE2 4.07Å; M240-F244 HydrophobicContact CG-CD2 4.33Å; M240-F244 HydrophobicContact CG-CE2 3.71Å; M240-F244 HydrophobicContact CG-CZ 3.9Å; M240-F244 WeakPolarHBondContact O-CD2 3.26Å; M240-F244 WeakPolarHBondContact O-CG 3.43Å; M240-F244 PolarHBondContact O-N 2.81Å; M240-F244 HydrophobicContact SD-CE2 4.22Å; M240-F244 HydrophobicContact SD-CZ 4.23Å
241	F	98.9	Very high	98.8	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-45	174	-55.8	-30.2	0	0	0	111.1	V141 A145 L148 L237 G238 Y243 F244 L245 Y289 F311	V141-F241 HydrophobicContact CG1-CB 4.09Å; A145-F241 HydrophobicContact CB-CD1 4.12Å; A145-F241 HydrophobicContact CB-CD2 4.18Å; A145-F241 HydrophobicContact CB-CE1 3.72Å; A145-F241 HydrophobicContact CB-CE2 3.79Å; A145-F241 HydrophobicContact CB-CG 4.35Å; A145-F241 HydrophobicContact CB-CZ 3.54Å; L148-F241 HydrophobicContact CD1-CE1 4.24Å; L237-F241 HydrophobicContact CB-CE1 4.42Å; L237-F241 HydrophobicContact CB-CE2 3.98Å; L237-F241 HydrophobicContact CB-CZ 3.8Å; L237-F241 HydrophobicContact CD2-CE1 4.3Å; L237-F241 HydrophobicContact CD2-CZ 4.2Å; L237-F241 HydrophobicContact CG-CZ 4.4Å; L237-F241 WeakPolarHBondContact O-CD1 3.49Å; L237-F241 WeakPolarHBondContact O-CD2 3.39Å; L237-F241 WeakPolarHBondContact O-CG 3.38Å; L237-F241 PolarHBondContact O-N 3.42Å; G238-F241 PolarHBondContact O-N 3.34Å; F241-Y243 VanDerWaalsContact C-N 3.29Å; F241-Y243 PolarHBondContact O-N 3.32Å; F241-F244 PolarHBondContact O-N 3.44Å; F241-L245 WeakPolarHBondContact O-CG 3.48Å; F241-L245 PolarHBondContact O-N 3.01Å; F241-Y289 HydrophobicContact CE2-CE1 4.43Å; F241-Y289 HydrophobicContact CE2-CE2 4.36Å; F241-F311 HydrophobicContact CD2-CE2 4.28Å; F241-F311 HydrophobicContact CD2-CZ 4.28Å; F241-F311 HydrophobicContact CE2-CE2 4.02Å; F241-F311 HydrophobicContact CE2-CZ 4.45Å
242	M	98.9	Very high	98.6	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-34.1	175.1	-68.3	-50.4	-52.5	0	0	112.5	G238 L245 R246 L249 L278 C279 F282 M286 L290	G238-M242 WeakPolarHBondContact O-CG 3.22Å; G238-M242 PolarHBondContact O-N 2.99Å; G238-M242 VanDerWaalsContact O-N 3.09Å; M242-L245 PolarHBondContact O-N 3.37Å; M242-L245 HydrophobicContact SD-CD1 4.18Å; M242-R246 HydrophobicContact CE-CG 4Å; M242-R246 WeakPolarHBondContact O-CB 3.21Å; M242-R246 WeakPolarHBondContact O-CG 3.45Å; M242-R246 PolarHBondContact O-N 3.37Å; M242-L249 HydrophobicContact CB-CD2 4.09Å; M242-L278 HydrophobicContact CB-CG 4.44Å; M242-L278 VanDerWaalsContact CE-O 3.25Å; M242-L278 WeakPolarHBondContact CE-O 3.28Å; M242-L278 HydrophobicContact CG-CD2 4.3Å; M242-L278 HydrophobicContact CG-CG 4.25Å; M242-C279 HydrophobicContact CE-CB 4.37Å; M242-C279 VanDerWaalsContact SD-SG 3.64Å; M242-F282 HydrophobicContact CE-CD2 3.69Å; M242-F282 HydrophobicContact CE-CE2 4.18Å; M242-F282 HydrophobicContact CE-CG 4.16Å; M242-M286 HydrophobicContact SD-CB 3.79Å; M242-M286 HydrophobicContact SD-CG 4.11Å; M242-M286 HydrophobicContact SD-SD 4.39Å; M242-L290 HydrophobicContact CG-CD1 4.13Å
243	Y	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-47	172.8	167.9	-105.3	0	0	0	111.9	E126 F129 R134 P167 Y217 H239 M240 F241 L245 R246 G247 L249	E126-Y243 PolarHBondContact OE1-OH 3.17Å; E126-Y243 WeakPolarHBondContact OE2-CE1 3.36Å; E126-Y243 PolarHBondContact OE2-OH 2.73Å; E126-Y243 VanDerWaalsContact OE2-OH 3.07Å; F129-Y243 AromaticContact CD1-CE1 3.86Å; F129-Y243 HydrophobicContact CD1-CE1 3.86Å; F129-Y243 AromaticContact CD1-CZ 3.99Å; F129-Y243 HydrophobicContact CE1-CD1 4.29Å; F129-Y243 AromaticContact CE1-CE1 3.57Å; F129-Y243 HydrophobicContact CE1-CE1 3.57Å; F129-Y243 HydrophobicContact CE1-CE2 4.15Å; F129-Y243 AromaticContact CE1-CZ 3.51Å; F129-Y243 HydrophobicContact CZ-CD1 4.49Å; F129-Y243 HydrophobicContact CZ-CE1 4.2Å; R134-Y243 PolarHBondContact NH2-OH 3.34Å; P167-Y243 HydrophobicContact CG-CD1 4.07Å; P167-Y243 HydrophobicContact CG-CE1 3.87Å; Y217-Y243 HydrophobicContact CE1-CD1 4.07Å; Y217-Y243 AromaticContact CE1-CG 4Å; Y217-Y243 HydrophobicContact CE1-CG 4Å; Y217-Y243 WeakPolarHBondContact OH-CE1 3.21Å; H239-Y243 WeakPolarHBondContact O-CB 3.23Å; H239-Y243 PolarHBondContact O-N 2.68Å; M240-Y243 WeakPolarHBondContact O-CB 3.49Å; M240-Y243 PolarHBondContact O-N 3.47Å; F241-Y243 VanDerWaalsContact C-N 3.29Å; F241-Y243 PolarHBondContact O-N 3.32Å; Y243-L245 PolarHBondContact O-N 3.29Å; Y243-R246 PolarHBondContact O-N 2.79Å; Y243-G247 WeakPolarHBondContact O-CA 3.25Å; Y243-G247 PolarHBondContact O-N 2.77Å; Y243-L249 HydrophobicContact CD2-CG 4.36Å
244	F	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-40.8	178.3	-67.6	-40.9	0	0	0	113.1	L125 F129 F136 V141 P167 M240 F241	L125-F244 HydrophobicContact CB-CE1 4.43Å; L125-F244 HydrophobicContact CB-CZ 3.86Å; L125-F244 HydrophobicContact CD1-CE2 4.15Å; L125-F244 HydrophobicContact CD1-CZ 4.04Å; F129-F244 HydrophobicContact CB-CE1 4.4Å; F129-F244 AromaticContact CD2-CD1 3.75Å; F129-F244 HydrophobicContact CD2-CD1 3.75Å; F129-F244 HydrophobicContact CD2-CE1 4.41Å; F129-F244 HydrophobicContact CE2-CB 4.27Å; F129-F244 AromaticContact CE2-CD1 3.85Å; F129-F244 HydrophobicContact CE2-CD1 3.85Å; F129-F244 WeakPolarHBondContact CE2-O 3.22Å; F129-F244 HydrophobicContact CG-CD1 4.08Å; F129-F244 HydrophobicContact CG-CE1 4.35Å; F129-F244 HydrophobicContact CZ-CD1 4.26Å; F136-F244 HydrophobicContact CB-CB 4.38Å; F136-F244 HydrophobicContact CD2-CB 3.83Å; F136-F244 AromaticContact CD2-CD1 3.75Å; F136-F244 HydrophobicContact CD2-CD1 3.75Å; F136-F244 HydrophobicContact CD2-CD2 4.34Å; F136-F244 HydrophobicContact CD2-CE1 4.38Å; F136-F244 AromaticContact CD2-CG 3.74Å; F136-F244 HydrophobicContact CD2-CG 3.74Å; F136-F244 AromaticContact CE2-CD1 3.78Å; F136-F244 HydrophobicContact CE2-CD1 3.78Å; F136-F244 AromaticContact CE2-CE1 3.98Å; F136-F244 HydrophobicContact CE2-CE1 3.98Å; F136-F244 HydrophobicContact CE2-CG 4.16Å; F136-F244 HydrophobicContact CE2-CZ 4.48Å; F136-F244 PolarHBondContact N-O 2.93Å; V141-F244 HydrophobicContact CG2-CB 3.72Å; P167-F244 HydrophobicContact CB-CE1 3.87Å; P167-F244 HydrophobicContact CB-CZ 3.74Å; P167-F244 HydrophobicContact CG-CE1 3.74Å; P167-F244 HydrophobicContact CG-CZ 3.69Å; M240-F244 HydrophobicContact CE-CE2 4.07Å; M240-F244 HydrophobicContact CG-CD2 4.33Å; M240-F244 HydrophobicContact CG-CE2 3.71Å; M240-F244 HydrophobicContact CG-CZ 3.9Å; M240-F244 WeakPolarHBondContact O-CD2 3.26Å; M240-F244 WeakPolarHBondContact O-CG 3.43Å; M240-F244 PolarHBondContact O-N 2.81Å; M240-F244 HydrophobicContact SD-CE2 4.22Å; M240-F244 HydrophobicContact SD-CZ 4.23Å; F241-F244 PolarHBondContact O-N 3.44Å
245	L	98.8	Very high	97.9	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-38.1	179.6	-71.6	171.5	0	0	0	113	L138 V141 F241 M242 Y243 F282 M286	L138-L245 HydrophobicContact CB-CD2 4.5Å; L138-L245 HydrophobicContact CD1-CD2 4.16Å; V141-L245 HydrophobicContact CB-CD2 3.91Å; V141-L245 HydrophobicContact CB-CG 4.23Å; V141-L245 HydrophobicContact CG1-CD1 4.28Å; V141-L245 HydrophobicContact CG1-CD2 4.21Å; V141-L245 HydrophobicContact CG1-CG 4.01Å; V141-L245 HydrophobicContact CG2-CD2 3.69Å; V141-L245 HydrophobicContact CG2-CG 3.95Å; F241-L245 WeakPolarHBondContact O-CG 3.48Å; F241-L245 PolarHBondContact O-N 3.01Å; M242-L245 PolarHBondContact O-N 3.37Å; M242-L245 HydrophobicContact SD-CD1 4.18Å; Y243-L245 PolarHBondContact O-N 3.29Å; L245-F282 HydrophobicContact CB-CD1 3.86Å; L245-F282 HydrophobicContact CB-CE1 3.58Å; L245-F282 HydrophobicContact CB-CZ 4.09Å; L245-F282 HydrophobicContact CD1-CD1 4.07Å; L245-F282 HydrophobicContact CD1-CG 4.44Å; L245-F282 HydrophobicContact CD2-CD1 4.32Å; L245-F282 HydrophobicContact CD2-CE1 4.46Å; L245-F282 HydrophobicContact CG-CD1 4.31Å; L245-F282 HydrophobicContact CG-CE1 4.43Å; L245-M286 HydrophobicContact CD1-CE 3.72Å; L245-M286 HydrophobicContact CD1-CG 4.05Å; L245-M286 HydrophobicContact CD1-SD 3.83Å
246	R	98.5	Very high	97.7	Very high	89 Å²	89	30.4 Å²	30.4	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-92.4	-16.5	-173.4	-65.4	178.2	67.3	83.8	11	114.1	M242 Y243 S248 L278 F282	M242-R246 HydrophobicContact CE-CG 4Å; M242-R246 WeakPolarHBondContact O-CB 3.21Å; M242-R246 WeakPolarHBondContact O-CG 3.45Å; M242-R246 PolarHBondContact O-N 3.37Å; Y243-R246 PolarHBondContact O-N 2.79Å; R246-S248 WeakPolarHBondContact CB-O 3.46Å; R246-S248 PolarHBondContact O-N 2.91Å; R246-L278 WeakPolarHBondContact CD-O 3.14Å; R246-L278 PolarHBondContact NH1-O 2.98Å; R246-F282 HydrophobicContact CG-CD2 4.39Å; R246-F282 HydrophobicContact CG-CE2 3.48Å; R246-F282 VanDerWaalsContact CG-CE2 3.48Å; R246-F282 HydrophobicContact CG-CZ 3.7Å
247	G	98.4	Very high	97.5	Very high	13 Å²	13	37.8 Å²	37.8	13%	0.134	22%	0.215	C	C	.	.	S	Bend	trans	78	-25.9	-168	0	0	0	0	0	114.8	R134 Y243	R134-G247 WeakPolarHBondContact O-CA 3.49Å; Y243-G247 WeakPolarHBondContact O-CA 3.25Å; Y243-G247 PolarHBondContact O-N 2.77Å
248	S	98.1	Very high	97.3	Very high	61 Å²	61	41 Å²	41	43%	0.427	23%	0.234	S	C	.	.	S	Bend	trans	-157.5	159.3	175.5	63	0	0	0	0	112.4	R246 Q252	R246-S248 WeakPolarHBondContact CB-O 3.46Å; R246-S248 PolarHBondContact O-N 2.91Å; S248-Q252 VanDerWaalsContact CA-OE1 3.22Å
249	L	98.6	Very high	96.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	25%	0.253	C	S	.	.			trans	-101.3	147.7	174.8	-67.2	166.8	0	0	0	110.8	R216 Y217 M242 Y243 W251 Q252 L278	R216-L249 HydrophobicContact CG-CD1 4.01Å; Y217-L249 HydrophobicContact CD1-CD1 4.4Å; Y217-L249 HydrophobicContact CE1-CD1 4.44Å; M242-L249 HydrophobicContact CB-CD2 4.09Å; Y243-L249 HydrophobicContact CD2-CG 4.36Å; L249-W251 HydrophobicContact CB-CD2 4.14Å; L249-W251 HydrophobicContact CB-CG 4.5Å; L249-W251 HydrophobicContact CB-CZ2 3.98Å; L249-W251 HydrophobicContact CD1-CZ2 3.7Å; L249-W251 HydrophobicContact CD2-CH2 4.12Å; L249-W251 HydrophobicContact CD2-CZ2 3.82Å; L249-W251 HydrophobicContact CG-CZ2 4.04Å; L249-W251 PolarHBondContact O-N 3.43Å; L249-Q252 HydrophobicContact CB-CG 4.27Å; L249-Q252 WeakPolarHBondContact O-CB 3.32Å; L249-Q252 PolarHBondContact O-N 2.78Å; L249-L278 HydrophobicContact CD2-CD1 4.07Å
250	P	98.3	Very high	96.4	Very high	58 Å²	58	52.9 Å²	52.9	38%	0.377	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.2	-176.3	-26.1	35.4	0	0	0	115.5	T273 L278	P250-T273 HydrophobicContact CG-CG2 4.36Å; P250-L278 HydrophobicContact CG-CD1 4.01Å
251	W	98.4	Very high	96.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.015	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	13.7	178.6	51.2	81.4	0	0	0	113.6	R216 H239 L249 L254 I266 T269 K270 L278	R216-W251 PolarHBondContact O-NE1 3.45Å; H239-W251 HydrophobicContact CB-CZ2 4.37Å; H239-W251 AromaticContact CD2-CH2 3.67Å; H239-W251 AromaticContact CD2-CZ2 3.71Å; L249-W251 HydrophobicContact CB-CD2 4.14Å; L249-W251 HydrophobicContact CB-CG 4.5Å; L249-W251 HydrophobicContact CB-CZ2 3.98Å; L249-W251 HydrophobicContact CD1-CZ2 3.7Å; L249-W251 HydrophobicContact CD2-CH2 4.12Å; L249-W251 HydrophobicContact CD2-CZ2 3.82Å; L249-W251 HydrophobicContact CG-CZ2 4.04Å; L249-W251 PolarHBondContact O-N 3.43Å; W251-L254 HydrophobicContact CB-CD1 4.1Å; W251-I266 HydrophobicContact CB-CG2 4.16Å; W251-I266 HydrophobicContact CG-CG2 4.09Å; W251-T269 HydrophobicContact CB-CG2 3.81Å; W251-K270 HydrophobicContact CD2-CD 4.39Å; W251-K270 HydrophobicContact CD2-CG 3.52Å; W251-K270 HydrophobicContact CE3-CB 4.44Å; W251-K270 HydrophobicContact CE3-CG 3.63Å; W251-K270 HydrophobicContact CG-CG 4.05Å; W251-K270 HydrophobicContact CH2-CG 4.05Å; W251-K270 HydrophobicContact CZ2-CD 4.34Å; W251-K270 HydrophobicContact CZ2-CG 3.96Å; W251-K270 HydrophobicContact CZ3-CG 3.89Å; W251-L278 HydrophobicContact CH2-CD1 4.11Å; W251-L278 HydrophobicContact CH2-CD2 3.86Å; W251-L278 HydrophobicContact CZ3-CD1 4.18Å; W251-L278 HydrophobicContact CZ3-CD2 4.33Å
252	Q	96.3	Very high	96	Very high	55 Å²	55	61 Å²	61	26%	0.257	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	150.8	171	-74.7	-178.1	-115.9	0	0	111.8	R216 S248 L249 L254	R216-Q252 HydrophobicContact CG-CG 4.18Å; S248-Q252 VanDerWaalsContact CA-OE1 3.22Å; L249-Q252 HydrophobicContact CB-CG 4.27Å; L249-Q252 WeakPolarHBondContact O-CB 3.32Å; L249-Q252 PolarHBondContact O-N 2.78Å; Q252-L254 PolarHBondContact O-N 3.31Å
253	G	93.1	Very high	95.7	Very high	65 Å²	65	62 Å²	62	67%	0.67	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	2.8	174.8	0	0	0	0	0	115.9	K255	G253-K255 PolarHBondContact O-N 3.47Å
254	L	94.1	Very high	95.5	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.251	35%	0.348	S	S	.	.			trans	-61.7	126.3	177.3	-59.6	-180	0	0	0	111.2	W251 Q252 K265 I266 T269	W251-L254 HydrophobicContact CB-CD1 4.1Å; Q252-L254 PolarHBondContact O-N 3.31Å; L254-K265 HydrophobicContact CD1-CB 4.27Å; L254-I266 HydrophobicContact CD1-CG1 4.09Å; L254-T269 WeakPolarHBondContact CD1-OG1 3.45Å
255	K	93.7	Very high	95.4	Very high	187 Å²	187	71 Å²	71	81%	0.813	37%	0.368	S	S	*	.			trans	-92.6	141.1	178.6	-61.5	-176.7	-178.7	179.5	0	111	G253 K265	G253-K255 PolarHBondContact O-N 3.47Å; K255-K265 PolarHBondContact O-NZ 2.93Å
256	A	94.6	Very high	95.4	Very high	30 Å²	30	70.8 Å²	70.8	25%	0.248	37%	0.366	C	S	.	.			trans	-154.8	161.1	172.3	0	0	0	0	0	109.4	E261 R262 K265	A256-E261 HydrophobicContact CB-CB 3.74Å; A256-R262 HydrophobicContact CB-CB 3.91Å; A256-K265 HydrophobicContact CB-CD 4.22Å
257	D	95	Very high	95.4	Very high	160 Å²	160	66.6 Å²	66.6	86%	0.856	35%	0.351	S	S	*	.	S	Bend	trans	-81.2	-31.8	-175.2	-60.9	-30.5	0	0	0	111.1	E261	D257-E261 PolarHBondContact N-OE2 3.13Å
258	T	94.4	Very high	95.4	Very high	66 Å²	66	68.2 Å²	68.2	41%	0.405	36%	0.357	S	S	.	.	S	Bend	trans	-118.3	156.3	175.9	71.5	0	0	0	0	112.6	K260 E261 R262	T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 3.21Å; T258-E261 PolarHBondContact N-OE2 3.19Å; T258-E261 PolarHBondContact O-N 2.77Å; T258-E261 WeakPolarHBondContact OG1-CB 3.22Å; T258-E261 VanDerWaalsContact OG1-CD 3.26Å; T258-E261 VanDerWaalsContact OG1-CG 3.24Å; T258-E261 WeakPolarHBondContact OG1-CG 3.21Å; T258-E261 PolarHBondContact OG1-N 3.4Å; T258-E261 PolarHBondContact OG1-OE1 2.61Å; T258-R262 PolarHBondContact O-N 3.04Å
259	L	89	Confident	95.4	Very high	77 Å²	77	67.2 Å²	67.2	40%	0.403	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-40	174.9	-169.6	66.1	0	0	0	111.3	R262 Y263	L259-R262 WeakPolarHBondContact O-CB 3.49Å; L259-R262 PolarHBondContact O-N 3Å; L259-Y263 HydrophobicContact CD1-CD2 4.06Å; L259-Y263 HydrophobicContact CD1-CE2 3.6Å; L259-Y263 HydrophobicContact CD2-CE2 4.4Å; L259-Y263 HydrophobicContact CG-CD2 4.04Å; L259-Y263 HydrophobicContact CG-CE2 3.79Å; L259-Y263 WeakPolarHBondContact O-CD2 3.5Å; L259-Y263 PolarHBondContact O-N 3.44Å
260	K	90.2	Very high	95.4	Very high	175 Å²	175	67 Å²	67	76%	0.761	35%	0.347	S	S	*	.	H	α-helix	trans	-60	-48.1	177.5	-176	179.3	177.7	-177.8	0	111.4	T258 R262 Y263 Q264	T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 3.21Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.36Å; K260-Y263 PolarHBondContact O-N 3.2Å; K260-Q264 PolarHBondContact O-N 2.91Å
261	E	94.6	Very high	95.4	Very high	83 Å²	83	69.9 Å²	69.9	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-38.2	175.2	-74.8	163.3	-156.2	0	0	112.3	A256 D257 T258 Y263 Q264 K265	A256-E261 HydrophobicContact CB-CB 3.74Å; D257-E261 PolarHBondContact N-OE2 3.13Å; T258-E261 PolarHBondContact N-OE2 3.19Å; T258-E261 PolarHBondContact O-N 2.77Å; T258-E261 WeakPolarHBondContact OG1-CB 3.22Å; T258-E261 VanDerWaalsContact OG1-CD 3.26Å; T258-E261 VanDerWaalsContact OG1-CG 3.24Å; T258-E261 WeakPolarHBondContact OG1-CG 3.21Å; T258-E261 PolarHBondContact OG1-N 3.4Å; T258-E261 PolarHBondContact OG1-OE1 2.61Å; E261-Y263 VanDerWaalsContact C-N 3.33Å; E261-Y263 PolarHBondContact O-N 3.43Å; E261-Q264 PolarHBondContact O-N 3Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 2.67Å
262	R	94.5	Very high	95.4	Very high	88 Å²	88	75.9 Å²	75.9	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-45.6	176.7	-168.7	178	180	-162.4	-3.1	111.1	A256 T258 L259 K260 K265 I266	A256-R262 HydrophobicContact CB-CB 3.91Å; T258-R262 PolarHBondContact O-N 3.04Å; L259-R262 WeakPolarHBondContact O-CB 3.49Å; L259-R262 PolarHBondContact O-N 3Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.36Å; R262-K265 PolarHBondContact O-N 2.89Å; R262-I266 HydrophobicContact CG-CD1 4.21Å; R262-I266 VanDerWaalsContact O-CG1 3.28Å; R262-I266 WeakPolarHBondContact O-CG1 3.41Å; R262-I266 PolarHBondContact O-N 3.07Å
263	Y	93.4	Very high	95.5	Very high	24 Å²	24	74.3 Å²	74.3	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-63.7	-45	176.9	-84.5	-122.6	0	0	0	110.6	L211 A215 M218 H223 L259 K260 E261 K265 I266 G267	L211-Y263 HydrophobicContact CB-CD1 3.96Å; L211-Y263 HydrophobicContact CB-CE1 4.09Å; L211-Y263 HydrophobicContact CD1-CD1 3.79Å; L211-Y263 HydrophobicContact CD1-CG 4.23Å; L211-Y263 HydrophobicContact CD2-CD1 4.19Å; L211-Y263 HydrophobicContact CG-CD1 4.18Å; A215-Y263 HydrophobicContact CB-CD1 3.95Å; A215-Y263 HydrophobicContact CB-CD2 4.24Å; A215-Y263 HydrophobicContact CB-CE1 3.67Å; A215-Y263 HydrophobicContact CB-CE2 3.95Å; A215-Y263 HydrophobicContact CB-CG 4.26Å; M218-Y263 HydrophobicContact CE-CE1 4.02Å; M218-Y263 HydrophobicContact SD-CD1 4.49Å; H223-Y263 PolarHBondContact CE1-O 3.03Å; H223-Y263 VanDerWaalsContact CE1-O 3.26Å; H223-Y263 PolarHBondContact ND1-O 3.27Å; H223-Y263 VanDerWaalsContact ND1-O 3.17Å; L259-Y263 HydrophobicContact CD1-CD2 4.06Å; L259-Y263 HydrophobicContact CD1-CE2 3.6Å; L259-Y263 HydrophobicContact CD2-CE2 4.4Å; L259-Y263 HydrophobicContact CG-CD2 4.04Å; L259-Y263 HydrophobicContact CG-CE2 3.79Å; L259-Y263 WeakPolarHBondContact O-CD2 3.5Å; L259-Y263 PolarHBondContact O-N 3.44Å; K260-Y263 PolarHBondContact O-N 3.2Å; E261-Y263 VanDerWaalsContact C-N 3.33Å; E261-Y263 PolarHBondContact O-N 3.43Å; Y263-K265 PolarHBondContact O-N 2.81Å; Y263-I266 PolarHBondContact O-N 2.74Å; Y263-G267 PolarHBondContact O-N 3.05Å
264	Q	94.7	Very high	95.8	Very high	95 Å²	95	74.6 Å²	74.6	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-56.6	-49.3	175.8	-172	62.2	54.6	0	0	111.8	K260 E261 I266 G267 D268	K260-Q264 PolarHBondContact O-N 2.91Å; E261-Q264 PolarHBondContact O-N 3Å; Q264-I266 VanDerWaalsContact C-N 3.34Å; Q264-I266 PolarHBondContact O-N 2.96Å; Q264-G267 PolarHBondContact O-N 3.18Å; Q264-D268 PolarHBondContact NE2-OD1 3.48Å; Q264-D268 PolarHBondContact NE2-OD2 2.92Å; Q264-D268 WeakPolarHBondContact O-CB 2.9Å; Q264-D268 PolarHBondContact O-N 3.25Å
265	K	97.8	Very high	96	Very high	94 Å²	94	73.2 Å²	73.2	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-43.4	177.4	-73.2	-174.1	-171.9	-177.3	0	112.1	L254 K255 A256 E261 R262 Y263 D268 T269	L254-K265 HydrophobicContact CD1-CB 4.27Å; K255-K265 PolarHBondContact O-NZ 2.93Å; A256-K265 HydrophobicContact CB-CD 4.22Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 2.67Å; R262-K265 PolarHBondContact O-N 2.89Å; Y263-K265 PolarHBondContact O-N 2.81Å; K265-D268 PolarHBondContact O-N 3.33Å; K265-T269 WeakPolarHBondContact O-CB 3.3Å; K265-T269 PolarHBondContact O-N 2.72Å; K265-T269 PolarHBondContact O-OG1 3.47Å
266	I	98.2	Very high	96.2	Very high	11 Å²	11	69.5 Å²	69.5	6%	0.056	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-47.3	176.3	-68.7	165.9	0	0	0	110.5	A215 W251 L254 R262 Y263 Q264 D268 T269 K270	A215-I266 HydrophobicContact CB-CD1 3.97Å; W251-I266 HydrophobicContact CB-CG2 4.16Å; W251-I266 HydrophobicContact CG-CG2 4.09Å; L254-I266 HydrophobicContact CD1-CG1 4.09Å; R262-I266 HydrophobicContact CG-CD1 4.21Å; R262-I266 VanDerWaalsContact O-CG1 3.28Å; R262-I266 WeakPolarHBondContact O-CG1 3.41Å; R262-I266 PolarHBondContact O-N 3.07Å; Y263-I266 PolarHBondContact O-N 2.74Å; Q264-I266 VanDerWaalsContact C-N 3.34Å; Q264-I266 PolarHBondContact O-N 2.96Å; I266-D268 VanDerWaalsContact C-N 3.35Å; I266-D268 PolarHBondContact O-N 3.45Å; I266-T269 PolarHBondContact O-N 2.78Å; I266-K270 HydrophobicContact CG2-CD 4.33Å; I266-K270 WeakPolarHBondContact O-CG 3.46Å; I266-K270 PolarHBondContact O-N 3.34Å
267	G	97.9	Very high	96.4	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-41.9	177.6	0	0	0	0	0	112.7	H223 Y263 Q264 K270 R271	H223-G267 VanDerWaalsContact CG-CA 3.48Å; Y263-G267 PolarHBondContact O-N 3.05Å; Q264-G267 PolarHBondContact O-N 3.18Å; G267-K270 PolarHBondContact O-N 3.22Å; G267-R271 WeakPolarHBondContact O-CG 3.39Å; G267-R271 PolarHBondContact O-N 3.25Å; G267-R271 VanDerWaalsContact O-N 3.07Å
268	D	98.2	Very high	96.6	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-46.7	176.4	-65.4	-17.8	0	0	0	111.3	Q264 K265 I266 K270 R271 N272	Q264-D268 PolarHBondContact NE2-OD1 3.48Å; Q264-D268 PolarHBondContact NE2-OD2 2.92Å; Q264-D268 WeakPolarHBondContact O-CB 2.9Å; Q264-D268 PolarHBondContact O-N 3.25Å; K265-D268 PolarHBondContact O-N 3.33Å; I266-D268 VanDerWaalsContact C-N 3.35Å; I266-D268 PolarHBondContact O-N 3.45Å; D268-K270 VanDerWaalsContact C-N 3.34Å; D268-K270 PolarHBondContact O-N 3.35Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 IonicContact OD1-CZ 3.83Å; D268-R271 IonicContact OD1-NE 2.92Å; D268-R271 IonicContact OD1-NH2 2.66Å; D268-R271 PolarHBondContact OD1-NH2 3.35Å; D268-N272 WeakPolarHBondContact O-CB 3.26Å; D268-N272 PolarHBondContact O-N 2.69Å; D268-N272 PolarHBondContact O-ND2 3.11Å
269	T	98.6	Very high	96.8	Very high	39 Å²	39	60 Å²	60	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-41.2	175.7	-57.7	0	0	0	0	111.7	W251 L254 K265 I266 R271 N272 T273	W251-T269 HydrophobicContact CB-CG2 3.81Å; L254-T269 WeakPolarHBondContact CD1-OG1 3.45Å; K265-T269 WeakPolarHBondContact O-CB 3.3Å; K265-T269 PolarHBondContact O-N 2.72Å; K265-T269 PolarHBondContact O-OG1 3.47Å; I266-T269 PolarHBondContact O-N 2.78Å; T269-R271 PolarHBondContact O-N 2.9Å; T269-N272 PolarHBondContact O-N 3.33Å; T269-T273 WeakPolarHBondContact O-CB 3.39Å; T269-T273 PolarHBondContact O-N 2.85Å; T269-T273 PolarHBondContact O-OG1 3.28Å
270	K	98.6	Very high	97.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-42.8	175.7	-77.9	179.4	176	-174.7	0	112.8	A215 R216 M218 I220 W251 I266 G267 D268	A215-K270 PolarHBondContact O-NZ 3.42Å; R216-K270 WeakPolarHBondContact O-CE 2.99Å; R216-K270 PolarHBondContact O-NZ 2.76Å; M218-K270 PolarHBondContact O-NZ 3.29Å; I220-K270 HydrophobicContact CD1-CB 4.48Å; I220-K270 HydrophobicContact CG1-CB 3.99Å; W251-K270 HydrophobicContact CD2-CD 4.39Å; W251-K270 HydrophobicContact CD2-CG 3.52Å; W251-K270 HydrophobicContact CE3-CB 4.44Å; W251-K270 HydrophobicContact CE3-CG 3.63Å; W251-K270 HydrophobicContact CG-CG 4.05Å; W251-K270 HydrophobicContact CH2-CG 4.05Å; W251-K270 HydrophobicContact CZ2-CD 4.34Å; W251-K270 HydrophobicContact CZ2-CG 3.96Å; W251-K270 HydrophobicContact CZ3-CG 3.89Å; I266-K270 HydrophobicContact CG2-CD 4.33Å; I266-K270 WeakPolarHBondContact O-CG 3.46Å; I266-K270 PolarHBondContact O-N 3.34Å; G267-K270 PolarHBondContact O-N 3.22Å; D268-K270 VanDerWaalsContact C-N 3.34Å; D268-K270 PolarHBondContact O-N 3.35Å
271	R	98	Very high	97.5	Very high	119 Å²	119	60.9 Å²	60.9	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-40.4	177.2	-72	-171.8	-63.2	153	-3	112.1	I220 G267 D268 T269 T273	I220-R271 HydrophobicContact CD1-CG 4.22Å; I220-R271 HydrophobicContact CG1-CG 4.26Å; I220-R271 HydrophobicContact CG2-CG 3.52Å; G267-R271 WeakPolarHBondContact O-CG 3.39Å; G267-R271 PolarHBondContact O-N 3.25Å; G267-R271 VanDerWaalsContact O-N 3.07Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 IonicContact OD1-CZ 3.83Å; D268-R271 IonicContact OD1-NE 2.92Å; D268-R271 IonicContact OD1-NH2 2.66Å; D268-R271 PolarHBondContact OD1-NH2 3.35Å; T269-R271 PolarHBondContact O-N 2.9Å; R271-T273 VanDerWaalsContact C-N 3.34Å
272	N	98.4	Very high	97.7	Very high	129 Å²	129	59.9 Å²	59.9	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-83.6	-8.9	-175.7	-65.4	-16.2	0	0	0	113.6	D268 T269 P274	D268-N272 WeakPolarHBondContact O-CB 3.26Å; D268-N272 PolarHBondContact O-N 2.69Å; D268-N272 PolarHBondContact O-ND2 3.11Å; T269-N272 PolarHBondContact O-N 3.33Å; N272-P274 VanDerWaalsContact O-CD 3.28Å; N272-P274 WeakPolarHBondContact O-CD 3.42Å
273	T	98.6	Very high	97.9	Very high	22 Å²	22	56.9 Å²	56.9	14%	0.135	29%	0.29	C	S	.	.	S	Bend	trans	-90.3	109.6	173.8	-55.3	0	0	0	0	108.8	P250 T269 R271 L278	P250-T273 HydrophobicContact CG-CG2 4.36Å; T269-T273 WeakPolarHBondContact O-CB 3.39Å; T269-T273 PolarHBondContact O-N 2.85Å; T269-T273 PolarHBondContact O-OG1 3.28Å; R271-T273 VanDerWaalsContact C-N 3.34Å; T273-L278 HydrophobicContact CG2-CB 4.13Å
274	P	98.5	Very high	98.1	Very high	72 Å²	72	60.7 Å²	60.7	47%	0.468	31%	0.309	S	S	.	.			trans	-57.3	148.5	173.3	-22.6	34.8	0	0	0	110.9	N272 E276 A277 L278	N272-P274 VanDerWaalsContact O-CD 3.28Å; N272-P274 WeakPolarHBondContact O-CD 3.42Å; P274-E276 PolarHBondContact O-N 2.9Å; P274-A277 HydrophobicContact CB-CB 4.21Å; P274-A277 HydrophobicContact CG-CB 4.37Å; P274-A277 PolarHBondContact O-N 3.22Å; P274-L278 PolarHBondContact O-N 3.08Å
275	I	98.8	Very high	98.3	Very high	18 Å²	18	57.8 Å²	57.8	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-38.9	179.7	-66.4	168.4	0	0	0	109.6	A277 L278 C279 A287 L290 R291 R294	I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.16Å; I275-L278 PolarHBondContact O-N 3.06Å; I275-L278 VanDerWaalsContact O-N 3.16Å; I275-C279 WeakPolarHBondContact O-CB 3.24Å; I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.74Å; I275-A287 HydrophobicContact CG2-CB 3.82Å; I275-L290 HydrophobicContact CD1-CB 4.26Å; I275-L290 HydrophobicContact CG1-CB 4.41Å; I275-L290 HydrophobicContact CG2-CB 3.85Å; I275-L290 HydrophobicContact CG2-CD1 4.26Å; I275-R291 HydrophobicContact CD1-CB 4.36Å; I275-R291 HydrophobicContact CD1-CG 3.57Å; I275-R291 HydrophobicContact CG2-CG 4.32Å; I275-R294 VanDerWaalsContact CG1-NH1 3.33Å
276	E	98.3	Very high	98.4	Very high	109 Å²	109	53.5 Å²	53.5	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-39.8	178.5	-61.2	70.2	-153.7	0	0	111	P274 E280	P274-E276 PolarHBondContact O-N 2.9Å; E276-E280 WeakPolarHBondContact O-CA 3.41Å; E276-E280 PolarHBondContact O-N 3Å
277	A	98.5	Very high	98.4	Very high	47 Å²	47	53 Å²	53	39%	0.388	27%	0.274	S	S	.	.	H	α-helix	trans	-71.8	-37.8	175.5	0	0	0	0	0	112.2	P274 I275 C279	P274-A277 HydrophobicContact CB-CB 4.21Å; P274-A277 HydrophobicContact CG-CB 4.37Å; P274-A277 PolarHBondContact O-N 3.22Å; I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.16Å; A277-C279 VanDerWaalsContact C-N 3.34Å
278	L	98.6	Very high	98.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-41.4	175.7	179.8	62.3	0	0	0	111.2	M242 R246 L249 P250 W251 T273 P274 I275 L290	M242-L278 HydrophobicContact CB-CG 4.44Å; M242-L278 VanDerWaalsContact CE-O 3.25Å; M242-L278 WeakPolarHBondContact CE-O 3.28Å; M242-L278 HydrophobicContact CG-CD2 4.3Å; M242-L278 HydrophobicContact CG-CG 4.25Å; R246-L278 WeakPolarHBondContact CD-O 3.14Å; R246-L278 PolarHBondContact NH1-O 2.98Å; L249-L278 HydrophobicContact CD2-CD1 4.07Å; P250-L278 HydrophobicContact CG-CD1 4.01Å; W251-L278 HydrophobicContact CH2-CD1 4.11Å; W251-L278 HydrophobicContact CH2-CD2 3.86Å; W251-L278 HydrophobicContact CZ3-CD1 4.18Å; W251-L278 HydrophobicContact CZ3-CD2 4.33Å; T273-L278 HydrophobicContact CG2-CB 4.13Å; P274-L278 PolarHBondContact O-N 3.08Å; I275-L278 PolarHBondContact O-N 3.06Å; I275-L278 VanDerWaalsContact O-N 3.16Å; L278-L290 HydrophobicContact CD2-CD1 3.81Å
279	C	98.6	Very high	98.5	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.054	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.4	-176.3	-63.2	0	0	0	0	114	M242 I275 A277 N281 F282 M286 A287	M242-C279 HydrophobicContact CE-CB 4.37Å; M242-C279 VanDerWaalsContact SD-SG 3.64Å; I275-C279 WeakPolarHBondContact O-CB 3.24Å; I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.74Å; A277-C279 VanDerWaalsContact C-N 3.34Å; C279-N281 PolarHBondContact O-N 3.16Å; C279-F282 WeakPolarHBondContact O-CB 3.1Å; C279-F282 PolarHBondContact O-N 3.49Å; C279-M286 HydrophobicContact CB-CB 4.48Å; C279-A287 HydrophobicContact CB-CB 3.94Å
280	E	97.9	Very high	98.5	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	135.6	179.2	-168.9	-175.4	-147.6	0	0	111.4	E276 F282	E276-E280 WeakPolarHBondContact O-CA 3.41Å; E276-E280 PolarHBondContact O-N 3Å; E280-F282 WeakPolarHBondContact O-CD2 3.5Å; E280-F282 WeakPolarHBondContact O-CE2 3.38Å; E280-F282 PolarHBondContact O-N 3.2Å
281	N	97.3	Very high	98.5	Very high	150 Å²	150	53.5 Å²	53.5	80%	0.802	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	7.1	-175.4	-52.9	-56.4	0	0	0	115.9	C279	C279-N281 PolarHBondContact O-N 3.16Å
282	F	98.4	Very high	98.6	Very high	62 Å²	62	50.5 Å²	50.5	27%	0.272	26%	0.26	S	S	.	.	S	Bend	trans	-110.4	164	170.7	-59.2	-79	0	0	0	110.7	M242 L245 R246 C279 E280	M242-F282 HydrophobicContact CE-CD2 3.69Å; M242-F282 HydrophobicContact CE-CE2 4.18Å; M242-F282 HydrophobicContact CE-CG 4.16Å; L245-F282 HydrophobicContact CB-CD1 3.86Å; L245-F282 HydrophobicContact CB-CE1 3.58Å; L245-F282 HydrophobicContact CB-CZ 4.09Å; L245-F282 HydrophobicContact CD1-CD1 4.07Å; L245-F282 HydrophobicContact CD1-CG 4.44Å; L245-F282 HydrophobicContact CD2-CD1 4.32Å; L245-F282 HydrophobicContact CD2-CE1 4.46Å; L245-F282 HydrophobicContact CG-CD1 4.31Å; L245-F282 HydrophobicContact CG-CE1 4.43Å; R246-F282 HydrophobicContact CG-CD2 4.39Å; R246-F282 HydrophobicContact CG-CE2 3.48Å; R246-F282 VanDerWaalsContact CG-CE2 3.48Å; R246-F282 HydrophobicContact CG-CZ 3.7Å; C279-F282 WeakPolarHBondContact O-CB 3.1Å; C279-F282 PolarHBondContact O-N 3.49Å; E280-F282 WeakPolarHBondContact O-CD2 3.5Å; E280-F282 WeakPolarHBondContact O-CE2 3.38Å; E280-F282 PolarHBondContact O-N 3.2Å
283	P	98.5	Very high	98.6	Very high	24 Å²	24	44.4 Å²	44.4	16%	0.156	23%	0.227	C	C	.	.			trans	-58	142.9	178.8	-24	34.5	0	0	0	113	L138 E285 M286 L314	L138-P283 HydrophobicContact CD1-CG 3.99Å; L138-P283 HydrophobicContact CD2-CG 3.58Å; L138-P283 HydrophobicContact CG-CG 4.45Å; P283-E285 WeakPolarHBondContact CB-OE2 3.35Å; P283-E285 PolarHBondContact O-N 3.47Å; P283-E285 VanDerWaalsContact O-N 3.09Å; P283-M286 WeakPolarHBondContact O-CB 3.27Å; P283-M286 PolarHBondContact O-N 3.15Å; P283-L314 HydrophobicContact CB-CD1 3.98Å; P283-L314 HydrophobicContact CB-CD2 3.54Å; P283-L314 HydrophobicContact CB-CG 4.43Å; P283-L314 HydrophobicContact CG-CD1 4.31Å; P283-L314 HydrophobicContact CG-CD2 3.88Å
284	E	98.4	Very high	98.6	Very high	104 Å²	104	46 Å²	46	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-23.1	-176.9	179.1	53.1	-148.1	0	0	113	M286 A287 T288 R291	E284-M286 PolarHBondContact O-N 2.92Å; E284-A287 PolarHBondContact O-N 3.09Å; E284-A287 VanDerWaalsContact O-N 3.13Å; E284-T288 WeakPolarHBondContact O-CB 3.37Å; E284-T288 PolarHBondContact O-N 3.41Å; E284-T288 PolarHBondContact O-OG1 2.68Å; E284-R291 IonicContact OE1-CZ 3.68Å; E284-R291 IonicContact OE1-NE 3.97Å; E284-R291 IonicContact OE1-NH2 2.66Å; E284-R291 PolarHBondContact OE1-NH2 3.09Å
285	E	98.8	Very high	98.6	Very high	34 Å²	34	51.7 Å²	51.7	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-31.3	174.7	-64.8	85.1	175.2	0	0	111.9	P283 T288 Y289 L310 L314	P283-E285 WeakPolarHBondContact CB-OE2 3.35Å; P283-E285 PolarHBondContact O-N 3.47Å; P283-E285 VanDerWaalsContact O-N 3.09Å; E285-T288 PolarHBondContact O-N 2.83Å; E285-Y289 WeakPolarHBondContact O-CB 3.39Å; E285-Y289 PolarHBondContact O-N 3.18Å; E285-L310 HydrophobicContact CB-CD1 3.82Å; E285-L310 HydrophobicContact CB-CD2 4.45Å; E285-L310 HydrophobicContact CB-CG 3.87Å; E285-L310 HydrophobicContact CG-CD1 3.61Å; E285-L310 HydrophobicContact CG-CG 4.14Å; E285-L310 WeakPolarHBondContact O-CD2 3.42Å; E285-L314 HydrophobicContact CB-CD2 3.9Å; E285-L314 HydrophobicContact CG-CB 4.03Å; E285-L314 HydrophobicContact CG-CD2 4.12Å; E285-L314 HydrophobicContact CG-CG 4.5Å
286	M	98.8	Very high	98.6	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-43	174.1	-64.3	-67.4	164.4	0	0	112	L138 V141 L142 M242 L245 C279 P283 E284 L290 F311	L138-M286 HydrophobicContact CD1-CE 3.91Å; V141-M286 HydrophobicContact CG1-CE 4.4Å; L142-M286 HydrophobicContact CD2-CE 3.81Å; M242-M286 HydrophobicContact SD-CB 3.79Å; M242-M286 HydrophobicContact SD-CG 4.11Å; M242-M286 HydrophobicContact SD-SD 4.39Å; L245-M286 HydrophobicContact CD1-CE 3.72Å; L245-M286 HydrophobicContact CD1-CG 4.05Å; L245-M286 HydrophobicContact CD1-SD 3.83Å; C279-M286 HydrophobicContact CB-CB 4.48Å; P283-M286 WeakPolarHBondContact O-CB 3.27Å; P283-M286 PolarHBondContact O-N 3.15Å; E284-M286 PolarHBondContact O-N 2.92Å; M286-L290 PolarHBondContact O-N 2.92Å; M286-F311 HydrophobicContact CE-CD1 4.42Å; M286-F311 HydrophobicContact CE-CE1 3.97Å; M286-F311 HydrophobicContact SD-CE1 3.9Å; M286-F311 HydrophobicContact SD-CZ 4.26Å
287	A	98.8	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-41.2	175.9	0	0	0	0	0	110.9	I275 C279 E284 Y289 L290 R291	I275-A287 HydrophobicContact CG2-CB 3.82Å; C279-A287 HydrophobicContact CB-CB 3.94Å; E284-A287 PolarHBondContact O-N 3.09Å; E284-A287 VanDerWaalsContact O-N 3.13Å; A287-Y289 PolarHBondContact O-N 2.86Å; A287-L290 PolarHBondContact O-N 3.12Å; A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 WeakPolarHBondContact O-CG 3.32Å; A287-R291 PolarHBondContact O-N 2.81Å
288	T	98.9	Very high	98.6	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-45.5	176.8	-59.6	0	0	0	0	111.3	E284 E285 L290 R291 Y292 Y306 L310	E284-T288 WeakPolarHBondContact O-CB 3.37Å; E284-T288 PolarHBondContact O-N 3.41Å; E284-T288 PolarHBondContact O-OG1 2.68Å; E285-T288 PolarHBondContact O-N 2.83Å; T288-L290 PolarHBondContact O-N 3.37Å; T288-R291 PolarHBondContact O-N 3.48Å; T288-R291 PolarHBondContact OG1-NH2 2.88Å; T288-Y292 WeakPolarHBondContact O-CB 3.3Å; T288-Y292 PolarHBondContact O-N 3.03Å; T288-Y306 WeakPolarHBondContact CG2-OH 3.42Å; T288-L310 HydrophobicContact CG2-CD1 4.17Å; T288-L310 HydrophobicContact CG2-CD2 4Å
289	Y	98.9	Very high	98.6	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-54.5	-54.2	173.4	178.8	-83.5	0	0	0	111.6	L149 L234 G238 F241 E285 A287 R291 Y292 V293 L307 F311	L149-Y289 HydrophobicContact CD1-CE2 4.39Å; L149-Y289 HydrophobicContact CD2-CE2 3.93Å; L234-Y289 WeakPolarHBondContact O-CE1 3.41Å; L234-Y289 PolarHBondContact O-OH 3.07Å; G238-Y289 VanDerWaalsContact CA-CE1 3.48Å; F241-Y289 HydrophobicContact CE2-CE1 4.43Å; F241-Y289 HydrophobicContact CE2-CE2 4.36Å; E285-Y289 WeakPolarHBondContact O-CB 3.39Å; E285-Y289 PolarHBondContact O-N 3.18Å; A287-Y289 PolarHBondContact O-N 2.86Å; Y289-R291 VanDerWaalsContact C-N 3.34Å; Y289-R291 PolarHBondContact O-N 3.21Å; Y289-Y292 WeakPolarHBondContact O-CB 3.38Å; Y289-Y292 PolarHBondContact O-N 3.36Å; Y289-V293 HydrophobicContact CD1-CG1 4.39Å; Y289-V293 HydrophobicContact CD1-CG2 4.4Å; Y289-V293 HydrophobicContact CE1-CG1 3.95Å; Y289-V293 HydrophobicContact CE1-CG2 4.17Å; Y289-V293 HydrophobicContact CE2-CG1 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.48Å; Y289-V293 PolarHBondContact O-N 3.42Å; Y289-L307 HydrophobicContact CD2-CB 4.39Å; Y289-L307 HydrophobicContact CD2-CD2 3.66Å; Y289-L307 HydrophobicContact CD2-CG 4.42Å; Y289-L307 HydrophobicContact CE2-CB 4.19Å; Y289-L307 HydrophobicContact CE2-CD1 3.96Å; Y289-L307 HydrophobicContact CE2-CD2 3.92Å; Y289-L307 HydrophobicContact CE2-CG 4.25Å; Y289-L307 HydrophobicContact CG-CD2 4.46Å; Y289-F311 AromaticContact CD2-CE2 3.55Å; Y289-F311 HydrophobicContact CD2-CE2 3.55Å; Y289-F311 AromaticContact CD2-CZ 3.48Å; Y289-F311 HydrophobicContact CD2-CZ 3.48Å; Y289-F311 VanDerWaalsContact CD2-CZ 3.48Å; Y289-F311 AromaticContact CE2-CE2 3.9Å; Y289-F311 HydrophobicContact CE2-CE2 3.9Å; Y289-F311 HydrophobicContact CE2-CZ 4.22Å; Y289-F311 HydrophobicContact CG-CE2 4.28Å; Y289-F311 AromaticContact CG-CZ 3.76Å; Y289-F311 HydrophobicContact CG-CZ 3.76Å
290	L	98.9	Very high	98.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-37.8	-178.4	-78.5	173.4	0	0	0	112.4	M242 I275 L278 M286 A287 T288 Y292 V293 R294	M242-L290 HydrophobicContact CG-CD1 4.13Å; I275-L290 HydrophobicContact CD1-CB 4.26Å; I275-L290 HydrophobicContact CG1-CB 4.41Å; I275-L290 HydrophobicContact CG2-CB 3.85Å; I275-L290 HydrophobicContact CG2-CD1 4.26Å; L278-L290 HydrophobicContact CD2-CD1 3.81Å; M286-L290 PolarHBondContact O-N 2.92Å; A287-L290 PolarHBondContact O-N 3.12Å; T288-L290 PolarHBondContact O-N 3.37Å; L290-Y292 VanDerWaalsContact C-N 3.33Å; L290-V293 HydrophobicContact CD2-CG2 4.49Å; L290-R294 VanDerWaalsContact O-CB 3.3Å; L290-R294 WeakPolarHBondContact O-CB 3.47Å; L290-R294 WeakPolarHBondContact O-CG 3.35Å; L290-R294 PolarHBondContact O-N 3.07Å; L290-R294 VanDerWaalsContact O-N 3.14Å
291	R	98.8	Very high	98.7	Very high	72 Å²	72	57.2 Å²	57.2	27%	0.272	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-39	174.9	-78.8	-172.3	-70.6	117.1	-4.9	111.6	I275 E284 A287 T288 Y289 R295	I275-R291 HydrophobicContact CD1-CB 4.36Å; I275-R291 HydrophobicContact CD1-CG 3.57Å; I275-R291 HydrophobicContact CG2-CG 4.32Å; E284-R291 IonicContact OE1-CZ 3.68Å; E284-R291 IonicContact OE1-NE 3.97Å; E284-R291 IonicContact OE1-NH2 2.66Å; E284-R291 PolarHBondContact OE1-NH2 3.09Å; A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 WeakPolarHBondContact O-CG 3.32Å; A287-R291 PolarHBondContact O-N 2.81Å; T288-R291 PolarHBondContact O-N 3.48Å; T288-R291 PolarHBondContact OG1-NH2 2.88Å; Y289-R291 VanDerWaalsContact C-N 3.34Å; Y289-R291 PolarHBondContact O-N 3.21Å; R291-R295 WeakPolarHBondContact O-CD 3.45Å; R291-R295 VanDerWaalsContact O-CG 3.24Å; R291-R295 WeakPolarHBondContact O-CG 3.38Å; R291-R295 PolarHBondContact O-NE 3.09Å
292	Y	98.9	Very high	98.7	Very high	55 Å²	55	50.2 Å²	50.2	22%	0.216	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-57.4	176.8	177	-87.6	0	0	0	110.9	T288 Y289 L290 R294 R295 L296 D303 Y306 L307	T288-Y292 WeakPolarHBondContact O-CB 3.3Å; T288-Y292 PolarHBondContact O-N 3.03Å; Y289-Y292 WeakPolarHBondContact O-CB 3.38Å; Y289-Y292 PolarHBondContact O-N 3.36Å; L290-Y292 VanDerWaalsContact C-N 3.33Å; Y292-R294 VanDerWaalsContact C-N 3.3Å; Y292-R294 PolarHBondContact O-N 3.05Å; Y292-R295 PolarHBondContact O-N 3.47Å; Y292-L296 HydrophobicContact CD1-CD1 4.4Å; Y292-L296 HydrophobicContact CD1-CG 4.44Å; Y292-L296 HydrophobicContact CE1-CD1 3.99Å; Y292-L296 HydrophobicContact CE1-CD2 3.88Å; Y292-L296 HydrophobicContact CE1-CG 4.1Å; Y292-L296 PolarHBondContact O-N 3.13Å; Y292-D303 VanDerWaalsContact OH-CB 3.22Å; Y292-D303 WeakPolarHBondContact OH-CB 2.97Å; Y292-D303 PolarHBondContact OH-N 3.46Å; Y292-Y306 AromaticContact CD2-CD1 3.89Å; Y292-Y306 HydrophobicContact CD2-CD1 3.89Å; Y292-Y306 AromaticContact CD2-CE1 3.57Å; Y292-Y306 HydrophobicContact CD2-CE1 3.57Å; Y292-Y306 AromaticContact CE2-CD1 3.85Å; Y292-Y306 HydrophobicContact CE2-CD1 3.85Å; Y292-Y306 HydrophobicContact CE2-CE1 4Å; Y292-Y306 HydrophobicContact CG-CD1 4.35Å; Y292-Y306 AromaticContact CG-CE1 3.99Å; Y292-Y306 HydrophobicContact CG-CE1 3.99Å; Y292-L307 HydrophobicContact CD1-CD1 4.14Å; Y292-L307 HydrophobicContact CD1-CD2 3.56Å; Y292-L307 HydrophobicContact CD1-CG 4.12Å; Y292-L307 HydrophobicContact CE1-CD1 4.03Å; Y292-L307 HydrophobicContact CE1-CD2 4.04Å; Y292-L307 HydrophobicContact CE1-CG 4.1Å; Y292-L307 HydrophobicContact CG-CD2 4.04Å
293	V	98.8	Very high	98.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-31.1	-172.1	-58.7	0	0	0	0	113	L234 E235 Y289 L290 R295 L296 L307	L234-V293 HydrophobicContact CB-CB 4.18Å; L234-V293 HydrophobicContact CB-CG1 3.72Å; L234-V293 HydrophobicContact CD1-CG1 4.39Å; E235-V293 HydrophobicContact CB-CG2 4.03Å; E235-V293 HydrophobicContact CG-CG2 4.35Å; Y289-V293 HydrophobicContact CD1-CG1 4.39Å; Y289-V293 HydrophobicContact CD1-CG2 4.4Å; Y289-V293 HydrophobicContact CE1-CG1 3.95Å; Y289-V293 HydrophobicContact CE1-CG2 4.17Å; Y289-V293 HydrophobicContact CE2-CG1 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.48Å; Y289-V293 PolarHBondContact O-N 3.42Å; L290-V293 HydrophobicContact CD2-CG2 4.49Å; V293-R295 VanDerWaalsContact C-N 3.3Å; V293-R295 PolarHBondContact O-N 3.31Å; V293-L296 HydrophobicContact CB-CD1 4.47Å; V293-L307 HydrophobicContact CG1-CD1 4.09Å
294	R	98.6	Very high	98.8	Very high	56 Å²	56	50.3 Å²	50.3	21%	0.211	22%	0.223	C	C	.	.	H	α-helix	trans	-71.9	-20.1	174.9	-76.8	178.3	173.8	-175.3	6.5	113.9	I220 E235 H239 I275 L290 Y292	I220-R294 VanDerWaalsContact CD1-CZ 3.5Å; E235-R294 HydrophobicContact CG-CG 4.07Å; E235-R294 IonicContact OE1-NE 3.53Å; E235-R294 WeakPolarHBondContact OE2-CG 3.47Å; H239-R294 PolarHBondContact NE2-NH2 3.27Å; H239-R294 VanDerWaalsContact NE2-NH2 3.13Å; I275-R294 VanDerWaalsContact CG1-NH1 3.33Å; L290-R294 VanDerWaalsContact O-CB 3.3Å; L290-R294 WeakPolarHBondContact O-CB 3.47Å; L290-R294 WeakPolarHBondContact O-CG 3.35Å; L290-R294 PolarHBondContact O-N 3.07Å; L290-R294 VanDerWaalsContact O-N 3.14Å; Y292-R294 VanDerWaalsContact C-N 3.3Å; Y292-R294 PolarHBondContact O-N 3.05Å
295	R	98.6	Very high	98.8	Very high	192 Å²	192	50.4 Å²	50.4	73%	0.725	22%	0.224	S	C	*	.	H	α-helix	trans	-91.6	-16.4	179.1	-73.2	177.6	-150.9	-111.1	1.4	113.6	R291 Y292 V293 D297	R291-R295 WeakPolarHBondContact O-CD 3.45Å; R291-R295 VanDerWaalsContact O-CG 3.24Å; R291-R295 WeakPolarHBondContact O-CG 3.38Å; R291-R295 PolarHBondContact O-NE 3.09Å; Y292-R295 PolarHBondContact O-N 3.47Å; V293-R295 VanDerWaalsContact C-N 3.3Å; V293-R295 PolarHBondContact O-N 3.31Å; R295-D297 PolarHBondContact O-N 3.13Å
296	L	98.8	Very high	98.8	Very high	5 Å²	5	53 Å²	53	3%	0.026	23%	0.233	C	C	.	.			trans	-55.2	134.3	178.3	-71.5	171.7	0	0	0	111.1	R231 L234 Y292 V293 E300 P302	R231-L296 HydrophobicContact CB-CB 3.77Å; R231-L296 HydrophobicContact CB-CD1 3.9Å; R231-L296 WeakPolarHBondContact CD-O 3.42Å; R231-L296 PolarHBondContact NH1-O 2.8Å; L234-L296 HydrophobicContact CD1-CD1 4.48Å; Y292-L296 HydrophobicContact CD1-CD1 4.4Å; Y292-L296 HydrophobicContact CD1-CG 4.44Å; Y292-L296 HydrophobicContact CE1-CD1 3.99Å; Y292-L296 HydrophobicContact CE1-CD2 3.88Å; Y292-L296 HydrophobicContact CE1-CG 4.1Å; Y292-L296 PolarHBondContact O-N 3.13Å; V293-L296 HydrophobicContact CB-CD1 4.47Å; L296-E300 WeakPolarHBondContact CA-OE2 3.44Å; L296-E300 HydrophobicContact CD2-CB 4.32Å; L296-E300 VanDerWaalsContact CD2-CD 3.41Å; L296-E300 HydrophobicContact CD2-CG 3.9Å; L296-P302 HydrophobicContact CD1-CB 4.01Å; L296-P302 HydrophobicContact CD1-CG 3.96Å
297	D	98.8	Very high	98.8	Very high	85 Å²	85	52.8 Å²	52.8	46%	0.455	23%	0.232	S	C	.	.			trans	-68.9	159.1	170.6	-178	48.4	0	0	0	111.3	R295 F299 E300	R295-D297 PolarHBondContact O-N 3.13Å; D297-F299 PolarHBondContact O-N 3.42Å; D297-F299 WeakPolarHBondContact OD2-CD2 3.18Å; D297-F299 PolarHBondContact OD2-N 3.09Å; D297-E300 HydrophobicContact CB-CB 4.13Å; D297-E300 PolarHBondContact N-OE2 3.5Å; D297-E300 WeakPolarHBondContact O-CB 3.41Å; D297-E300 PolarHBondContact O-N 2.82Å; D297-E300 VanDerWaalsContact O-N 3.16Å
298	F	98.8	Very high	98.8	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.013	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.5	-177.4	176.1	-106.2	0	0	0	112.4	H202 I203 Y205 E227 S229 R231	H202-F298 AromaticContact CE1-CE1 3.55Å; H202-F298 AromaticContact CE1-CZ 3.79Å; H202-F298 AromaticContact ND1-CE1 3.75Å; I203-F298 HydrophobicContact CD1-CZ 4.41Å; I203-F298 HydrophobicContact CG1-CZ 4.22Å; I203-F298 WeakPolarHBondContact O-CE1 3.19Å; Y205-F298 HydrophobicContact CD2-CB 4.15Å; Y205-F298 AromaticContact CD2-CD1 3.88Å; Y205-F298 HydrophobicContact CD2-CD1 3.88Å; Y205-F298 AromaticContact CD2-CD2 3.93Å; Y205-F298 HydrophobicContact CD2-CD2 3.93Å; Y205-F298 HydrophobicContact CD2-CE1 4.25Å; Y205-F298 HydrophobicContact CD2-CE2 4.3Å; Y205-F298 AromaticContact CD2-CG 3.7Å; Y205-F298 HydrophobicContact CD2-CG 3.7Å; Y205-F298 HydrophobicContact CD2-CZ 4.44Å; Y205-F298 HydrophobicContact CE2-CD2 4.45Å; Y205-F298 HydrophobicContact CE2-CG 4.46Å; Y205-F298 HydrophobicContact CG-CD1 4.42Å; E227-F298 HydrophobicContact CB-CE2 4.15Å; E227-F298 HydrophobicContact CB-CZ 4.19Å; E227-F298 HydrophobicContact CG-CE2 4.43Å; E227-F298 HydrophobicContact CG-CZ 4.2Å; E227-F298 WeakPolarHBondContact O-CE2 3.19Å; S229-F298 VanDerWaalsContact CB-O 3.26Å; S229-F298 WeakPolarHBondContact CB-O 3.47Å; S229-F298 PolarHBondContact OG-O 3.3Å; R231-F298 VanDerWaalsContact CZ-CA 3.5Å
299	F	98.6	Very high	98.8	Very high	98 Å²	98	55.1 Å²	55.1	43%	0.43	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.4	-177.9	-55.5	-74.9	0	0	0	113.3	H202 I203 R230 D297	H202-F299 HydrophobicContact CB-CD1 3.94Å; H202-F299 AromaticContact CG-CD1 3.68Å; H202-F299 AromaticContact ND1-CD1 3.47Å; H202-F299 WeakPolarHBondContact ND1-CD1 3.32Å; H202-F299 AromaticContact ND1-CE1 3.88Å; I203-F299 WeakPolarHBondContact O-CE1 3.35Å; R230-F299 PolarHBondContact NH2-O 2.96Å; D297-F299 PolarHBondContact O-N 3.42Å; D297-F299 WeakPolarHBondContact OD2-CD2 3.18Å; D297-F299 PolarHBondContact OD2-N 3.09Å
300	E	98.8	Very high	98.8	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-66.8	143.2	-170.7	-165.4	170	171.6	0	0	111.6	R230 L296 D297 P302	R230-E300 PolarHBondContact NE-O 3Å; R230-E300 PolarHBondContact NH2-O 3.09Å; L296-E300 WeakPolarHBondContact CA-OE2 3.44Å; L296-E300 HydrophobicContact CD2-CB 4.32Å; L296-E300 VanDerWaalsContact CD2-CD 3.41Å; L296-E300 HydrophobicContact CD2-CG 3.9Å; D297-E300 HydrophobicContact CB-CB 4.13Å; D297-E300 PolarHBondContact N-OE2 3.5Å; D297-E300 WeakPolarHBondContact O-CB 3.41Å; D297-E300 PolarHBondContact O-N 2.82Å; D297-E300 VanDerWaalsContact O-N 3.16Å; E300-P302 WeakPolarHBondContact O-CD 3.45Å
301	K	98.8	Very high	98.8	Very high	144 Å²	144	56.2 Å²	56.2	63%	0.626	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-86.9	117.6	169.5	-177.1	-173.4	173.6	-171.1	0	107.1
302	P	98.8	Very high	98.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.019	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60.1	145.2	175.1	-19.7	30.6	0	0	0	111.7	R230 L234 L296 E300 Y304	R230-P302 HydrophobicContact CB-CG 4.01Å; L234-P302 HydrophobicContact CD1-CB 3.36Å; L234-P302 HydrophobicContact CD1-CG 3.48Å; L234-P302 VanDerWaalsContact CD1-CG 3.48Å; L296-P302 HydrophobicContact CD1-CB 4.01Å; L296-P302 HydrophobicContact CD1-CG 3.96Å; E300-P302 WeakPolarHBondContact O-CD 3.45Å; P302-Y304 HydrophobicContact CB-CD1 4.44Å; P302-Y304 HydrophobicContact CB-CD2 4.49Å; P302-Y304 HydrophobicContact CB-CE1 4.04Å; P302-Y304 HydrophobicContact CB-CE2 4.08Å; P302-Y304 WeakPolarHBondContact CD-OH 3.41Å; P302-Y304 HydrophobicContact CG-CE1 4.2Å; P302-Y304 HydrophobicContact CG-CE2 4.32Å; P302-Y304 WeakPolarHBondContact CG-OH 3.4Å; P302-Y304 VanDerWaalsContact O-CD2 3.22Å; P302-Y304 WeakPolarHBondContact O-CD2 3.39Å; P302-Y304 VanDerWaalsContact O-CE2 3.31Å; P302-Y304 WeakPolarHBondContact O-CE2 3.2Å; P302-Y304 PolarHBondContact O-N 3.35Å
303	D	98.8	Very high	98.8	Very high	82 Å²	82	56.6 Å²	56.6	44%	0.439	26%	0.261	S	S	.	.			trans	-83.8	84.4	167.5	-167.4	-22.3	0	0	0	109	Y292 E305 Y306 L307	Y292-D303 VanDerWaalsContact OH-CB 3.22Å; Y292-D303 WeakPolarHBondContact OH-CB 2.97Å; Y292-D303 PolarHBondContact OH-N 3.46Å; D303-E305 PolarHBondContact O-N 3.03Å; D303-E305 PolarHBondContact OD1-N 3.05Å; D303-Y306 VanDerWaalsContact CG-CB 3.45Å; D303-Y306 PolarHBondContact O-N 2.89Å; D303-Y306 PolarHBondContact OD1-N 3.11Å; D303-L307 WeakPolarHBondContact O-CG 3.28Å; D303-L307 PolarHBondContact O-N 2.97Å
304	Y	98.9	Very high	98.8	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-29.5	-179.5	-56.5	-85.1	0	0	0	112.2	E153 H156 L234 P302 L307 R308	E153-Y304 HydrophobicContact CB-CD1 3.71Å; E153-Y304 HydrophobicContact CB-CD2 4.03Å; E153-Y304 HydrophobicContact CB-CE1 4.1Å; E153-Y304 HydrophobicContact CB-CE2 4.4Å; E153-Y304 HydrophobicContact CB-CG 3.69Å; E153-Y304 HydrophobicContact CG-CD1 4.25Å; E153-Y304 HydrophobicContact CG-CD2 3.61Å; E153-Y304 HydrophobicContact CG-CE2 4.03Å; E153-Y304 HydrophobicContact CG-CG 3.75Å; E153-Y304 WeakPolarHBondContact OE1-CD2 3.32Å; H156-Y304 WeakPolarHBondContact CB-OH 3.44Å; H156-Y304 AromaticContact ND1-CE1 3.58Å; H156-Y304 AromaticContact ND1-CZ 3.5Å; H156-Y304 PolarHBondContact ND1-OH 3.42Å; L234-Y304 HydrophobicContact CD1-CD1 4.4Å; L234-Y304 HydrophobicContact CD1-CE1 3.97Å; L234-Y304 HydrophobicContact CD2-CD1 4.38Å; L234-Y304 HydrophobicContact CD2-CE1 4.09Å; L234-Y304 HydrophobicContact CG-CE1 4.44Å; P302-Y304 HydrophobicContact CB-CD1 4.44Å; P302-Y304 HydrophobicContact CB-CD2 4.49Å; P302-Y304 HydrophobicContact CB-CE1 4.04Å; P302-Y304 HydrophobicContact CB-CE2 4.08Å; P302-Y304 WeakPolarHBondContact CD-OH 3.41Å; P302-Y304 HydrophobicContact CG-CE1 4.2Å; P302-Y304 HydrophobicContact CG-CE2 4.32Å; P302-Y304 WeakPolarHBondContact CG-OH 3.4Å; P302-Y304 VanDerWaalsContact O-CD2 3.22Å; P302-Y304 WeakPolarHBondContact O-CD2 3.39Å; P302-Y304 VanDerWaalsContact O-CE2 3.31Å; P302-Y304 WeakPolarHBondContact O-CE2 3.2Å; P302-Y304 PolarHBondContact O-N 3.35Å; Y304-L307 PolarHBondContact O-N 3.03Å; Y304-R308 PolarHBondContact O-N 3.09Å
305	E	98.8	Very high	98.8	Very high	106 Å²	106	54.5 Å²	54.5	50%	0.495	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-49.3	179.3	-170.9	57.1	-157.6	0	0	110.3	D303 L307 R308 T309	D303-E305 PolarHBondContact O-N 3.03Å; D303-E305 PolarHBondContact OD1-N 3.05Å; E305-L307 PolarHBondContact O-N 3.11Å; E305-R308 PolarHBondContact O-N 2.79Å; E305-R308 IonicContact OE2-CZ 3.15Å; E305-R308 IonicContact OE2-NE 3.36Å; E305-R308 PolarHBondContact OE2-NE 2.91Å; E305-R308 VanDerWaalsContact OE2-NE 3.11Å; E305-R308 IonicContact OE2-NH2 2.78Å; E305-R308 PolarHBondContact OE2-NH2 2.86Å; E305-T309 PolarHBondContact O-N 3.39Å; E305-T309 PolarHBondContact O-OG1 2.79Å
306	Y	98.8	Very high	98.8	Very high	88 Å²	88	52 Å²	52	35%	0.345	25%	0.25	S	S	.	.	H	α-helix	trans	-51.2	-45.4	172.3	168.1	-107.9	0	0	0	112.5	T288 Y292 D303 R308 T309 L310	T288-Y306 WeakPolarHBondContact CG2-OH 3.42Å; Y292-Y306 AromaticContact CD2-CD1 3.89Å; Y292-Y306 HydrophobicContact CD2-CD1 3.89Å; Y292-Y306 AromaticContact CD2-CE1 3.57Å; Y292-Y306 HydrophobicContact CD2-CE1 3.57Å; Y292-Y306 AromaticContact CE2-CD1 3.85Å; Y292-Y306 HydrophobicContact CE2-CD1 3.85Å; Y292-Y306 HydrophobicContact CE2-CE1 4Å; Y292-Y306 HydrophobicContact CG-CD1 4.35Å; Y292-Y306 AromaticContact CG-CE1 3.99Å; Y292-Y306 HydrophobicContact CG-CE1 3.99Å; D303-Y306 VanDerWaalsContact CG-CB 3.45Å; D303-Y306 PolarHBondContact O-N 2.89Å; D303-Y306 PolarHBondContact OD1-N 3.11Å; Y306-R308 PolarHBondContact O-N 2.97Å; Y306-T309 PolarHBondContact O-N 2.76Å; Y306-L310 WeakPolarHBondContact O-CB 3.34Å; Y306-L310 PolarHBondContact O-N 2.84Å
307	L	98.9	Very high	98.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-35.1	179.2	-66.5	178.5	0	0	0	113.1	L149 L234 Y289 Y292 V293 D303 Y304 E305	L149-L307 HydrophobicContact CD1-CB 3.94Å; L149-L307 HydrophobicContact CD2-CB 4.24Å; L149-L307 HydrophobicContact CD2-CD1 4.26Å; L234-L307 HydrophobicContact CD1-CD1 3.91Å; Y289-L307 HydrophobicContact CD2-CB 4.39Å; Y289-L307 HydrophobicContact CD2-CD2 3.66Å; Y289-L307 HydrophobicContact CD2-CG 4.42Å; Y289-L307 HydrophobicContact CE2-CB 4.19Å; Y289-L307 HydrophobicContact CE2-CD1 3.96Å; Y289-L307 HydrophobicContact CE2-CD2 3.92Å; Y289-L307 HydrophobicContact CE2-CG 4.25Å; Y289-L307 HydrophobicContact CG-CD2 4.46Å; Y292-L307 HydrophobicContact CD1-CD1 4.14Å; Y292-L307 HydrophobicContact CD1-CD2 3.56Å; Y292-L307 HydrophobicContact CD1-CG 4.12Å; Y292-L307 HydrophobicContact CE1-CD1 4.03Å; Y292-L307 HydrophobicContact CE1-CD2 4.04Å; Y292-L307 HydrophobicContact CE1-CG 4.1Å; Y292-L307 HydrophobicContact CG-CD2 4.04Å; V293-L307 HydrophobicContact CG1-CD1 4.09Å; D303-L307 WeakPolarHBondContact O-CG 3.28Å; D303-L307 PolarHBondContact O-N 2.97Å; Y304-L307 PolarHBondContact O-N 3.03Å; E305-L307 PolarHBondContact O-N 3.11Å
308	R	98.8	Very high	98.7	Very high	28 Å²	28	60.7 Å²	60.7	11%	0.106	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-47.5	172.9	-79.1	-173.3	-68	-91.4	-2.2	111.1	L149 E153 Y304 E305 Y306 L310 F311 T312	L149-R308 HydrophobicContact CB-CG 3.9Å; L149-R308 HydrophobicContact CD1-CG 3.91Å; E153-R308 IonicContact OE2-CZ 3.87Å; E153-R308 VanDerWaalsContact OE2-CZ 3.22Å; E153-R308 IonicContact OE2-NH1 3.91Å; E153-R308 PolarHBondContact OE2-NH1 2.85Å; E153-R308 IonicContact OE2-NH2 3.06Å; E153-R308 PolarHBondContact OE2-NH2 2.89Å; Y304-R308 PolarHBondContact O-N 3.09Å; E305-R308 PolarHBondContact O-N 2.79Å; E305-R308 IonicContact OE2-CZ 3.15Å; E305-R308 IonicContact OE2-NE 3.36Å; E305-R308 PolarHBondContact OE2-NE 2.91Å; E305-R308 VanDerWaalsContact OE2-NE 3.11Å; E305-R308 IonicContact OE2-NH2 2.78Å; E305-R308 PolarHBondContact OE2-NH2 2.86Å; Y306-R308 PolarHBondContact O-N 2.97Å; R308-L310 PolarHBondContact O-N 3.38Å; R308-F311 PolarHBondContact O-N 2.89Å; R308-T312 PolarHBondContact O-N 3.19Å; R308-T312 PolarHBondContact O-OG1 3.08Å
309	T	98.8	Very high	98.7	Very high	46 Å²	46	63.6 Å²	63.6	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-54.6	-42.9	178.4	-54.9	0	0	0	0	111	E305 Y306 F311 T312 D313	E305-T309 PolarHBondContact O-N 3.39Å; E305-T309 PolarHBondContact O-OG1 2.79Å; Y306-T309 PolarHBondContact O-N 2.76Å; T309-F311 PolarHBondContact O-N 2.86Å; T309-T312 VanDerWaalsContact CA-OG1 3.22Å; T309-T312 WeakPolarHBondContact CA-OG1 3.42Å; T309-T312 PolarHBondContact O-N 2.99Å; T309-T312 PolarHBondContact O-OG1 3.14Å; T309-T312 VanDerWaalsContact O-OG1 3.05Å; T309-D313 VanDerWaalsContact O-CB 3.3Å; T309-D313 WeakPolarHBondContact O-CB 3.48Å; T309-D313 PolarHBondContact O-N 2.84Å
310	L	98.8	Very high	98.7	Very high	24 Å²	24	62.6 Å²	62.6	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-53.3	-40.8	175.5	-176.8	64.1	0	0	0	112.9	E285 T288 Y306 R308	E285-L310 HydrophobicContact CB-CD1 3.82Å; E285-L310 HydrophobicContact CB-CD2 4.45Å; E285-L310 HydrophobicContact CB-CG 3.87Å; E285-L310 HydrophobicContact CG-CD1 3.61Å; E285-L310 HydrophobicContact CG-CG 4.14Å; E285-L310 WeakPolarHBondContact O-CD2 3.42Å; T288-L310 HydrophobicContact CG2-CD1 4.17Å; T288-L310 HydrophobicContact CG2-CD2 4Å; Y306-L310 WeakPolarHBondContact O-CB 3.34Å; Y306-L310 PolarHBondContact O-N 2.84Å; R308-L310 PolarHBondContact O-N 3.38Å
311	F	98.8	Very high	98.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-86	-33	179.2	-66.3	-37.5	0	0	0	113.5	L142 A145 I146 L149 F241 M286 Y289 R308 T309 F315	L142-F311 HydrophobicContact CD2-CB 3.87Å; L142-F311 HydrophobicContact CD2-CD1 3.62Å; L142-F311 HydrophobicContact CD2-CE1 4.44Å; L142-F311 HydrophobicContact CD2-CG 3.93Å; A145-F311 HydrophobicContact CB-CD2 3.75Å; A145-F311 HydrophobicContact CB-CE2 3.85Å; A145-F311 HydrophobicContact CB-CG 4.49Å; I146-F311 HydrophobicContact CD1-CB 4.47Å; I146-F311 HydrophobicContact CG1-CB 4.08Å; L149-F311 HydrophobicContact CD1-CD2 3.94Å; L149-F311 HydrophobicContact CD1-CE2 4.11Å; F241-F311 HydrophobicContact CD2-CE2 4.28Å; F241-F311 HydrophobicContact CD2-CZ 4.28Å; F241-F311 HydrophobicContact CE2-CE2 4.02Å; F241-F311 HydrophobicContact CE2-CZ 4.45Å; M286-F311 HydrophobicContact CE-CD1 4.42Å; M286-F311 HydrophobicContact CE-CE1 3.97Å; M286-F311 HydrophobicContact SD-CE1 3.9Å; M286-F311 HydrophobicContact SD-CZ 4.26Å; Y289-F311 AromaticContact CD2-CE2 3.55Å; Y289-F311 HydrophobicContact CD2-CE2 3.55Å; Y289-F311 AromaticContact CD2-CZ 3.48Å; Y289-F311 HydrophobicContact CD2-CZ 3.48Å; Y289-F311 VanDerWaalsContact CD2-CZ 3.48Å; Y289-F311 AromaticContact CE2-CE2 3.9Å; Y289-F311 HydrophobicContact CE2-CE2 3.9Å; Y289-F311 HydrophobicContact CE2-CZ 4.22Å; Y289-F311 HydrophobicContact CG-CE2 4.28Å; Y289-F311 AromaticContact CG-CZ 3.76Å; Y289-F311 HydrophobicContact CG-CZ 3.76Å; R308-F311 PolarHBondContact O-N 2.89Å; T309-F311 PolarHBondContact O-N 2.86Å; F311-F315 VanDerWaalsContact O-CB 3.25Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 PolarHBondContact O-N 3Å
312	T	98.8	Very high	98.6	Very high	45 Å²	45	59.9 Å²	59.9	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-67.7	-42.5	174.8	54.2	0	0	0	0	111.3	I146 R308 T309 L314 F315 E316	I146-T312 HydrophobicContact CD1-CG2 3.67Å; I146-T312 HydrophobicContact CG1-CG2 4.1Å; R308-T312 PolarHBondContact O-N 3.19Å; R308-T312 PolarHBondContact O-OG1 3.08Å; T309-T312 VanDerWaalsContact CA-OG1 3.22Å; T309-T312 WeakPolarHBondContact CA-OG1 3.42Å; T309-T312 PolarHBondContact O-N 2.99Å; T309-T312 PolarHBondContact O-OG1 3.14Å; T309-T312 VanDerWaalsContact O-OG1 3.05Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.93Å; T312-F315 WeakPolarHBondContact O-CA 3.13Å; T312-F315 VanDerWaalsContact O-CB 3.3Å; T312-F315 WeakPolarHBondContact O-CB 3.42Å; T312-F315 PolarHBondContact O-N 3.46Å; T312-F315 VanDerWaalsContact O-N 3.08Å; T312-E316 WeakPolarHBondContact O-CG 3.38Å; T312-E316 PolarHBondContact O-N 3.31Å
313	D	98.8	Very high	98.5	Very high	91 Å²	91	63.4 Å²	63.4	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-42.2	178.1	-69.8	3.2	0	0	0	110.9	T309 F315 E316 K317	T309-D313 VanDerWaalsContact O-CB 3.3Å; T309-D313 WeakPolarHBondContact O-CB 3.48Å; T309-D313 PolarHBondContact O-N 2.84Å; D313-F315 VanDerWaalsContact C-N 3.33Å; D313-E316 PolarHBondContact O-N 3.15Å; D313-K317 WeakPolarHBondContact O-CB 3.13Å; D313-K317 PolarHBondContact O-N 3.07Å
314	L	98.8	Very high	98.4	Very high	3 Å²	3	64 Å²	64	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-40.9	173.1	173.7	60.6	0	0	0	111.6	L142 P283 E285 T312 K317 K318	L142-L314 HydrophobicContact CD1-CD2 4.05Å; L142-L314 HydrophobicContact CD1-CG 4.01Å; L142-L314 HydrophobicContact CD2-CD2 3.97Å; P283-L314 HydrophobicContact CB-CD1 3.98Å; P283-L314 HydrophobicContact CB-CD2 3.54Å; P283-L314 HydrophobicContact CB-CG 4.43Å; P283-L314 HydrophobicContact CG-CD1 4.31Å; P283-L314 HydrophobicContact CG-CD2 3.88Å; E285-L314 HydrophobicContact CB-CD2 3.9Å; E285-L314 HydrophobicContact CG-CB 4.03Å; E285-L314 HydrophobicContact CG-CD2 4.12Å; E285-L314 HydrophobicContact CG-CG 4.5Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.93Å; L314-K317 PolarHBondContact O-N 2.73Å; L314-K318 HydrophobicContact CD1-CG 4.02Å; L314-K318 WeakPolarHBondContact O-CB 3.48Å; L314-K318 VanDerWaalsContact O-CG 3.29Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.25Å
315	F	98.6	Very high	98.2	Very high	9 Å²	9	65.6 Å²	65.6	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-46.4	179	-168.2	-91.7	0	0	0	111.3	K139 L142 M143 F311 T312 D313 K318 G319 Y320 T321 F322	K139-F315 HydrophobicContact CG-CE2 3.76Å; K139-F315 HydrophobicContact CG-CZ 4.14Å; L142-F315 HydrophobicContact CB-CD2 3.72Å; L142-F315 HydrophobicContact CB-CE2 4.4Å; L142-F315 HydrophobicContact CD1-CB 4.16Å; L142-F315 HydrophobicContact CD1-CD2 3.95Å; M143-F315 HydrophobicContact CG-CE2 3.6Å; M143-F315 HydrophobicContact CG-CZ 3.85Å; M143-F315 HydrophobicContact SD-CE2 4.39Å; M143-F315 HydrophobicContact SD-CZ 4.2Å; F311-F315 VanDerWaalsContact O-CB 3.25Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 PolarHBondContact O-N 3Å; T312-F315 WeakPolarHBondContact O-CA 3.13Å; T312-F315 VanDerWaalsContact O-CB 3.3Å; T312-F315 WeakPolarHBondContact O-CB 3.42Å; T312-F315 PolarHBondContact O-N 3.46Å; T312-F315 VanDerWaalsContact O-N 3.08Å; D313-F315 VanDerWaalsContact C-N 3.33Å; F315-K318 PolarHBondContact O-N 2.92Å; F315-G319 PolarHBondContact O-N 3.22Å; F315-Y320 AromaticContact CD2-CD2 3.8Å; F315-Y320 HydrophobicContact CD2-CD2 3.8Å; F315-Y320 HydrophobicContact CD2-CG 4.35Å; F315-Y320 VanDerWaalsContact CE1-C 3.42Å; F315-Y320 VanDerWaalsContact CE1-CB 3.48Å; F315-Y320 VanDerWaalsContact CE1-O 3.24Å; F315-Y320 WeakPolarHBondContact CE1-O 3.46Å; F315-Y320 AromaticContact CE2-CD2 3.99Å; F315-Y320 HydrophobicContact CE2-CD2 3.99Å; F315-Y320 HydrophobicContact CE2-CG 4.23Å; F315-Y320 HydrophobicContact CG-CD2 4.3Å; F315-Y320 VanDerWaalsContact CZ-CB 3.43Å; F315-Y320 HydrophobicContact CZ-CG 4.47Å; F315-Y320 PolarHBondContact O-N 3.19Å; F315-Y320 VanDerWaalsContact O-N 3.11Å; F315-T321 VanDerWaalsContact CE1-C 3.42Å; F315-T321 WeakPolarHBondContact CZ-O 3.39Å; F315-F322 HydrophobicContact CE1-CB 4.05Å; F315-F322 HydrophobicContact CE1-CD2 4.29Å; F315-F322 HydrophobicContact CZ-CB 4.36Å; F315-F322 HydrophobicContact CZ-CD2 4.31Å
316	E	98.4	Very high	98.2	Very high	139 Å²	139	61 Å²	61	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-65.9	-44.3	175.4	-69.6	-179.6	-175.3	0	0	112.1	T312 D313 K318 G319	T312-E316 WeakPolarHBondContact O-CG 3.38Å; T312-E316 PolarHBondContact O-N 3.31Å; D313-E316 PolarHBondContact O-N 3.15Å; E316-K318 PolarHBondContact O-N 2.86Å; E316-G319 WeakPolarHBondContact O-CA 3.46Å; E316-G319 PolarHBondContact O-N 2.8Å
317	K	98.5	Very high	98.2	Very high	164 Å²	164	58.6 Å²	58.6	71%	0.713	31%	0.305	S	S	*	.	H	α-helix	trans	-59.3	-30.7	176.3	-179.8	180	176.8	-176.8	0	112.8	D313 L314 G319	D313-K317 WeakPolarHBondContact O-CB 3.13Å; D313-K317 PolarHBondContact O-N 3.07Å; L314-K317 PolarHBondContact O-N 2.73Å; K317-G319 VanDerWaalsContact C-N 3.26Å
318	K	98.4	Very high	98	Very high	109 Å²	109	59.1 Å²	59.1	47%	0.474	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.1	174.1	-70.3	-68.9	-177	-179.1	0	113.4	L138 L314 F315 E316 Y320	L138-K318 HydrophobicContact CD2-CD 4.47Å; L138-K318 HydrophobicContact CD2-CG 4.28Å; L314-K318 HydrophobicContact CD1-CG 4.02Å; L314-K318 WeakPolarHBondContact O-CB 3.48Å; L314-K318 VanDerWaalsContact O-CG 3.29Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.25Å; F315-K318 PolarHBondContact O-N 2.92Å; E316-K318 PolarHBondContact O-N 2.86Å; K318-Y320 VanDerWaalsContact C-N 3.27Å; K318-Y320 HydrophobicContact CB-CD1 4.22Å; K318-Y320 HydrophobicContact CB-CD2 3.63Å; K318-Y320 HydrophobicContact CB-CE1 4.08Å; K318-Y320 HydrophobicContact CB-CE2 3.47Å; K318-Y320 VanDerWaalsContact CB-CE2 3.47Å; K318-Y320 HydrophobicContact CB-CG 4Å; K318-Y320 HydrophobicContact CG-CD2 4.42Å; K318-Y320 HydrophobicContact CG-CE2 3.91Å; K318-Y320 PolarHBondContact O-N 2.77Å
319	G	98.4	Very high	97.7	Very high	64 Å²	64	62.1 Å²	62.1	66%	0.66	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	25.4	-177.2	0	0	0	0	0	112.9	F315 E316 K317	F315-G319 PolarHBondContact O-N 3.22Å; E316-G319 WeakPolarHBondContact O-CA 3.46Å; E316-G319 PolarHBondContact O-N 2.8Å; K317-G319 VanDerWaalsContact C-N 3.26Å
320	Y	98.6	Very high	97.2	Very high	78 Å²	78	63.9 Å²	63.9	31%	0.306	36%	0.356	S	S	.	.			trans	-80.8	148	177.5	-61.5	-32.3	0	0	0	111.3	L138 K139 L142 F315 K318	L138-Y320 HydrophobicContact CD2-CE2 4.29Å; L138-Y320 HydrophobicContact CG-CE2 4.3Å; K139-Y320 HydrophobicContact CB-CD1 4.27Å; K139-Y320 HydrophobicContact CB-CD2 3.84Å; K139-Y320 HydrophobicContact CB-CE1 4.26Å; K139-Y320 HydrophobicContact CB-CE2 3.83Å; K139-Y320 HydrophobicContact CB-CG 4.07Å; K139-Y320 HydrophobicContact CD-CD1 4.31Å; K139-Y320 HydrophobicContact CD-CG 4.31Å; K139-Y320 HydrophobicContact CG-CD1 4.25Å; K139-Y320 HydrophobicContact CG-CD2 4Å; K139-Y320 HydrophobicContact CG-CE2 4.49Å; K139-Y320 HydrophobicContact CG-CG 3.87Å; L142-Y320 HydrophobicContact CD1-CD2 4.45Å; L142-Y320 HydrophobicContact CD1-CE2 4.45Å; F315-Y320 AromaticContact CD2-CD2 3.8Å; F315-Y320 HydrophobicContact CD2-CD2 3.8Å; F315-Y320 HydrophobicContact CD2-CG 4.35Å; F315-Y320 VanDerWaalsContact CE1-C 3.42Å; F315-Y320 VanDerWaalsContact CE1-CB 3.48Å; F315-Y320 VanDerWaalsContact CE1-O 3.24Å; F315-Y320 WeakPolarHBondContact CE1-O 3.46Å; F315-Y320 AromaticContact CE2-CD2 3.99Å; F315-Y320 HydrophobicContact CE2-CD2 3.99Å; F315-Y320 HydrophobicContact CE2-CG 4.23Å; F315-Y320 HydrophobicContact CG-CD2 4.3Å; F315-Y320 VanDerWaalsContact CZ-CB 3.43Å; F315-Y320 HydrophobicContact CZ-CG 4.47Å; F315-Y320 PolarHBondContact O-N 3.19Å; F315-Y320 VanDerWaalsContact O-N 3.11Å; K318-Y320 VanDerWaalsContact C-N 3.27Å; K318-Y320 HydrophobicContact CB-CD1 4.22Å; K318-Y320 HydrophobicContact CB-CD2 3.63Å; K318-Y320 HydrophobicContact CB-CE1 4.08Å; K318-Y320 HydrophobicContact CB-CE2 3.47Å; K318-Y320 VanDerWaalsContact CB-CE2 3.47Å; K318-Y320 HydrophobicContact CB-CG 4Å; K318-Y320 HydrophobicContact CG-CD2 4.42Å; K318-Y320 HydrophobicContact CG-CE2 3.91Å; K318-Y320 PolarHBondContact O-N 2.77Å
321	T	97.6	Very high	96.9	Very high	94 Å²	94	67.3 Å²	67.3	58%	0.577	37%	0.367	S	S	*	.			trans	-104.4	136	173.4	-52.2	0	0	0	0	109.7	K139 F315 D323	K139-T321 WeakPolarHBondContact CE-O 3.44Å; F315-T321 VanDerWaalsContact CE1-C 3.42Å; F315-T321 WeakPolarHBondContact CZ-O 3.39Å; T321-D323 HydrophobicContact CG2-CB 4.2Å; T321-D323 PolarHBondContact O-N 2.87Å
322	F	96.6	Very high	96.4	Very high	77 Å²	77	72.7 Å²	72.7	34%	0.338	40%	0.402	S	S	.	.			trans	-81.1	71.1	177.1	-153	-69.7	0	0	0	109.5	M143 I146 F315 Y324	M143-F322 HydrophobicContact CB-CE2 4.23Å; M143-F322 HydrophobicContact CB-CZ 4.19Å; M143-F322 HydrophobicContact CG-CD2 4.07Å; M143-F322 HydrophobicContact CG-CE2 3.9Å; M143-F322 HydrophobicContact CG-CG 4.48Å; M143-F322 HydrophobicContact CG-CZ 4.15Å; I146-F322 HydrophobicContact CB-CE2 4.46Å; I146-F322 HydrophobicContact CD1-CE2 3.94Å; I146-F322 HydrophobicContact CG2-CE2 4.37Å; F315-F322 HydrophobicContact CE1-CB 4.05Å; F315-F322 HydrophobicContact CE1-CD2 4.29Å; F315-F322 HydrophobicContact CZ-CB 4.36Å; F315-F322 HydrophobicContact CZ-CD2 4.31Å; F322-Y324 HydrophobicContact CD1-CD1 4.38Å; F322-Y324 HydrophobicContact CD1-CE1 4.03Å; F322-Y324 HydrophobicContact CD1-CE2 4.34Å; F322-Y324 AromaticContact CD1-CZ 3.98Å; F322-Y324 AromaticContact CE1-CD1 3.91Å; F322-Y324 HydrophobicContact CE1-CD1 3.91Å; F322-Y324 AromaticContact CE1-CE1 3.4Å; F322-Y324 HydrophobicContact CE1-CE1 3.4Å; F322-Y324 VanDerWaalsContact CE1-CE1 3.4Å; F322-Y324 HydrophobicContact CE1-CE2 4.48Å; F322-Y324 AromaticContact CE1-CZ 3.71Å; F322-Y324 HydrophobicContact CZ-CE1 4.46Å
323	D	96.8	Very high	95.8	Very high	77 Å²	77	71.8 Å²	71.8	41%	0.412	40%	0.395	S	S	.	.	S	Bend	trans	-103.1	3	-171.7	56.2	11.3	0	0	0	113.2	K139 T321 A325	K139-D323 WeakPolarHBondContact CE-OD1 3.31Å; K139-D323 IonicContact NZ-OD1 3.9Å; K139-D323 PolarHBondContact NZ-OD1 3.47Å; K139-D323 IonicContact NZ-OD2 3.67Å; K139-D323 PolarHBondContact NZ-OD2 2.93Å; T321-D323 HydrophobicContact CG2-CB 4.2Å; T321-D323 PolarHBondContact O-N 2.87Å; D323-A325 PolarHBondContact O-N 2.8Å; D323-A325 VanDerWaalsContact O-N 3.16Å; D323-A325 VanDerWaalsContact OD1-CB 3.22Å; D323-A325 WeakPolarHBondContact OD1-CB 2.93Å; D323-A325 PolarHBondContact OD1-N 2.8Å
324	Y	96.6	Very high	94.7	Very high	94 Å²	94	72.5 Å²	72.5	37%	0.369	41%	0.405	S	S	.	.			trans	57.8	19.7	-172.9	-53.5	-79.7	0	0	0	114	H181 F322 Y326	H181-Y324 HydrophobicContact CB-CD1 3.52Å; H181-Y324 HydrophobicContact CB-CD2 4.5Å; H181-Y324 HydrophobicContact CB-CE1 4.17Å; H181-Y324 HydrophobicContact CB-CG 3.68Å; H181-Y324 AromaticContact CD2-CD1 3.53Å; H181-Y324 AromaticContact CD2-CE1 3.22Å; H181-Y324 WeakPolarHBondContact CD2-CE1 3.45Å; H181-Y324 AromaticContact CD2-CG 3.99Å; H181-Y324 AromaticContact CD2-CZ 3.51Å; H181-Y324 AromaticContact CG-CD1 3.71Å; H181-Y324 AromaticContact CG-CE1 3.9Å; H181-Y324 AromaticContact CG-CG 3.86Å; H181-Y324 AromaticContact NE2-CZ 3.94Å; F322-Y324 HydrophobicContact CD1-CD1 4.38Å; F322-Y324 HydrophobicContact CD1-CE1 4.03Å; F322-Y324 HydrophobicContact CD1-CE2 4.34Å; F322-Y324 AromaticContact CD1-CZ 3.98Å; F322-Y324 AromaticContact CE1-CD1 3.91Å; F322-Y324 HydrophobicContact CE1-CD1 3.91Å; F322-Y324 AromaticContact CE1-CE1 3.4Å; F322-Y324 HydrophobicContact CE1-CE1 3.4Å; F322-Y324 VanDerWaalsContact CE1-CE1 3.4Å; F322-Y324 HydrophobicContact CE1-CE2 4.48Å; F322-Y324 AromaticContact CE1-CZ 3.71Å; F322-Y324 HydrophobicContact CZ-CE1 4.46Å; Y324-Y326 VanDerWaalsContact C-N 3.34Å; Y324-Y326 HydrophobicContact CD1-CE2 4.28Å; Y324-Y326 WeakPolarHBondContact O-CD2 2.83Å; Y324-Y326 PolarHBondContact O-N 3.14Å
325	A	96.6	Very high	93.9	Very high	42 Å²	42	75.2 Å²	75.2	35%	0.347	42%	0.422	S	S	.	.			trans	-82.3	82	172.9	0	0	0	0	0	109.9	D323	D323-A325 PolarHBondContact O-N 2.8Å; D323-A325 VanDerWaalsContact O-N 3.16Å; D323-A325 VanDerWaalsContact OD1-CB 3.22Å; D323-A325 WeakPolarHBondContact OD1-CB 2.93Å; D323-A325 PolarHBondContact OD1-N 2.8Å
326	Y	97.8	Very high	92.8	Very high	10 Å²	10	77 Å²	77	4%	0.039	43%	0.434	C	S	.	.			trans	-77.1	163.9	173.7	-57.1	-80.9	0	0	0	112.4	T140 M143 I144 Q147 H181 Y324 W328 V329	T140-Y326 HydrophobicContact CG2-CD1 4.12Å; T140-Y326 WeakPolarHBondContact OG1-CA 3.29Å; M143-Y326 HydrophobicContact CB-CE1 3.7Å; M143-Y326 HydrophobicContact CE-CD1 3.69Å; M143-Y326 HydrophobicContact CE-CE1 3.84Å; M143-Y326 HydrophobicContact CE-CG 4.25Å; M143-Y326 HydrophobicContact SD-CE1 4.46Å; I144-Y326 HydrophobicContact CG1-CE1 4.24Å; Q147-Y326 PolarHBondContact NE2-OH 3.28Å; H181-Y326 HydrophobicContact CB-CE2 4.38Å; H181-Y326 PolarHBondContact O-OH 3.4Å; Y324-Y326 VanDerWaalsContact C-N 3.34Å; Y324-Y326 HydrophobicContact CD1-CE2 4.28Å; Y324-Y326 WeakPolarHBondContact O-CD2 2.83Å; Y324-Y326 PolarHBondContact O-N 3.14Å; Y326-W328 VanDerWaalsContact CB-CZ2 3.41Å; Y326-W328 AromaticContact CD1-CH2 3.45Å; Y326-W328 HydrophobicContact CD1-CH2 3.45Å; Y326-W328 VanDerWaalsContact CD1-CH2 3.45Å; Y326-W328 AromaticContact CD1-CZ2 3.6Å; Y326-W328 HydrophobicContact CD1-CZ2 3.6Å; Y326-W328 HydrophobicContact CD1-CZ3 4.17Å; Y326-W328 AromaticContact CD2-CE2 3.88Å; Y326-W328 HydrophobicContact CD2-CH2 4.24Å; Y326-W328 AromaticContact CD2-CZ2 3.5Å; Y326-W328 HydrophobicContact CD2-CZ2 3.5Å; Y326-W328 VanDerWaalsContact CD2-CZ2 3.5Å; Y326-W328 HydrophobicContact CE1-CH2 4.09Å; Y326-W328 HydrophobicContact CE1-CZ2 4.19Å; Y326-W328 HydrophobicContact CE2-CZ2 4.12Å; Y326-W328 HydrophobicContact CG-CD2 4.35Å; Y326-W328 AromaticContact CG-CE2 3.64Å; Y326-W328 AromaticContact CG-CH2 3.53Å; Y326-W328 HydrophobicContact CG-CH2 3.53Å; Y326-W328 AromaticContact CG-CZ2 3.2Å; Y326-W328 HydrophobicContact CG-CZ2 3.2Å; Y326-W328 HydrophobicContact CG-CZ3 4.22Å; Y326-W328 PolarHBondContact O-N 2.95Å; Y326-W328 VanDerWaalsContact O-N 3.09Å; Y326-V329 WeakPolarHBondContact O-CB 3.4Å; Y326-V329 WeakPolarHBondContact O-CG2 3.16Å; Y326-V329 PolarHBondContact O-N 3.16Å
327	D	98.1	Very high	91.7	Very high	36 Å²	36	71.9 Å²	71.9	19%	0.193	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	-177.2	-57.4	-18.7	0	0	0	114.3	C132 F136 T137 T140 R331	C132-D327 HydrophobicContact CB-CB 4.47Å; C132-D327 VanDerWaalsContact SG-C 3.59Å; F136-D327 VanDerWaalsContact CA-OD2 3.23Å; F136-D327 WeakPolarHBondContact CA-OD2 3.38Å; F136-D327 HydrophobicContact CD1-CB 4.31Å; T137-D327 WeakPolarHBondContact CB-OD1 3.3Å; T137-D327 VanDerWaalsContact CG2-OD1 3.26Å; T137-D327 WeakPolarHBondContact CG2-OD1 3.42Å; T137-D327 PolarHBondContact N-OD2 2.91Å; T137-D327 PolarHBondContact OG1-OD1 3.36Å; T137-D327 PolarHBondContact OG1-OD2 3.13Å; T140-D327 WeakPolarHBondContact CB-OD2 3.37Å; T140-D327 PolarHBondContact OG1-N 3.33Å; T140-D327 VanDerWaalsContact OG1-N 3.08Å; T140-D327 PolarHBondContact OG1-OD1 3.33Å; T140-D327 PolarHBondContact OG1-OD2 3.34Å; D327-R331 PolarHBondContact O-NE 3.21Å
328	W	96	Very high	90	Very high	11 Å²	11	65.7 Å²	65.7	4%	0.042	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.9	177.9	58.2	81.6	0	0	0	113.6	L125 L128 L131 F136 T140 I144 I172 Y326 G330 R331	L125-W328 HydrophobicContact CD2-CH2 4.12Å; L128-W328 HydrophobicContact CB-CD2 4.14Å; L128-W328 HydrophobicContact CB-CE3 3.92Å; L128-W328 HydrophobicContact CB-CZ3 4.38Å; L128-W328 HydrophobicContact CD1-CD2 3.88Å; L128-W328 HydrophobicContact CD1-CE3 4.19Å; L128-W328 HydrophobicContact CD1-CG 4.39Å; L128-W328 HydrophobicContact CD1-CH2 4.19Å; L128-W328 HydrophobicContact CD1-CZ2 3.88Å; L128-W328 HydrophobicContact CD1-CZ3 4.33Å; L128-W328 HydrophobicContact CD2-CB 3.94Å; L128-W328 HydrophobicContact CD2-CD2 4.02Å; L128-W328 HydrophobicContact CD2-CG 3.69Å; L128-W328 HydrophobicContact CG-CD2 4.23Å; L128-W328 HydrophobicContact CG-CE3 4.47Å; L128-W328 HydrophobicContact CG-CG 4.41Å; L131-W328 HydrophobicContact CD2-CB 4.28Å; F136-W328 AromaticContact CE1-CE3 3.75Å; F136-W328 HydrophobicContact CE1-CE3 3.75Å; F136-W328 AromaticContact CE1-CZ3 3.85Å; F136-W328 HydrophobicContact CE1-CZ3 3.85Å; F136-W328 HydrophobicContact CE2-CZ3 4.13Å; F136-W328 AromaticContact CZ-CE3 3.87Å; F136-W328 HydrophobicContact CZ-CE3 3.87Å; F136-W328 AromaticContact CZ-CZ3 3.63Å; F136-W328 HydrophobicContact CZ-CZ3 3.63Å; T140-W328 HydrophobicContact CG2-CE3 4.45Å; T140-W328 HydrophobicContact CG2-CH2 4.28Å; T140-W328 HydrophobicContact CG2-CZ3 3.7Å; I144-W328 HydrophobicContact CD1-CH2 4.02Å; I144-W328 HydrophobicContact CD1-CZ3 4.16Å; I144-W328 HydrophobicContact CG1-CH2 4.35Å; I172-W328 HydrophobicContact CG2-CZ2 4.12Å; Y326-W328 VanDerWaalsContact CB-CZ2 3.41Å; Y326-W328 AromaticContact CD1-CH2 3.45Å; Y326-W328 HydrophobicContact CD1-CH2 3.45Å; Y326-W328 VanDerWaalsContact CD1-CH2 3.45Å; Y326-W328 AromaticContact CD1-CZ2 3.6Å; Y326-W328 HydrophobicContact CD1-CZ2 3.6Å; Y326-W328 HydrophobicContact CD1-CZ3 4.17Å; Y326-W328 AromaticContact CD2-CE2 3.88Å; Y326-W328 HydrophobicContact CD2-CH2 4.24Å; Y326-W328 AromaticContact CD2-CZ2 3.5Å; Y326-W328 HydrophobicContact CD2-CZ2 3.5Å; Y326-W328 VanDerWaalsContact CD2-CZ2 3.5Å; Y326-W328 HydrophobicContact CE1-CH2 4.09Å; Y326-W328 HydrophobicContact CE1-CZ2 4.19Å; Y326-W328 HydrophobicContact CE2-CZ2 4.12Å; Y326-W328 HydrophobicContact CG-CD2 4.35Å; Y326-W328 AromaticContact CG-CE2 3.64Å; Y326-W328 AromaticContact CG-CH2 3.53Å; Y326-W328 HydrophobicContact CG-CH2 3.53Å; Y326-W328 AromaticContact CG-CZ2 3.2Å; Y326-W328 HydrophobicContact CG-CZ2 3.2Å; Y326-W328 HydrophobicContact CG-CZ3 4.22Å; Y326-W328 PolarHBondContact O-N 2.95Å; Y326-W328 VanDerWaalsContact O-N 3.09Å; W328-G330 PolarHBondContact O-N 3.5Å; W328-R331 WeakPolarHBondContact O-CB 3.32Å; W328-R331 PolarHBondContact O-N 3.38Å
329	V	92.8	Very high	87.6	Confident	91 Å²	91	66.1 Å²	66.1	55%	0.552	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	129.9	178.1	176	0	0	0	0	109.3	Y326 R331	Y326-V329 WeakPolarHBondContact O-CB 3.4Å; Y326-V329 WeakPolarHBondContact O-CG2 3.16Å; Y326-V329 PolarHBondContact O-N 3.16Å; V329-R331 VanDerWaalsContact C-N 3.32Å
330	G	87.9	Confident	84.9	Confident	84 Å²	84	67.9 Å²	67.9	87%	0.866	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-6.4	-174.7	0	0	0	0	0	115	W328	W328-G330 PolarHBondContact O-N 3.5Å
331	R	91.8	Very high	81.6	Confident	95 Å²	95	72 Å²	72	36%	0.358	43%	0.432	S	S	.	.	S	Bend	trans	-87.6	147.9	172.5	-58.7	-170.3	-175.6	-137.1	-3.9	110.9	L131 D133 D327 W328 V329 I333	L131-R331 HydrophobicContact CD1-CB 4.32Å; L131-R331 HydrophobicContact CD2-CB 3.88Å; L131-R331 HydrophobicContact CG-CB 4.13Å; L131-R331 PolarHBondContact O-NH1 2.89Å; D133-R331 IonicContact OD2-NH1 3.13Å; D133-R331 PolarHBondContact OD2-NH1 2.95Å; D133-R331 VanDerWaalsContact OD2-NH1 3.13Å; D133-R331 IonicContact OD2-NH2 3.99Å; D327-R331 PolarHBondContact O-NE 3.21Å; W328-R331 WeakPolarHBondContact O-CB 3.32Å; W328-R331 PolarHBondContact O-N 3.38Å; V329-R331 VanDerWaalsContact C-N 3.32Å; R331-I333 PolarHBondContact O-N 3.26Å
332	P	88.8	Confident	78.6	Confident	114 Å²	114	73.4 Å²	73.4	74%	0.74	44%	0.439	S	S	*	.			trans	-69.3	113	176.8	26.9	-32.5	0	0	0	110.8
333	I	86.3	Confident	75.5	Confident	25 Å²	25	76.8 Å²	76.8	13%	0.128	46%	0.461	C	S	.	.			trans	-88	125.2	179.2	-64.9	-176.9	0	0	0	110	P123 L128 L131 I172 Q175 R331 T335	P123-I333 HydrophobicContact CB-CG2 4.36Å; P123-I333 HydrophobicContact CG-CG2 3.57Å; L128-I333 HydrophobicContact CD2-CD1 4.16Å; L131-I333 HydrophobicContact CD2-CG1 4.22Å; I172-I333 HydrophobicContact CD1-CD1 4.23Å; Q175-I333 HydrophobicContact CG-CD1 4.48Å; R331-I333 PolarHBondContact O-N 3.26Å; I333-T335 PolarHBondContact O-N 3.21Å
334	P	76.3	Confident	72.6	Confident	106 Å²	106	78 Å²	78	69%	0.688	48%	0.476	S	S	*	.			trans	-62.8	129.9	172.8	-18.9	30.8	0	0	0	111
335	T	80.2	Confident	69.8	Low	60 Å²	60	77.5 Å²	77.5	37%	0.368	50%	0.499	S	S	.	.			trans	-120.7	137.5	174.9	66.3	0	0	0	0	111.4	I333 V337 G338	I333-T335 PolarHBondContact O-N 3.21Å; T335-V337 PolarHBondContact O-N 3.23Å; T335-V337 VanDerWaalsContact O-N 3.14Å; T335-G338 PolarHBondContact O-N 3.28Å; T335-G338 VanDerWaalsContact O-N 3.16Å; T335-G338 PolarHBondContact OG1-O 3.06Å
336	P	75.3	Confident	66.9	Low	47 Å²	47	79.4 Å²	79.4	31%	0.305	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.5	178.9	22.8	-30.4	0	0	0	112.7	K48 I50 G338	K48-P336 WeakPolarHBondContact CE-O 3.4Å; K48-P336 PolarHBondContact NZ-O 2.94Å; I50-P336 HydrophobicContact CB-CB 4.41Å; I50-P336 HydrophobicContact CG2-CB 3.73Å; P336-G338 VanDerWaalsContact C-N 3.34Å
337	V	75.6	Confident	63.8	Low	31 Å²	31	84.9 Å²	84.9	19%	0.188	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	-8.8	-179.4	-173.2	0	0	0	0	112.1	L60 Y69 L120 T335 V340	L60-V337 HydrophobicContact CD1-CG2 4.27Å; L60-V337 HydrophobicContact CD2-CG2 4.47Å; Y69-V337 HydrophobicContact CD1-CG2 4.36Å; Y69-V337 HydrophobicContact CD2-CG1 3.74Å; Y69-V337 HydrophobicContact CD2-CG2 3.95Å; Y69-V337 HydrophobicContact CE1-CG1 4.34Å; Y69-V337 HydrophobicContact CE2-CB 4.45Å; Y69-V337 HydrophobicContact CE2-CG1 3.27Å; Y69-V337 HydrophobicContact CE2-CG2 4.28Å; Y69-V337 HydrophobicContact CG-CG1 4.44Å; Y69-V337 HydrophobicContact CG-CG2 3.99Å; L120-V337 HydrophobicContact CD2-CG2 4.05Å; T335-V337 PolarHBondContact O-N 3.23Å; T335-V337 VanDerWaalsContact O-N 3.14Å; V337-V340 HydrophobicContact CG1-CG2 3.89Å
338	G	62.9	Low	60.7	Low	34 Å²	34	87.4 Å²	87.4	35%	0.351	58%	0.58	S	S	.	*			trans	77.6	166.2	-170	0	0	0	0	0	111.4	T335 P336 V340	T335-G338 PolarHBondContact O-N 3.28Å; T335-G338 VanDerWaalsContact O-N 3.16Å; T335-G338 PolarHBondContact OG1-O 3.06Å; P336-G338 VanDerWaalsContact C-N 3.34Å; G338-V340 VanDerWaalsContact C-N 3.3Å; G338-V340 WeakPolarHBondContact O-CG2 3.43Å; G338-V340 PolarHBondContact O-N 2.87Å
339	S	48.4	Very low	57.8	Low	118 Å²	118	94.3 Å²	94.3	83%	0.825	62%	0.616	S	S	*	*			trans	-65.8	90.1	174.3	52.4	0	0	0	0	109.4	H341	S339-H341 PolarHBondContact O-N 2.87Å
340	V	41.4	Very low	55.1	Low	101 Å²	101	96 Å²	96	61%	0.612	63%	0.627	S	S	*	*			trans	-72.1	107.9	167.1	-131.9	0	0	0	0	105.4	V337 G338 V342	V337-V340 HydrophobicContact CG1-CG2 3.89Å; G338-V340 VanDerWaalsContact C-N 3.3Å; G338-V340 WeakPolarHBondContact O-CG2 3.43Å; G338-V340 PolarHBondContact O-N 2.87Å; V340-V342 VanDerWaalsContact C-N 3.35Å; V340-V342 PolarHBondContact O-N 2.94Å
341	H	30.7	Very low	52.4	Low	166 Å²	166	103.5 Å²	103.5	77%	0.769	63%	0.629	S	S	*	*			trans	-55.6	108.3	161.4	-96.2	-70.1	0	0	0	106.2	S339 D343	S339-H341 PolarHBondContact O-N 2.87Å; H341-D343 PolarHBondContact O-N 2.72Å
342	V	34.3	Very low	49.4	Very low	122 Å²	122	107.7 Å²	107.7	74%	0.739	65%	0.653	S	S	*	*			trans	-71.2	96.9	160.6	-171.7	0	0	0	0	103.1	V340 S344	V340-V342 VanDerWaalsContact C-N 3.35Å; V340-V342 PolarHBondContact O-N 2.94Å; V342-S344 PolarHBondContact O-N 2.8Å
343	D	31.5	Very low	46.6	Very low	148 Å²	148	107 Å²	107	79%	0.791	65%	0.65	S	S	*	*			trans	-62	90.9	164.4	-86.2	-21.2	0	0	0	106	H341 G345	H341-D343 PolarHBondContact O-N 2.72Å; D343-G345 PolarHBondContact O-N 3.46Å
344	S	35.4	Very low	44.1	Very low	104 Å²	104	115 Å²	115	73%	0.727	69%	0.687	S	S	*	*			trans	-61.3	97.8	160.7	-72.8	0	0	0	0	105.7	V342 A346	V342-S344 PolarHBondContact O-N 2.8Å; S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 3.37Å
345	G	37.5	Very low	41.9	Very low	82 Å²	82	115.6 Å²	115.6	85%	0.845	69%	0.689	S	S	*	*			trans	-57.5	95.2	173.6	0	0	0	0	0	110.1	D343	D343-G345 PolarHBondContact O-N 3.46Å
346	A	36.2	Very low	39.7	Very low	83 Å²	83	120.3 Å²	120.3	69%	0.686	71%	0.706	S	S	*	*			trans	-154.1	117.5	161.3	0	0	0	0	0	108	S344	S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 3.37Å
347	S	33.1	Very low	37.5	Very low	124 Å²	124	127.9 Å²	127.9	87%	0.867	73%	0.729	S	S	*	*			trans	103.9	61.2	173.7	-41.5	0	0	0	0	115.8
348	A	33.3	Very low	35.4	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	76%	0.757	S	S	*	*			trans	-81.9	156.1	136.9	0	0	0	0	0	108
349	I	34.6	Very low	33.8	Very low	156 Å²	156	142.2 Å²	142.2	80%	0.8	78%	0.78	S	S	*	*			trans	90.2	100.8	-169.6	-46.5	155.8	0	0	0	109.4
350	T	35.4	Very low	33.3	Very low	126 Å²	126	141.8 Å²	141.8	77%	0.773	77%	0.774	S	S	*	*			cis	-169.5	158.4	43.4	7.2	0	0	0	0	110.7
351	R	31	Very low	32.8	Very low	243 Å²	243	141 Å²	141	92%	0.917	77%	0.773	S	S	*	*			trans	112	122.4	147.3	-86.2	176.5	165.2	171.6	-3.6	118.9
352	E	30	Very low	32.9	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	77%	0.772	S	S	*	*			trans	-76.2	148.9	-168.9	-70.6	164.2	144	0	0	113.7
353	S	30.2	Very low	32.7	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	77%	0.772	S	S	*	*			trans	6.6	127.5	144.4	21.1	0	0	0	0	119.7
354	H	31.9	Very low	32.5	Very low	194 Å²	194	144.2 Å²	144.2	90%	0.898	78%	0.776	S	S	*	*				-152.7	142.7	128	-90.9	-59.3	0	0	0	112.3
355	T	31.7	Very low	33.5	Very low	119 Å²	119	144 Å²	144	73%	0.73	77%	0.772	S	S	*	*			trans	-87	163.2	-176.8	45.6	0	0	0	0	113.5
356	H	32.5	Very low	33	Very low	158 Å²	158	148 Å²	148	73%	0.731	77%	0.773	S	S	*	*			trans	92.8	120.5	155.3	-91.6	-81	0	0	0	121.1
357	R	30.6	Very low	32.7	Very low	207 Å²	207	154.1 Å²	154.1	78%	0.781	78%	0.778	S	S	*	*			trans	45.1	134.4	132	-96.8	-174.3	169.9	159.8	-3.8	118.6
358	D	30.2	Very low	32.5	Very low	143 Å²	143	153.6 Å²	153.6	77%	0.765	77%	0.766	S	S	*	*			cis	-162.9	161.8	50	-93	-45.8	0	0	0	112.6
359	R	30.7	Very low	32.4	Very low	223 Å²	223	156.5 Å²	156.5	84%	0.842	76%	0.764	S	S	*	*			trans	-115	143.6	167.2	-161.5	-167.9	-173.9	-171.5	3.3	106.5
360	P	37.3	Very low	32.2	Very low	109 Å²	109	155.8 Å²	155.8	71%	0.708	76%	0.762	S	S	*	*				-143.6	139.1	103.1	14.5	9.3	0	0	0	112.8
361	S	31.2	Very low	31.9	Very low	85 Å²	85	154.9 Å²	154.9	59%	0.594	76%	0.757	S	S	*	*				49.3	134.1	92.9	67.7	0	0	0	0	114.2
362	Q	33	Very low	31.9	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	75%	0.747	S	S	*	*			cis	-177.1	163.5	34.7	-127.6	169.4	21.4	0	0	110.1
363	Q	28.4	Very low	32.1	Very low	158 Å²	158	144 Å²	144	74%	0.738	74%	0.738	S	S	*	*			trans	71.3	105.8	146.9	-75.5	168.5	5.9	0	0	124.6
364	Q	28.6	Very low	32.2	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	74%	0.738	S	S	*	*				57.5	158.8	98.5	-97.1	-161.9	11.2	0	0	122.9
365	P	55.2	Low	32.2	Very low	101 Å²	101	146.6 Å²	146.6	66%	0.656	73%	0.731	S	S	*	*				-128.2	-177.1	-116	41.6	-23.5	0	0	0	114.7
366	L	28.4	Very low	32.1	Very low	164 Å²	164	152.8 Å²	152.8	86%	0.859	74%	0.741	S	S	*	*			trans	179.8	114.5	151.4	-91.2	138.8	0	0	0	108.8
367	R	28.9	Very low	31.9	Very low	212 Å²	212	148.4 Å²	148.4	80%	0.8	74%	0.738	S	S	*	*				56	111.3	94	-166.4	176.9	-173.8	176.6	5.9	115.2
368	N	29.6	Very low	31.7	Very low	113 Å²	113	145.9 Å²	145.9	60%	0.604	74%	0.736	S	S	*	*				165.9	133.3	95.1	-134.1	23.6	0	0	0	112.9
369	Q	31.2	Very low	31.7	Very low	150 Å²	150	149.4 Å²	149.4	70%	0.701	74%	0.738	S	S	*	*			trans	41.5	153.3	139.2	-72.2	-175.4	9.2	0	0	125.7
370	N	29.2	Very low	31.4	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	73%	0.731	S	S	*	*			trans	89.1	137.7	149.7	-90.2	10.2	0	0	0	116.2
371	T	30.9	Very low	31	Very low	108 Å²	108	149 Å²	149	66%	0.663	74%	0.74	S	S	*	*			cis	-162.3	164.1	25.5	44.4	0	0	0	0	112.5
372	S	31.3	Very low	30.7	Very low	102 Å²	102	152.1 Å²	152.1	71%	0.713	75%	0.746	S	S	*	*			trans	62.3	143.4	133.7	61.7	0	0	0	0	120.6
373	S	32.3	Very low	31.2	Very low	94 Å²	94	149.4 Å²	149.4	66%	0.657	74%	0.741	S	S	*	*			cis	178.4	145.2	8.7	39.2	0	0	0	0	109.4
374	E	32.8	Very low	31.1	Very low	148 Å²	148	147.1 Å²	147.1	69%	0.692	74%	0.743	S	S	*	*			trans	51.2	145.8	132.5	-62.1	-165.5	137.2	0	0	120.7
375	R	32.3	Very low	31.1	Very low	199 Å²	199	147.9 Å²	147.9	75%	0.751	74%	0.738	S	S	*	*			cis	-177.8	174.4	7.3	-116.7	-177.6	-155.3	-149.7	11.4	109.4
376	R	29.3	Very low	29.7	Very low	249 Å²	249	150.2 Å²	150.2	94%	0.94	74%	0.74	S	S	*	*			trans	85	131.8	161.5	-67	-174.3	176.7	-167.1	-2.5	116.6
377	G	28.4	Very low	29.6	Very low	66 Å²	66	147.8 Å²	147.8	68%	0.68	73%	0.732	S	S	*	*			cis	159.2	122.2	2.5	0	0	0	0	0	107.6
378	E	27	Very low	29.4	Very low	155 Å²	155	144.4 Å²	144.4	72%	0.724	73%	0.73	S	S	*	*				74	119.3	113.3	-126.6	175.6	-151	0	0	113.1
379	W	29.2	Very low	29.3	Very low	216 Å²	216	144.4 Å²	144.4	82%	0.818	73%	0.734	S	S	*	*				-166.3	163.2	64.6	-85.3	89.6	0	0	0	112.9
380	E	25.3	Very low	28.9	Very low	146 Å²	146	141.5 Å²	141.5	68%	0.682	73%	0.73	S	S	*	*			trans	-106.8	143.3	-165.3	177.9	174.6	-153.7	0	0	112.1
381	I	29.2	Very low	28.7	Very low	177 Å²	177	146.3 Å²	146.3	91%	0.908	74%	0.74	S	S	*	*			trans	-143.2	119.5	152.1	-60.8	-174.4	0	0	0	109.6
382	Q	24.1	Very low	28.5	Very low	152 Å²	152	149.1 Å²	149.1	71%	0.71	75%	0.75	S	S	*	*			trans	-99.6	-173.6	172.1	-121.2	-176.5	22.4	0	0	109.4
383	P	43.5	Very low	28.1	Very low	100 Å²	100	150.1 Å²	150.1	65%	0.649	75%	0.752	S	S	*	*			cis	-141.7	179	-11	30.9	-7.5	0	0	0	116.8
384	S	27	Very low	27.7	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	76%	0.759	S	S	*	*			trans	84.5	138.4	147.9	81.3	0	0	0	0	118.8
385	R	27.3	Very low	27.3	Very low	203 Å²	203	152 Å²	152	77%	0.766	76%	0.763	S	S	*	*			cis	-168	146.1	-3.7	-124.3	-176.7	175.7	-176.5	0.9	108.7
386	Q	26.1	Very low	26.9	Very low	150 Å²	150	150.8 Å²	150.8	70%	0.701	77%	0.77	S	S	*	*			trans	67.5	131.1	142.2	-77.5	170.1	-13.3	0	0	118.7
387	T	26.8	Very low	26.7	Very low	113 Å²	113	143.9 Å²	143.9	69%	0.693	77%	0.766	S	S	*	*			cis	-161.4	147.3	26.4	40.2	0	0	0	0	111.9
388	N	24.6	Very low	26.6	Very low	141 Å²	141	145.1 Å²	145.1	75%	0.754	77%	0.77	S	S	*	*			trans	49.3	137.7	138.4	-65.4	-3.4	0	0	0	120.9
389	T	26.7	Very low	26.4	Very low	113 Å²	113	145 Å²	145	69%	0.693	77%	0.774	S	S	*	*			cis	-173.6	116.7	18	11.2	0	0	0	0	106.3
390	S	24.3	Very low	26.3	Very low	88 Å²	88	146.6 Å²	146.6	62%	0.615	78%	0.78	S	S	*	*				58.2	109.7	103.1	72.7	0	0	0	0	118
391	Y	25.4	Very low	26.2	Very low	243 Å²	243	148.5 Å²	148.5	95%	0.953	79%	0.788	S	S	*	*			trans	-136.9	116.9	136.5	-87.2	-76.8	0	0	0	109.2
392	L	24.8	Very low	26.2	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	79%	0.787	S	S	*	*			trans	-91.1	133.1	179.4	-85.7	161.5	0	0	0	110.3
393	T	23.5	Very low	26.1	Very low	123 Å²	123	140.1 Å²	140.1	76%	0.755	79%	0.787	S	S	*	*			trans	-67.8	135.7	158.3	-35.9	0	0	0	0	109.9
394	S	24.9	Very low	25.2	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	79%	0.792	S	S	*	*			trans	-153.8	123.2	147.4	53.4	0	0	0	0	111.6
395	H	23.3	Very low	25	Very low	167 Å²	167	141.6 Å²	141.6	77%	0.773	79%	0.793	S	S	*	*			trans	-68.2	147.8	160.7	-75.7	-93	0	0	0	110.4
396	L	24.8	Very low	24.8	Very low	173 Å²	173	140.2 Å²	140.2	91%	0.906	80%	0.795	S	S	*	*				165.3	119.2	116.2	-86	169.7	0	0	0	110.7
397	A	24.8	Very low	24.7	Very low	103 Å²	103	139.2 Å²	139.2	85%	0.851	80%	0.799	S	S	*	*				175	107.2	123	0	0	0	0	0	109.6
398	A	25.9	Very low	24.5	Very low	92 Å²	92	139.4 Å²	139.4	76%	0.76	80%	0.8	S	S	*	*			trans	-80	140	157.1	0	0	0	0	0	108.8
399	D	23.2	Very low	24.6	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	79%	0.788	S	S	*	*			trans	136.7	96.3	149.2	-82.2	-20	0	0	0	112.2
400	R	25.8	Very low	24.7	Very low	250 Å²	250	133.9 Å²	133.9	94%	0.943	78%	0.777	S	S	*	*			trans	-161.1	133.5	136.8	-108	168.6	-168.2	-160.5	3.8	110.5
401	H	24.2	Very low	25.3	Very low	187 Å²	187	131 Å²	131	87%	0.866	76%	0.756	S	S	*	*			trans	-53	146.4	-177	-71.2	22.3	0	0	0	114.6
402	G	28.3	Very low	25.5	Very low	86 Å²	86	126.3 Å²	126.3	89%	0.887	75%	0.747	S	S	*	*			trans	52.1	95.9	141.1	0	0	0	0	0	117.6
403	G	22.4	Very low	25.9	Very low	67 Å²	67	120.4 Å²	120.4	69%	0.691	73%	0.727	S	S	*	*			trans	-160.3	111.2	167.6	0	0	0	0	0	110.7	V405	G403-V405 PolarHBondContact O-N 2.84Å
404	S	25.1	Very low	26.1	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	73%	0.728	S	S	*	*			trans	-57.7	122	170.3	63.1	0	0	0	0	108.9	Q406	S404-Q406 PolarHBondContact O-N 2.72Å
405	V	22.8	Very low	26.6	Very low	131 Å²	131	121.6 Å²	121.6	79%	0.794	71%	0.713	S	S	*	*			trans	-68.1	102.6	169	179.9	0	0	0	0	106.8	G403 V407	G403-V405 PolarHBondContact O-N 2.84Å; V405-V407 HydrophobicContact CG1-CG2 4.49Å; V405-V407 PolarHBondContact O-N 2.83Å; V405-V407 VanDerWaalsContact O-N 3.09Å
406	Q	22.6	Very low	26.9	Very low	174 Å²	174	120.5 Å²	120.5	81%	0.813	71%	0.713	S	S	*	*			trans	-68.3	103	170.4	-79.5	-160.7	-29.9	0	0	108.5	S404	S404-Q406 PolarHBondContact O-N 2.72Å
407	V	24.5	Very low	27.4	Very low	129 Å²	129	118.2 Å²	118.2	78%	0.782	71%	0.707	S	S	*	*			trans	-78.9	117.1	165.2	-168.4	0	0	0	0	107.1	V405 S409	V405-V407 HydrophobicContact CG1-CG2 4.49Å; V405-V407 PolarHBondContact O-N 2.83Å; V405-V407 VanDerWaalsContact O-N 3.09Å; V407-S409 PolarHBondContact O-N 3.19Å; V407-S409 VanDerWaalsContact O-N 3.09Å
408	V	22.3	Very low	27.6	Very low	117 Å²	117	121 Å²	121	71%	0.709	71%	0.707	S	S	*	*			trans	-74.3	99.7	-177.3	-161.3	0	0	0	0	108.7	S410	V408-S410 PolarHBondContact O-N 3.06Å; V408-S410 PolarHBondContact O-OG 2.94Å
409	S	26.4	Very low	27.9	Very low	72 Å²	72	122.4 Å²	122.4	50%	0.503	70%	0.702	S	S	.	*			trans	-57.3	118.6	170.7	-173.6	0	0	0	0	109.5	V407 T411	V407-S409 PolarHBondContact O-N 3.19Å; V407-S409 VanDerWaalsContact O-N 3.09Å; S409-T411 VanDerWaalsContact C-N 3.28Å; S409-T411 PolarHBondContact O-N 2.78Å; S409-T411 PolarHBondContact OG-OG1 2.98Å; S409-T411 VanDerWaalsContact OG-OG1 3.13Å
410	S	29.3	Very low	28.2	Very low	66 Å²	66	121.3 Å²	121.3	46%	0.462	70%	0.703	S	S	.	*	S	Bend	trans	-89.7	27.7	-172.1	-66.5	0	0	0	0	113.8	V408	V408-S410 PolarHBondContact O-N 3.06Å; V408-S410 PolarHBondContact O-OG 2.94Å
411	T	36.6	Very low	28.7	Very low	29 Å²	29	115 Å²	115	18%	0.178	69%	0.693	C	S	.	*			trans	-101.9	15.1	178.5	41	0	0	0	0	113.8	N54 S409 G413	N54-T411 PolarHBondContact ND2-OG1 2.91Å; N54-T411 WeakPolarHBondContact OD1-CB 3.47Å; N54-T411 PolarHBondContact OD1-OG1 2.83Å; S409-T411 VanDerWaalsContact C-N 3.28Å; S409-T411 PolarHBondContact O-N 2.78Å; S409-T411 PolarHBondContact OG-OG1 2.98Å; S409-T411 VanDerWaalsContact OG-OG1 3.13Å; T411-G413 PolarHBondContact O-N 2.94Å
412	N	30	Very low	29	Very low	144 Å²	144	109.3 Å²	109.3	77%	0.77	68%	0.684	S	S	*	*			trans	-71.1	51.7	173.5	-72	-2.1	0	0	0	113
413	G	32	Very low	29	Very low	43 Å²	43	109.9 Å²	109.9	44%	0.443	68%	0.681	S	S	.	*			trans	-96.1	112.2	169	0	0	0	0	0	109.5	T411 L415	T411-G413 PolarHBondContact O-N 2.94Å; G413-L415 PolarHBondContact O-N 2.67Å
414	E	29.6	Very low	29.4	Very low	168 Å²	168	115.3 Å²	115.3	79%	0.785	69%	0.688	S	S	*	*			trans	-55.1	127.5	164	-69.4	-178	138.4	0	0	108.9	N416	E414-N416 PolarHBondContact O-N 2.83Å
415	L	34.7	Very low	29.6	Very low	94 Å²	94	115.8 Å²	115.8	49%	0.492	69%	0.691	S	S	.	*			trans	-66.2	102.6	167	-69.5	166.3	0	0	0	106.7	A81 G413 V417	A81-L415 HydrophobicContact CB-CD1 4.19Å; G413-L415 PolarHBondContact O-N 2.67Å; L415-V417 PolarHBondContact O-N 2.81Å
416	N	29.4	Very low	30	Very low	144 Å²	144	117.4 Å²	117.4	77%	0.77	70%	0.695	S	S	*	*			trans	-60.3	109.9	166.8	-96	-0.1	0	0	0	108.1	E414	E414-N416 PolarHBondContact O-N 2.83Å
417	V	35	Very low	30.2	Very low	126 Å²	126	113.6 Å²	113.6	76%	0.764	69%	0.693	S	S	*	*			trans	-96.2	92.5	169.3	-174.7	0	0	0	0	106.4	L415	L415-V417 PolarHBondContact O-N 2.81Å
418	D	28.8	Very low	30.5	Very low	160 Å²	160	113.2 Å²	113.2	86%	0.856	69%	0.693	S	S	*	*			trans	-145.6	84.4	160.4	-84.6	-40.6	0	0	0	107.7
419	D	31.8	Very low	30.8	Very low	122 Å²	122	115.6 Å²	115.6	65%	0.652	70%	0.7	S	S	*	*			trans	-136.5	112.6	160.4	-173.8	-5.9	0	0	0	107.8	T421	D419-T421 PolarHBondContact O-N 3.02Å; D419-T421 PolarHBondContact OD1-OG1 3.35Å
420	P	31.5	Very low	31	Very low	129 Å²	129	118.8 Å²	118.8	84%	0.838	72%	0.717	S	S	*	*			trans	-86.5	58.5	-177.4	37	-33.5	0	0	0	110.3
421	T	34.7	Very low	31.1	Very low	119 Å²	119	120.3 Å²	120.3	73%	0.73	73%	0.733	S	S	*	*			trans	-143.8	53.9	171	54	0	0	0	0	112.4	D419	D419-T421 PolarHBondContact O-N 3.02Å; D419-T421 PolarHBondContact OD1-OG1 3.35Å
422	G	30.5	Very low	30.8	Very low	66 Å²	66	128.3 Å²	128.3	68%	0.68	77%	0.768	S	S	*	*			trans	-122.7	91.7	169.1	0	0	0	0	0	110.7	H424	G422-H424 PolarHBondContact O-N 2.9Å
423	A	30.1	Very low	30.8	Very low	99 Å²	99	126 Å²	126	82%	0.818	77%	0.77	S	S	*	*			trans	-61.9	128.9	178.9	0	0	0	0	0	111.7
424	H	29.6	Very low	30.7	Very low	181 Å²	181	133.4 Å²	133.4	84%	0.838	79%	0.792	S	S	*	*			trans	-58.1	129.9	171.7	-64.9	-74.5	0	0	0	111.6	G422	G422-H424 PolarHBondContact O-N 2.9Å
425	S	29.8	Very low	30.7	Very low	119 Å²	119	132.1 Å²	132.1	83%	0.832	80%	0.796	S	S	*	*			trans	-123.4	99	163.4	-62.7	0	0	0	0	108.4
426	N	30.7	Very low	30.2	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	81%	0.814	S	S	*	*			trans	-90.2	121.1	167.5	-81.9	-22.3	0	0	0	108.2
427	A	27.6	Very low	30.3	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	82%	0.817	S	S	*	*			trans	-132.4	127	161	0	0	0	0	0	108.6
428	P	31	Very low	29.9	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	82%	0.82	S	S	*	*			trans	-85.2	155.8	-176.8	33.7	-32.9	0	0	0	112.6
429	I	28.6	Very low	29.8	Very low	167 Å²	167	136.7 Å²	136.7	86%	0.856	82%	0.815	S	S	*	*			trans	-77.4	126.8	174.1	-63	164.1	0	0	0	109.2
430	T	30.6	Very low	29.7	Very low	139 Å²	139	139.1 Å²	139.1	85%	0.853	82%	0.822	S	S	*	*			trans	-145.9	151.7	157.5	30.5	0	0	0	0	111.4
431	A	30.6	Very low	29.4	Very low	98 Å²	98	136.6 Å²	136.6	81%	0.81	81%	0.813	S	S	*	*			trans	-72.8	168	-157.8	0	0	0	0	0	117
432	H	31.1	Very low	29	Very low	197 Å²	197	140.4 Å²	140.4	91%	0.912	82%	0.819	S	S	*	*			trans	-53.9	139	172.7	-71.5	-92.2	0	0	0	113.9
433	A	29.2	Very low	28.7	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	82%	0.821	S	S	*	*			trans	-147.5	135.9	151.6	0	0	0	0	0	109.2
434	E	29.2	Very low	28.4	Very low	198 Å²	198	142.5 Å²	142.5	93%	0.925	82%	0.815	S	S	*	*			trans	-63.1	144.6	179.3	-62.8	168	149.3	0	0	111.8
435	V	29.8	Very low	28.2	Very low	141 Å²	141	139.3 Å²	139.3	86%	0.855	81%	0.812	S	S	*	*			trans	-141.1	121.7	163.8	-176	0	0	0	0	110.4
436	E	25.8	Very low	28	Very low	186 Å²	186	142.4 Å²	142.4	87%	0.869	81%	0.81	S	S	*	*			trans	-57	151.4	168.7	-85	172.8	130.1	0	0	113.8
437	V	29.7	Very low	28	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	81%	0.813	S	S	*	*			trans	-80.7	124.4	169.7	175.9	0	0	0	0	109.4
438	V	28.2	Very low	28.2	Very low	138 Å²	138	148.6 Å²	148.6	84%	0.836	81%	0.812	S	S	*	*			trans	-151.6	144.2	143.6	-178	0	0	0	0	111.2
439	E	26.4	Very low	28.3	Very low	160 Å²	160	153.6 Å²	153.6	75%	0.748	82%	0.816	S	S	*	*			trans	-56.1	163.3	-177.1	-81.7	171.6	143.9	0	0	121.2
440	E	28.7	Very low	28.5	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.804	81%	0.813	S	S	*	*			trans	90.9	120.1	135.1	-90.4	-171.8	168.8	0	0	123.5
441	A	25.4	Very low	28.9	Very low	77 Å²	77	158.9 Å²	158.9	64%	0.636	81%	0.814	S	S	*	*				94.2	116	123.4	0	0	0	0	0	121.9
442	K	26.7	Very low	29.1	Very low	199 Å²	199	164.1 Å²	164.1	87%	0.865	82%	0.819	S	S	*	*				75.9	110.8	129.1	-71	175.7	-179.4	168.8	0	120.6
443	C	23.1	Very low	29.6	Very low	107 Å²	107	163.5 Å²	163.5	72%	0.723	81%	0.813	S	S	*	*				38.4	123.3	120	-161.9	0	0	0	0	119.6
444	C	24.1	Very low	29.9	Very low	101 Å²	101	165.4 Å²	165.4	68%	0.682	82%	0.816	S	S	*	*				159.7	155	91.4	-81.6	0	0	0	0	112.7
445	C	27	Very low	30.2	Very low	115 Å²	115	160.4 Å²	160.4	78%	0.777	81%	0.808	S	S	*	*			trans	87.2	101.7	152.7	-60.6	0	0	0	0	121.8
446	F	25.2	Very low	30.8	Very low	183 Å²	183	162.8 Å²	162.8	80%	0.803	81%	0.809	S	S	*	*				38	124.3	120.7	-83.9	-91.6	0	0	0	120.9
447	F	30	Very low	31.7	Very low	214 Å²	214	165.7 Å²	165.7	94%	0.939	81%	0.813	S	S	*	*				-158.7	127.8	116	-112.6	-80.5	0	0	0	112.1
448	K	31.1	Very low	32.4	Very low	174 Å²	174	167.8 Å²	167.8	76%	0.757	81%	0.813	S	S	*	*			trans	-85	145.5	169	-81.9	177.9	173.7	172.7	0	110.6
449	R	33.1	Very low	33.5	Very low	227 Å²	227	174.4 Å²	174.4	86%	0.857	83%	0.831	S	S	*	*			trans	149.3	144.4	139.3	-90.6	175.4	171.1	-176.5	-0.9	109.1
450	K	33	Very low	33.8	Very low	184 Å²	184	175.2 Å²	175.2	80%	0.8	84%	0.835	S	S	*	*			cis	-166.3	148.9	-4.9	-134.2	179	-177.7	-176	0	106.3
451	R	38.7	Very low	34.1	Very low	232 Å²	232	175.3 Å²	175.3	88%	0.875	84%	0.836	S	S	*	*			trans	-54.9	151	167.8	-83.7	172.5	156.7	173.6	-4.5	113.3
452	K	36	Very low	34.6	Very low	209 Å²	209	180.8 Å²	180.8	91%	0.909	85%	0.847	S	S	*	*			trans	-140	124.4	141.9	-140.4	176.1	-175.9	-178.2	0	110.5
453	K	41.6	Very low	35.1	Very low	183 Å²	183	179.7 Å²	179.7	80%	0.796	85%	0.846	S	S	*	*			trans	-103.8	140.7	172.1	-113.9	-172.6	178	-174	0	107
454	T	35.5	Very low	35.8	Very low	137 Å²	137	184.3 Å²	184.3	84%	0.84	85%	0.854	S	S	*	*			trans	173.8	149.9	149	21.4	0	0	0	0	107.5
455	A	35.9	Very low	36.6	Very low	92 Å²	92	189.8 Å²	189.8	76%	0.76	87%	0.865	S	S	*	*			cis	-177.7	150.8	-27.1	0	0	0	0	0	103.9
456	Q	40.9	Very low	37.3	Very low	191 Å²	191	195.1 Å²	195.1	89%	0.893	87%	0.872	S	S	*	*			trans	-56.3	156.5	177.7	-71.9	160.8	-49.5	0	0	113.4
457	R	46.3	Very low	38.2	Very low	248 Å²	248	196.1 Å²	196.1	94%	0.936	88%	0.877	S	S	*	*			trans	-146.7	113.2	150.5	-138.7	173.7	172.9	-173.4	-3.4	110.5
458	H	44.6	Very low	38.9	Very low	180 Å²	180	194.6 Å²	194.6	83%	0.833	87%	0.872	S	S	*	*			trans	-77.3	133.8	156.3	-101.1	-73.3	0	0	0	108.7
459	K	49.9	Very low	39.6	Very low	278 Å²	278	196.5 Å²	196.5	100%	1.209	88%	0.883	S	S	*	*				-161.9	0	124	-109.9	-173.6	179.5	-173.9	0	108.5

Retrieved 459 of 459 residues in 80.3 ms (Link to these results)

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