A0A087Y7B2_POEFO Loading...

Voltage-gated potassium channel subunit beta-2

AlphaFold DB , UniProt , Accession A0A087Y7B2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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	33.4	Very low	31.1	Very low	245 Å²	245	150.4 Å²	150.4	100%	1.207	86%	0.857	S	S	*	*				0	116	0	-147.5	178.9	-78.7	0	0	105.7
2	Y	26.5	Very low	30.8	Very low	229 Å²	229	158.5 Å²	158.5	90%	0.898	86%	0.863	S	S	*	*			trans	-50.2	172.4	-174	-75.6	-85.5	0	0	0	115.5
3	P	39.3	Very low	31	Very low	113 Å²	113	159.5 Å²	159.5	73%	0.734	87%	0.866	S	S	*	*			cis	-135.3	171.4	-25.2	29.1	-8.2	0	0	0	114.4
4	E	37.3	Very low	30.8	Very low	191 Å²	191	155.9 Å²	155.9	89%	0.893	86%	0.859	S	S	*	*			trans	-66.7	139.4	160.4	-70.1	173.6	149	0	0	111.2
5	S	29.1	Very low	30.7	Very low	113 Å²	113	156.9 Å²	156.9	79%	0.79	86%	0.861	S	S	*	*			trans	-114.2	117.8	167.9	63.8	0	0	0	0	110.9
6	T	31.4	Very low	30.8	Very low	137 Å²	137	161.2 Å²	161.2	84%	0.84	86%	0.86	S	S	*	*			trans	-75.9	122.6	169.9	46.1	0	0	0	0	110.2
7	T	29.9	Very low	30.7	Very low	131 Å²	131	163.3 Å²	163.3	80%	0.804	86%	0.864	S	S	*	*			trans	-110.5	93	162.2	55.8	0	0	0	0	109.1	S9	T7-S9 PolarHBondContact O-N 3.33Å
8	D	29.2	Very low	30.8	Very low	168 Å²	168	160.6 Å²	160.6	90%	0.898	86%	0.855	S	S	*	*			trans	-79.2	112.3	162.4	-106	-22.2	0	0	0	108.4
9	S	27.8	Very low	30.9	Very low	107 Å²	107	156.8 Å²	156.8	75%	0.748	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-88.9	132.8	173.9	-156.5	0	0	0	0	109.1	T7 A11	T7-S9 PolarHBondContact O-N 3.33Å; S9-A11 PolarHBondContact O-N 2.7Å
10	P	29.2	Very low	31	Very low	117 Å²	117	153.5 Å²	153.5	76%	0.76	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-66.4	132.6	-179.8	25.1	-30.7	0	0	0	111	R12	P10-R12 PolarHBondContact O-N 3.13Å
11	A	28.8	Very low	31.1	Very low	103 Å²	103	150.1 Å²	150.1	85%	0.851	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-51.2	117.6	-177.9	0	0	0	0	0	112.4	S9	S9-A11 PolarHBondContact O-N 2.7Å
12	R	27.1	Very low	31.2	Very low	248 Å²	248	140.3 Å²	140.3	94%	0.936	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.6	126.1	168.3	-80.8	-176	-179.2	-169.5	0.5	110.2	P10 S14	P10-R12 PolarHBondContact O-N 3.13Å; R12-S14 PolarHBondContact O-N 3.09Å
13	L	33.9	Very low	31.9	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66	121.2	170	-70.8	157.7	0	0	0	109.8	L15	L13-L15 PolarHBondContact O-N 2.97Å
14	S	28.3	Very low	31.9	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	77%	0.774	S	S	*	*			trans	-84.4	108.7	169.7	70.1	0	0	0	0	110.1	R12 R16	R12-S14 PolarHBondContact O-N 3.09Å; S14-R16 PolarHBondContact O-N 2.97Å
15	L	29.9	Very low	32.3	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	75%	0.745	S	S	*	*			trans	-65.2	115.7	163.5	-75.8	147.7	0	0	0	108.7	L13	L13-L15 PolarHBondContact O-N 2.97Å
16	R	30.9	Very low	32.5	Very low	225 Å²	225	127.4 Å²	127.4	85%	0.849	73%	0.728	S	S	*	*			trans	-98	112.7	159.2	-81.2	-168.6	179	-151.2	-0.6	108.2	S14 T18	S14-R16 PolarHBondContact O-N 2.97Å; R16-T18 PolarHBondContact O-N 3.33Å; R16-T18 VanDerWaalsContact O-N 3.13Å
17	Q	30.6	Very low	32.7	Very low	197 Å²	197	124.3 Å²	124.3	92%	0.921	72%	0.716	S	S	*	*			trans	-67.2	103	166	-78.4	178.9	-12.9	0	0	108.7
18	T	32.4	Very low	32.8	Very low	114 Å²	114	129 Å²	129	70%	0.699	72%	0.719	S	S	*	*			trans	-118.2	129.7	155.3	54.8	0	0	0	0	106	R16 S20	R16-T18 PolarHBondContact O-N 3.33Å; R16-T18 VanDerWaalsContact O-N 3.13Å; T18-S20 PolarHBondContact O-N 2.85Å
19	G	31.9	Very low	33.1	Very low	90 Å²	90	130.9 Å²	130.9	93%	0.928	72%	0.715	S	S	*	*	S	Bend	trans	-64.1	53.6	-167.1	0	0	0	0	0	117.1
20	S	32.2	Very low	33.6	Very low	89 Å²	89	129.4 Å²	129.4	62%	0.622	72%	0.716	S	S	*	*	S	Bend	trans	-151.5	126.1	167.6	-74.3	0	0	0	0	108	T18 G22	T18-S20 PolarHBondContact O-N 2.85Å; S20-G22 PolarHBondContact O-N 3.46Å
21	P	34.8	Very low	33.9	Very low	84 Å²	84	127 Å²	127	55%	0.545	70%	0.702	S	S	.	*			trans	-76.5	77.1	-179.5	31.1	-31.5	0	0	0	109.2
22	G	34.7	Very low	34.3	Very low	39 Å²	39	128.8 Å²	128.8	40%	0.402	71%	0.705	S	S	.	*			trans	-125.5	99.5	168.9	0	0	0	0	0	108	S20 I24	S20-G22 PolarHBondContact O-N 3.46Å; G22-I24 PolarHBondContact O-N 3.17Å
23	M	41.1	Very low	35.2	Very low	92 Å²	92	125.1 Å²	125.1	45%	0.453	70%	0.696	S	S	.	*			trans	-61.8	101.6	164.5	-77.8	-171.8	-166.1	0	0	108.1	Y25 N79	M23-Y25 HydrophobicContact CB-CD2 4.14Å; M23-Y25 HydrophobicContact CB-CE2 3.78Å; M23-Y25 PolarHBondContact O-N 2.92Å; M23-Y25 VanDerWaalsContact O-N 3.11Å; M23-Y25 HydrophobicContact SD-CE2 4.08Å; M23-Y25 PolarHBondContact SD-OH 3.41Å; M23-Y25 VanDerWaalsContact SD-OH 3.34Å; M23-N79 WeakPolarHBondContact CE-OD1 3.41Å
24	I	39.7	Very low	36.1	Very low	147 Å²	147	126.4 Å²	126.4	75%	0.754	69%	0.689	S	S	*	*			trans	-76.4	96.5	166	-58.4	177.6	0	0	0	106.3	G22 S26	G22-I24 PolarHBondContact O-N 3.17Å; I24-S26 PolarHBondContact O-N 2.81Å
25	Y	44.4	Very low	37.5	Very low	75 Å²	75	127.9 Å²	127.9	29%	0.294	68%	0.684	S	S	.	*			trans	-68.6	78.8	164.9	-68.3	-85.9	0	0	0	108.8	M23 A27 F38 I337 Q338	M23-Y25 HydrophobicContact CB-CD2 4.14Å; M23-Y25 HydrophobicContact CB-CE2 3.78Å; M23-Y25 PolarHBondContact O-N 2.92Å; M23-Y25 VanDerWaalsContact O-N 3.11Å; M23-Y25 HydrophobicContact SD-CE2 4.08Å; M23-Y25 PolarHBondContact SD-OH 3.41Å; M23-Y25 VanDerWaalsContact SD-OH 3.34Å; Y25-A27 PolarHBondContact O-N 3.04Å; Y25-F38 HydrophobicContact CD2-CD2 4.13Å; Y25-F38 HydrophobicContact CE2-CD2 4.13Å; Y25-F38 HydrophobicContact CE2-CE2 4.22Å; Y25-I337 HydrophobicContact CD1-CG2 4.34Å; Y25-I337 HydrophobicContact CD2-CG2 4.24Å; Y25-I337 HydrophobicContact CE1-CG2 4.44Å; Y25-I337 HydrophobicContact CE2-CG2 4.36Å; Y25-I337 HydrophobicContact CG-CG2 4.23Å; Y25-Q338 VanDerWaalsContact CE1-NE2 3.32Å
26	S	34.9	Very low	39.5	Very low	60 Å²	60	121.7 Å²	121.7	42%	0.42	65%	0.651	S	S	.	*			trans	-90.4	91.9	169.4	77.3	0	0	0	0	109.5	I24 R28	I24-S26 PolarHBondContact O-N 2.81Å; S26-R28 PolarHBondContact O-N 2.99Å
27	A	35.5	Very low	42.1	Very low	72 Å²	72	116.7 Å²	116.7	60%	0.595	64%	0.638	S	S	*	*			trans	-75.5	99.6	160.6	0	0	0	0	0	107.7	Y25 Y29	Y25-A27 PolarHBondContact O-N 3.04Å; A27-Y29 PolarHBondContact O-N 2.8Å
28	R	31.1	Very low	45.1	Very low	229 Å²	229	108.2 Å²	108.2	86%	0.864	60%	0.598	S	S	*	*			trans	-81.5	100.7	168.4	-85	-169.1	-88.3	-153.8	-4.5	108.4	S26	S26-R28 PolarHBondContact O-N 2.99Å
29	Y	36.8	Very low	48.2	Very low	209 Å²	209	106.1 Å²	106.1	82%	0.82	58%	0.578	S	S	*	*			trans	-125.2	132.4	160.6	-81.4	-82.6	0	0	0	108.4	A27	A27-Y29 PolarHBondContact O-N 2.8Å
30	G	36.3	Very low	51.3	Low	75 Å²	75	103.5 Å²	103.5	77%	0.773	54%	0.54	S	S	*	.	S	Bend	trans	-56.5	153.7	179.2	0	0	0	0	0	112.9
31	S	36	Very low	54.4	Low	66 Å²	66	102.2 Å²	102.2	46%	0.462	53%	0.526	S	S	.	.	S	Bend	trans	86.2	141.5	-162.3	75.4	0	0	0	0	114.3	K33	S31-K33 PolarHBondContact O-N 3.48Å; S31-K33 WeakPolarHBondContact OG-CD 3.39Å; S31-K33 WeakPolarHBondContact OG-CE 3.32Å; S31-K33 WeakPolarHBondContact OG-CG 3.38Å
32	P	38.5	Very low	57.5	Low	141 Å²	141	98.2 Å²	98.2	92%	0.916	50%	0.5	S	S	*	.			trans	-73.9	67.7	-179.6	32.3	-33.9	0	0	0	109.8
33	K	45.8	Very low	60.5	Low	172 Å²	172	96.7 Å²	96.7	75%	0.748	48%	0.484	S	S	*	.			trans	-89.9	129	174.5	-77.5	177	-178.5	179.9	0	108.4	S31 Q35	S31-K33 PolarHBondContact O-N 3.48Å; S31-K33 WeakPolarHBondContact OG-CD 3.39Å; S31-K33 WeakPolarHBondContact OG-CE 3.32Å; S31-K33 WeakPolarHBondContact OG-CG 3.38Å; K33-Q35 PolarHBondContact O-N 3.02Å
34	R	53	Low	63.2	Low	199 Å²	199	98.5 Å²	98.5	75%	0.751	49%	0.49	S	S	*	.			trans	-35.6	108.4	-177.2	-70.1	174.7	-179.9	-156	7.9	111.8	L36 E315	R34-L36 PolarHBondContact O-N 3.27Å; R34-E315 VanDerWaalsContact CD-OE1 3.31Å; R34-E315 WeakPolarHBondContact CD-OE1 3.45Å; R34-E315 IonicContact CZ-OE1 2.71Å; R34-E315 IonicContact NE-OE1 2.62Å; R34-E315 VanDerWaalsContact NH1-CD 3.28Å; R34-E315 IonicContact NH1-OE1 2.78Å; R34-E315 PolarHBondContact NH1-OE1 3.22Å; R34-E315 IonicContact NH1-OE2 3.54Å
35	Q	57.4	Low	66.1	Low	139 Å²	139	92.3 Å²	92.3	65%	0.65	46%	0.459	S	S	*	.			trans	-72.8	125.1	176.2	-168.6	174.2	17.5	0	0	108.8	K33 Q37	K33-Q35 PolarHBondContact O-N 3.02Å; Q35-Q37 PolarHBondContact O-N 2.85Å; Q35-Q37 VanDerWaalsContact O-N 3.09Å
36	L	71.8	Confident	68.6	Low	41 Å²	41	91.6 Å²	91.6	22%	0.215	48%	0.475	C	S	.	.			trans	-62	114.8	175	173.8	56.8	0	0	0	109.8	R34 F38 I337 L340	R34-L36 PolarHBondContact O-N 3.27Å; L36-F38 PolarHBondContact O-N 3.29Å; L36-I337 HydrophobicContact CD2-CB 4.46Å; L36-I337 HydrophobicContact CD2-CG2 3.64Å; L36-L340 HydrophobicContact CD1-CD1 3.75Å; L36-L340 HydrophobicContact CD2-CB 4.41Å; L36-L340 HydrophobicContact CD2-CD1 3.57Å; L36-L340 HydrophobicContact CG-CD1 4.29Å
37	Q	84.8	Confident	71.7	Confident	120 Å²	120	89.7 Å²	89.7	56%	0.561	46%	0.46	S	S	*	.			trans	-82.8	108.7	166	-62.8	-163.2	1.4	0	0	108.9	Q35 R40	Q35-Q37 PolarHBondContact O-N 2.85Å; Q35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-R40 HydrophobicContact CB-CG 4.19Å; Q37-R40 WeakPolarHBondContact O-CG 3.45Å; Q37-R40 PolarHBondContact O-NE 2.88Å
38	F	94.3	Very high	74.7	Confident	20 Å²	20	91.5 Å²	91.5	9%	0.088	45%	0.451	C	S	.	.	S	Bend	trans	-64.8	-40	178.6	-179.4	-88	0	0	0	111.7	Y25 L36 S50 C51 N79 G80 I337	Y25-F38 HydrophobicContact CD2-CD2 4.13Å; Y25-F38 HydrophobicContact CE2-CD2 4.13Å; Y25-F38 HydrophobicContact CE2-CE2 4.22Å; L36-F38 PolarHBondContact O-N 3.29Å; F38-S50 CarbonylContact O-C 3.56Å; F38-S50 WeakPolarHBondContact O-CA 3.48Å; F38-C51 WeakPolarHBondContact O-CB 3.17Å; F38-C51 PolarHBondContact O-N 3.21Å; F38-C51 PolarHBondContact O-SG 2.85Å; F38-N79 WeakPolarHBondContact CZ-O 3.28Å; F38-G80 WeakPolarHBondContact CE1-O 3.41Å; F38-I337 HydrophobicContact CD2-CD1 3.75Å; F38-I337 HydrophobicContact CE2-CD1 3.4Å; F38-I337 VanDerWaalsContact CE2-CD1 3.4Å
39	Y	97.7	Very high	77.9	Confident	70 Å²	70	80.6 Å²	80.6	28%	0.275	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.6	168.2	-64.2	-73.9	0	0	0	110.2	R48 V49 G80 N82	Y39-R48 PolarHBondContact O-NH2 3.13Å; Y39-V49 CarbonylContact C-O 3.52Å; Y39-V49 VanDerWaalsContact CA-O 3.29Å; Y39-V49 WeakPolarHBondContact CA-O 3.3Å; Y39-G80 WeakPolarHBondContact CE1-O 3.4Å; Y39-G80 WeakPolarHBondContact OH-CA 3.31Å; Y39-G80 PolarHBondContact OH-O 2.86Å; Y39-N82 HydrophobicContact CE1-CB 4.49Å
40	R	96.3	Very high	80.9	Confident	34 Å²	34	70.7 Å²	70.7	13%	0.128	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.7	179.5	-53.8	-180	-173.2	-178.8	-1.2	110	Q37 R48 V49 V317	Q37-R40 HydrophobicContact CB-CG 4.19Å; Q37-R40 WeakPolarHBondContact O-CG 3.45Å; Q37-R40 PolarHBondContact O-NE 2.88Å; R40-R48 CarbonylContact O-C 3.54Å; R40-R48 VanDerWaalsContact O-CA 3.28Å; R40-R48 WeakPolarHBondContact O-CA 3.42Å; R40-V49 PolarHBondContact N-O 2.95Å; R40-V49 PolarHBondContact O-N 3.39Å; R40-V317 PolarHBondContact NH1-O 3.45Å
41	N	98.5	Very high	83.8	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.4	171.1	-70.8	79.1	0	0	0	110.7	G43 S45 L47 R48 S318	N41-G43 WeakPolarHBondContact CB-O 3.49Å; N41-G43 PolarHBondContact O-N 3.19Å; N41-S45 PolarHBondContact ND2-O 2.84Å; N41-L47 CarbonylContact C-O 3.56Å; N41-L47 WeakPolarHBondContact CA-O 3.37Å; N41-R48 PolarHBondContact OD1-NH1 2.88Å; N41-R48 VanDerWaalsContact OD1-NH1 3.16Å; N41-S318 PolarHBondContact O-OG 2.98Å
42	L	98.7	Very high	86.8	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-82.1	98.2	170.1	-172.1	59.6	0	0	0	108.8	S45 L47 V49 V154 I211 C212 M241	L42-S45 WeakPolarHBondContact O-CB 3.4Å; L42-S45 PolarHBondContact O-N 3.16Å; L42-S45 PolarHBondContact O-OG 3.47Å; L42-L47 HydrophobicContact CD2-CD2 4.13Å; L42-L47 PolarHBondContact N-O 2.89Å; L42-V49 HydrophobicContact CB-CG1 4.44Å; L42-V49 HydrophobicContact CB-CG2 4.35Å; L42-V49 HydrophobicContact CD1-CG2 4.43Å; L42-V154 HydrophobicContact CD2-CG2 4.3Å; L42-I211 HydrophobicContact CD2-CD1 3.94Å; L42-I211 HydrophobicContact CG-CD1 4.43Å; L42-C212 HydrophobicContact CD1-CB 4.17Å; L42-C212 HydrophobicContact CD2-CB 3.9Å; L42-C212 HydrophobicContact CG-CB 3.95Å; L42-M241 HydrophobicContact CD1-CB 4.35Å; L42-M241 HydrophobicContact CD1-CE 4.07Å; L42-M241 HydrophobicContact CD2-CE 3.88Å
43	G	98.1	Very high	89.7	Confident	7 Å²	7	57.3 Å²	57.3	7%	0.072	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-142.1	-168.2	0	0	0	0	0	111.8	N41 S45 G237 S318	N41-G43 WeakPolarHBondContact CB-O 3.49Å; N41-G43 PolarHBondContact O-N 3.19Å; G43-S45 VanDerWaalsContact C-N 3.3Å; G43-G237 WeakPolarHBondContact CA-O 3.44Å; G43-S318 PolarHBondContact N-OG 2.86Å
44	K	98.5	Very high	92.2	Very high	130 Å²	130	49.2 Å²	49.2	57%	0.565	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.3	173.1	-67.2	-173.9	-174.2	169.6	0	113.4	F233 H234 G237	K44-F233 VanDerWaalsContact CE-O 3.28Å; K44-F233 WeakPolarHBondContact CE-O 3.29Å; K44-F233 HydrophobicContact CG-CE2 3.93Å; K44-F233 HydrophobicContact CG-CZ 4.14Å; K44-F233 PolarHBondContact NZ-O 3.04Å; K44-H234 PolarHBondContact NZ-O 3.25Å; K44-H234 VanDerWaalsContact NZ-O 3.09Å; K44-G237 PolarHBondContact N-O 2.74Å
45	S	98.8	Very high	94.4	Very high	17 Å²	17	40.1 Å²	40.1	12%	0.119	20%	0.202	C	C	.	.	S	Bend	trans	-71.1	165.2	177.2	78.6	0	0	0	0	112	N41 L42 G43 L47	N41-S45 PolarHBondContact ND2-O 2.84Å; L42-S45 WeakPolarHBondContact O-CB 3.4Å; L42-S45 PolarHBondContact O-N 3.16Å; L42-S45 PolarHBondContact O-OG 3.47Å; G43-S45 VanDerWaalsContact C-N 3.3Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.8Å; S45-L47 PolarHBondContact OG-N 2.67Å
46	G	98.7	Very high	96.3	Very high	60 Å²	60	33.6 Å²	33.6	62%	0.619	17%	0.172	S	C	*	.	S	Bend	trans	-75.5	-10.8	173.6	0	0	0	0	0	114.5	R48	G46-R48 PolarHBondContact O-N 3.35Å
47	L	98.9	Very high	97.6	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	18%	0.175	C	C	.	.			trans	-71.7	118.5	-176.6	-176.8	63.2	0	0	0	110.4	N41 L42 S45 V49 V114 V154 Y184 I211	N41-L47 CarbonylContact C-O 3.56Å; N41-L47 WeakPolarHBondContact CA-O 3.37Å; L42-L47 HydrophobicContact CD2-CD2 4.13Å; L42-L47 PolarHBondContact N-O 2.89Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.8Å; S45-L47 PolarHBondContact OG-N 2.67Å; L47-V49 HydrophobicContact CG-CG1 4.36Å; L47-V114 HydrophobicContact CD1-CG1 4.42Å; L47-V114 HydrophobicContact CD1-CG2 3.99Å; L47-V114 HydrophobicContact CD2-CG1 4.04Å; L47-V154 HydrophobicContact CD2-CG2 3.8Å; L47-Y184 HydrophobicContact CB-CE2 3.98Å; L47-Y184 HydrophobicContact CD1-CE2 4.39Å; L47-Y184 HydrophobicContact CD2-CD2 4.04Å; L47-Y184 HydrophobicContact CD2-CE2 4.21Å; L47-Y184 HydrophobicContact CG-CE2 4.43Å; L47-I211 HydrophobicContact CD2-CD1 4.4Å
48	R	98.8	Very high	98.1	Very high	111 Å²	111	30.2 Å²	30.2	42%	0.419	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.4	174.9	-66	-166.2	74.4	100.1	-4.9	111.5	Y39 R40 N41 G46 N82	Y39-R48 PolarHBondContact O-NH2 3.13Å; R40-R48 CarbonylContact O-C 3.54Å; R40-R48 VanDerWaalsContact O-CA 3.28Å; R40-R48 WeakPolarHBondContact O-CA 3.42Å; N41-R48 PolarHBondContact OD1-NH1 2.88Å; N41-R48 VanDerWaalsContact OD1-NH1 3.16Å; G46-R48 PolarHBondContact O-N 3.35Å; R48-N82 PolarHBondContact O-ND2 3.21Å
49	V	98.8	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.3	177.4	-64	0	0	0	0	110.5	Y39 R40 L42 L47 N82 L83 V114	Y39-V49 CarbonylContact C-O 3.52Å; Y39-V49 VanDerWaalsContact CA-O 3.29Å; Y39-V49 WeakPolarHBondContact CA-O 3.3Å; R40-V49 PolarHBondContact N-O 2.95Å; R40-V49 PolarHBondContact O-N 3.39Å; L42-V49 HydrophobicContact CB-CG1 4.44Å; L42-V49 HydrophobicContact CB-CG2 4.35Å; L42-V49 HydrophobicContact CD1-CG2 4.43Å; L47-V49 HydrophobicContact CG-CG1 4.36Å; V49-N82 WeakPolarHBondContact CA-OD1 3.38Å; V49-L83 HydrophobicContact CB-CB 4.45Å; V49-L83 HydrophobicContact CB-CD2 4.41Å; V49-L83 HydrophobicContact CG1-CD1 4.44Å; V49-V114 HydrophobicContact CG1-CG1 4.07Å; V49-V114 HydrophobicContact CG1-CG2 4.37Å
50	S	98.8	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.8	165.2	47.5	0	0	0	0	109.7	F38 L52 I81 N82 S319	F38-S50 CarbonylContact O-C 3.56Å; F38-S50 WeakPolarHBondContact O-CA 3.48Å; S50-L52 VanDerWaalsContact CB-O 3.28Å; S50-L52 WeakPolarHBondContact CB-O 3.47Å; S50-L52 PolarHBondContact O-N 3.31Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 PolarHBondContact OG-O 3.37Å; S50-I81 WeakPolarHBondContact OG-CA 3.48Å; S50-N82 PolarHBondContact N-OD1 2.87Å; S50-N82 PolarHBondContact OG-N 2.95Å; S50-N82 PolarHBondContact OG-OD1 3.36Å; S50-S319 VanDerWaalsContact O-CB 3.28Å; S50-S319 WeakPolarHBondContact O-CB 3.31Å; S50-S319 PolarHBondContact O-OG 3.3Å
51	C	98.3	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-63.9	-17	178.8	64.5	0	0	0	0	112.7	F38 L312 S319 V320	F38-C51 WeakPolarHBondContact O-CB 3.17Å; F38-C51 PolarHBondContact O-N 3.21Å; F38-C51 PolarHBondContact O-SG 2.85Å; C51-L312 HydrophobicContact CB-CD1 4.34Å; C51-L312 HydrophobicContact CB-CD2 3.94Å; C51-L312 WeakPolarHBondContact O-CD2 3.16Å; C51-S319 CarbonylContact O-C 3.56Å; C51-S319 VanDerWaalsContact O-CA 3.28Å; C51-S319 WeakPolarHBondContact O-CA 3.43Å; C51-S319 PolarHBondContact O-OG 3.48Å; C51-V320 PolarHBondContact O-N 3.45Å
52	L	98.8	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.5	166.1	-61.2	176.5	0	0	0	109.2	S50 I81 I308 L312 V320 L322 I337	S50-L52 VanDerWaalsContact CB-O 3.28Å; S50-L52 WeakPolarHBondContact CB-O 3.47Å; S50-L52 PolarHBondContact O-N 3.31Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 PolarHBondContact OG-O 3.37Å; L52-I81 HydrophobicContact CB-CD1 4.05Å; L52-I81 HydrophobicContact CB-CG1 4.32Å; L52-I81 WeakPolarHBondContact O-CG2 3.41Å; L52-I308 HydrophobicContact CD2-CG2 3.68Å; L52-L312 HydrophobicContact CD2-CD1 3.68Å; L52-L312 HydrophobicContact CG-CD1 4.24Å; L52-V320 WeakPolarHBondContact CA-O 3.28Å; L52-V320 HydrophobicContact CD2-CB 4.16Å; L52-L322 HydrophobicContact CB-CD1 4.27Å; L52-L322 HydrophobicContact CD1-CD1 4.21Å; L52-L322 HydrophobicContact CD2-CD1 4.43Å; L52-L322 HydrophobicContact CD2-CD2 4.13Å; L52-L322 HydrophobicContact CD2-CG 4.34Å; L52-I337 HydrophobicContact CD1-CD1 3.7Å; L52-I337 HydrophobicContact CD1-CG1 3.89Å; L52-I337 HydrophobicContact CG-CD1 4.47Å
53	G	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	167.1	168.2	0	0	0	0	0	111.1	L83 S319 V320 L322	G53-L83 CarbonylContact C-O 3.52Å; G53-L83 VanDerWaalsContact CA-O 3.22Å; G53-L83 WeakPolarHBondContact CA-O 3.33Å; G53-S319 PolarHBondContact N-OG 3.09Å; G53-V320 PolarHBondContact N-O 3.34Å; G53-L322 WeakPolarHBondContact O-CB 3.33Å; G53-L322 PolarHBondContact O-N 2.76Å
54	L	98.9	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118	175.5	-179.5	63.8	0	0	0	110.3	F60 L72 A76 L83 F84 D85 L330	L54-F60 HydrophobicContact CD2-CZ 4.36Å; L54-L72 HydrophobicContact CD2-CB 4.3Å; L54-A76 HydrophobicContact CB-CB 4.44Å; L54-A76 HydrophobicContact CD2-CB 4.06Å; L54-L83 PolarHBondContact N-O 2.77Å; L54-F84 HydrophobicContact CB-CD1 3.98Å; L54-F84 HydrophobicContact CB-CE1 4.22Å; L54-F84 HydrophobicContact CD2-CD1 4.35Å; L54-F84 HydrophobicContact CD2-CE1 4.29Å; L54-F84 WeakPolarHBondContact O-CA 3.2Å; L54-D85 PolarHBondContact O-N 3.49Å; L54-L330 HydrophobicContact CD1-CD1 4.27Å
55	G	98.6	Very high	97.9	Very high	8 Å²	8	26.1 Å²	26.1	8%	0.082	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.4	173.6	0	0	0	0	0	112.6	D85 L322	G55-D85 CarbonylContact C-O 3.56Å; G55-D85 WeakPolarHBondContact CA-O 3.43Å; G55-L322 PolarHBondContact N-O 2.7Å
56	T	98.6	Very high	97.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	18%	0.175	C	C	.	.			trans	-100.6	-3.4	-177.1	62.5	0	0	0	0	114.5	V58 T59 F60 D85 T86 Y90 L99	T56-V58 PolarHBondContact O-N 3.05Å; T56-T59 PolarHBondContact O-N 2.85Å; T56-T59 PolarHBondContact O-OG1 2.99Å; T56-F60 HydrophobicContact CG2-CB 4.22Å; T56-F60 HydrophobicContact CG2-CD1 3.92Å; T56-F60 HydrophobicContact CG2-CD2 3.69Å; T56-F60 HydrophobicContact CG2-CE1 4.22Å; T56-F60 HydrophobicContact CG2-CE2 4.01Å; T56-F60 HydrophobicContact CG2-CG 3.67Å; T56-F60 HydrophobicContact CG2-CZ 4.28Å; T56-F60 PolarHBondContact O-N 3.4Å; T56-D85 WeakPolarHBondContact CG2-O 3.46Å; T56-D85 PolarHBondContact N-O 2.91Å; T56-D85 PolarHBondContact OG1-O 3.22Å; T56-D85 VanDerWaalsContact OG1-O 3.1Å; T56-T86 VanDerWaalsContact OG1-CA 3.29Å; T56-T86 WeakPolarHBondContact OG1-CA 3.29Å; T56-T86 VanDerWaalsContact OG1-CB 3.27Å; T56-T86 WeakPolarHBondContact OG1-CB 3.46Å; T56-T86 PolarHBondContact OG1-OG1 3.24Å; T56-Y90 WeakPolarHBondContact OG1-CD2 3.28Å; T56-L99 HydrophobicContact CG2-CD2 4.5Å
57	W	97.6	Very high	97.9	Very high	73 Å²	73	32 Å²	32	28%	0.277	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	134.1	-176.7	-176.4	45.5	0	0	0	112.1	T59 Y90 Y270 W272	W57-T59 PolarHBondContact O-N 2.94Å; W57-T59 VanDerWaalsContact O-N 3.07Å; W57-Y90 HydrophobicContact CB-CD1 4.44Å; W57-Y90 HydrophobicContact CB-CD2 4.06Å; W57-Y90 HydrophobicContact CB-CE1 4.07Å; W57-Y90 HydrophobicContact CB-CE2 3.64Å; W57-Y90 HydrophobicContact CB-CG 4.45Å; W57-Y90 AromaticContact CD1-CD1 3.54Å; W57-Y90 AromaticContact CD1-CE1 3.43Å; W57-Y90 VanDerWaalsContact CD1-CE1 3.43Å; W57-Y90 AromaticContact CD1-CZ 3.96Å; W57-Y90 HydrophobicContact CG-CD1 4.28Å; W57-Y90 AromaticContact CG-CE1 3.88Å; W57-Y90 HydrophobicContact CG-CE1 3.88Å; W57-Y90 HydrophobicContact CG-CE2 4.36Å; W57-Y90 AromaticContact CG-CZ 3.93Å; W57-Y270 HydrophobicContact CZ2-CE1 4.27Å; W57-W272 HydrophobicContact CH2-CH2 4.17Å; W57-W272 HydrophobicContact CH2-CZ2 4.02Å; W57-W272 HydrophobicContact CZ2-CZ2 4.31Å
58	V	95.4	Very high	97.9	Very high	17 Å²	17	33.2 Å²	33.2	10%	0.103	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-37	-176.4	-169.3	0	0	0	0	113.6	T56 Q63 R264 L267 Y270	T56-V58 PolarHBondContact O-N 3.05Å; V58-Q63 HydrophobicContact CG1-CB 4.33Å; V58-Q63 VanDerWaalsContact O-CB 3.25Å; V58-Q63 WeakPolarHBondContact O-CB 3.39Å; V58-Q63 PolarHBondContact O-N 2.94Å; V58-R264 HydrophobicContact CG1-CG 4.25Å; V58-R264 VanDerWaalsContact CG2-CZ 3.45Å; V58-L267 HydrophobicContact CG1-CD1 3.78Å; V58-Y270 HydrophobicContact CG1-CE1 4.27Å; V58-Y270 HydrophobicContact CG1-CE2 4.09Å; V58-Y270 WeakPolarHBondContact CG1-OH 3.23Å; V58-Y270 HydrophobicContact CG2-CE1 3.74Å; V58-Y270 WeakPolarHBondContact CG2-OH 3.37Å
59	T	97.4	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	16%	0.159	C	C	.	.	I	π-helix	trans	-87.3	-68.1	-166.7	47.1	0	0	0	0	112.3	T56 W57 G61 G62 Q63 I64 A324	T56-T59 PolarHBondContact O-N 2.85Å; T56-T59 PolarHBondContact O-OG1 2.99Å; W57-T59 PolarHBondContact O-N 2.94Å; W57-T59 VanDerWaalsContact O-N 3.07Å; T59-G61 PolarHBondContact O-N 2.86Å; T59-G62 CarbonylContact O-C 3.51Å; T59-G62 PolarHBondContact O-N 3.45Å; T59-G62 VanDerWaalsContact O-N 3.09Å; T59-Q63 PolarHBondContact O-N 2.82Å; T59-Q63 VanDerWaalsContact O-N 3.11Å; T59-I64 HydrophobicContact CG2-CG2 4.5Å; T59-I64 WeakPolarHBondContact O-CG1 3.29Å; T59-I64 PolarHBondContact O-N 3.39Å; T59-A324 WeakPolarHBondContact CG2-O 3.4Å
60	F	98.3	Very high	97.9	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.013	17%	0.168	C	C	.	.	I	π-helix	trans	-68.3	133.3	-170.1	-71.5	43.7	0	0	0	110.5	L54 T56 G62 I64 A69 A95 V98 I102	L54-F60 HydrophobicContact CD2-CZ 4.36Å; T56-F60 HydrophobicContact CG2-CB 4.22Å; T56-F60 HydrophobicContact CG2-CD1 3.92Å; T56-F60 HydrophobicContact CG2-CD2 3.69Å; T56-F60 HydrophobicContact CG2-CE1 4.22Å; T56-F60 HydrophobicContact CG2-CE2 4.01Å; T56-F60 HydrophobicContact CG2-CG 3.67Å; T56-F60 HydrophobicContact CG2-CZ 4.28Å; T56-F60 PolarHBondContact O-N 3.4Å; F60-G62 PolarHBondContact O-N 3.21Å; F60-I64 HydrophobicContact CD1-CD1 4.22Å; F60-I64 HydrophobicContact CE1-CD1 4.34Å; F60-A69 HydrophobicContact CD1-CB 4.1Å; F60-A69 HydrophobicContact CD2-CB 3.74Å; F60-A69 HydrophobicContact CE1-CB 4.06Å; F60-A69 HydrophobicContact CE2-CB 3.69Å; F60-A69 HydrophobicContact CG-CB 3.93Å; F60-A69 HydrophobicContact CZ-CB 3.84Å; F60-A95 HydrophobicContact CB-CB 4.04Å; F60-A95 WeakPolarHBondContact O-CB 3.47Å; F60-V98 HydrophobicContact CB-CB 4.42Å; F60-V98 HydrophobicContact CB-CG1 4.35Å; F60-V98 HydrophobicContact CD2-CB 4.31Å; F60-V98 HydrophobicContact CD2-CG1 3.74Å; F60-V98 HydrophobicContact CE2-CG1 4.46Å; F60-V98 HydrophobicContact CG-CG1 4.38Å; F60-I102 HydrophobicContact CD2-CD1 4.42Å; F60-I102 HydrophobicContact CE2-CD1 3.85Å
61	G	95.6	Very high	97.9	Very high	21 Å²	21	34.5 Å²	34.5	22%	0.216	19%	0.19	C	C	.	.	I	π-helix	trans	65.5	12.2	-176.2	0	0	0	0	0	114.5	T59 A91	T59-G61 PolarHBondContact O-N 2.86Å; G61-A91 WeakPolarHBondContact O-CB 3.41Å
62	G	95.8	Very high	97.9	Very high	50 Å²	50	34.5 Å²	34.5	52%	0.515	19%	0.19	S	C	.	.	I	π-helix	trans	-139.7	-100.7	-172.8	0	0	0	0	0	112.5	T59 F60 I64	T59-G62 CarbonylContact O-C 3.51Å; T59-G62 PolarHBondContact O-N 3.45Å; T59-G62 VanDerWaalsContact O-N 3.09Å; F60-G62 PolarHBondContact O-N 3.21Å; G62-I64 PolarHBondContact O-N 3.31Å
63	Q	95.5	Very high	97.9	Very high	57 Å²	57	34.5 Å²	34.5	27%	0.266	19%	0.19	S	C	.	.	I	π-helix	trans	-65.1	-33.9	-173	-178.2	-174.2	13.2	0	0	113.9	V58 T59 Y262 L267	V58-Q63 HydrophobicContact CG1-CB 4.33Å; V58-Q63 VanDerWaalsContact O-CB 3.25Å; V58-Q63 WeakPolarHBondContact O-CB 3.39Å; V58-Q63 PolarHBondContact O-N 2.94Å; T59-Q63 PolarHBondContact O-N 2.82Å; T59-Q63 VanDerWaalsContact O-N 3.11Å; Q63-Y262 PolarHBondContact NE2-O 3.25Å; Q63-L267 HydrophobicContact CB-CD1 4.15Å; Q63-L267 HydrophobicContact CG-CD1 3.88Å; Q63-L267 HydrophobicContact CG-CD2 4.35Å
64	I	97.8	Very high	97.9	Very high	20 Å²	20	35.3 Å²	35.3	10%	0.103	20%	0.195	C	C	.	.	S	Bend	trans	-114.1	159.9	-174.5	65.5	171.4	0	0	0	110.7	T59 F60 G62 M68 A69 L72 S325	T59-I64 HydrophobicContact CG2-CG2 4.5Å; T59-I64 WeakPolarHBondContact O-CG1 3.29Å; T59-I64 PolarHBondContact O-N 3.39Å; F60-I64 HydrophobicContact CD1-CD1 4.22Å; F60-I64 HydrophobicContact CE1-CD1 4.34Å; G62-I64 PolarHBondContact O-N 3.31Å; I64-M68 HydrophobicContact CB-CB 4.15Å; I64-M68 HydrophobicContact CB-CG 4.07Å; I64-M68 HydrophobicContact CD1-CB 4.29Å; I64-M68 HydrophobicContact CD1-CG 4Å; I64-M68 HydrophobicContact CG2-CG 4.34Å; I64-A69 HydrophobicContact CD1-CB 3.96Å; I64-L72 HydrophobicContact CD1-CD1 3.57Å; I64-S325 WeakPolarHBondContact CG2-O 3.46Å
65	T	98.4	Very high	97.9	Very high	84 Å²	84	36.8 Å²	36.8	52%	0.515	20%	0.203	S	C	.	.			trans	-73.9	161.8	173.2	79	0	0	0	0	111.3	E67 M68 A69	T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact CB-OE2 3.23Å; T65-E67 PolarHBondContact O-N 2.87Å; T65-E67 PolarHBondContact OG1-OE2 3.4Å; T65-M68 PolarHBondContact O-N 2.81Å; T65-M68 PolarHBondContact OG1-N 2.94Å; T65-A69 PolarHBondContact O-N 3.06Å
66	D	98.6	Very high	97.9	Very high	75 Å²	75	36.4 Å²	36.4	40%	0.401	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-31.3	178.7	-69.4	5.9	0	0	0	111.5	A69 E70 V98	D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 3.2Å; D66-E70 WeakPolarHBondContact O-CB 3.13Å; D66-E70 PolarHBondContact O-N 3.36Å; D66-V98 HydrophobicContact CB-CG1 4.42Å; D66-V98 WeakPolarHBondContact OD1-CG2 3.37Å
67	E	98.6	Very high	97.9	Very high	125 Å²	125	37.8 Å²	37.8	58%	0.584	20%	0.204	S	C	*	.	H	α-helix	trans	-65.7	-42.2	174.1	-58.3	72.5	-156.4	0	0	111.4	T65 A69 E70 Q71	T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact CB-OE2 3.23Å; T65-E67 PolarHBondContact O-N 2.87Å; T65-E67 PolarHBondContact OG1-OE2 3.4Å; E67-A69 VanDerWaalsContact C-N 3.33Å; E67-E70 PolarHBondContact O-N 3.44Å; E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.4Å; E67-Q71 PolarHBondContact O-N 3.45Å
68	M	98.7	Very high	97.9	Very high	46 Å²	46	39.8 Å²	39.8	23%	0.227	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-38.6	174.9	-178	57.1	61.4	0	0	110.8	I64 T65 E70 Q71 L72 N326 T327	I64-M68 HydrophobicContact CB-CB 4.15Å; I64-M68 HydrophobicContact CB-CG 4.07Å; I64-M68 HydrophobicContact CD1-CB 4.29Å; I64-M68 HydrophobicContact CD1-CG 4Å; I64-M68 HydrophobicContact CG2-CG 4.34Å; T65-M68 PolarHBondContact O-N 2.81Å; T65-M68 PolarHBondContact OG1-N 2.94Å; M68-E70 VanDerWaalsContact C-N 3.34Å; M68-E70 PolarHBondContact O-N 3Å; M68-Q71 PolarHBondContact O-N 3.37Å; M68-L72 HydrophobicContact CG-CD1 4.34Å; M68-L72 WeakPolarHBondContact O-CB 3.37Å; M68-L72 VanDerWaalsContact O-CG 3.26Å; M68-L72 WeakPolarHBondContact O-CG 3.39Å; M68-L72 PolarHBondContact O-N 3.47Å; M68-L72 HydrophobicContact SD-CG 4.39Å; M68-N326 HydrophobicContact SD-CB 4.44Å; M68-T327 HydrophobicContact SD-CG2 4.22Å
69	A	98.8	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.3	0	0	0	0	0	111.8	F60 I64 T65 D66 E67 L72 M73 V98 I102	F60-A69 HydrophobicContact CD1-CB 4.1Å; F60-A69 HydrophobicContact CD2-CB 3.74Å; F60-A69 HydrophobicContact CE1-CB 4.06Å; F60-A69 HydrophobicContact CE2-CB 3.69Å; F60-A69 HydrophobicContact CG-CB 3.93Å; F60-A69 HydrophobicContact CZ-CB 3.84Å; I64-A69 HydrophobicContact CD1-CB 3.96Å; T65-A69 PolarHBondContact O-N 3.06Å; D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 3.2Å; E67-A69 VanDerWaalsContact C-N 3.33Å; A69-L72 PolarHBondContact O-N 2.87Å; A69-M73 WeakPolarHBondContact O-CB 3.29Å; A69-M73 PolarHBondContact O-N 2.8Å; A69-V98 HydrophobicContact CB-CG1 3.68Å; A69-I102 HydrophobicContact CB-CD1 3.99Å
70	E	98.8	Very high	98.1	Very high	41 Å²	41	40 Å²	40	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-43.6	174.5	-178.7	177.9	159	0	0	112.2	D66 E67 M68 M73 T74 I102 K105 K106	D66-E70 WeakPolarHBondContact O-CB 3.13Å; D66-E70 PolarHBondContact O-N 3.36Å; E67-E70 PolarHBondContact O-N 3.44Å; M68-E70 VanDerWaalsContact C-N 3.34Å; M68-E70 PolarHBondContact O-N 3Å; E70-M73 PolarHBondContact O-N 3.08Å; E70-T74 VanDerWaalsContact O-CB 3.23Å; E70-T74 WeakPolarHBondContact O-CB 3.34Å; E70-T74 PolarHBondContact O-N 3.24Å; E70-T74 PolarHBondContact O-OG1 3.36Å; E70-I102 HydrophobicContact CB-CD1 4.22Å; E70-I102 HydrophobicContact CB-CG1 3.96Å; E70-I102 HydrophobicContact CG-CG1 4.41Å; E70-I102 HydrophobicContact CG-CG2 4.25Å; E70-K105 WeakPolarHBondContact OE1-CE 3.48Å; E70-K105 IonicContact OE1-NZ 3.43Å; E70-K105 PolarHBondContact OE1-NZ 3Å; E70-K105 WeakPolarHBondContact OE2-CD 3.34Å; E70-K105 IonicContact OE2-NZ 3.78Å; E70-K105 PolarHBondContact OE2-NZ 2.94Å; E70-K106 HydrophobicContact CG-CD 4.47Å
71	Q	98.8	Very high	98.1	Very high	98 Å²	98	39.9 Å²	39.9	46%	0.458	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-47.5	176.6	-74.8	173.4	-11.5	0	0	111.4	E67 M68 T74 L75 T327	E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.4Å; E67-Q71 PolarHBondContact O-N 3.45Å; M68-Q71 PolarHBondContact O-N 3.37Å; Q71-T74 PolarHBondContact O-N 3.3Å; Q71-L75 VanDerWaalsContact O-CB 3.28Å; Q71-L75 WeakPolarHBondContact O-CB 3.27Å; Q71-L75 PolarHBondContact O-N 3.06Å; Q71-T327 HydrophobicContact CB-CG2 4.01Å
72	L	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-47.5	177.4	-71.4	173.1	0	0	0	112	L54 I64 M68 A69 L75 A76 A324 N326 T327 L330	L54-L72 HydrophobicContact CD2-CB 4.3Å; I64-L72 HydrophobicContact CD1-CD1 3.57Å; M68-L72 HydrophobicContact CG-CD1 4.34Å; M68-L72 WeakPolarHBondContact O-CB 3.37Å; M68-L72 VanDerWaalsContact O-CG 3.26Å; M68-L72 WeakPolarHBondContact O-CG 3.39Å; M68-L72 PolarHBondContact O-N 3.47Å; M68-L72 HydrophobicContact SD-CG 4.39Å; A69-L72 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-A76 WeakPolarHBondContact O-CB 3.35Å; L72-A76 PolarHBondContact O-N 3.39Å; L72-A324 WeakPolarHBondContact CD1-O 3.48Å; L72-A324 HydrophobicContact CD2-CB 4.06Å; L72-N326 VanDerWaalsContact CD2-O 3.32Å; L72-N326 WeakPolarHBondContact CD2-O 3.36Å; L72-T327 HydrophobicContact CD2-CG2 4.48Å; L72-L330 HydrophobicContact CB-CD2 4.16Å; L72-L330 HydrophobicContact CD2-CB 3.75Å; L72-L330 HydrophobicContact CD2-CD2 3.73Å; L72-L330 HydrophobicContact CD2-CG 4.38Å; L72-L330 WeakPolarHBondContact O-CD2 3.36Å
73	M	98.8	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.3	-39.8	-179.3	-165	-176.7	-179.7	0	0	111.8	A69 E70 A76 Y77 F84 L99 I102 I103 W108	A69-M73 WeakPolarHBondContact O-CB 3.29Å; A69-M73 PolarHBondContact O-N 2.8Å; E70-M73 PolarHBondContact O-N 3.08Å; M73-A76 PolarHBondContact O-N 2.97Å; M73-Y77 WeakPolarHBondContact O-CB 3.31Å; M73-Y77 PolarHBondContact O-N 3Å; M73-F84 HydrophobicContact CE-CB 4.49Å; M73-F84 HydrophobicContact CE-CD1 3.79Å; M73-F84 HydrophobicContact CE-CD2 3.96Å; M73-F84 HydrophobicContact CE-CE1 3.96Å; M73-F84 HydrophobicContact CE-CE2 4.12Å; M73-F84 HydrophobicContact CE-CG 3.8Å; M73-F84 HydrophobicContact CE-CZ 4.12Å; M73-F84 HydrophobicContact CG-CD1 3.85Å; M73-F84 HydrophobicContact CG-CE1 3.48Å; M73-F84 VanDerWaalsContact CG-CE1 3.48Å; M73-F84 HydrophobicContact CG-CZ 4.12Å; M73-L99 HydrophobicContact CE-CD1 3.48Å; M73-L99 VanDerWaalsContact CE-CD1 3.48Å; M73-L99 HydrophobicContact SD-CD1 3.46Å; M73-L99 WeakPolarHBondContact SD-CD1 3.45Å; M73-I102 HydrophobicContact CB-CG2 4.13Å; M73-I102 HydrophobicContact CG-CG2 4.27Å; M73-I102 HydrophobicContact SD-CB 3.91Å; M73-I102 HydrophobicContact SD-CD1 4.42Å; M73-I102 HydrophobicContact SD-CG2 3.45Å; M73-I102 WeakPolarHBondContact SD-CG2 3.49Å; M73-I103 HydrophobicContact CE-CD1 4.2Å; M73-I103 HydrophobicContact CE-CG1 3.67Å; M73-I103 HydrophobicContact SD-CG1 4.43Å; M73-W108 HydrophobicContact CE-CE3 4.31Å; M73-W108 HydrophobicContact CE-CZ3 3.77Å; M73-W108 HydrophobicContact CG-CH2 4.14Å; M73-W108 HydrophobicContact CG-CZ3 3.87Å; M73-W108 HydrophobicContact SD-CZ3 3.81Å
74	T	98.8	Very high	98.6	Very high	17 Å²	17	35 Å²	35	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-49.6	175.4	-62.5	0	0	0	0	110.5	E70 Q71 A76 Y77 E78 K106	E70-T74 VanDerWaalsContact O-CB 3.23Å; E70-T74 WeakPolarHBondContact O-CB 3.34Å; E70-T74 PolarHBondContact O-N 3.24Å; E70-T74 PolarHBondContact O-OG1 3.36Å; Q71-T74 PolarHBondContact O-N 3.3Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.86Å; T74-Y77 PolarHBondContact O-N 2.9Å; T74-E78 HydrophobicContact CG2-CG 4.3Å; T74-E78 VanDerWaalsContact CG2-OE1 3.27Å; T74-E78 WeakPolarHBondContact CG2-OE1 3.24Å; T74-E78 WeakPolarHBondContact O-CB 3.49Å; T74-E78 WeakPolarHBondContact O-CG 3.41Å; T74-E78 PolarHBondContact O-N 2.95Å; T74-K106 PolarHBondContact OG1-NZ 3.18Å
75	L	98.6	Very high	98.6	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-42.3	179.9	-172.2	63.7	0	0	0	112.2	Q71 L72 N79 T327 L330 M331	Q71-L75 VanDerWaalsContact O-CB 3.28Å; Q71-L75 WeakPolarHBondContact O-CB 3.27Å; Q71-L75 PolarHBondContact O-N 3.06Å; L72-L75 PolarHBondContact O-N 3.35Å; L75-N79 WeakPolarHBondContact O-CB 3.38Å; L75-N79 PolarHBondContact O-N 3.46Å; L75-N79 VanDerWaalsContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 3.47Å; L75-T327 HydrophobicContact CD2-CG2 4.44Å; L75-L330 HydrophobicContact CB-CD2 4.12Å; L75-L330 HydrophobicContact CD2-CB 4.36Å; L75-L330 HydrophobicContact CD2-CD2 3.97Å; L75-L330 HydrophobicContact CD2-CG 4.25Å; L75-L330 HydrophobicContact CG-CD2 4.3Å; L75-M331 HydrophobicContact CD1-CG 4.32Å; L75-M331 HydrophobicContact CD1-SD 3.51Å; L75-M331 VanDerWaalsContact CD1-SD 3.51Å; L75-M331 HydrophobicContact CD2-CG 3.42Å; L75-M331 VanDerWaalsContact CD2-CG 3.42Å; L75-M331 HydrophobicContact CD2-SD 3.45Å; L75-M331 WeakPolarHBondContact CD2-SD 3.49Å; L75-M331 HydrophobicContact CG-CG 4.24Å; L75-M331 HydrophobicContact CG-SD 3.57Å; L75-M331 VanDerWaalsContact CG-SD 3.57Å
76	A	98.8	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-51.6	175	0	0	0	0	0	111.1	L54 L72 M73 T74 E78 N79 G80 I81 F84 L330	L54-A76 HydrophobicContact CB-CB 4.44Å; L54-A76 HydrophobicContact CD2-CB 4.06Å; L72-A76 WeakPolarHBondContact O-CB 3.35Å; L72-A76 PolarHBondContact O-N 3.39Å; M73-A76 PolarHBondContact O-N 2.97Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.86Å; A76-E78 PolarHBondContact O-N 2.77Å; A76-N79 CarbonylContact O-C 3.55Å; A76-N79 PolarHBondContact O-N 3.4Å; A76-G80 PolarHBondContact O-N 2.75Å; A76-I81 HydrophobicContact CB-CB 4.01Å; A76-I81 HydrophobicContact CB-CD1 3.98Å; A76-I81 HydrophobicContact CB-CG1 4.5Å; A76-I81 HydrophobicContact CB-CG2 4.26Å; A76-I81 VanDerWaalsContact O-CB 3.28Å; A76-I81 WeakPolarHBondContact O-CB 3.47Å; A76-I81 PolarHBondContact O-N 3.3Å; A76-F84 HydrophobicContact CB-CE1 3.97Å; A76-F84 HydrophobicContact CB-CZ 4.36Å; A76-L330 HydrophobicContact CB-CD2 4.27Å
77	Y	98.6	Very high	98.7	Very high	31 Å²	31	26.8 Å²	26.8	12%	0.122	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-178.8	-173.8	-94.2	0	0	0	112.5	M73 T74 N79 G80 F84 W108 S112 L113	M73-Y77 WeakPolarHBondContact O-CB 3.31Å; M73-Y77 PolarHBondContact O-N 3Å; T74-Y77 PolarHBondContact O-N 2.9Å; Y77-N79 PolarHBondContact O-N 3.15Å; Y77-G80 PolarHBondContact O-N 3.36Å; Y77-F84 HydrophobicContact CD2-CE2 4.44Å; Y77-F84 HydrophobicContact CD2-CZ 4.48Å; Y77-W108 AromaticContact CD1-CD1 3.88Å; Y77-W108 AromaticContact CD1-CD2 3.99Å; Y77-W108 HydrophobicContact CD1-CD2 3.99Å; Y77-W108 AromaticContact CD1-CE2 3.48Å; Y77-W108 VanDerWaalsContact CD1-CE2 3.48Å; Y77-W108 HydrophobicContact CD1-CG 4.2Å; Y77-W108 AromaticContact CD1-CZ2 3.89Å; Y77-W108 HydrophobicContact CD1-CZ2 3.89Å; Y77-W108 AromaticContact CD1-NE1 3.41Å; Y77-W108 HydrophobicContact CD2-CD2 4.19Å; Y77-W108 HydrophobicContact CD2-CE3 4.37Å; Y77-W108 AromaticContact CE1-CD1 3.44Å; Y77-W108 VanDerWaalsContact CE1-CD1 3.44Å; Y77-W108 HydrophobicContact CE1-CD2 4.14Å; Y77-W108 AromaticContact CE1-CE2 3.91Å; Y77-W108 AromaticContact CE1-CG 3.86Å; Y77-W108 HydrophobicContact CE1-CG 3.86Å; Y77-W108 AromaticContact CE1-NE1 3.45Å; Y77-W108 HydrophobicContact CE2-CB 4.4Å; Y77-W108 HydrophobicContact CE2-CD2 4.33Å; Y77-W108 HydrophobicContact CE2-CG 4.19Å; Y77-W108 HydrophobicContact CG-CD2 4Å; Y77-W108 AromaticContact CG-CE2 3.77Å; Y77-W108 HydrophobicContact CG-CE3 4.37Å; Y77-W108 HydrophobicContact CG-CH2 4.32Å; Y77-W108 AromaticContact CG-CZ2 3.93Å; Y77-W108 HydrophobicContact CG-CZ2 3.93Å; Y77-W108 AromaticContact CZ-CD1 3.83Å; Y77-W108 AromaticContact CZ-CG 3.84Å; Y77-S112 PolarHBondContact OH-OG 3.08Å; Y77-L113 HydrophobicContact CD2-CD2 3.58Å; Y77-L113 HydrophobicContact CE2-CD2 3.54Å; Y77-L113 HydrophobicContact CE2-CG 4.33Å
78	E	98	Very high	98.7	Very high	115 Å²	115	21 Å²	21	54%	0.537	10%	0.103	S	C	.	.	H	α-helix	trans	-64.8	-27	177.9	-72.6	175.4	177.2	0	0	113	T74 A76 G80	T74-E78 HydrophobicContact CG2-CG 4.3Å; T74-E78 VanDerWaalsContact CG2-OE1 3.27Å; T74-E78 WeakPolarHBondContact CG2-OE1 3.24Å; T74-E78 WeakPolarHBondContact O-CB 3.49Å; T74-E78 WeakPolarHBondContact O-CG 3.41Å; T74-E78 PolarHBondContact O-N 2.95Å; A76-E78 PolarHBondContact O-N 2.77Å; E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.46Å
79	N	98	Very high	98.7	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.091	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	10.9	172.5	-76.7	-86.5	0	0	0	113.3	M23 F38 L75 A76 Y77 I334	M23-N79 WeakPolarHBondContact CE-OD1 3.41Å; F38-N79 WeakPolarHBondContact CZ-O 3.28Å; L75-N79 WeakPolarHBondContact O-CB 3.38Å; L75-N79 PolarHBondContact O-N 3.46Å; L75-N79 VanDerWaalsContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 3.47Å; A76-N79 CarbonylContact O-C 3.55Å; A76-N79 PolarHBondContact O-N 3.4Å; Y77-N79 PolarHBondContact O-N 3.15Å; N79-I334 HydrophobicContact CB-CD1 4.12Å; N79-I334 HydrophobicContact CB-CG2 4.48Å
80	G	97.8	Very high	98.7	Very high	5 Å²	5	22.6 Å²	22.6	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	1.9	175	0	0	0	0	0	115	F38 Y39 A76 Y77 E78 N82	F38-G80 WeakPolarHBondContact CE1-O 3.41Å; Y39-G80 WeakPolarHBondContact CE1-O 3.4Å; Y39-G80 WeakPolarHBondContact OH-CA 3.31Å; Y39-G80 PolarHBondContact OH-O 2.86Å; A76-G80 PolarHBondContact O-N 2.75Å; Y77-G80 PolarHBondContact O-N 3.36Å; E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.46Å; G80-N82 PolarHBondContact O-N 3.19Å
81	I	98.8	Very high	98.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.12	C	C	.	.			trans	-65.2	120	173.5	-65.5	175.9	0	0	0	108.5	S50 L52 A76 F84 I334	S50-I81 WeakPolarHBondContact OG-CA 3.48Å; L52-I81 HydrophobicContact CB-CD1 4.05Å; L52-I81 HydrophobicContact CB-CG1 4.32Å; L52-I81 WeakPolarHBondContact O-CG2 3.41Å; A76-I81 HydrophobicContact CB-CB 4.01Å; A76-I81 HydrophobicContact CB-CD1 3.98Å; A76-I81 HydrophobicContact CB-CG1 4.5Å; A76-I81 HydrophobicContact CB-CG2 4.26Å; A76-I81 VanDerWaalsContact O-CB 3.28Å; A76-I81 WeakPolarHBondContact O-CB 3.47Å; A76-I81 PolarHBondContact O-N 3.3Å; I81-F84 HydrophobicContact CG2-CE1 4.46Å; I81-F84 HydrophobicContact CG2-CZ 4.29Å; I81-F84 WeakPolarHBondContact O-CZ 3.11Å; I81-I334 HydrophobicContact CD1-CD1 4.19Å; I81-I334 HydrophobicContact CD1-CG1 4.16Å
82	N	98.8	Very high	98.6	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.123	14%	0.135	C	C	.	.			trans	-104.7	-14.9	176.6	74.2	-12.1	0	0	0	112.8	Y39 R48 V49 S50 G80 F84 V114	Y39-N82 HydrophobicContact CE1-CB 4.49Å; R48-N82 PolarHBondContact O-ND2 3.21Å; V49-N82 WeakPolarHBondContact CA-OD1 3.38Å; S50-N82 PolarHBondContact N-OD1 2.87Å; S50-N82 PolarHBondContact OG-N 2.95Å; S50-N82 PolarHBondContact OG-OD1 3.36Å; G80-N82 PolarHBondContact O-N 3.19Å; N82-F84 WeakPolarHBondContact O-CD2 3.37Å; N82-V114 WeakPolarHBondContact O-CA 3.17Å; N82-V114 PolarHBondContact O-N 2.92Å
83	L	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	-175.2	175.7	64.8	0	0	0	111.9	V49 G53 L54 V114 T116 M241 S319 L321	V49-L83 HydrophobicContact CB-CB 4.45Å; V49-L83 HydrophobicContact CB-CD2 4.41Å; V49-L83 HydrophobicContact CG1-CD1 4.44Å; G53-L83 CarbonylContact C-O 3.52Å; G53-L83 VanDerWaalsContact CA-O 3.22Å; G53-L83 WeakPolarHBondContact CA-O 3.33Å; L54-L83 PolarHBondContact N-O 2.77Å; L83-V114 WeakPolarHBondContact CA-O 3.28Å; L83-V114 HydrophobicContact CD1-CB 4.27Å; L83-V114 HydrophobicContact CD1-CG1 3.77Å; L83-T116 HydrophobicContact CD1-CG2 3.8Å; L83-M241 HydrophobicContact CD1-CE 3.74Å; L83-M241 HydrophobicContact CD1-SD 4.36Å; L83-M241 HydrophobicContact CD2-CE 3.59Å; L83-M241 HydrophobicContact CD2-CG 4.31Å; L83-M241 HydrophobicContact CD2-SD 3.91Å; L83-M241 HydrophobicContact CG-CE 4.31Å; L83-S319 WeakPolarHBondContact CD2-OG 3.36Å; L83-L321 HydrophobicContact CD2-CD2 3.82Å; L83-L321 HydrophobicContact CG-CD2 4.12Å
84	F	98.9	Very high	98.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.8	176.9	-56.4	-88.1	0	0	0	110.4	L54 M73 A76 Y77 I81 N82 L99 L113 V114 I115 T116	L54-F84 HydrophobicContact CB-CD1 3.98Å; L54-F84 HydrophobicContact CB-CE1 4.22Å; L54-F84 HydrophobicContact CD2-CD1 4.35Å; L54-F84 HydrophobicContact CD2-CE1 4.29Å; L54-F84 WeakPolarHBondContact O-CA 3.2Å; M73-F84 HydrophobicContact CE-CB 4.49Å; M73-F84 HydrophobicContact CE-CD1 3.79Å; M73-F84 HydrophobicContact CE-CD2 3.96Å; M73-F84 HydrophobicContact CE-CE1 3.96Å; M73-F84 HydrophobicContact CE-CE2 4.12Å; M73-F84 HydrophobicContact CE-CG 3.8Å; M73-F84 HydrophobicContact CE-CZ 4.12Å; M73-F84 HydrophobicContact CG-CD1 3.85Å; M73-F84 HydrophobicContact CG-CE1 3.48Å; M73-F84 VanDerWaalsContact CG-CE1 3.48Å; M73-F84 HydrophobicContact CG-CZ 4.12Å; A76-F84 HydrophobicContact CB-CE1 3.97Å; A76-F84 HydrophobicContact CB-CZ 4.36Å; Y77-F84 HydrophobicContact CD2-CE2 4.44Å; Y77-F84 HydrophobicContact CD2-CZ 4.48Å; I81-F84 HydrophobicContact CG2-CE1 4.46Å; I81-F84 HydrophobicContact CG2-CZ 4.29Å; I81-F84 WeakPolarHBondContact O-CZ 3.11Å; N82-F84 WeakPolarHBondContact O-CD2 3.37Å; F84-L99 HydrophobicContact CB-CD1 4.41Å; F84-L113 HydrophobicContact CD2-CD2 3.98Å; F84-L113 HydrophobicContact CE2-CD2 3.54Å; F84-V114 PolarHBondContact N-O 3.32Å; F84-I115 HydrophobicContact CB-CD1 3.9Å; F84-I115 HydrophobicContact CD2-CD1 4.05Å; F84-I115 HydrophobicContact CG-CD1 4.35Å; F84-T116 PolarHBondContact O-N 2.9Å; F84-T116 PolarHBondContact O-OG1 3.39Å
85	D	98.9	Very high	98.6	Very high	6 Å²	6	28 Å²	28	3%	0.032	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.6	-169.9	172.6	83.7	0	0	0	112.1	L54 G55 T56 T116 K118 Q214 L321	L54-D85 PolarHBondContact O-N 3.49Å; G55-D85 CarbonylContact C-O 3.56Å; G55-D85 WeakPolarHBondContact CA-O 3.43Å; T56-D85 WeakPolarHBondContact CG2-O 3.46Å; T56-D85 PolarHBondContact N-O 2.91Å; T56-D85 PolarHBondContact OG1-O 3.22Å; T56-D85 VanDerWaalsContact OG1-O 3.1Å; D85-T116 WeakPolarHBondContact CA-OG1 3.33Å; D85-T116 WeakPolarHBondContact CB-OG1 3.3Å; D85-T116 PolarHBondContact OD1-OG1 3.1Å; D85-K118 IonicContact OD1-NZ 2.86Å; D85-K118 PolarHBondContact OD1-NZ 2.88Å; D85-K118 IonicContact OD2-NZ 2.73Å; D85-K118 PolarHBondContact OD2-NZ 3.44Å; D85-Q214 PolarHBondContact OD1-NE2 2.95Å; D85-L321 HydrophobicContact CB-CD1 3.83Å; D85-L321 HydrophobicContact CB-CD2 3.76Å; D85-L321 HydrophobicContact CB-CG 4.44Å
86	T	98.9	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.			trans	-140.6	-173.3	178.3	-165.3	0	0	0	0	111.4	T56 E96 L99 T116 T117 K118 L147	T56-T86 VanDerWaalsContact OG1-CA 3.29Å; T56-T86 WeakPolarHBondContact OG1-CA 3.29Å; T56-T86 VanDerWaalsContact OG1-CB 3.27Å; T56-T86 WeakPolarHBondContact OG1-CB 3.46Å; T56-T86 PolarHBondContact OG1-OG1 3.24Å; T86-E96 HydrophobicContact CG2-CG 3.6Å; T86-L99 HydrophobicContact CG2-CD2 3.93Å; T86-T116 PolarHBondContact N-O 3.27Å; T86-T117 WeakPolarHBondContact O-CA 3.1Å; T86-K118 WeakPolarHBondContact O-CG 3.37Å; T86-K118 PolarHBondContact O-N 3.09Å; T86-K118 PolarHBondContact O-NZ 2.98Å; T86-L147 HydrophobicContact CG2-CD2 4.37Å
87	A	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.			trans	-158.6	153.4	172	0	0	0	0	0	110.4	V89 Y90 T117 K118	A87-V89 HydrophobicContact CB-CG1 4.24Å; A87-V89 PolarHBondContact O-N 3.06Å; A87-V89 VanDerWaalsContact O-N 3.12Å; A87-Y90 HydrophobicContact CB-CD1 3.82Å; A87-Y90 HydrophobicContact CB-CD2 3.86Å; A87-Y90 HydrophobicContact CB-CE1 3.74Å; A87-Y90 HydrophobicContact CB-CE2 3.77Å; A87-Y90 HydrophobicContact CB-CG 3.87Å; A87-Y90 VanDerWaalsContact N-CD2 3.34Å; A87-Y90 WeakPolarHBondContact O-CB 3.37Å; A87-Y90 PolarHBondContact O-N 3.47Å; A87-T117 WeakPolarHBondContact CA-OG1 3.4Å; A87-K118 HydrophobicContact CB-CB 3.93Å; A87-K118 HydrophobicContact CB-CG 4.17Å
88	E	98.8	Very high	98.6	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.023	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.7	178.3	64.2	176.6	168.2	0	0	112.8	Y90 G93 E96 K118 I119 F120 W121 G122 H135	E88-Y90 VanDerWaalsContact C-N 3.34Å; E88-Y90 PolarHBondContact O-N 3.02Å; E88-G93 WeakPolarHBondContact O-CA 3.47Å; E88-G93 PolarHBondContact O-N 2.87Å; E88-E96 PolarHBondContact N-OE1 2.98Å; E88-K118 PolarHBondContact N-O 2.94Å; E88-I119 HydrophobicContact CB-CD1 4.41Å; E88-I119 HydrophobicContact CG-CD1 4.3Å; E88-I119 WeakPolarHBondContact OE1-CA 3.28Å; E88-F120 PolarHBondContact OE1-N 3.24Å; E88-W121 WeakPolarHBondContact CG-O 3.21Å; E88-W121 VanDerWaalsContact OE1-C 3.29Å; E88-W121 PolarHBondContact OE1-N 2.91Å; E88-G122 VanDerWaalsContact CD-CA 3.49Å; E88-G122 PolarHBondContact OE1-N 2.87Å; E88-G122 VanDerWaalsContact OE2-CA 3.24Å; E88-G122 WeakPolarHBondContact OE2-CA 3.24Å; E88-H135 IonicContact OE1-CD2 3.41Å; E88-H135 IonicContact OE1-CE1 3.18Å; E88-H135 IonicContact OE1-NE2 3.23Å; E88-H135 PolarHBondContact OE1-NE2 3.13Å; E88-H135 IonicContact OE2-CE1 3.69Å; E88-H135 IonicContact OE2-NE2 2.77Å; E88-H135 PolarHBondContact OE2-NE2 3.31Å
89	V	98.7	Very high	98.6	Very high	54 Å²	54	22.3 Å²	22.3	33%	0.327	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.8	-177.7	75.5	0	0	0	0	112.9	A87 A91 A92 W121	A87-V89 HydrophobicContact CB-CG1 4.24Å; A87-V89 PolarHBondContact O-N 3.06Å; A87-V89 VanDerWaalsContact O-N 3.12Å; V89-A91 PolarHBondContact O-N 3.42Å; V89-A91 VanDerWaalsContact O-N 3.12Å; V89-A92 PolarHBondContact O-N 2.76Å; V89-A92 VanDerWaalsContact O-N 3.1Å; V89-W121 HydrophobicContact CB-CB 3.95Å; V89-W121 HydrophobicContact CB-CE3 4.36Å; V89-W121 HydrophobicContact CG1-CE3 4.12Å; V89-W121 HydrophobicContact CG2-CB 3.63Å; V89-W121 HydrophobicContact CG2-CD2 4.5Å; V89-W121 HydrophobicContact CG2-CE3 4.37Å; V89-W121 HydrophobicContact CG2-CG 4.28Å
90	Y	98.5	Very high	98.7	Very high	24 Å²	24	21.6 Å²	21.6	9%	0.094	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	115	-173.7	-67.6	-7.2	0	0	0	110.6	T56 W57 A87 E88 A92 G93 A95 K118	T56-Y90 WeakPolarHBondContact OG1-CD2 3.28Å; W57-Y90 HydrophobicContact CB-CD1 4.44Å; W57-Y90 HydrophobicContact CB-CD2 4.06Å; W57-Y90 HydrophobicContact CB-CE1 4.07Å; W57-Y90 HydrophobicContact CB-CE2 3.64Å; W57-Y90 HydrophobicContact CB-CG 4.45Å; W57-Y90 AromaticContact CD1-CD1 3.54Å; W57-Y90 AromaticContact CD1-CE1 3.43Å; W57-Y90 VanDerWaalsContact CD1-CE1 3.43Å; W57-Y90 AromaticContact CD1-CZ 3.96Å; W57-Y90 HydrophobicContact CG-CD1 4.28Å; W57-Y90 AromaticContact CG-CE1 3.88Å; W57-Y90 HydrophobicContact CG-CE1 3.88Å; W57-Y90 HydrophobicContact CG-CE2 4.36Å; W57-Y90 AromaticContact CG-CZ 3.93Å; A87-Y90 HydrophobicContact CB-CD1 3.82Å; A87-Y90 HydrophobicContact CB-CD2 3.86Å; A87-Y90 HydrophobicContact CB-CE1 3.74Å; A87-Y90 HydrophobicContact CB-CE2 3.77Å; A87-Y90 HydrophobicContact CB-CG 3.87Å; A87-Y90 VanDerWaalsContact N-CD2 3.34Å; A87-Y90 WeakPolarHBondContact O-CB 3.37Å; A87-Y90 PolarHBondContact O-N 3.47Å; E88-Y90 VanDerWaalsContact C-N 3.34Å; E88-Y90 PolarHBondContact O-N 3.02Å; Y90-A92 PolarHBondContact O-N 3.5Å; Y90-G93 PolarHBondContact O-N 3.49Å; Y90-A95 WeakPolarHBondContact O-CB 3.41Å; Y90-A95 PolarHBondContact O-N 3.4Å; Y90-K118 WeakPolarHBondContact OH-CE 3.39Å; Y90-K118 PolarHBondContact OH-NZ 3.19Å
91	A	97.6	Very high	98.7	Very high	44 Å²	44	24.7 Å²	24.7	36%	0.364	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	36	-171.7	0	0	0	0	0	112.8	G61 V89 G93 K94	G61-A91 WeakPolarHBondContact O-CB 3.41Å; V89-A91 PolarHBondContact O-N 3.42Å; V89-A91 VanDerWaalsContact O-N 3.12Å; A91-G93 PolarHBondContact O-N 2.84Å; A91-K94 HydrophobicContact CB-CB 3.93Å; A91-K94 WeakPolarHBondContact O-CB 3.38Å; A91-K94 WeakPolarHBondContact O-CG 3.41Å; A91-K94 PolarHBondContact O-N 3.37Å
92	A	98.1	Very high	98.7	Very high	93 Å²	93	24.9 Å²	24.9	77%	0.769	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	52.7	-176.4	0	0	0	0	0	112.6	V89 Y90 K94	V89-A92 PolarHBondContact O-N 2.76Å; V89-A92 VanDerWaalsContact O-N 3.1Å; Y90-A92 PolarHBondContact O-N 3.5Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 2.79Å
93	G	98.4	Very high	98.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-14.2	179.8	0	0	0	0	0	115.1	E88 Y90 A91 A95 E96 V97	E88-G93 WeakPolarHBondContact O-CA 3.47Å; E88-G93 PolarHBondContact O-N 2.87Å; Y90-G93 PolarHBondContact O-N 3.49Å; A91-G93 PolarHBondContact O-N 2.84Å; G93-A95 VanDerWaalsContact C-N 3.29Å; G93-A95 PolarHBondContact O-N 3.44Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.11Å; G93-E96 VanDerWaalsContact O-N 3.14Å; G93-V97 PolarHBondContact O-N 2.61Å
94	K	98.7	Very high	98.7	Very high	131 Å²	131	31.2 Å²	31.2	57%	0.57	18%	0.175	S	C	*	.	H	α-helix	trans	-63.4	-33.4	-178.6	-67	-178.3	-180	-173.6	0	113.1	A91 A92 E96 V97 V98	A91-K94 HydrophobicContact CB-CB 3.93Å; A91-K94 WeakPolarHBondContact O-CB 3.38Å; A91-K94 WeakPolarHBondContact O-CG 3.41Å; A91-K94 PolarHBondContact O-N 3.37Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 2.79Å; K94-E96 PolarHBondContact O-N 2.67Å; K94-V97 PolarHBondContact O-N 2.76Å; K94-V98 WeakPolarHBondContact O-CG2 3.41Å; K94-V98 PolarHBondContact O-N 3.12Å
95	A	98.8	Very high	98.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-36.4	177	0	0	0	0	0	112.1	F60 Y90 G93 L99	F60-A95 HydrophobicContact CB-CB 4.04Å; F60-A95 WeakPolarHBondContact O-CB 3.47Å; Y90-A95 WeakPolarHBondContact O-CB 3.41Å; Y90-A95 PolarHBondContact O-N 3.4Å; G93-A95 VanDerWaalsContact C-N 3.29Å; G93-A95 PolarHBondContact O-N 3.44Å; A95-L99 VanDerWaalsContact O-CB 3.31Å; A95-L99 WeakPolarHBondContact O-CB 3.32Å; A95-L99 PolarHBondContact O-N 2.89Å
96	E	98.9	Very high	98.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.4	-41.4	175.1	-72.3	178.2	147.1	0	0	112.1	T86 E88 G93 K94 L99 G100 T117 S143 R146 L147	T86-E96 HydrophobicContact CG2-CG 3.6Å; E88-E96 PolarHBondContact N-OE1 2.98Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.11Å; G93-E96 VanDerWaalsContact O-N 3.14Å; K94-E96 PolarHBondContact O-N 2.67Å; E96-L99 PolarHBondContact O-N 2.74Å; E96-G100 PolarHBondContact O-N 3.09Å; E96-T117 PolarHBondContact OE1-OG1 3.46Å; E96-S143 VanDerWaalsContact OE1-CB 3.3Å; E96-S143 WeakPolarHBondContact OE1-CB 3.5Å; E96-S143 PolarHBondContact OE1-OG 3.18Å; E96-R146 HydrophobicContact CB-CB 3.91Å; E96-R146 IonicContact OE2-CZ 3.56Å; E96-R146 IonicContact OE2-NE 3.43Å; E96-R146 PolarHBondContact OE2-NE 3.19Å; E96-R146 IonicContact OE2-NH2 2.85Å; E96-R146 PolarHBondContact OE2-NH2 3.07Å; E96-L147 HydrophobicContact CB-CD2 4.02Å; E96-L147 HydrophobicContact CB-CG 4Å; E96-L147 HydrophobicContact CG-CD2 4.24Å; E96-L147 HydrophobicContact CG-CG 4.22Å; E96-L147 WeakPolarHBondContact O-CD2 3.46Å
97	V	98.9	Very high	98.7	Very high	55 Å²	55	44 Å²	44	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-47.6	175.2	176.5	0	0	0	0	111.1	G93 K94 G100 N101 R146	G93-V97 PolarHBondContact O-N 2.61Å; K94-V97 PolarHBondContact O-N 2.76Å; V97-G100 PolarHBondContact O-N 2.72Å; V97-N101 WeakPolarHBondContact O-CB 3.47Å; V97-N101 PolarHBondContact O-N 2.85Å; V97-N101 PolarHBondContact O-ND2 2.96Å; V97-R146 WeakPolarHBondContact CA-O 3.45Å; V97-R146 HydrophobicContact CG2-CB 3.84Å; V97-R146 HydrophobicContact CG2-CG 3.91Å
98	V	98.9	Very high	98.6	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-47.3	178.4	175.6	0	0	0	0	110.8	F60 D66 A69 K94 G100 N101 I102	F60-V98 HydrophobicContact CB-CB 4.42Å; F60-V98 HydrophobicContact CB-CG1 4.35Å; F60-V98 HydrophobicContact CD2-CB 4.31Å; F60-V98 HydrophobicContact CD2-CG1 3.74Å; F60-V98 HydrophobicContact CE2-CG1 4.46Å; F60-V98 HydrophobicContact CG-CG1 4.38Å; D66-V98 HydrophobicContact CB-CG1 4.42Å; D66-V98 WeakPolarHBondContact OD1-CG2 3.37Å; A69-V98 HydrophobicContact CB-CG1 3.68Å; K94-V98 WeakPolarHBondContact O-CG2 3.41Å; K94-V98 PolarHBondContact O-N 3.12Å; V98-G100 PolarHBondContact O-N 2.78Å; V98-N101 PolarHBondContact O-N 3.34Å; V98-I102 HydrophobicContact CG1-CD1 3.84Å; V98-I102 WeakPolarHBondContact O-CD1 3.42Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 2.96Å
99	L	98.9	Very high	98.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-46.6	178	-178.8	60.3	0	0	0	111.7	T56 M73 F84 T86 A95 E96 I102 I103 I115 L147	T56-L99 HydrophobicContact CG2-CD2 4.5Å; M73-L99 HydrophobicContact CE-CD1 3.48Å; M73-L99 VanDerWaalsContact CE-CD1 3.48Å; M73-L99 HydrophobicContact SD-CD1 3.46Å; M73-L99 WeakPolarHBondContact SD-CD1 3.45Å; F84-L99 HydrophobicContact CB-CD1 4.41Å; T86-L99 HydrophobicContact CG2-CD2 3.93Å; A95-L99 VanDerWaalsContact O-CB 3.31Å; A95-L99 WeakPolarHBondContact O-CB 3.32Å; A95-L99 PolarHBondContact O-N 2.89Å; E96-L99 PolarHBondContact O-N 2.74Å; L99-I102 PolarHBondContact O-N 3.37Å; L99-I103 HydrophobicContact CD1-CD1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.11Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 3.1Å; L99-I115 HydrophobicContact CD2-CG2 4.39Å; L99-L147 HydrophobicContact CB-CD2 4.19Å; L99-L147 HydrophobicContact CD2-CD2 3.91Å; L99-L147 HydrophobicContact CG-CD2 4.13Å
100	G	98.9	Very high	98.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-44.2	177.3	0	0	0	0	0	113.2	E96 V97 V98 I102 I103 K104 L147	E96-G100 PolarHBondContact O-N 3.09Å; V97-G100 PolarHBondContact O-N 2.72Å; V98-G100 PolarHBondContact O-N 2.78Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.49Å; G100-I103 PolarHBondContact O-N 3.45Å; G100-K104 WeakPolarHBondContact O-CB 3.37Å; G100-K104 PolarHBondContact O-N 3.08Å; G100-L147 WeakPolarHBondContact CA-O 3.47Å
101	N	98.9	Very high	98.6	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-43.1	175.9	-75.1	-18.4	0	0	0	112.1	V97 V98 K104 K105 Q148	V97-N101 WeakPolarHBondContact O-CB 3.47Å; V97-N101 PolarHBondContact O-N 2.85Å; V97-N101 PolarHBondContact O-ND2 2.96Å; V98-N101 PolarHBondContact O-N 3.34Å; N101-K104 PolarHBondContact O-N 3.19Å; N101-K105 WeakPolarHBondContact O-CB 3.37Å; N101-K105 PolarHBondContact O-N 3.33Å; N101-Q148 PolarHBondContact OD1-NE2 3.42Å
102	I	98.9	Very high	98.7	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-48.8	177.3	-64.6	159.1	0	0	0	110.3	F60 A69 E70 M73 V98 L99 G100 K104 K105 K106 W108	F60-I102 HydrophobicContact CD2-CD1 4.42Å; F60-I102 HydrophobicContact CE2-CD1 3.85Å; A69-I102 HydrophobicContact CB-CD1 3.99Å; E70-I102 HydrophobicContact CB-CD1 4.22Å; E70-I102 HydrophobicContact CB-CG1 3.96Å; E70-I102 HydrophobicContact CG-CG1 4.41Å; E70-I102 HydrophobicContact CG-CG2 4.25Å; M73-I102 HydrophobicContact CB-CG2 4.13Å; M73-I102 HydrophobicContact CG-CG2 4.27Å; M73-I102 HydrophobicContact SD-CB 3.91Å; M73-I102 HydrophobicContact SD-CD1 4.42Å; M73-I102 HydrophobicContact SD-CG2 3.45Å; M73-I102 WeakPolarHBondContact SD-CG2 3.49Å; V98-I102 HydrophobicContact CG1-CD1 3.84Å; V98-I102 WeakPolarHBondContact O-CD1 3.42Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 2.96Å; L99-I102 PolarHBondContact O-N 3.37Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.49Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 3.39Å; I102-K105 PolarHBondContact O-N 3.32Å; I102-K106 HydrophobicContact CG2-CG 3.89Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 WeakPolarHBondContact O-CG 3.39Å; I102-K106 PolarHBondContact O-N 3.45Å; I102-W108 HydrophobicContact CG2-CH2 4.4Å; I102-W108 HydrophobicContact CG2-CZ3 4.15Å
103	I	98.8	Very high	98.7	Very high	12 Å²	12	52 Å²	52	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-48.6	179.1	-68	165.4	0	0	0	110.5	M73 L99 G100 G107 L113 I115 L149	M73-I103 HydrophobicContact CE-CD1 4.2Å; M73-I103 HydrophobicContact CE-CG1 3.67Å; M73-I103 HydrophobicContact SD-CG1 4.43Å; L99-I103 HydrophobicContact CD1-CD1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.11Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 3.1Å; G100-I103 PolarHBondContact O-N 3.45Å; I103-G107 PolarHBondContact O-N 3.2Å; I103-G107 VanDerWaalsContact O-N 3.08Å; I103-L113 HydrophobicContact CD1-CD1 4.45Å; I103-L113 HydrophobicContact CG1-CD1 4.14Å; I103-L113 HydrophobicContact CG2-CD1 4Å; I103-I115 HydrophobicContact CD1-CD1 3.73Å; I103-I115 HydrophobicContact CD1-CG1 4.11Å; I103-L149 HydrophobicContact CD1-CD1 4.38Å; I103-L149 HydrophobicContact CG2-CD2 4.46Å
104	K	98.7	Very high	98.8	Very high	145 Å²	145	52.2 Å²	52.2	63%	0.63	26%	0.264	S	S	*	.	H	α-helix	trans	-62.8	-46.6	178.9	-174.2	176.5	-174.6	179.7	0	112.2	G100 N101 I102 G107	G100-K104 WeakPolarHBondContact O-CB 3.37Å; G100-K104 PolarHBondContact O-N 3.08Å; N101-K104 PolarHBondContact O-N 3.19Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 3.39Å; K104-G107 PolarHBondContact O-N 3.26Å
105	K	98.8	Very high	98.8	Very high	145 Å²	145	46 Å²	46	63%	0.63	24%	0.237	S	C	*	.	H	α-helix	trans	-63.8	-42.3	-179.8	-177.7	-175.5	177.9	-168.3	0	112.1	E70 N101 I102 G107	E70-K105 WeakPolarHBondContact OE1-CE 3.48Å; E70-K105 IonicContact OE1-NZ 3.43Å; E70-K105 PolarHBondContact OE1-NZ 3Å; E70-K105 WeakPolarHBondContact OE2-CD 3.34Å; E70-K105 IonicContact OE2-NZ 3.78Å; E70-K105 PolarHBondContact OE2-NZ 2.94Å; N101-K105 WeakPolarHBondContact O-CB 3.37Å; N101-K105 PolarHBondContact O-N 3.33Å; I102-K105 PolarHBondContact O-N 3.32Å; K105-G107 VanDerWaalsContact C-N 3.31Å
106	K	98.6	Very high	98.8	Very high	71 Å²	71	46 Å²	46	31%	0.309	24%	0.237	S	C	.	.	H	α-helix	trans	-76.6	-19.6	-178.2	-62.7	-62.6	-62.1	-162.7	0	112.8	E70 T74 I102 W108	E70-K106 HydrophobicContact CG-CD 4.47Å; T74-K106 PolarHBondContact OG1-NZ 3.18Å; I102-K106 HydrophobicContact CG2-CG 3.89Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 WeakPolarHBondContact O-CG 3.39Å; I102-K106 PolarHBondContact O-N 3.45Å; K106-W108 HydrophobicContact CB-CD2 3.64Å; K106-W108 HydrophobicContact CB-CE3 3.87Å; K106-W108 HydrophobicContact CB-CG 4.14Å; K106-W108 HydrophobicContact CB-CH2 4.1Å; K106-W108 HydrophobicContact CB-CZ2 3.89Å; K106-W108 HydrophobicContact CB-CZ3 4.08Å; K106-W108 HydrophobicContact CD-CH2 4.49Å; K106-W108 HydrophobicContact CD-CZ2 4.26Å; K106-W108 HydrophobicContact CG-CD2 4.38Å; K106-W108 HydrophobicContact CG-CE3 4.33Å; K106-W108 HydrophobicContact CG-CH2 3.75Å; K106-W108 HydrophobicContact CG-CZ2 3.8Å; K106-W108 HydrophobicContact CG-CZ3 4.01Å; K106-W108 PolarHBondContact O-N 3.35Å
107	G	98.3	Very high	98.8	Very high	61 Å²	61	46 Å²	46	63%	0.629	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	24.6	178	0	0	0	0	0	113.3	I103 K104 K105	I103-G107 PolarHBondContact O-N 3.2Å; I103-G107 VanDerWaalsContact O-N 3.08Å; K104-G107 PolarHBondContact O-N 3.26Å; K105-G107 VanDerWaalsContact C-N 3.31Å
108	W	98.4	Very high	98.8	Very high	38 Å²	38	43.4 Å²	43.4	14%	0.144	22%	0.221	C	C	.	.			trans	-63.6	143.3	175.6	-64.8	-40.5	0	0	0	109.9	M73 Y77 I102 K106 R110 L113	M73-W108 HydrophobicContact CE-CE3 4.31Å; M73-W108 HydrophobicContact CE-CZ3 3.77Å; M73-W108 HydrophobicContact CG-CH2 4.14Å; M73-W108 HydrophobicContact CG-CZ3 3.87Å; M73-W108 HydrophobicContact SD-CZ3 3.81Å; Y77-W108 AromaticContact CD1-CD1 3.88Å; Y77-W108 AromaticContact CD1-CD2 3.99Å; Y77-W108 HydrophobicContact CD1-CD2 3.99Å; Y77-W108 AromaticContact CD1-CE2 3.48Å; Y77-W108 VanDerWaalsContact CD1-CE2 3.48Å; Y77-W108 HydrophobicContact CD1-CG 4.2Å; Y77-W108 AromaticContact CD1-CZ2 3.89Å; Y77-W108 HydrophobicContact CD1-CZ2 3.89Å; Y77-W108 AromaticContact CD1-NE1 3.41Å; Y77-W108 HydrophobicContact CD2-CD2 4.19Å; Y77-W108 HydrophobicContact CD2-CE3 4.37Å; Y77-W108 AromaticContact CE1-CD1 3.44Å; Y77-W108 VanDerWaalsContact CE1-CD1 3.44Å; Y77-W108 HydrophobicContact CE1-CD2 4.14Å; Y77-W108 AromaticContact CE1-CE2 3.91Å; Y77-W108 AromaticContact CE1-CG 3.86Å; Y77-W108 HydrophobicContact CE1-CG 3.86Å; Y77-W108 AromaticContact CE1-NE1 3.45Å; Y77-W108 HydrophobicContact CE2-CB 4.4Å; Y77-W108 HydrophobicContact CE2-CD2 4.33Å; Y77-W108 HydrophobicContact CE2-CG 4.19Å; Y77-W108 HydrophobicContact CG-CD2 4Å; Y77-W108 AromaticContact CG-CE2 3.77Å; Y77-W108 HydrophobicContact CG-CE3 4.37Å; Y77-W108 HydrophobicContact CG-CH2 4.32Å; Y77-W108 AromaticContact CG-CZ2 3.93Å; Y77-W108 HydrophobicContact CG-CZ2 3.93Å; Y77-W108 AromaticContact CZ-CD1 3.83Å; Y77-W108 AromaticContact CZ-CG 3.84Å; I102-W108 HydrophobicContact CG2-CH2 4.4Å; I102-W108 HydrophobicContact CG2-CZ3 4.15Å; K106-W108 HydrophobicContact CB-CD2 3.64Å; K106-W108 HydrophobicContact CB-CE3 3.87Å; K106-W108 HydrophobicContact CB-CG 4.14Å; K106-W108 HydrophobicContact CB-CH2 4.1Å; K106-W108 HydrophobicContact CB-CZ2 3.89Å; K106-W108 HydrophobicContact CB-CZ3 4.08Å; K106-W108 HydrophobicContact CD-CH2 4.49Å; K106-W108 HydrophobicContact CD-CZ2 4.26Å; K106-W108 HydrophobicContact CG-CD2 4.38Å; K106-W108 HydrophobicContact CG-CE3 4.33Å; K106-W108 HydrophobicContact CG-CH2 3.75Å; K106-W108 HydrophobicContact CG-CZ2 3.8Å; K106-W108 HydrophobicContact CG-CZ3 4.01Å; K106-W108 PolarHBondContact O-N 3.35Å; W108-R110 PolarHBondContact O-N 3.02Å; W108-L113 HydrophobicContact CB-CD1 4.24Å; W108-L113 HydrophobicContact CE3-CD2 4.46Å
109	R	98.6	Very high	98.8	Very high	166 Å²	166	43.1 Å²	43.1	63%	0.626	22%	0.219	S	C	*	.			trans	-60.9	125.8	178.1	-64.8	-169.5	-59.8	-88.4	0.5	108.8	S111 S112	R109-S111 PolarHBondContact O-N 2.82Å; R109-S112 PolarHBondContact O-N 3.17Å; R109-S112 PolarHBondContact O-OG 2.92Å
110	R	98.8	Very high	98.8	Very high	46 Å²	46	43.9 Å²	43.9	17%	0.174	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-53.7	-32.9	176.6	178.1	58.6	-173.4	90.7	-7	112.5	W108 S112 L113 Y151 D153	W108-R110 PolarHBondContact O-N 3.02Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 3.4Å; R110-L113 PolarHBondContact NH1-O 3.23Å; R110-L113 VanDerWaalsContact NH1-O 3.09Å; R110-L113 PolarHBondContact O-N 3.48Å; R110-Y151 HydrophobicContact CG-CE1 4.34Å; R110-Y151 PolarHBondContact NH2-O 3.3Å; R110-D153 IonicContact CZ-OD2 2.95Å; R110-D153 IonicContact NH1-OD1 3.64Å; R110-D153 IonicContact NH1-OD2 3.22Å; R110-D153 PolarHBondContact NH1-OD2 2.86Å; R110-D153 IonicContact NH2-OD1 2.65Å; R110-D153 IonicContact NH2-OD2 3.61Å; R110-D153 PolarHBondContact NH2-OD2 3.4Å
111	S	98.6	Very high	98.8	Very high	101 Å²	101	47.7 Å²	47.7	71%	0.706	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-72.5	-11.3	178.4	56.7	0	0	0	0	115.4	R109	R109-S111 PolarHBondContact O-N 2.82Å
112	S	98.6	Very high	98.7	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-97.1	-0.8	172.7	59.3	0	0	0	0	113.6	Y77 R109 R110	Y77-S112 PolarHBondContact OH-OG 3.08Å; R109-S112 PolarHBondContact O-N 3.17Å; R109-S112 PolarHBondContact O-OG 2.92Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 3.4Å
113	L	98.9	Very high	98.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.253	C	S	.	.			trans	-109.9	145.6	-179.1	-64.3	170.9	0	0	0	110.6	Y77 F84 I103 W108 R110 I115	Y77-L113 HydrophobicContact CD2-CD2 3.58Å; Y77-L113 HydrophobicContact CE2-CD2 3.54Å; Y77-L113 HydrophobicContact CE2-CG 4.33Å; F84-L113 HydrophobicContact CD2-CD2 3.98Å; F84-L113 HydrophobicContact CE2-CD2 3.54Å; I103-L113 HydrophobicContact CD1-CD1 4.45Å; I103-L113 HydrophobicContact CG1-CD1 4.14Å; I103-L113 HydrophobicContact CG2-CD1 4Å; W108-L113 HydrophobicContact CB-CD1 4.24Å; W108-L113 HydrophobicContact CE3-CD2 4.46Å; R110-L113 PolarHBondContact NH1-O 3.23Å; R110-L113 VanDerWaalsContact NH1-O 3.09Å; R110-L113 PolarHBondContact O-N 3.48Å; L113-I115 HydrophobicContact CB-CD1 4.04Å; L113-I115 HydrophobicContact CB-CG1 4.21Å; L113-I115 HydrophobicContact CD1-CD1 4.44Å
114	V	98.9	Very high	98.6	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	99.5	166.5	-177.9	0	0	0	0	107.5	L47 V49 N82 L83 F84 T116 D153	L47-V114 HydrophobicContact CD1-CG1 4.42Å; L47-V114 HydrophobicContact CD1-CG2 3.99Å; L47-V114 HydrophobicContact CD2-CG1 4.04Å; V49-V114 HydrophobicContact CG1-CG1 4.07Å; V49-V114 HydrophobicContact CG1-CG2 4.37Å; N82-V114 WeakPolarHBondContact O-CA 3.17Å; N82-V114 PolarHBondContact O-N 2.92Å; L83-V114 WeakPolarHBondContact CA-O 3.28Å; L83-V114 HydrophobicContact CD1-CB 4.27Å; L83-V114 HydrophobicContact CD1-CG1 3.77Å; F84-V114 PolarHBondContact N-O 3.32Å; V114-T116 HydrophobicContact CG1-CG2 4.29Å; V114-D153 VanDerWaalsContact CA-OD2 3.32Å; V114-D153 WeakPolarHBondContact CA-OD2 3.21Å; V114-D153 HydrophobicContact CG1-CB 3.77Å
115	I	98.9	Very high	98.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.8	179.6	-53.5	-54.8	0	0	0	109.1	F84 L99 I103 L113 L149 V152 D153 V154	F84-I115 HydrophobicContact CB-CD1 3.9Å; F84-I115 HydrophobicContact CD2-CD1 4.05Å; F84-I115 HydrophobicContact CG-CD1 4.35Å; L99-I115 HydrophobicContact CD2-CG2 4.39Å; I103-I115 HydrophobicContact CD1-CD1 3.73Å; I103-I115 HydrophobicContact CD1-CG1 4.11Å; L113-I115 HydrophobicContact CB-CD1 4.04Å; L113-I115 HydrophobicContact CB-CG1 4.21Å; L113-I115 HydrophobicContact CD1-CD1 4.44Å; I115-L149 HydrophobicContact CB-CD1 4.29Å; I115-L149 HydrophobicContact CG1-CD1 4.11Å; I115-L149 HydrophobicContact CG2-CD1 4.03Å; I115-V152 HydrophobicContact CG2-CG1 4.28Å; I115-D153 PolarHBondContact N-OD2 3.28Å; I115-D153 PolarHBondContact O-N 3.46Å; I115-V154 PolarHBondContact O-N 3.41Å
116	T	98.9	Very high	98.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.9	178.6	63.9	0	0	0	0	110.7	L83 F84 D85 T86 V114 V154 F156	L83-T116 HydrophobicContact CD1-CG2 3.8Å; F84-T116 PolarHBondContact O-N 2.9Å; F84-T116 PolarHBondContact O-OG1 3.39Å; D85-T116 WeakPolarHBondContact CA-OG1 3.33Å; D85-T116 WeakPolarHBondContact CB-OG1 3.3Å; D85-T116 PolarHBondContact OD1-OG1 3.1Å; T86-T116 PolarHBondContact N-O 3.27Å; V114-T116 HydrophobicContact CG1-CG2 4.29Å; T116-V154 VanDerWaalsContact CA-O 3.25Å; T116-V154 WeakPolarHBondContact CA-O 3.33Å; T116-V154 HydrophobicContact CG2-CB 3.69Å; T116-V154 HydrophobicContact CG2-CG2 3.9Å; T116-F156 HydrophobicContact CG2-CE2 4.08Å
117	T	98.9	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	165.5	172.5	-165.9	0	0	0	0	110.5	T86 A87 E96 L140 V152 V154 F156	T86-T117 WeakPolarHBondContact O-CA 3.1Å; A87-T117 WeakPolarHBondContact CA-OG1 3.4Å; E96-T117 PolarHBondContact OE1-OG1 3.46Å; T117-L140 HydrophobicContact CG2-CD1 3.92Å; T117-V152 HydrophobicContact CG2-CG1 3.98Å; T117-V152 HydrophobicContact CG2-CG2 4.33Å; T117-V154 PolarHBondContact N-O 3.09Å; T117-F156 PolarHBondContact O-N 2.88Å
118	K	98.9	Very high	98.6	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.8	-177.8	-34.4	-170.2	-113.1	-49.5	0	111.1	D85 T86 A87 E88 Y90 F156 N158	D85-K118 IonicContact OD1-NZ 2.86Å; D85-K118 PolarHBondContact OD1-NZ 2.88Å; D85-K118 IonicContact OD2-NZ 2.73Å; D85-K118 PolarHBondContact OD2-NZ 3.44Å; T86-K118 WeakPolarHBondContact O-CG 3.37Å; T86-K118 PolarHBondContact O-N 3.09Å; T86-K118 PolarHBondContact O-NZ 2.98Å; A87-K118 HydrophobicContact CB-CB 3.93Å; A87-K118 HydrophobicContact CB-CG 4.17Å; E88-K118 PolarHBondContact N-O 2.94Å; Y90-K118 WeakPolarHBondContact OH-CE 3.39Å; Y90-K118 PolarHBondContact OH-NZ 3.19Å; K118-F156 CarbonylContact C-O 3.53Å; K118-F156 VanDerWaalsContact CA-O 3.26Å; K118-F156 WeakPolarHBondContact CA-O 3.48Å; K118-F156 HydrophobicContact CB-CB 4.04Å; K118-F156 HydrophobicContact CD-CB 4.21Å; K118-F156 HydrophobicContact CG-CB 3.82Å; K118-F156 HydrophobicContact CG-CD2 4.48Å; K118-F156 HydrophobicContact CG-CG 4.48Å; K118-N158 HydrophobicContact CB-CB 3.63Å; K118-N158 WeakPolarHBondContact CD-OD1 3.12Å
119	I	98.9	Very high	98.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.5	-176.6	-54.9	-57.7	0	0	0	109.6	E88 L140 V155 F156 N158	E88-I119 HydrophobicContact CB-CD1 4.41Å; E88-I119 HydrophobicContact CG-CD1 4.3Å; E88-I119 WeakPolarHBondContact OE1-CA 3.28Å; I119-L140 HydrophobicContact CD1-CB 4.43Å; I119-L140 HydrophobicContact CG1-CB 4.5Å; I119-V155 HydrophobicContact CG1-CG2 3.87Å; I119-F156 PolarHBondContact N-O 3.41Å; I119-N158 WeakPolarHBondContact O-CB 3.43Å; I119-N158 PolarHBondContact O-N 3.41Å
120	F	98.9	Very high	98.6	Very high	18 Å²	18	48.4 Å²	48.4	8%	0.079	26%	0.262	C	S	.	.	S	Bend	trans	-174.5	-31.7	163.5	-166.7	-83.9	0	0	0	112.4	E88 R129 G130 L131 N158 R159 P160 D161	E88-F120 PolarHBondContact OE1-N 3.24Å; F120-R129 CarbonylContact O-C 3.32Å; F120-R129 WeakPolarHBondContact O-CA 3.5Å; F120-R129 VanDerWaalsContact O-CB 3.32Å; F120-R129 WeakPolarHBondContact O-CB 3.35Å; F120-G130 PolarHBondContact O-N 2.89Å; F120-L131 HydrophobicContact CD2-CD2 4.15Å; F120-L131 HydrophobicContact CD2-CG 3.98Å; F120-L131 HydrophobicContact CE2-CG 4.31Å; F120-N158 HydrophobicContact CB-CB 3.78Å; F120-R159 HydrophobicContact CB-CG 4.27Å; F120-R159 HydrophobicContact CD1-CG 3.9Å; F120-R159 HydrophobicContact CD2-CG 3.28Å; F120-R159 HydrophobicContact CE1-CG 4.02Å; F120-R159 HydrophobicContact CE2-CG 3.39Å; F120-R159 HydrophobicContact CG-CG 3.54Å; F120-R159 HydrophobicContact CZ-CG 3.78Å; F120-P160 WeakPolarHBondContact CE2-O 3.41Å; F120-D161 HydrophobicContact CE2-CB 3.84Å
121	W	98.8	Very high	98.6	Very high	80 Å²	80	46.2 Å²	46.2	30%	0.303	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-131.1	86.9	-174.5	-62	-79	0	0	0	109.9	E88 V89 N158 R159	E88-W121 WeakPolarHBondContact CG-O 3.21Å; E88-W121 VanDerWaalsContact OE1-C 3.29Å; E88-W121 PolarHBondContact OE1-N 2.91Å; V89-W121 HydrophobicContact CB-CB 3.95Å; V89-W121 HydrophobicContact CB-CE3 4.36Å; V89-W121 HydrophobicContact CG1-CE3 4.12Å; V89-W121 HydrophobicContact CG2-CB 3.63Å; V89-W121 HydrophobicContact CG2-CD2 4.5Å; V89-W121 HydrophobicContact CG2-CE3 4.37Å; V89-W121 HydrophobicContact CG2-CG 4.28Å; W121-N158 HydrophobicContact CZ3-CB 4.27Å; W121-N158 WeakPolarHBondContact CZ3-ND2 3.32Å; W121-R159 HydrophobicContact CH2-CG 3.88Å; W121-R159 HydrophobicContact CZ2-CG 4.19Å; W121-R159 HydrophobicContact CZ3-CG 4.46Å
122	G	98.3	Very high	98.6	Very high	41 Å²	41	42.7 Å²	42.7	42%	0.423	23%	0.229	S	C	.	.			trans	-96.8	-14.5	-179.4	0	0	0	0	0	114.5	E88 E128	E88-G122 VanDerWaalsContact CD-CA 3.49Å; E88-G122 PolarHBondContact OE1-N 2.87Å; E88-G122 VanDerWaalsContact OE2-CA 3.24Å; E88-G122 WeakPolarHBondContact OE2-CA 3.24Å; G122-E128 WeakPolarHBondContact CA-O 3.48Å; G122-E128 PolarHBondContact N-O 3.05Å
123	G	96.9	Very high	98.6	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	24%	0.235	S	C	.	.			trans	-172.4	-166.3	-177.3	0	0	0	0	0	115	E128	G123-E128 VanDerWaalsContact C-OE2 3.27Å; G123-E128 VanDerWaalsContact CA-OE2 3.23Å; G123-E128 WeakPolarHBondContact CA-OE2 3.18Å; G123-E128 PolarHBondContact N-O 2.88Å; G123-E128 VanDerWaalsContact N-O 3.07Å
124	K	97.8	Very high	98.6	Very high	198 Å²	198	49.7 Å²	49.7	86%	0.861	25%	0.253	S	S	*	.	S	Bend	trans	-95.1	-29.7	-174.5	-69.8	-174.9	-178.9	178.5	0	112.4	E128	K124-E128 PolarHBondContact N-OE2 3.16Å
125	A	98.5	Very high	98.6	Very high	46 Å²	46	49.7 Å²	49.7	38%	0.38	25%	0.253	S	S	.	.	S	Bend	trans	-66.4	155.6	179.7	0	0	0	0	0	110.9	T127 E128	A125-T127 PolarHBondContact O-N 2.57Å; A125-E128 HydrophobicContact CB-CB 4.47Å; A125-E128 HydrophobicContact CB-CG 3.9Å; A125-E128 WeakPolarHBondContact CB-OE2 3.29Å; A125-E128 PolarHBondContact N-OE2 3.16Å; A125-E128 PolarHBondContact O-N 2.98Å
126	E	98	Very high	98.6	Very high	144 Å²	144	49.7 Å²	49.7	67%	0.673	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.3	-34.5	-177.6	-171.9	57.3	-155	0	0	112.1	E128 R129	E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 2.78Å; E126-R129 WeakPolarHBondContact O-CG 3.34Å
127	T	98.6	Very high	98.6	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.46	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-85.6	0.3	-179.9	59.1	0	0	0	0	114.4	A125 R129 K134	A125-T127 PolarHBondContact O-N 2.57Å; T127-R129 VanDerWaalsContact C-N 3.33Å; T127-K134 VanDerWaalsContact CB-CE 3.46Å; T127-K134 HydrophobicContact CG2-CD 4.42Å
128	E	98.7	Very high	98.6	Very high	82 Å²	82	55.1 Å²	55.1	38%	0.383	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-99.7	24.1	179.2	-63.5	172.6	151.8	0	0	111.5	G122 G123 K124 A125 E126 H135	G122-E128 WeakPolarHBondContact CA-O 3.48Å; G122-E128 PolarHBondContact N-O 3.05Å; G123-E128 VanDerWaalsContact C-OE2 3.27Å; G123-E128 VanDerWaalsContact CA-OE2 3.23Å; G123-E128 WeakPolarHBondContact CA-OE2 3.18Å; G123-E128 PolarHBondContact N-O 2.88Å; G123-E128 VanDerWaalsContact N-O 3.07Å; K124-E128 PolarHBondContact N-OE2 3.16Å; A125-E128 HydrophobicContact CB-CB 4.47Å; A125-E128 HydrophobicContact CB-CG 3.9Å; A125-E128 WeakPolarHBondContact CB-OE2 3.29Å; A125-E128 PolarHBondContact N-OE2 3.16Å; A125-E128 PolarHBondContact O-N 2.98Å; E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 2.78Å; E128-H135 WeakPolarHBondContact CA-ND1 3.25Å; E128-H135 PolarHBondContact O-CE1 2.88Å
129	R	98.5	Very high	98.6	Very high	106 Å²	106	55.3 Å²	55.3	40%	0.4	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-145.7	169.6	176	69.8	179.1	69.8	179.8	7	112.7	F120 E126 T127	F120-R129 CarbonylContact O-C 3.32Å; F120-R129 WeakPolarHBondContact O-CA 3.5Å; F120-R129 VanDerWaalsContact O-CB 3.32Å; F120-R129 WeakPolarHBondContact O-CB 3.35Å; E126-R129 WeakPolarHBondContact O-CG 3.34Å; T127-R129 VanDerWaalsContact C-N 3.33Å
130	G	98.8	Very high	98.6	Very high	5 Å²	5	55.3 Å²	55.3	5%	0.052	28%	0.281	C	S	.	.	S	Bend	trans	88.5	-163.3	176.3	0	0	0	0	0	112.8	F120 H135 D161	F120-G130 PolarHBondContact O-N 2.89Å; G130-H135 PolarHBondContact O-CD2 3.48Å; G130-H135 VanDerWaalsContact O-CD2 3.24Å; G130-D161 WeakPolarHBondContact CA-OD2 3.22Å
131	L	98.9	Very high	98.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-120.2	20.7	-179.4	-62.2	178.7	0	0	0	112.5	F120 I136 A157 R159 D161 T169 W190	F120-L131 HydrophobicContact CD2-CD2 4.15Å; F120-L131 HydrophobicContact CD2-CG 3.98Å; F120-L131 HydrophobicContact CE2-CG 4.31Å; L131-I136 HydrophobicContact CB-CD1 4.19Å; L131-I136 HydrophobicContact CD2-CG1 4.48Å; L131-I136 WeakPolarHBondContact O-CD1 3.29Å; L131-A157 HydrophobicContact CD1-CB 3.74Å; L131-A157 HydrophobicContact CD2-CB 3.75Å; L131-A157 HydrophobicContact CG-CB 4.43Å; L131-R159 WeakPolarHBondContact CD1-O 3.42Å; L131-D161 HydrophobicContact CB-CB 3.75Å; L131-D161 HydrophobicContact CD1-CB 3.86Å; L131-D161 HydrophobicContact CG-CB 3.76Å; L131-D161 PolarHBondContact N-OD2 2.87Å; L131-T169 HydrophobicContact CB-CG2 4.12Å; L131-T169 HydrophobicContact CD1-CG2 4.1Å; L131-T169 PolarHBondContact O-OG1 3.43Å; L131-W190 HydrophobicContact CD1-CZ2 3.64Å
132	S	98.9	Very high	98.6	Very high	28 Å²	28	58 Å²	58	20%	0.196	30%	0.3	C	S	.	.			trans	-55.4	151.2	169	68.7	0	0	0	0	110.7	K134 H135 I136 T164 E168	S132-K134 PolarHBondContact O-N 2.98Å; S132-H135 PolarHBondContact O-N 2.84Å; S132-H135 VanDerWaalsContact O-N 3.12Å; S132-H135 PolarHBondContact OG-N 3.41Å; S132-I136 PolarHBondContact O-N 3.13Å; S132-T164 PolarHBondContact N-OG1 2.94Å; S132-E168 WeakPolarHBondContact CA-OE1 3.46Å
133	R	98.9	Very high	98.7	Very high	91 Å²	91	56.1 Å²	56.1	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-55	-38.1	175.7	178.1	177.8	178.3	76.7	7	111.6	I137 E168 A172 H175	R133-I137 HydrophobicContact CG-CD1 3.72Å; R133-I137 WeakPolarHBondContact O-CB 3.44Å; R133-I137 VanDerWaalsContact O-CG1 3.29Å; R133-I137 WeakPolarHBondContact O-CG1 3.48Å; R133-I137 PolarHBondContact O-N 3.45Å; R133-E168 HydrophobicContact CB-CG 3.89Å; R133-E168 PolarHBondContact N-OE1 3.05Å; R133-A172 HydrophobicContact CB-CB 3.99Å; R133-A172 HydrophobicContact CG-CB 4.02Å; R133-H175 PolarHBondContact NH2-CD2 2.92Å; R133-H175 PolarHBondContact NH2-CE1 3.03Å; R133-H175 VanDerWaalsContact NH2-CG 3.25Å; R133-H175 PolarHBondContact NH2-ND1 3.43Å; R133-H175 PolarHBondContact NH2-NE2 2.88Å
134	K	98.9	Very high	98.8	Very high	91 Å²	91	55.2 Å²	55.2	40%	0.396	27%	0.268	S	S	.	.	H	α-helix	trans	-56.8	-57.3	175.3	176.1	174.6	166.7	60.1	0	110.5	T127 S132 I137 E138	T127-K134 VanDerWaalsContact CB-CE 3.46Å; T127-K134 HydrophobicContact CG2-CD 4.42Å; S132-K134 PolarHBondContact O-N 2.98Å; K134-I137 PolarHBondContact O-N 2.95Å; K134-E138 WeakPolarHBondContact CE-OE2 3.42Å; K134-E138 WeakPolarHBondContact CG-OE2 3.39Å; K134-E138 IonicContact NZ-OE1 3.58Å; K134-E138 PolarHBondContact NZ-OE1 3.4Å; K134-E138 IonicContact NZ-OE2 2.75Å; K134-E138 PolarHBondContact NZ-OE2 2.94Å; K134-E138 WeakPolarHBondContact O-CB 3.45Å; K134-E138 WeakPolarHBondContact O-CG 3.28Å; K134-E138 PolarHBondContact O-N 3.17Å
135	H	98.9	Very high	98.8	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-37.6	-175.9	-168.3	57.7	0	0	0	112.9	E88 E128 G130 S132 I137 G139	E88-H135 IonicContact OE1-CD2 3.41Å; E88-H135 IonicContact OE1-CE1 3.18Å; E88-H135 IonicContact OE1-NE2 3.23Å; E88-H135 PolarHBondContact OE1-NE2 3.13Å; E88-H135 IonicContact OE2-CE1 3.69Å; E88-H135 IonicContact OE2-NE2 2.77Å; E88-H135 PolarHBondContact OE2-NE2 3.31Å; E128-H135 WeakPolarHBondContact CA-ND1 3.25Å; E128-H135 PolarHBondContact O-CE1 2.88Å; G130-H135 PolarHBondContact O-CD2 3.48Å; G130-H135 VanDerWaalsContact O-CD2 3.24Å; S132-H135 PolarHBondContact O-N 2.84Å; S132-H135 VanDerWaalsContact O-N 3.12Å; S132-H135 PolarHBondContact OG-N 3.41Å; H135-I137 VanDerWaalsContact C-N 3.33Å; H135-I137 PolarHBondContact O-N 3.15Å; H135-G139 WeakPolarHBondContact O-CA 3.35Å; H135-G139 PolarHBondContact O-N 2.86Å
136	I	98.9	Very high	98.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-46.9	176.4	-72.5	171.3	0	0	0	111	L131 S132 L140 T169 A172 M173 V176	L131-I136 HydrophobicContact CB-CD1 4.19Å; L131-I136 HydrophobicContact CD2-CG1 4.48Å; L131-I136 WeakPolarHBondContact O-CD1 3.29Å; S132-I136 PolarHBondContact O-N 3.13Å; I136-L140 WeakPolarHBondContact O-CB 3.42Å; I136-L140 PolarHBondContact O-N 2.69Å; I136-L140 VanDerWaalsContact O-N 3.13Å; I136-T169 HydrophobicContact CD1-CG2 4.12Å; I136-A172 HydrophobicContact CB-CB 4.03Å; I136-A172 HydrophobicContact CD1-CB 3.69Å; I136-A172 HydrophobicContact CG1-CB 4.45Å; I136-A172 HydrophobicContact CG2-CB 3.95Å; I136-M173 HydrophobicContact CD1-CE 3.94Å; I136-M173 HydrophobicContact CD1-CG 4.38Å; I136-M173 HydrophobicContact CD1-SD 4.44Å; I136-M173 HydrophobicContact CG1-CE 4.26Å; I136-M173 HydrophobicContact CG2-SD 4.11Å; I136-V176 HydrophobicContact CG2-CG1 4.24Å
137	I	98.9	Very high	98.9	Very high	26 Å²	26	47.1 Å²	47.1	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-49.1	-178.7	-64.7	171.6	0	0	0	110.6	R133 K134 H135 K141 V176	R133-I137 HydrophobicContact CG-CD1 3.72Å; R133-I137 WeakPolarHBondContact O-CB 3.44Å; R133-I137 VanDerWaalsContact O-CG1 3.29Å; R133-I137 WeakPolarHBondContact O-CG1 3.48Å; R133-I137 PolarHBondContact O-N 3.45Å; K134-I137 PolarHBondContact O-N 2.95Å; H135-I137 VanDerWaalsContact C-N 3.33Å; H135-I137 PolarHBondContact O-N 3.15Å; I137-K141 HydrophobicContact CG2-CD 4.24Å; I137-K141 WeakPolarHBondContact O-CB 3.44Å; I137-K141 VanDerWaalsContact O-CG 3.29Å; I137-K141 WeakPolarHBondContact O-CG 3.22Å; I137-K141 PolarHBondContact O-N 2.94Å; I137-V176 HydrophobicContact CG1-CG1 4.01Å
138	E	98.9	Very high	98.9	Very high	89 Å²	89	47.4 Å²	47.4	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-46.6	-177.3	-70.5	176.2	173.1	0	0	112	K134 L140 K141 A142	K134-E138 WeakPolarHBondContact CE-OE2 3.42Å; K134-E138 WeakPolarHBondContact CG-OE2 3.39Å; K134-E138 IonicContact NZ-OE1 3.58Å; K134-E138 PolarHBondContact NZ-OE1 3.4Å; K134-E138 IonicContact NZ-OE2 2.75Å; K134-E138 PolarHBondContact NZ-OE2 2.94Å; K134-E138 WeakPolarHBondContact O-CB 3.45Å; K134-E138 WeakPolarHBondContact O-CG 3.28Å; K134-E138 PolarHBondContact O-N 3.17Å; E138-L140 PolarHBondContact O-N 3.5Å; E138-K141 PolarHBondContact O-N 3.01Å; E138-A142 WeakPolarHBondContact O-CB 3.28Å; E138-A142 PolarHBondContact O-N 3.23Å
139	G	98.9	Very high	98.9	Very high	4 Å²	4	44.6 Å²	44.6	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-42.9	177.7	0	0	0	0	0	112.4	H135 A142 S143	H135-G139 WeakPolarHBondContact O-CA 3.35Å; H135-G139 PolarHBondContact O-N 2.86Å; G139-A142 PolarHBondContact O-N 3.21Å; G139-S143 WeakPolarHBondContact O-CB 3.46Å; G139-S143 PolarHBondContact O-N 3.33Å; G139-S143 PolarHBondContact O-OG 3.01Å
140	L	98.9	Very high	98.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-41.2	176.2	-175.7	60.3	0	0	0	112	T117 I119 I136 E138 A142 S143 L144 V152 V155 V176 M181 A182	T117-L140 HydrophobicContact CG2-CD1 3.92Å; I119-L140 HydrophobicContact CD1-CB 4.43Å; I119-L140 HydrophobicContact CG1-CB 4.5Å; I136-L140 WeakPolarHBondContact O-CB 3.42Å; I136-L140 PolarHBondContact O-N 2.69Å; I136-L140 VanDerWaalsContact O-N 3.13Å; E138-L140 PolarHBondContact O-N 3.5Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.88Å; L140-S143 WeakPolarHBondContact O-CB 3.25Å; L140-S143 PolarHBondContact O-N 2.87Å; L140-L144 HydrophobicContact CD1-CG 4.26Å; L140-L144 HydrophobicContact CG-CD1 4.2Å; L140-L144 HydrophobicContact CG-CG 4.38Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CG 3.39Å; L140-L144 PolarHBondContact O-N 3.4Å; L140-V152 HydrophobicContact CD1-CG2 4.01Å; L140-V155 HydrophobicContact CD1-CB 4.32Å; L140-V155 HydrophobicContact CD1-CG2 3.96Å; L140-V155 HydrophobicContact CD2-CB 4.32Å; L140-V155 HydrophobicContact CD2-CG1 4.43Å; L140-V155 HydrophobicContact CD2-CG2 4.18Å; L140-V176 HydrophobicContact CD2-CB 3.72Å; L140-V176 HydrophobicContact CD2-CG1 4.04Å; L140-V176 HydrophobicContact CD2-CG2 3.8Å; L140-M181 HydrophobicContact CB-CE 4.02Å; L140-M181 HydrophobicContact CD2-CB 3.92Å; L140-M181 HydrophobicContact CD2-CE 3.91Å; L140-M181 HydrophobicContact CG-CE 3.84Å; L140-A182 HydrophobicContact CD2-CB 4.42Å
141	K	98.9	Very high	98.9	Very high	125 Å²	125	48.6 Å²	48.6	54%	0.543	23%	0.231	S	C	.	.	H	α-helix	trans	-56.8	-48.7	173.7	-78.3	-179.5	180	-177.7	0	111.5	I137 E138 S143 L144 E145 M181	I137-K141 HydrophobicContact CG2-CD 4.24Å; I137-K141 WeakPolarHBondContact O-CB 3.44Å; I137-K141 VanDerWaalsContact O-CG 3.29Å; I137-K141 WeakPolarHBondContact O-CG 3.22Å; I137-K141 PolarHBondContact O-N 2.94Å; E138-K141 PolarHBondContact O-N 3.01Å; K141-S143 VanDerWaalsContact C-N 3.29Å; K141-S143 PolarHBondContact O-N 3.31Å; K141-L144 PolarHBondContact O-N 3.2Å; K141-E145 PolarHBondContact O-N 2.92Å; K141-M181 HydrophobicContact CB-CE 4.33Å; K141-M181 HydrophobicContact CG-CE 3.43Å; K141-M181 VanDerWaalsContact CG-CE 3.43Å; K141-M181 HydrophobicContact CG-SD 4.4Å
142	A	98.9	Very high	98.9	Very high	31 Å²	31	48.6 Å²	48.6	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-35.3	178.5	0	0	0	0	0	112.2	E138 G139 L140 R146	E138-A142 WeakPolarHBondContact O-CB 3.28Å; E138-A142 PolarHBondContact O-N 3.23Å; G139-A142 PolarHBondContact O-N 3.21Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.88Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 2.9Å; A142-R146 VanDerWaalsContact O-N 3.07Å; A142-R146 PolarHBondContact O-NH1 3.46Å
143	S	98.9	Very high	98.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-44.8	175.5	-58.7	0	0	0	0	111.9	E96 G139 L140 K141 E145 R146 L147	E96-S143 VanDerWaalsContact OE1-CB 3.3Å; E96-S143 WeakPolarHBondContact OE1-CB 3.5Å; E96-S143 PolarHBondContact OE1-OG 3.18Å; G139-S143 WeakPolarHBondContact O-CB 3.46Å; G139-S143 PolarHBondContact O-N 3.33Å; G139-S143 PolarHBondContact O-OG 3.01Å; L140-S143 WeakPolarHBondContact O-CB 3.25Å; L140-S143 PolarHBondContact O-N 2.87Å; K141-S143 VanDerWaalsContact C-N 3.29Å; K141-S143 PolarHBondContact O-N 3.31Å; S143-E145 VanDerWaalsContact C-N 3.35Å; S143-E145 PolarHBondContact O-N 3.5Å; S143-R146 PolarHBondContact O-N 3.3Å; S143-R146 PolarHBondContact OG-NH2 3.01Å; S143-R146 VanDerWaalsContact OG-NH2 3.15Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 WeakPolarHBondContact O-CD1 3.38Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.3Å; S143-L147 PolarHBondContact O-N 2.9Å
144	L	98.9	Very high	98.9	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-40.7	176.6	-72.7	175	0	0	0	112.3	L140 K141 L147 Q148 L149 V152 M181	L140-L144 HydrophobicContact CD1-CG 4.26Å; L140-L144 HydrophobicContact CG-CD1 4.2Å; L140-L144 HydrophobicContact CG-CG 4.38Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CG 3.39Å; L140-L144 PolarHBondContact O-N 3.4Å; K141-L144 PolarHBondContact O-N 3.2Å; L144-L147 CarbonylContact O-C 3.59Å; L144-L147 PolarHBondContact O-N 3.19Å; L144-Q148 PolarHBondContact O-N 3.47Å; L144-L149 WeakPolarHBondContact CB-O 3.5Å; L144-L149 HydrophobicContact CD2-CB 4.36Å; L144-L149 PolarHBondContact O-N 3.26Å; L144-L149 VanDerWaalsContact O-N 3.1Å; L144-V152 HydrophobicContact CD2-CG1 3.94Å; L144-M181 HydrophobicContact CD1-CB 3.8Å; L144-M181 HydrophobicContact CD1-CE 4.05Å; L144-M181 HydrophobicContact CD1-CG 4.13Å
145	E	98.9	Very high	98.9	Very high	156 Å²	156	39.3 Å²	39.3	73%	0.729	19%	0.19	S	C	*	.	H	α-helix	trans	-60.1	-49.4	173.7	-176.3	178.7	-171.4	0	0	111.5	K141 S143 L147 Q148	K141-E145 PolarHBondContact O-N 2.92Å; S143-E145 VanDerWaalsContact C-N 3.35Å; S143-E145 PolarHBondContact O-N 3.5Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.15Å; E145-Q148 PolarHBondContact O-N 2.96Å; E145-Q148 VanDerWaalsContact O-N 3.09Å
146	R	98.9	Very high	98.9	Very high	62 Å²	62	39 Å²	39	23%	0.234	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-41.1	176.2	-72.6	-173.6	-62.6	-93	2	112.3	E96 V97 A142 S143 Q148	E96-R146 HydrophobicContact CB-CB 3.91Å; E96-R146 IonicContact OE2-CZ 3.56Å; E96-R146 IonicContact OE2-NE 3.43Å; E96-R146 PolarHBondContact OE2-NE 3.19Å; E96-R146 IonicContact OE2-NH2 2.85Å; E96-R146 PolarHBondContact OE2-NH2 3.07Å; V97-R146 WeakPolarHBondContact CA-O 3.45Å; V97-R146 HydrophobicContact CG2-CB 3.84Å; V97-R146 HydrophobicContact CG2-CG 3.91Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 2.9Å; A142-R146 VanDerWaalsContact O-N 3.07Å; A142-R146 PolarHBondContact O-NH1 3.46Å; S143-R146 PolarHBondContact O-N 3.3Å; S143-R146 PolarHBondContact OG-NH2 3.01Å; S143-R146 VanDerWaalsContact OG-NH2 3.15Å; R146-Q148 PolarHBondContact O-N 3.42Å
147	L	98.9	Very high	98.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-71.3	-17.4	177.4	-73.8	165.7	0	0	0	113.1	T86 E96 L99 G100 S143 L144 E145 L149 V152	T86-L147 HydrophobicContact CG2-CD2 4.37Å; E96-L147 HydrophobicContact CB-CD2 4.02Å; E96-L147 HydrophobicContact CB-CG 4Å; E96-L147 HydrophobicContact CG-CD2 4.24Å; E96-L147 HydrophobicContact CG-CG 4.22Å; E96-L147 WeakPolarHBondContact O-CD2 3.46Å; L99-L147 HydrophobicContact CB-CD2 4.19Å; L99-L147 HydrophobicContact CD2-CD2 3.91Å; L99-L147 HydrophobicContact CG-CD2 4.13Å; G100-L147 WeakPolarHBondContact CA-O 3.47Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 WeakPolarHBondContact O-CD1 3.38Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.3Å; S143-L147 PolarHBondContact O-N 2.9Å; L144-L147 CarbonylContact O-C 3.59Å; L144-L147 PolarHBondContact O-N 3.19Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.15Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 HydrophobicContact CB-CB 4.19Å; L147-L149 HydrophobicContact CB-CD1 4.05Å; L147-L149 HydrophobicContact CB-CG 3.96Å; L147-L149 PolarHBondContact O-N 2.96Å; L147-V152 HydrophobicContact CD1-CG1 3.86Å
148	Q	98.9	Very high	98.9	Very high	81 Å²	81	38 Å²	38	38%	0.379	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.1	-169.9	-59.8	165.9	74.5	0	0	111.8	N101 L144 E145 R146	N101-Q148 PolarHBondContact OD1-NE2 3.42Å; L144-Q148 PolarHBondContact O-N 3.47Å; E145-Q148 PolarHBondContact O-N 2.96Å; E145-Q148 VanDerWaalsContact O-N 3.09Å; R146-Q148 PolarHBondContact O-N 3.42Å
149	L	98.9	Very high	98.9	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.12	18%	0.181	C	C	.	.			trans	-125.9	145.6	-179.7	-65.7	-179.7	0	0	0	110.5	I103 I115 L144 L147 Y151	I103-L149 HydrophobicContact CD1-CD1 4.38Å; I103-L149 HydrophobicContact CG2-CD2 4.46Å; I115-L149 HydrophobicContact CB-CD1 4.29Å; I115-L149 HydrophobicContact CG1-CD1 4.11Å; I115-L149 HydrophobicContact CG2-CD1 4.03Å; L144-L149 WeakPolarHBondContact CB-O 3.5Å; L144-L149 HydrophobicContact CD2-CB 4.36Å; L144-L149 PolarHBondContact O-N 3.26Å; L144-L149 VanDerWaalsContact O-N 3.1Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 HydrophobicContact CB-CB 4.19Å; L147-L149 HydrophobicContact CB-CD1 4.05Å; L147-L149 HydrophobicContact CB-CG 3.96Å; L147-L149 PolarHBondContact O-N 2.96Å; L149-Y151 VanDerWaalsContact C-N 3.32Å
150	D	98.8	Very high	98.9	Very high	144 Å²	144	39.3 Å²	39.3	77%	0.77	19%	0.186	S	C	*	.	S	Bend	trans	-73.4	-29.1	172.9	-56.6	-44.4	0	0	0	111.9
151	Y	98.9	Very high	98.9	Very high	51 Å²	51	40.4 Å²	40.4	20%	0.2	19%	0.192	C	C	.	.			trans	-152.3	155.8	-179.8	66.9	-91.1	0	0	0	113.7	R110 L149 G180 M181 M183	R110-Y151 HydrophobicContact CG-CE1 4.34Å; R110-Y151 PolarHBondContact NH2-O 3.3Å; L149-Y151 VanDerWaalsContact C-N 3.32Å; Y151-G180 VanDerWaalsContact CB-O 3.23Å; Y151-G180 WeakPolarHBondContact CB-O 3.48Å; Y151-M181 VanDerWaalsContact CA-O 3.24Å; Y151-M181 WeakPolarHBondContact CA-O 3.17Å; Y151-M183 HydrophobicContact CD1-CE 4.06Å; Y151-M183 HydrophobicContact CD2-CE 3.55Å; Y151-M183 HydrophobicContact CD2-CG 3.87Å; Y151-M183 HydrophobicContact CE1-CE 3.85Å; Y151-M183 HydrophobicContact CE2-CE 3.32Å; Y151-M183 HydrophobicContact CE2-CG 4Å; Y151-M183 HydrophobicContact CG-CE 3.93Å; Y151-M183 VanDerWaalsContact CZ-CE 3.48Å
152	V	99	Very high	98.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.6	162	-66.3	0	0	0	0	110.5	I115 T117 L140 L144 L147 V155 M181 A182 M183	I115-V152 HydrophobicContact CG2-CG1 4.28Å; T117-V152 HydrophobicContact CG2-CG1 3.98Å; T117-V152 HydrophobicContact CG2-CG2 4.33Å; L140-V152 HydrophobicContact CD1-CG2 4.01Å; L144-V152 HydrophobicContact CD2-CG1 3.94Å; L147-V152 HydrophobicContact CD1-CG1 3.86Å; V152-V155 HydrophobicContact CG2-CB 4.06Å; V152-M181 PolarHBondContact N-O 3.33Å; V152-M181 VanDerWaalsContact N-O 3.12Å; V152-A182 HydrophobicContact CG2-CB 3.97Å; V152-A182 CarbonylContact O-C 3.58Å; V152-A182 WeakPolarHBondContact O-CA 3.45Å; V152-M183 PolarHBondContact O-N 3.45Å
153	D	98.9	Very high	98.9	Very high	14 Å²	14	44.9 Å²	44.9	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-40.1	175.9	-62.1	-90.7	0	0	0	110.8	R110 V114 I115 M183 Y184	R110-D153 IonicContact CZ-OD2 2.95Å; R110-D153 IonicContact NH1-OD1 3.64Å; R110-D153 IonicContact NH1-OD2 3.22Å; R110-D153 PolarHBondContact NH1-OD2 2.86Å; R110-D153 IonicContact NH2-OD1 2.65Å; R110-D153 IonicContact NH2-OD2 3.61Å; R110-D153 PolarHBondContact NH2-OD2 3.4Å; V114-D153 VanDerWaalsContact CA-OD2 3.32Å; V114-D153 WeakPolarHBondContact CA-OD2 3.21Å; V114-D153 HydrophobicContact CG1-CB 3.77Å; I115-D153 PolarHBondContact N-OD2 3.28Å; I115-D153 PolarHBondContact O-N 3.46Å; D153-M183 WeakPolarHBondContact O-CB 3.35Å; D153-Y184 WeakPolarHBondContact O-CD2 3.09Å; D153-Y184 PolarHBondContact O-N 3.28Å
154	V	99	Very high	98.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.5	174.7	-164.6	0	0	0	0	110.4	L42 L47 I115 T116 T117 F156 Y184 I211	L42-V154 HydrophobicContact CD2-CG2 4.3Å; L47-V154 HydrophobicContact CD2-CG2 3.8Å; I115-V154 PolarHBondContact O-N 3.41Å; T116-V154 VanDerWaalsContact CA-O 3.25Å; T116-V154 WeakPolarHBondContact CA-O 3.33Å; T116-V154 HydrophobicContact CG2-CB 3.69Å; T116-V154 HydrophobicContact CG2-CG2 3.9Å; T117-V154 PolarHBondContact N-O 3.09Å; V154-F156 HydrophobicContact CB-CD2 4.33Å; V154-F156 HydrophobicContact CB-CE2 3.81Å; V154-F156 HydrophobicContact CB-CZ 4.31Å; V154-F156 HydrophobicContact CG1-CD2 3.97Å; V154-F156 HydrophobicContact CG1-CE1 4.25Å; V154-F156 HydrophobicContact CG1-CE2 3.56Å; V154-F156 HydrophobicContact CG1-CG 4.48Å; V154-F156 HydrophobicContact CG1-CZ 3.71Å; V154-Y184 WeakPolarHBondContact CA-O 3.26Å; V154-I211 HydrophobicContact CG2-CD1 4.35Å
155	V	99	Very high	98.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	165.2	61.5	0	0	0	0	109.6	I119 L140 V152 M173 V176 A182 Y184 W185 G186	I119-V155 HydrophobicContact CG1-CG2 3.87Å; L140-V155 HydrophobicContact CD1-CB 4.32Å; L140-V155 HydrophobicContact CD1-CG2 3.96Å; L140-V155 HydrophobicContact CD2-CB 4.32Å; L140-V155 HydrophobicContact CD2-CG1 4.43Å; L140-V155 HydrophobicContact CD2-CG2 4.18Å; V152-V155 HydrophobicContact CG2-CB 4.06Å; V155-M173 HydrophobicContact CG1-SD 3.93Å; V155-M173 HydrophobicContact CG2-SD 4.47Å; V155-V176 HydrophobicContact CG1-CG2 4.15Å; V155-A182 HydrophobicContact CB-CB 4.09Å; V155-A182 HydrophobicContact CG1-CB 3.6Å; V155-Y184 PolarHBondContact N-O 2.64Å; V155-W185 HydrophobicContact CG1-CB 3.88Å; V155-W185 CarbonylContact O-C 3.54Å; V155-W185 WeakPolarHBondContact O-CA 3.39Å; V155-W185 WeakPolarHBondContact O-CB 3.48Å; V155-G186 PolarHBondContact O-N 3.45Å
156	F	99	Very high	98.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.5	178	-71.6	-89.5	0	0	0	112	T116 T117 K118 I119 V154 N158 G186 T187 C212 Q214 M241	T116-F156 HydrophobicContact CG2-CE2 4.08Å; T117-F156 PolarHBondContact O-N 2.88Å; K118-F156 CarbonylContact C-O 3.53Å; K118-F156 VanDerWaalsContact CA-O 3.26Å; K118-F156 WeakPolarHBondContact CA-O 3.48Å; K118-F156 HydrophobicContact CB-CB 4.04Å; K118-F156 HydrophobicContact CD-CB 4.21Å; K118-F156 HydrophobicContact CG-CB 3.82Å; K118-F156 HydrophobicContact CG-CD2 4.48Å; K118-F156 HydrophobicContact CG-CG 4.48Å; I119-F156 PolarHBondContact N-O 3.41Å; V154-F156 HydrophobicContact CB-CD2 4.33Å; V154-F156 HydrophobicContact CB-CE2 3.81Å; V154-F156 HydrophobicContact CB-CZ 4.31Å; V154-F156 HydrophobicContact CG1-CD2 3.97Å; V154-F156 HydrophobicContact CG1-CE1 4.25Å; V154-F156 HydrophobicContact CG1-CE2 3.56Å; V154-F156 HydrophobicContact CG1-CG 4.48Å; V154-F156 HydrophobicContact CG1-CZ 3.71Å; F156-N158 PolarHBondContact O-N 2.81Å; F156-G186 VanDerWaalsContact CA-O 3.28Å; F156-G186 WeakPolarHBondContact CA-O 3.46Å; F156-T187 VanDerWaalsContact CD1-O 3.26Å; F156-T187 WeakPolarHBondContact CD1-O 3.23Å; F156-C212 HydrophobicContact CE1-CB 4Å; F156-C212 HydrophobicContact CZ-CB 4.16Å; F156-Q214 HydrophobicContact CD1-CB 4.25Å; F156-Q214 HydrophobicContact CE1-CB 4.07Å; F156-M241 HydrophobicContact CE2-SD 4.41Å; F156-M241 HydrophobicContact CZ-CE 4.22Å; F156-M241 HydrophobicContact CZ-SD 4.21Å
157	A	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	115.2	154.1	0	0	0	0	0	108.6	L131 R159 M173 G186 S188 W190	L131-A157 HydrophobicContact CD1-CB 3.74Å; L131-A157 HydrophobicContact CD2-CB 3.75Å; L131-A157 HydrophobicContact CG-CB 4.43Å; A157-R159 PolarHBondContact O-N 3.33Å; A157-M173 HydrophobicContact CB-CE 3.95Å; A157-G186 PolarHBondContact N-O 3.32Å; A157-S188 VanDerWaalsContact O-CB 3.3Å; A157-S188 WeakPolarHBondContact O-CB 3.06Å; A157-S188 PolarHBondContact O-N 2.96Å; A157-W190 HydrophobicContact CB-CZ2 3.82Å
158	N	98.8	Very high	98.8	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-68.8	-22.6	-171.1	-157.4	2.6	0	0	0	113.8	K118 I119 F120 W121 F156 S188	K118-N158 HydrophobicContact CB-CB 3.63Å; K118-N158 WeakPolarHBondContact CD-OD1 3.12Å; I119-N158 WeakPolarHBondContact O-CB 3.43Å; I119-N158 PolarHBondContact O-N 3.41Å; F120-N158 HydrophobicContact CB-CB 3.78Å; W121-N158 HydrophobicContact CZ3-CB 4.27Å; W121-N158 WeakPolarHBondContact CZ3-ND2 3.32Å; F156-N158 PolarHBondContact O-N 2.81Å; N158-S188 CarbonylContact C-O 3.53Å
159	R	98.7	Very high	98.8	Very high	99 Å²	99	43.2 Å²	43.2	37%	0.374	23%	0.228	S	C	.	.	S	Bend	trans	-161.6	168.2	173.7	60.5	168.9	-72.7	154.7	2	109.5	F120 W121 L131 A157 S188 W190	F120-R159 HydrophobicContact CB-CG 4.27Å; F120-R159 HydrophobicContact CD1-CG 3.9Å; F120-R159 HydrophobicContact CD2-CG 3.28Å; F120-R159 HydrophobicContact CE1-CG 4.02Å; F120-R159 HydrophobicContact CE2-CG 3.39Å; F120-R159 HydrophobicContact CG-CG 3.54Å; F120-R159 HydrophobicContact CZ-CG 3.78Å; W121-R159 HydrophobicContact CH2-CG 3.88Å; W121-R159 HydrophobicContact CZ2-CG 4.19Å; W121-R159 HydrophobicContact CZ3-CG 4.46Å; L131-R159 WeakPolarHBondContact CD1-O 3.42Å; A157-R159 PolarHBondContact O-N 3.33Å; R159-S188 VanDerWaalsContact CA-O 3.23Å; R159-S188 WeakPolarHBondContact CA-O 3.26Å; R159-W190 PolarHBondContact O-NE1 2.96Å
160	P	98.8	Very high	98.8	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.143	22%	0.222	C	C	.	.			trans	-63.8	149.4	168.9	-21.1	32.8	0	0	0	112	F120 W190 E194	F120-P160 WeakPolarHBondContact CE2-O 3.41Å; P160-W190 VanDerWaalsContact CD-CD1 3.45Å; P160-W190 HydrophobicContact CG-CB 4.36Å; P160-W190 HydrophobicContact CG-CD2 4.45Å; P160-W190 HydrophobicContact CG-CG 3.87Å; P160-E194 VanDerWaalsContact CB-OE1 3.28Å; P160-E194 WeakPolarHBondContact CB-OE1 3.15Å
161	D	98.8	Very high	98.8	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	20%	0.201	C	C	.	.			trans	-114.7	106.3	171.3	-172.6	0.3	0	0	0	110.2	F120 G130 L131 N163 T164	F120-D161 HydrophobicContact CE2-CB 3.84Å; G130-D161 WeakPolarHBondContact CA-OD2 3.22Å; L131-D161 HydrophobicContact CB-CB 3.75Å; L131-D161 HydrophobicContact CD1-CB 3.86Å; L131-D161 HydrophobicContact CG-CB 3.76Å; L131-D161 PolarHBondContact N-OD2 2.87Å; D161-N163 PolarHBondContact O-N 2.9Å; D161-N163 WeakPolarHBondContact OD1-CB 3.23Å; D161-N163 PolarHBondContact OD1-N 3.44Å; D161-T164 WeakPolarHBondContact OD2-CB 3.35Å; D161-T164 PolarHBondContact OD2-OG1 3.43Å
162	P	98.3	Very high	98.8	Very high	112 Å²	112	37 Å²	37	73%	0.727	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.8	178.6	31	-36	0	0	0	113.3
163	N	98.6	Very high	98.8	Very high	138 Å²	138	37 Å²	37	74%	0.738	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-8.6	-175.3	-62.2	-28.2	0	0	0	113.3	D161	D161-N163 PolarHBondContact O-N 2.9Å; D161-N163 WeakPolarHBondContact OD1-CB 3.23Å; D161-N163 PolarHBondContact OD1-N 3.44Å
164	T	98.8	Very high	98.8	Very high	20 Å²	20	36.6 Å²	36.6	12%	0.123	19%	0.189	C	C	.	.	S	Bend	trans	-115.5	125.5	179.6	-58.6	0	0	0	0	109.9	S132 D161 E168	S132-T164 PolarHBondContact N-OG1 2.94Å; D161-T164 WeakPolarHBondContact OD2-CB 3.35Å; D161-T164 PolarHBondContact OD2-OG1 3.43Å; T164-E168 HydrophobicContact CG2-CB 3.99Å; T164-E168 HydrophobicContact CG2-CG 4.18Å
165	P	98.8	Very high	98.8	Very high	84 Å²	84	39.2 Å²	39.2	55%	0.545	20%	0.202	S	C	.	.			trans	-56.7	143.8	174.7	-25.3	34.8	0	0	0	112.8	E167 E168 T169	P165-E167 PolarHBondContact O-N 2.86Å; P165-E168 PolarHBondContact O-N 3.49Å; P165-E168 VanDerWaalsContact O-N 3.1Å; P165-T169 PolarHBondContact O-N 3.25Å
166	M	98.9	Very high	98.8	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-39.8	179.8	-171.3	59.4	67.9	0	0	112.5	E168 T169 V170 W190 E194 E197 A198 V201	M166-E168 VanDerWaalsContact C-N 3.33Å; M166-E168 PolarHBondContact O-N 3.31Å; M166-T169 PolarHBondContact O-N 2.86Å; M166-V170 HydrophobicContact CG-CG2 4.14Å; M166-V170 WeakPolarHBondContact O-CG2 3.18Å; M166-V170 PolarHBondContact O-N 3.35Å; M166-V170 HydrophobicContact SD-CG2 4.13Å; M166-W190 HydrophobicContact CE-CE3 4.19Å; M166-W190 HydrophobicContact CE-CH2 3.65Å; M166-W190 HydrophobicContact CE-CZ3 3.26Å; M166-W190 HydrophobicContact SD-CH2 3.51Å; M166-W190 VanDerWaalsContact SD-CH2 3.51Å; M166-W190 HydrophobicContact SD-CZ3 3.42Å; M166-W190 WeakPolarHBondContact SD-CZ3 3.3Å; M166-E194 HydrophobicContact CE-CB 4.3Å; M166-E197 HydrophobicContact CB-CG 4.18Å; M166-E197 WeakPolarHBondContact CB-OE1 3.33Å; M166-E197 HydrophobicContact CE-CB 4.26Å; M166-E197 HydrophobicContact CE-CG 4.35Å; M166-E197 WeakPolarHBondContact CE-OE2 3.16Å; M166-E197 HydrophobicContact CG-CB 4.43Å; M166-E197 HydrophobicContact CG-CG 3.92Å; M166-A198 HydrophobicContact CG-CB 4.43Å; M166-A198 HydrophobicContact SD-CB 3.78Å; M166-V201 HydrophobicContact CB-CG2 4.16Å; M166-V201 HydrophobicContact CG-CB 4.42Å; M166-V201 HydrophobicContact CG-CG2 3.84Å
167	E	98.9	Very high	98.8	Very high	73 Å²	73	40.3 Å²	40.3	34%	0.341	21%	0.207	S	C	.	.	H	α-helix	trans	-56.5	-45.5	177.5	-173.3	-179.1	164.2	0	0	112.5	P165 V170 R171 V201 F205	P165-E167 PolarHBondContact O-N 2.86Å; E167-V170 PolarHBondContact O-N 3.35Å; E167-R171 HydrophobicContact CG-CG 4.39Å; E167-R171 WeakPolarHBondContact O-CB 3.41Å; E167-R171 VanDerWaalsContact O-CG 3.27Å; E167-R171 WeakPolarHBondContact O-CG 3.27Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 IonicContact OE1-CZ 3.16Å; E167-R171 VanDerWaalsContact OE1-CZ 3.23Å; E167-R171 IonicContact OE1-NE 3.75Å; E167-R171 PolarHBondContact OE1-NE 2.96Å; E167-R171 IonicContact OE1-NH2 2.8Å; E167-R171 PolarHBondContact OE1-NH2 2.86Å; E167-V201 HydrophobicContact CB-CG1 4.23Å; E167-V201 HydrophobicContact CG-CG1 4.36Å; E167-F205 HydrophobicContact CG-CD2 4.17Å; E167-F205 HydrophobicContact CG-CE2 4.03Å
168	E	98.9	Very high	98.8	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.36	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-45.6	179.7	-175.9	176.3	146	0	0	111	S132 R133 T164 P165 M166 R171 A172	S132-E168 WeakPolarHBondContact CA-OE1 3.46Å; R133-E168 HydrophobicContact CB-CG 3.89Å; R133-E168 PolarHBondContact N-OE1 3.05Å; T164-E168 HydrophobicContact CG2-CB 3.99Å; T164-E168 HydrophobicContact CG2-CG 4.18Å; P165-E168 PolarHBondContact O-N 3.49Å; P165-E168 VanDerWaalsContact O-N 3.1Å; M166-E168 VanDerWaalsContact C-N 3.33Å; M166-E168 PolarHBondContact O-N 3.31Å; E168-R171 PolarHBondContact O-N 3.35Å; E168-A172 VanDerWaalsContact O-CB 3.3Å; E168-A172 WeakPolarHBondContact O-CB 3.5Å; E168-A172 PolarHBondContact O-N 3.49Å
169	T	98.9	Very high	98.8	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-50.7	177.8	-63.3	0	0	0	0	111	L131 I136 P165 M166 R171 A172 M173 W190	L131-T169 HydrophobicContact CB-CG2 4.12Å; L131-T169 HydrophobicContact CD1-CG2 4.1Å; L131-T169 PolarHBondContact O-OG1 3.43Å; I136-T169 HydrophobicContact CD1-CG2 4.12Å; P165-T169 PolarHBondContact O-N 3.25Å; M166-T169 PolarHBondContact O-N 2.86Å; T169-R171 PolarHBondContact O-N 2.9Å; T169-A172 PolarHBondContact O-N 3.34Å; T169-M173 HydrophobicContact CG2-CG 4.49Å; T169-M173 WeakPolarHBondContact O-CG 3.42Å; T169-M173 PolarHBondContact O-N 2.87Å; T169-W190 HydrophobicContact CG2-CH2 4.25Å; T169-W190 HydrophobicContact CG2-CZ2 4.5Å
170	V	98.9	Very high	98.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-40	-178.3	172.9	0	0	0	0	111.6	M166 E167 T174 W185 A198 V201 A202 Q207	M166-V170 HydrophobicContact CG-CG2 4.14Å; M166-V170 WeakPolarHBondContact O-CG2 3.18Å; M166-V170 PolarHBondContact O-N 3.35Å; M166-V170 HydrophobicContact SD-CG2 4.13Å; E167-V170 PolarHBondContact O-N 3.35Å; V170-T174 VanDerWaalsContact O-CB 3.29Å; V170-T174 WeakPolarHBondContact O-CB 3.32Å; V170-T174 PolarHBondContact O-N 3.17Å; V170-T174 PolarHBondContact O-OG1 3.5Å; V170-W185 HydrophobicContact CG1-CZ2 4.43Å; V170-W185 HydrophobicContact CG2-CH2 4Å; V170-W185 HydrophobicContact CG2-CZ2 4.05Å; V170-A198 HydrophobicContact CG2-CB 4Å; V170-V201 HydrophobicContact CB-CG1 3.76Å; V170-V201 HydrophobicContact CG1-CG1 3.94Å; V170-V201 HydrophobicContact CG2-CB 4.32Å; V170-V201 HydrophobicContact CG2-CG1 3.94Å; V170-A202 HydrophobicContact CG1-CB 4.1Å; V170-Q207 HydrophobicContact CG1-CB 3.72Å; V170-Q207 HydrophobicContact CG1-CG 4.25Å
171	R	98.9	Very high	98.9	Very high	88 Å²	88	48.7 Å²	48.7	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-36.8	174.7	-74.3	-179	-177.2	-74.4	3	112.2	E167 E168 T169 H175 Q207	E167-R171 HydrophobicContact CG-CG 4.39Å; E167-R171 WeakPolarHBondContact O-CB 3.41Å; E167-R171 VanDerWaalsContact O-CG 3.27Å; E167-R171 WeakPolarHBondContact O-CG 3.27Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 IonicContact OE1-CZ 3.16Å; E167-R171 VanDerWaalsContact OE1-CZ 3.23Å; E167-R171 IonicContact OE1-NE 3.75Å; E167-R171 PolarHBondContact OE1-NE 2.96Å; E167-R171 IonicContact OE1-NH2 2.8Å; E167-R171 PolarHBondContact OE1-NH2 2.86Å; E168-R171 PolarHBondContact O-N 3.35Å; T169-R171 PolarHBondContact O-N 2.9Å; R171-H175 VanDerWaalsContact O-CB 3.24Å; R171-H175 WeakPolarHBondContact O-CB 3.33Å; R171-H175 PolarHBondContact O-N 3.38Å; R171-Q207 HydrophobicContact CG-CG 4.28Å
172	A	98.9	Very high	98.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-45.8	176.3	0	0	0	0	0	111.7	R133 I136 E168 T169 T174 H175 V176	R133-A172 HydrophobicContact CB-CB 3.99Å; R133-A172 HydrophobicContact CG-CB 4.02Å; I136-A172 HydrophobicContact CB-CB 4.03Å; I136-A172 HydrophobicContact CD1-CB 3.69Å; I136-A172 HydrophobicContact CG1-CB 4.45Å; I136-A172 HydrophobicContact CG2-CB 3.95Å; E168-A172 VanDerWaalsContact O-CB 3.3Å; E168-A172 WeakPolarHBondContact O-CB 3.5Å; E168-A172 PolarHBondContact O-N 3.49Å; T169-A172 PolarHBondContact O-N 3.34Å; A172-T174 PolarHBondContact O-N 3.48Å; A172-H175 WeakPolarHBondContact O-CB 3.32Å; A172-H175 PolarHBondContact O-N 3.44Å; A172-V176 PolarHBondContact O-N 3Å
173	M	98.9	Very high	98.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-43.4	174.4	-68.5	-63.3	-174.1	0	0	111.8	I136 V155 A157 T169 H175 V176 I177 W185	I136-M173 HydrophobicContact CD1-CE 3.94Å; I136-M173 HydrophobicContact CD1-CG 4.38Å; I136-M173 HydrophobicContact CD1-SD 4.44Å; I136-M173 HydrophobicContact CG1-CE 4.26Å; I136-M173 HydrophobicContact CG2-SD 4.11Å; V155-M173 HydrophobicContact CG1-SD 3.93Å; V155-M173 HydrophobicContact CG2-SD 4.47Å; A157-M173 HydrophobicContact CB-CE 3.95Å; T169-M173 HydrophobicContact CG2-CG 4.49Å; T169-M173 WeakPolarHBondContact O-CG 3.42Å; T169-M173 PolarHBondContact O-N 2.87Å; M173-H175 VanDerWaalsContact C-N 3.33Å; M173-H175 PolarHBondContact O-N 2.87Å; M173-V176 WeakPolarHBondContact O-CG2 3.31Å; M173-V176 PolarHBondContact O-N 3.19Å; M173-I177 WeakPolarHBondContact O-CG1 3.48Å; M173-I177 PolarHBondContact O-N 3.23Å; M173-W185 HydrophobicContact CB-CB 4.13Å; M173-W185 HydrophobicContact CB-CD2 3.64Å; M173-W185 HydrophobicContact CB-CE3 4.02Å; M173-W185 HydrophobicContact CB-CG 3.71Å; M173-W185 HydrophobicContact CE-CE3 4.45Å; M173-W185 HydrophobicContact CG-CB 4.39Å; M173-W185 HydrophobicContact CG-CD2 3.8Å; M173-W185 HydrophobicContact CG-CE3 3.63Å; M173-W185 HydrophobicContact CG-CG 4.18Å; M173-W185 HydrophobicContact CG-CZ3 4.1Å; M173-W185 HydrophobicContact SD-CB 4.15Å; M173-W185 HydrophobicContact SD-CE3 4.25Å
174	T	98.9	Very high	98.9	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-40.4	174.5	-63.6	0	0	0	0	111.9	V170 A172 I177 N178 Q207 I208	V170-T174 VanDerWaalsContact O-CB 3.29Å; V170-T174 WeakPolarHBondContact O-CB 3.32Å; V170-T174 PolarHBondContact O-N 3.17Å; V170-T174 PolarHBondContact O-OG1 3.5Å; A172-T174 PolarHBondContact O-N 3.48Å; T174-I177 PolarHBondContact O-N 2.74Å; T174-N178 WeakPolarHBondContact O-CB 3.47Å; T174-N178 VanDerWaalsContact O-CG 3.3Å; T174-N178 PolarHBondContact O-N 3.39Å; T174-N178 PolarHBondContact O-ND2 2.92Å; T174-Q207 HydrophobicContact CG2-CB 4.32Å; T174-Q207 VanDerWaalsContact CG2-OE1 3.31Å; T174-Q207 WeakPolarHBondContact OG1-CB 3.28Å; T174-I208 HydrophobicContact CG2-CB 4.35Å; T174-I208 HydrophobicContact CG2-CD1 4.02Å; T174-I208 HydrophobicContact CG2-CG1 3.89Å; T174-I208 PolarHBondContact OG1-N 2.94Å
175	H	98.9	Very high	98.9	Very high	56 Å²	56	42.2 Å²	42.2	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-49.4	177.9	172.9	77.1	0	0	0	112.2	R133 R171 A172 M173 I177 N178 Q179	R133-H175 PolarHBondContact NH2-CD2 2.92Å; R133-H175 PolarHBondContact NH2-CE1 3.03Å; R133-H175 VanDerWaalsContact NH2-CG 3.25Å; R133-H175 PolarHBondContact NH2-ND1 3.43Å; R133-H175 PolarHBondContact NH2-NE2 2.88Å; R171-H175 VanDerWaalsContact O-CB 3.24Å; R171-H175 WeakPolarHBondContact O-CB 3.33Å; R171-H175 PolarHBondContact O-N 3.38Å; A172-H175 WeakPolarHBondContact O-CB 3.32Å; A172-H175 PolarHBondContact O-N 3.44Å; M173-H175 VanDerWaalsContact C-N 3.33Å; M173-H175 PolarHBondContact O-N 2.87Å; H175-I177 PolarHBondContact O-N 2.94Å; H175-N178 PolarHBondContact O-N 2.91Å; H175-N178 VanDerWaalsContact O-N 3.13Å; H175-Q179 VanDerWaalsContact CE1-CG 3.48Å; H175-Q179 WeakPolarHBondContact CE1-CG 3.3Å; H175-Q179 VanDerWaalsContact O-CG 3.31Å; H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 3.28Å
176	V	98.9	Very high	98.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-28.7	-179.4	-62.9	0	0	0	0	112.4	I136 I137 L140 V155 A172 M173 G180 M181 A182	I136-V176 HydrophobicContact CG2-CG1 4.24Å; I137-V176 HydrophobicContact CG1-CG1 4.01Å; L140-V176 HydrophobicContact CD2-CB 3.72Å; L140-V176 HydrophobicContact CD2-CG1 4.04Å; L140-V176 HydrophobicContact CD2-CG2 3.8Å; V155-V176 HydrophobicContact CG1-CG2 4.15Å; A172-V176 PolarHBondContact O-N 3Å; M173-V176 WeakPolarHBondContact O-CG2 3.31Å; M173-V176 PolarHBondContact O-N 3.19Å; V176-G180 PolarHBondContact O-N 2.64Å; V176-M181 HydrophobicContact CB-CB 4.24Å; V176-M181 HydrophobicContact CB-SD 4.33Å; V176-M181 HydrophobicContact CG1-CE 4.29Å; V176-M181 HydrophobicContact CG1-SD 4.18Å; V176-M181 WeakPolarHBondContact O-CB 3.35Å; V176-M181 PolarHBondContact O-N 2.64Å; V176-A182 PolarHBondContact O-N 3.2Å
177	I	98.9	Very high	98.9	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.118	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-49.9	170.3	-66.8	166.2	0	0	0	111.2	M173 T174 H175 Q179 G180 A182 W185 I208	M173-I177 WeakPolarHBondContact O-CG1 3.48Å; M173-I177 PolarHBondContact O-N 3.23Å; T174-I177 PolarHBondContact O-N 2.74Å; H175-I177 PolarHBondContact O-N 2.94Å; I177-Q179 PolarHBondContact O-N 3.21Å; I177-G180 WeakPolarHBondContact O-CA 3.39Å; I177-G180 PolarHBondContact O-N 3.41Å; I177-A182 VanDerWaalsContact CA-O 3.3Å; I177-A182 WeakPolarHBondContact CA-O 3.35Å; I177-A182 HydrophobicContact CG1-CB 4.17Å; I177-W185 HydrophobicContact CD1-CB 4.09Å; I177-W185 HydrophobicContact CD1-CG 4.19Å; I177-I208 HydrophobicContact CB-CD1 3.99Å; I177-I208 HydrophobicContact CD1-CB 4.47Å; I177-I208 HydrophobicContact CD1-CD1 4.22Å; I177-I208 HydrophobicContact CD1-CG2 4.05Å; I177-I208 HydrophobicContact CG2-CD1 3.58Å
178	N	98.9	Very high	98.9	Very high	111 Å²	111	33.8 Å²	33.8	59%	0.594	17%	0.169	S	C	*	.	H	α-helix	trans	-65.2	-22.3	179.6	-70.3	-21.4	0	0	0	113.2	T174 H175 G180	T174-N178 WeakPolarHBondContact O-CB 3.47Å; T174-N178 VanDerWaalsContact O-CG 3.3Å; T174-N178 PolarHBondContact O-N 3.39Å; T174-N178 PolarHBondContact O-ND2 2.92Å; H175-N178 PolarHBondContact O-N 2.91Å; H175-N178 VanDerWaalsContact O-N 3.13Å; N178-G180 VanDerWaalsContact C-N 3.27Å
179	Q	98.9	Very high	98.9	Very high	125 Å²	125	35.5 Å²	35.5	58%	0.584	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.9	171.3	-68.1	-60.9	-72.8	0	0	113.3	H175 I177 M181	H175-Q179 VanDerWaalsContact CE1-CG 3.48Å; H175-Q179 WeakPolarHBondContact CE1-CG 3.3Å; H175-Q179 VanDerWaalsContact O-CG 3.31Å; H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 3.28Å; I177-Q179 PolarHBondContact O-N 3.21Å; Q179-M181 VanDerWaalsContact C-N 3.27Å; Q179-M181 HydrophobicContact CB-CG 4.22Å; Q179-M181 HydrophobicContact CB-SD 4.25Å; Q179-M181 PolarHBondContact O-N 2.72Å
180	G	98.8	Very high	98.9	Very high	43 Å²	43	35.6 Å²	35.6	44%	0.443	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.1	-179.5	0	0	0	0	0	114.3	Y151 V176 I177 N178	Y151-G180 VanDerWaalsContact CB-O 3.23Å; Y151-G180 WeakPolarHBondContact CB-O 3.48Å; V176-G180 PolarHBondContact O-N 2.64Å; I177-G180 WeakPolarHBondContact O-CA 3.39Å; I177-G180 PolarHBondContact O-N 3.41Å; N178-G180 VanDerWaalsContact C-N 3.27Å
181	M	98.9	Very high	98.9	Very high	21 Å²	21	37.7 Å²	37.7	10%	0.103	19%	0.187	C	C	.	.	S	Bend	trans	-82.3	-21.4	178	-63.6	170	60.3	0	0	112.5	L140 K141 L144 Y151 V152 V176 Q179	L140-M181 HydrophobicContact CB-CE 4.02Å; L140-M181 HydrophobicContact CD2-CB 3.92Å; L140-M181 HydrophobicContact CD2-CE 3.91Å; L140-M181 HydrophobicContact CG-CE 3.84Å; K141-M181 HydrophobicContact CB-CE 4.33Å; K141-M181 HydrophobicContact CG-CE 3.43Å; K141-M181 VanDerWaalsContact CG-CE 3.43Å; K141-M181 HydrophobicContact CG-SD 4.4Å; L144-M181 HydrophobicContact CD1-CB 3.8Å; L144-M181 HydrophobicContact CD1-CE 4.05Å; L144-M181 HydrophobicContact CD1-CG 4.13Å; Y151-M181 VanDerWaalsContact CA-O 3.24Å; Y151-M181 WeakPolarHBondContact CA-O 3.17Å; V152-M181 PolarHBondContact N-O 3.33Å; V152-M181 VanDerWaalsContact N-O 3.12Å; V176-M181 HydrophobicContact CB-CB 4.24Å; V176-M181 HydrophobicContact CB-SD 4.33Å; V176-M181 HydrophobicContact CG1-CE 4.29Å; V176-M181 HydrophobicContact CG1-SD 4.18Å; V176-M181 WeakPolarHBondContact O-CB 3.35Å; V176-M181 PolarHBondContact O-N 2.64Å; Q179-M181 VanDerWaalsContact C-N 3.27Å; Q179-M181 HydrophobicContact CB-CG 4.22Å; Q179-M181 HydrophobicContact CB-SD 4.25Å; Q179-M181 PolarHBondContact O-N 2.72Å
182	A	98.9	Very high	98.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.1	172.5	0	0	0	0	0	110.4	L140 V152 V155 V176 I177	L140-A182 HydrophobicContact CD2-CB 4.42Å; V152-A182 HydrophobicContact CG2-CB 3.97Å; V152-A182 CarbonylContact O-C 3.58Å; V152-A182 WeakPolarHBondContact O-CA 3.45Å; V155-A182 HydrophobicContact CB-CB 4.09Å; V155-A182 HydrophobicContact CG1-CB 3.6Å; V176-A182 PolarHBondContact O-N 3.2Å; I177-A182 VanDerWaalsContact CA-O 3.3Å; I177-A182 WeakPolarHBondContact CA-O 3.35Å; I177-A182 HydrophobicContact CG1-CB 4.17Å
183	M	98.9	Very high	98.8	Very high	83 Å²	83	42.5 Å²	42.5	41%	0.409	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-39.3	173.2	-62.5	-68.4	177.5	0	0	111.6	Y151 V152 D153	Y151-M183 HydrophobicContact CD1-CE 4.06Å; Y151-M183 HydrophobicContact CD2-CE 3.55Å; Y151-M183 HydrophobicContact CD2-CG 3.87Å; Y151-M183 HydrophobicContact CE1-CE 3.85Å; Y151-M183 HydrophobicContact CE2-CE 3.32Å; Y151-M183 HydrophobicContact CE2-CG 4Å; Y151-M183 HydrophobicContact CG-CE 3.93Å; Y151-M183 VanDerWaalsContact CZ-CE 3.48Å; V152-M183 PolarHBondContact O-N 3.45Å; D153-M183 WeakPolarHBondContact O-CB 3.35Å
184	Y	98.9	Very high	98.8	Very high	73 Å²	73	45.2 Å²	45.2	29%	0.286	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	172	179.7	-52.7	-86.1	0	0	0	110.6	L47 D153 V154 V155 I211	L47-Y184 HydrophobicContact CB-CE2 3.98Å; L47-Y184 HydrophobicContact CD1-CE2 4.39Å; L47-Y184 HydrophobicContact CD2-CD2 4.04Å; L47-Y184 HydrophobicContact CD2-CE2 4.21Å; L47-Y184 HydrophobicContact CG-CE2 4.43Å; D153-Y184 WeakPolarHBondContact O-CD2 3.09Å; D153-Y184 PolarHBondContact O-N 3.28Å; V154-Y184 WeakPolarHBondContact CA-O 3.26Å; V155-Y184 PolarHBondContact N-O 2.64Å; Y184-I211 VanDerWaalsContact CB-CD1 3.48Å; Y184-I211 HydrophobicContact CD1-CD1 3.91Å; Y184-I211 HydrophobicContact CD1-CG2 3.93Å; Y184-I211 HydrophobicContact CD2-CD1 4.1Å; Y184-I211 HydrophobicContact CG-CD1 3.56Å; Y184-I211 HydrophobicContact CG-CG1 4.36Å
185	W	98.9	Very high	98.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.4	168.6	78.2	-76.4	0	0	0	112.4	V155 V170 M173 I177 T187 A198 I208 P209 P210 I211	V155-W185 HydrophobicContact CG1-CB 3.88Å; V155-W185 CarbonylContact O-C 3.54Å; V155-W185 WeakPolarHBondContact O-CA 3.39Å; V155-W185 WeakPolarHBondContact O-CB 3.48Å; V170-W185 HydrophobicContact CG1-CZ2 4.43Å; V170-W185 HydrophobicContact CG2-CH2 4Å; V170-W185 HydrophobicContact CG2-CZ2 4.05Å; M173-W185 HydrophobicContact CB-CB 4.13Å; M173-W185 HydrophobicContact CB-CD2 3.64Å; M173-W185 HydrophobicContact CB-CE3 4.02Å; M173-W185 HydrophobicContact CB-CG 3.71Å; M173-W185 HydrophobicContact CE-CE3 4.45Å; M173-W185 HydrophobicContact CG-CB 4.39Å; M173-W185 HydrophobicContact CG-CD2 3.8Å; M173-W185 HydrophobicContact CG-CE3 3.63Å; M173-W185 HydrophobicContact CG-CG 4.18Å; M173-W185 HydrophobicContact CG-CZ3 4.1Å; M173-W185 HydrophobicContact SD-CB 4.15Å; M173-W185 HydrophobicContact SD-CE3 4.25Å; I177-W185 HydrophobicContact CD1-CB 4.09Å; I177-W185 HydrophobicContact CD1-CG 4.19Å; W185-T187 HydrophobicContact CZ3-CG2 3.95Å; W185-A198 HydrophobicContact CH2-CB 3.89Å; W185-A198 HydrophobicContact CZ2-CB 4.46Å; W185-I208 PolarHBondContact NE1-O 2.87Å; W185-P209 VanDerWaalsContact NE1-C 3.31Å; W185-P209 PolarHBondContact NE1-O 2.74Å; W185-P210 HydrophobicContact CD2-CB 3.95Å; W185-P210 HydrophobicContact CE3-CB 4Å; W185-P210 HydrophobicContact CH2-CB 3.87Å; W185-P210 HydrophobicContact CH2-CG 3.94Å; W185-P210 HydrophobicContact CZ2-CB 3.8Å; W185-P210 HydrophobicContact CZ2-CG 3.91Å; W185-P210 HydrophobicContact CZ3-CB 3.96Å; W185-P210 HydrophobicContact CZ3-CG 4.45Å; W185-P210 WeakPolarHBondContact O-CA 3.42Å; W185-I211 PolarHBondContact O-N 3.49Å
186	G	98.9	Very high	98.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	176.6	177.6	0	0	0	0	0	113.1	V155 F156 A157 C212	V155-G186 PolarHBondContact O-N 3.45Å; F156-G186 VanDerWaalsContact CA-O 3.28Å; F156-G186 WeakPolarHBondContact CA-O 3.46Å; A157-G186 PolarHBondContact N-O 3.32Å; G186-C212 CarbonylContact C-O 3.54Å; G186-C212 WeakPolarHBondContact CA-O 3.44Å
187	T	98.9	Very high	98.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	159.5	177.6	57.5	0	0	0	0	110.5	F156 W185 W190 I195 P210 C212 E213 Q214	F156-T187 VanDerWaalsContact CD1-O 3.26Å; F156-T187 WeakPolarHBondContact CD1-O 3.23Å; W185-T187 HydrophobicContact CZ3-CG2 3.95Å; T187-W190 HydrophobicContact CG2-CB 4.5Å; T187-W190 HydrophobicContact CG2-CD2 3.53Å; T187-W190 HydrophobicContact CG2-CE3 3.51Å; T187-W190 HydrophobicContact CG2-CG 3.97Å; T187-W190 HydrophobicContact CG2-CH2 4.37Å; T187-W190 HydrophobicContact CG2-CZ2 4.37Å; T187-W190 HydrophobicContact CG2-CZ3 3.94Å; T187-I195 HydrophobicContact CG2-CG1 4.41Å; T187-P210 HydrophobicContact CG2-CB 4.27Å; T187-P210 HydrophobicContact CG2-CG 4.46Å; T187-C212 PolarHBondContact N-O 2.88Å; T187-E213 WeakPolarHBondContact CB-OE2 3.48Å; T187-E213 CarbonylContact O-C 3.54Å; T187-E213 WeakPolarHBondContact O-CA 3.42Å; T187-E213 VanDerWaalsContact O-OE2 3.08Å; T187-E213 PolarHBondContact OG1-OE2 3.27Å; T187-Q214 PolarHBondContact O-N 2.68Å
188	S	98.8	Very high	98.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.3	172.3	-179.5	0	0	0	0	109.4	A157 N158 R159 W190 E213 Q214	A157-S188 VanDerWaalsContact O-CB 3.3Å; A157-S188 WeakPolarHBondContact O-CB 3.06Å; A157-S188 PolarHBondContact O-N 2.96Å; N158-S188 CarbonylContact C-O 3.53Å; R159-S188 VanDerWaalsContact CA-O 3.23Å; R159-S188 WeakPolarHBondContact CA-O 3.26Å; S188-W190 PolarHBondContact O-N 2.94Å; S188-E213 WeakPolarHBondContact CA-OE2 3.21Å; S188-E213 PolarHBondContact N-OE2 2.76Å; S188-Q214 WeakPolarHBondContact CA-O 3.15Å; S188-Q214 PolarHBondContact OG-O 3.31Å; S188-Q214 VanDerWaalsContact OG-O 3.14Å
189	R	98.4	Very high	98.8	Very high	114 Å²	114	45.7 Å²	45.7	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	67.6	14.4	-177.2	-47.5	172.2	177.6	-174.5	-1.2	114.3	E213 Q214 W243	R189-E213 PolarHBondContact N-OE1 2.75Å; R189-Q214 PolarHBondContact N-O 2.97Å; R189-W243 HydrophobicContact CG-CZ2 4.23Å
190	W	98.8	Very high	98.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.015	22%	0.222	C	C	.	.			trans	-81	141.3	178.3	-73	35.2	0	0	0	111.2	L131 A157 R159 P160 M166 T169 T187 S188 E194 I195 A198 E213 K224	L131-W190 HydrophobicContact CD1-CZ2 3.64Å; A157-W190 HydrophobicContact CB-CZ2 3.82Å; R159-W190 PolarHBondContact O-NE1 2.96Å; P160-W190 VanDerWaalsContact CD-CD1 3.45Å; P160-W190 HydrophobicContact CG-CB 4.36Å; P160-W190 HydrophobicContact CG-CD2 4.45Å; P160-W190 HydrophobicContact CG-CG 3.87Å; M166-W190 HydrophobicContact CE-CE3 4.19Å; M166-W190 HydrophobicContact CE-CH2 3.65Å; M166-W190 HydrophobicContact CE-CZ3 3.26Å; M166-W190 HydrophobicContact SD-CH2 3.51Å; M166-W190 VanDerWaalsContact SD-CH2 3.51Å; M166-W190 HydrophobicContact SD-CZ3 3.42Å; M166-W190 WeakPolarHBondContact SD-CZ3 3.3Å; T169-W190 HydrophobicContact CG2-CH2 4.25Å; T169-W190 HydrophobicContact CG2-CZ2 4.5Å; T187-W190 HydrophobicContact CG2-CB 4.5Å; T187-W190 HydrophobicContact CG2-CD2 3.53Å; T187-W190 HydrophobicContact CG2-CE3 3.51Å; T187-W190 HydrophobicContact CG2-CG 3.97Å; T187-W190 HydrophobicContact CG2-CH2 4.37Å; T187-W190 HydrophobicContact CG2-CZ2 4.37Å; T187-W190 HydrophobicContact CG2-CZ3 3.94Å; S188-W190 PolarHBondContact O-N 2.94Å; W190-E194 HydrophobicContact CB-CB 4.34Å; W190-E194 HydrophobicContact CD2-CB 4.25Å; W190-E194 HydrophobicContact CE3-CB 3.61Å; W190-E194 HydrophobicContact CZ3-CB 4.25Å; W190-I195 HydrophobicContact CB-CD1 4.2Å; W190-I195 HydrophobicContact CB-CG1 3.73Å; W190-A198 HydrophobicContact CZ3-CB 4.06Å; W190-E213 PolarHBondContact N-OE1 3.24Å; W190-K224 WeakPolarHBondContact O-CE 3.45Å; W190-K224 PolarHBondContact O-NZ 3.47Å
191	S	98.7	Very high	98.8	Very high	44 Å²	44	41.4 Å²	41.4	31%	0.308	20%	0.204	S	C	.	.			trans	-63.9	158.3	170.3	68.6	0	0	0	0	110.9	M193 E194 I195	S191-M193 PolarHBondContact O-N 3.02Å; S191-E194 VanDerWaalsContact CB-OE2 3.31Å; S191-E194 WeakPolarHBondContact CB-OE2 3.4Å; S191-E194 PolarHBondContact N-OE2 3.26Å; S191-E194 PolarHBondContact O-N 3.14Å; S191-E194 VanDerWaalsContact OG-CD 3.29Å; S191-E194 VanDerWaalsContact OG-CG 3.3Å; S191-E194 WeakPolarHBondContact OG-CG 3.47Å; S191-E194 PolarHBondContact OG-N 3.36Å; S191-E194 PolarHBondContact OG-OE2 2.74Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.81Å; S191-I195 VanDerWaalsContact O-N 3.08Å
192	P	98.3	Very high	98.8	Very high	36 Å²	36	40.5 Å²	40.5	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-29.4	174.3	-23	33.4	0	0	0	113.4	M196 Q228 L232	P192-M196 WeakPolarHBondContact O-CB 3.47Å; P192-M196 PolarHBondContact O-N 3.13Å; P192-Q228 HydrophobicContact CG-CB 3.56Å; P192-Q228 HydrophobicContact CG-CG 3.95Å; P192-L232 HydrophobicContact CB-CD1 4.09Å; P192-L232 HydrophobicContact CB-CD2 4.39Å; P192-L232 HydrophobicContact CB-CG 4.43Å
193	M	98.6	Very high	98.8	Very high	154 Å²	154	47.7 Å²	47.7	76%	0.759	23%	0.227	S	C	*	.	H	α-helix	trans	-65.6	-51	176.8	-174.1	-175.6	-64.5	0	0	110.7	S191 I195 M196 E197	S191-M193 PolarHBondContact O-N 3.02Å; M193-I195 VanDerWaalsContact C-N 3.32Å; M193-I195 PolarHBondContact O-N 3.22Å; M193-M196 PolarHBondContact O-N 2.96Å; M193-M196 VanDerWaalsContact O-N 3.17Å; M193-E197 WeakPolarHBondContact O-CB 3.5Å; M193-E197 PolarHBondContact O-N 3.27Å
194	E	98.9	Very high	98.8	Very high	56 Å²	56	50.2 Å²	50.2	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-37.2	178.9	-67.2	158.3	137.9	0	0	111.6	P160 M166 W190 S191 E197 A198	P160-E194 VanDerWaalsContact CB-OE1 3.28Å; P160-E194 WeakPolarHBondContact CB-OE1 3.15Å; M166-E194 HydrophobicContact CE-CB 4.3Å; W190-E194 HydrophobicContact CB-CB 4.34Å; W190-E194 HydrophobicContact CD2-CB 4.25Å; W190-E194 HydrophobicContact CE3-CB 3.61Å; W190-E194 HydrophobicContact CZ3-CB 4.25Å; S191-E194 VanDerWaalsContact CB-OE2 3.31Å; S191-E194 WeakPolarHBondContact CB-OE2 3.4Å; S191-E194 PolarHBondContact N-OE2 3.26Å; S191-E194 PolarHBondContact O-N 3.14Å; S191-E194 VanDerWaalsContact OG-CD 3.29Å; S191-E194 VanDerWaalsContact OG-CG 3.3Å; S191-E194 WeakPolarHBondContact OG-CG 3.47Å; S191-E194 PolarHBondContact OG-N 3.36Å; S191-E194 PolarHBondContact OG-OE2 2.74Å; E194-E197 WeakPolarHBondContact O-CB 3.39Å; E194-E197 PolarHBondContact O-N 2.79Å; E194-A198 PolarHBondContact O-N 2.75Å
195	I	98.9	Very high	98.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-41.2	175.6	-61.5	164.5	0	0	0	110.8	T187 W190 S191 M193 A198 Y199 E213 L232 I236 V238	T187-I195 HydrophobicContact CG2-CG1 4.41Å; W190-I195 HydrophobicContact CB-CD1 4.2Å; W190-I195 HydrophobicContact CB-CG1 3.73Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.81Å; S191-I195 VanDerWaalsContact O-N 3.08Å; M193-I195 VanDerWaalsContact C-N 3.32Å; M193-I195 PolarHBondContact O-N 3.22Å; I195-A198 PolarHBondContact O-N 3.22Å; I195-Y199 PolarHBondContact O-N 3.12Å; I195-E213 HydrophobicContact CD1-CB 3.88Å; I195-E213 HydrophobicContact CD1-CG 3.88Å; I195-L232 HydrophobicContact CB-CD1 4.19Å; I195-L232 HydrophobicContact CD1-CD1 3.72Å; I195-L232 HydrophobicContact CG2-CD1 4.12Å; I195-I236 HydrophobicContact CG2-CD1 4.06Å; I195-V238 HydrophobicContact CG2-CG1 4.48Å; I195-V238 HydrophobicContact CG2-CG2 4.11Å
196	M	98.8	Very high	98.8	Very high	64 Å²	64	57 Å²	57	32%	0.315	28%	0.276	S	S	.	.	H	α-helix	trans	-68.7	-35.3	175.6	-172.2	61	63.7	0	0	111.8	P192 M193 Y199 S200 L232 K235 I236	P192-M196 WeakPolarHBondContact O-CB 3.47Å; P192-M196 PolarHBondContact O-N 3.13Å; M193-M196 PolarHBondContact O-N 2.96Å; M193-M196 VanDerWaalsContact O-N 3.17Å; M196-Y199 WeakPolarHBondContact O-CB 3.45Å; M196-Y199 PolarHBondContact O-N 3.2Å; M196-Y199 HydrophobicContact SD-CD1 4.23Å; M196-S200 WeakPolarHBondContact O-CB 3.26Å; M196-S200 PolarHBondContact O-N 2.82Å; M196-L232 HydrophobicContact CE-CD2 3.92Å; M196-K235 HydrophobicContact CE-CB 4.48Å; M196-K235 HydrophobicContact CE-CD 4.46Å; M196-I236 HydrophobicContact CE-CD1 4.2Å; M196-I236 HydrophobicContact CE-CG1 4.41Å; M196-I236 HydrophobicContact CE-CG2 3.78Å; M196-I236 HydrophobicContact SD-CG2 3.88Å
197	E	98.9	Very high	98.8	Very high	92 Å²	92	59 Å²	59	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-47.2	173.8	-169.2	-167.8	176.6	0	0	110.8	M166 M193 E194 Y199 S200 V201	M166-E197 HydrophobicContact CB-CG 4.18Å; M166-E197 WeakPolarHBondContact CB-OE1 3.33Å; M166-E197 HydrophobicContact CE-CB 4.26Å; M166-E197 HydrophobicContact CE-CG 4.35Å; M166-E197 WeakPolarHBondContact CE-OE2 3.16Å; M166-E197 HydrophobicContact CG-CB 4.43Å; M166-E197 HydrophobicContact CG-CG 3.92Å; M193-E197 WeakPolarHBondContact O-CB 3.5Å; M193-E197 PolarHBondContact O-N 3.27Å; E194-E197 WeakPolarHBondContact O-CB 3.39Å; E194-E197 PolarHBondContact O-N 2.79Å; E197-Y199 VanDerWaalsContact C-N 3.28Å; E197-Y199 PolarHBondContact O-N 2.91Å; E197-S200 WeakPolarHBondContact O-CB 3.46Å; E197-S200 PolarHBondContact O-N 3.36Å; E197-S200 VanDerWaalsContact O-N 3.08Å; E197-V201 WeakPolarHBondContact O-CG2 3.32Å; E197-V201 PolarHBondContact O-N 3.4Å
198	A	98.9	Very high	98.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-43.2	173.2	0	0	0	0	0	112.2	M166 V170 W185 W190 E194 I195 A202 P210	M166-A198 HydrophobicContact CG-CB 4.43Å; M166-A198 HydrophobicContact SD-CB 3.78Å; V170-A198 HydrophobicContact CG2-CB 4Å; W185-A198 HydrophobicContact CH2-CB 3.89Å; W185-A198 HydrophobicContact CZ2-CB 4.46Å; W190-A198 HydrophobicContact CZ3-CB 4.06Å; E194-A198 PolarHBondContact O-N 2.75Å; I195-A198 PolarHBondContact O-N 3.22Å; A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.48Å; A198-A202 PolarHBondContact O-N 3.37Å; A198-P210 HydrophobicContact CB-CG 4.29Å
199	Y	98.9	Very high	98.8	Very high	48 Å²	48	63 Å²	63	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-43.5	174.6	-177.3	-92.8	0	0	0	112	I195 M196 E197 A202 R203 P209 I236	I195-Y199 PolarHBondContact O-N 3.12Å; M196-Y199 WeakPolarHBondContact O-CB 3.45Å; M196-Y199 PolarHBondContact O-N 3.2Å; M196-Y199 HydrophobicContact SD-CD1 4.23Å; E197-Y199 VanDerWaalsContact C-N 3.28Å; E197-Y199 PolarHBondContact O-N 2.91Å; Y199-A202 PolarHBondContact O-N 2.93Å; Y199-R203 HydrophobicContact CD1-CG 4.05Å; Y199-R203 HydrophobicContact CE1-CG 3.64Å; Y199-R203 HydrophobicContact CE2-CG 4.47Å; Y199-R203 WeakPolarHBondContact O-CG 3.34Å; Y199-R203 PolarHBondContact O-N 3.12Å; Y199-R203 PolarHBondContact OH-NE 3.15Å; Y199-R203 PolarHBondContact OH-NH2 3.46Å; Y199-P209 HydrophobicContact CD2-CB 3.75Å; Y199-P209 HydrophobicContact CD2-CG 4.5Å; Y199-P209 HydrophobicContact CE2-CB 4.26Å; Y199-I236 HydrophobicContact CD1-CB 4.34Å; Y199-I236 HydrophobicContact CD1-CG2 3.53Å; Y199-I236 HydrophobicContact CD2-CB 3.68Å; Y199-I236 HydrophobicContact CD2-CD1 4.19Å; Y199-I236 HydrophobicContact CD2-CG2 3.83Å; Y199-I236 HydrophobicContact CE1-CB 4.34Å; Y199-I236 HydrophobicContact CE1-CG2 3.51Å; Y199-I236 HydrophobicContact CE2-CB 3.69Å; Y199-I236 HydrophobicContact CE2-CG2 3.81Å; Y199-I236 HydrophobicContact CG-CB 4.01Å; Y199-I236 HydrophobicContact CG-CD1 4.12Å; Y199-I236 HydrophobicContact CG-CG2 3.68Å
200	S	98.9	Very high	98.8	Very high	65 Å²	65	57.8 Å²	57.8	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-50.1	178.7	-173.9	0	0	0	0	111.4	M196 E197 A202 R203 Q204	M196-S200 WeakPolarHBondContact O-CB 3.26Å; M196-S200 PolarHBondContact O-N 2.82Å; E197-S200 WeakPolarHBondContact O-CB 3.46Å; E197-S200 PolarHBondContact O-N 3.36Å; E197-S200 VanDerWaalsContact O-N 3.08Å; S200-A202 VanDerWaalsContact C-N 3.29Å; S200-A202 PolarHBondContact O-N 3.28Å; S200-R203 PolarHBondContact O-N 3.07Å; S200-Q204 WeakPolarHBondContact O-CB 3.48Å; S200-Q204 PolarHBondContact O-N 2.95Å
201	V	98.9	Very high	98.8	Very high	14 Å²	14	58.7 Å²	58.7	9%	0.085	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-45.9	173.8	166.2	0	0	0	0	110.6	M166 E167 V170 E197 R203 Q204 F205	M166-V201 HydrophobicContact CB-CG2 4.16Å; M166-V201 HydrophobicContact CG-CB 4.42Å; M166-V201 HydrophobicContact CG-CG2 3.84Å; E167-V201 HydrophobicContact CB-CG1 4.23Å; E167-V201 HydrophobicContact CG-CG1 4.36Å; V170-V201 HydrophobicContact CB-CG1 3.76Å; V170-V201 HydrophobicContact CG1-CG1 3.94Å; V170-V201 HydrophobicContact CG2-CB 4.32Å; V170-V201 HydrophobicContact CG2-CG1 3.94Å; E197-V201 WeakPolarHBondContact O-CG2 3.32Å; E197-V201 PolarHBondContact O-N 3.4Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 3.45Å; V201-Q204 PolarHBondContact O-N 2.78Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 WeakPolarHBondContact O-CD2 3.4Å; V201-F205 PolarHBondContact O-N 2.76Å
202	A	98.9	Very high	98.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-41.5	179	0	0	0	0	0	112.4	V170 A198 Y199 S200 N206 Q207 P209	V170-A202 HydrophobicContact CG1-CB 4.1Å; A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.48Å; A198-A202 PolarHBondContact O-N 3.37Å; Y199-A202 PolarHBondContact O-N 2.93Å; S200-A202 VanDerWaalsContact C-N 3.29Å; S200-A202 PolarHBondContact O-N 3.28Å; A202-N206 CarbonylContact O-C 3.51Å; A202-N206 WeakPolarHBondContact O-CA 3.36Å; A202-N206 PolarHBondContact O-N 2.95Å; A202-Q207 HydrophobicContact CB-CB 4.3Å; A202-Q207 PolarHBondContact O-N 3.42Å; A202-P209 HydrophobicContact CB-CB 3.99Å
203	R	98.8	Very high	98.9	Very high	153 Å²	153	54.9 Å²	54.9	58%	0.577	27%	0.268	S	S	*	.	H	α-helix	trans	-69.4	-42.7	175.9	-65.5	-51.4	-174.9	-178	0.7	113	Y199 S200 V201 F205	Y199-R203 HydrophobicContact CD1-CG 4.05Å; Y199-R203 HydrophobicContact CE1-CG 3.64Å; Y199-R203 HydrophobicContact CE2-CG 4.47Å; Y199-R203 WeakPolarHBondContact O-CG 3.34Å; Y199-R203 PolarHBondContact O-N 3.12Å; Y199-R203 PolarHBondContact OH-NE 3.15Å; Y199-R203 PolarHBondContact OH-NH2 3.46Å; S200-R203 PolarHBondContact O-N 3.07Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 3.45Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.02Å
204	Q	98.9	Very high	98.9	Very high	136 Å²	136	47.7 Å²	47.7	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-62.6	-41	-179.3	-178.8	176.5	-5	0	0	112.3	S200 V201	S200-Q204 WeakPolarHBondContact O-CB 3.48Å; S200-Q204 PolarHBondContact O-N 2.95Å; V201-Q204 PolarHBondContact O-N 2.78Å
205	F	98.8	Very high	98.9	Very high	66 Å²	66	45.1 Å²	45.1	29%	0.289	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	14.8	-174	-60.4	-67.4	0	0	0	113.9	E167 V201 R203 Q207	E167-F205 HydrophobicContact CG-CD2 4.17Å; E167-F205 HydrophobicContact CG-CE2 4.03Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 WeakPolarHBondContact O-CD2 3.4Å; V201-F205 PolarHBondContact O-N 2.76Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.02Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 HydrophobicContact CB-CG 3.91Å; F205-Q207 PolarHBondContact O-N 3.45Å; F205-Q207 PolarHBondContact O-NE2 3.38Å
206	N	98.8	Very high	98.9	Very high	150 Å²	150	47.6 Å²	47.6	80%	0.802	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	45.3	-177.1	-167.1	40.2	0	0	0	113.1	A202	A202-N206 CarbonylContact O-C 3.51Å; A202-N206 WeakPolarHBondContact O-CA 3.36Å; A202-N206 PolarHBondContact O-N 2.95Å
207	Q	98.9	Very high	98.9	Very high	40 Å²	40	44.5 Å²	44.5	19%	0.187	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-98.2	173.4	174.8	-51.1	-64.1	-60.2	0	0	110.4	V170 R171 T174 A202 F205	V170-Q207 HydrophobicContact CG1-CB 3.72Å; V170-Q207 HydrophobicContact CG1-CG 4.25Å; R171-Q207 HydrophobicContact CG-CG 4.28Å; T174-Q207 HydrophobicContact CG2-CB 4.32Å; T174-Q207 VanDerWaalsContact CG2-OE1 3.31Å; T174-Q207 WeakPolarHBondContact OG1-CB 3.28Å; A202-Q207 HydrophobicContact CB-CB 4.3Å; A202-Q207 PolarHBondContact O-N 3.42Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 HydrophobicContact CB-CG 3.91Å; F205-Q207 PolarHBondContact O-N 3.45Å; F205-Q207 PolarHBondContact O-NE2 3.38Å
208	I	98.9	Very high	98.8	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.267	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-84.8	123.2	-178.6	-59.6	172.1	0	0	0	108.7	T174 I177 W185	T174-I208 HydrophobicContact CG2-CB 4.35Å; T174-I208 HydrophobicContact CG2-CD1 4.02Å; T174-I208 HydrophobicContact CG2-CG1 3.89Å; T174-I208 PolarHBondContact OG1-N 2.94Å; I177-I208 HydrophobicContact CB-CD1 3.99Å; I177-I208 HydrophobicContact CD1-CB 4.47Å; I177-I208 HydrophobicContact CD1-CD1 4.22Å; I177-I208 HydrophobicContact CD1-CG2 4.05Å; I177-I208 HydrophobicContact CG2-CD1 3.58Å; W185-I208 PolarHBondContact NE1-O 2.87Å
209	P	98.9	Very high	98.8	Very high	33 Å²	33	40.4 Å²	40.4	21%	0.214	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.1	159	176.8	30.9	-34.5	0	0	0	112.2	W185 Y199 A202	W185-P209 VanDerWaalsContact NE1-C 3.31Å; W185-P209 PolarHBondContact NE1-O 2.74Å; Y199-P209 HydrophobicContact CD2-CB 3.75Å; Y199-P209 HydrophobicContact CD2-CG 4.5Å; Y199-P209 HydrophobicContact CE2-CB 4.26Å; A202-P209 HydrophobicContact CB-CB 3.99Å
210	P	98.9	Very high	98.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.032	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.4	146	175.7	29.5	-31.6	0	0	0	110.6	W185 T187 A198 V238	W185-P210 HydrophobicContact CD2-CB 3.95Å; W185-P210 HydrophobicContact CE3-CB 4Å; W185-P210 HydrophobicContact CH2-CB 3.87Å; W185-P210 HydrophobicContact CH2-CG 3.94Å; W185-P210 HydrophobicContact CZ2-CB 3.8Å; W185-P210 HydrophobicContact CZ2-CG 3.91Å; W185-P210 HydrophobicContact CZ3-CB 3.96Å; W185-P210 HydrophobicContact CZ3-CG 4.45Å; W185-P210 WeakPolarHBondContact O-CA 3.42Å; T187-P210 HydrophobicContact CG2-CB 4.27Å; T187-P210 HydrophobicContact CG2-CG 4.46Å; A198-P210 HydrophobicContact CB-CG 4.29Å; P210-V238 WeakPolarHBondContact O-CG2 3.43Å
211	I	98.9	Very high	98.8	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.118	19%	0.191	C	C	.	.			trans	-98.9	-16.8	-179.1	65.7	159.2	0	0	0	113.8	L42 L47 V154 Y184 W185 G239	L42-I211 HydrophobicContact CD2-CD1 3.94Å; L42-I211 HydrophobicContact CG-CD1 4.43Å; L47-I211 HydrophobicContact CD2-CD1 4.4Å; V154-I211 HydrophobicContact CG2-CD1 4.35Å; Y184-I211 VanDerWaalsContact CB-CD1 3.48Å; Y184-I211 HydrophobicContact CD1-CD1 3.91Å; Y184-I211 HydrophobicContact CD1-CG2 3.93Å; Y184-I211 HydrophobicContact CD2-CD1 4.1Å; Y184-I211 HydrophobicContact CG-CD1 3.56Å; Y184-I211 HydrophobicContact CG-CG1 4.36Å; W185-I211 PolarHBondContact O-N 3.49Å; I211-G239 PolarHBondContact O-N 2.94Å
212	C	98.8	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144	-169.3	-176.6	0	0	0	0	111.3	L42 F156 G186 T187 G239 M241	L42-C212 HydrophobicContact CD1-CB 4.17Å; L42-C212 HydrophobicContact CD2-CB 3.9Å; L42-C212 HydrophobicContact CG-CB 3.95Å; F156-C212 HydrophobicContact CE1-CB 4Å; F156-C212 HydrophobicContact CZ-CB 4.16Å; G186-C212 CarbonylContact C-O 3.54Å; G186-C212 WeakPolarHBondContact CA-O 3.44Å; T187-C212 PolarHBondContact N-O 2.88Å; C212-G239 WeakPolarHBondContact CA-O 3.49Å; C212-M241 WeakPolarHBondContact SG-CB 3.44Å
213	E	98.9	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.4	162.3	164.4	58	-163.1	0	0	109.7	T187 S188 R189 W190 I195 A215 K224 L229 V238 G239 M241	T187-E213 WeakPolarHBondContact CB-OE2 3.48Å; T187-E213 CarbonylContact O-C 3.54Å; T187-E213 WeakPolarHBondContact O-CA 3.42Å; T187-E213 VanDerWaalsContact O-OE2 3.08Å; T187-E213 PolarHBondContact OG1-OE2 3.27Å; S188-E213 WeakPolarHBondContact CA-OE2 3.21Å; S188-E213 PolarHBondContact N-OE2 2.76Å; R189-E213 PolarHBondContact N-OE1 2.75Å; W190-E213 PolarHBondContact N-OE1 3.24Å; I195-E213 HydrophobicContact CD1-CB 3.88Å; I195-E213 HydrophobicContact CD1-CG 3.88Å; E213-A215 HydrophobicContact CG-CB 4.1Å; E213-K224 IonicContact OE1-NZ 3.92Å; E213-K224 PolarHBondContact OE1-NZ 3.16Å; E213-L229 HydrophobicContact CB-CD2 4.24Å; E213-L229 HydrophobicContact CG-CD1 4.27Å; E213-L229 HydrophobicContact CG-CD2 3.94Å; E213-V238 HydrophobicContact CB-CG1 4.18Å; E213-G239 PolarHBondContact N-O 3.31Å; E213-M241 PolarHBondContact O-N 3.24Å
214	Q	98.8	Very high	98.6	Very high	4 Å²	4	38 Å²	38	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	97.8	174.2	-141.3	-170.2	68.5	0	0	110.9	D85 F156 T187 S188 R189 M241 W243 L321	D85-Q214 PolarHBondContact OD1-NE2 2.95Å; F156-Q214 HydrophobicContact CD1-CB 4.25Å; F156-Q214 HydrophobicContact CE1-CB 4.07Å; T187-Q214 PolarHBondContact O-N 2.68Å; S188-Q214 WeakPolarHBondContact CA-O 3.15Å; S188-Q214 PolarHBondContact OG-O 3.31Å; S188-Q214 VanDerWaalsContact OG-O 3.14Å; R189-Q214 PolarHBondContact N-O 2.97Å; Q214-M241 CarbonylContact C-O 3.3Å; Q214-M241 WeakPolarHBondContact CA-O 3.48Å; Q214-M241 HydrophobicContact CG-CB 4.18Å; Q214-M241 HydrophobicContact CG-CG 4.09Å; Q214-M241 WeakPolarHBondContact CG-O 3.4Å; Q214-M241 HydrophobicContact CG-SD 4.15Å; Q214-M241 PolarHBondContact NE2-SD 3.38Å; Q214-M241 VanDerWaalsContact NE2-SD 3.45Å; Q214-W243 PolarHBondContact O-NE1 3.25Å; Q214-L321 HydrophobicContact CG-CD1 4.14Å
215	A	98.7	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.5	-169.7	0	0	0	0	0	114	E213 Y217 K224 V225 L229 M241 T242 W243	E213-A215 HydrophobicContact CG-CB 4.1Å; A215-Y217 PolarHBondContact O-N 2.61Å; A215-K224 HydrophobicContact CB-CD 4.08Å; A215-V225 HydrophobicContact CB-CG2 3.75Å; A215-L229 HydrophobicContact CB-CD1 3.96Å; A215-M241 PolarHBondContact N-O 2.8Å; A215-M241 VanDerWaalsContact N-O 3.13Å; A215-T242 CarbonylContact O-C 3.37Å; A215-T242 WeakPolarHBondContact O-CA 3.41Å; A215-T242 WeakPolarHBondContact O-CB 3.15Å; A215-W243 VanDerWaalsContact O-CD1 3.31Å; A215-W243 PolarHBondContact O-N 2.77Å
216	E	98.8	Very high	98.4	Very high	51 Å²	51	30.4 Å²	30.4	24%	0.238	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.5	171.2	-163.2	163.3	-157.2	0	0	109.2	H218 Q221 W243	E216-H218 IonicContact OE1-CD2 2.78Å; E216-H218 IonicContact OE1-NE2 2.64Å; E216-H218 PolarHBondContact OE1-NE2 3.44Å; E216-Q221 HydrophobicContact CB-CG 4Å; E216-Q221 HydrophobicContact CG-CB 4.31Å; E216-Q221 HydrophobicContact CG-CG 3.94Å; E216-W243 HydrophobicContact CB-CD2 4.11Å; E216-W243 HydrophobicContact CB-CE3 4.04Å; E216-W243 HydrophobicContact CB-CH2 3.4Å; E216-W243 VanDerWaalsContact CB-CH2 3.4Å; E216-W243 HydrophobicContact CB-CZ2 3.49Å; E216-W243 VanDerWaalsContact CB-CZ2 3.49Å; E216-W243 HydrophobicContact CB-CZ3 3.69Å; E216-W243 VanDerWaalsContact CD-CH2 3.42Å; E216-W243 HydrophobicContact CG-CD2 4.41Å; E216-W243 HydrophobicContact CG-CE3 3.86Å; E216-W243 HydrophobicContact CG-CH2 3.6Å; E216-W243 HydrophobicContact CG-CZ2 4.2Å; E216-W243 HydrophobicContact CG-CZ3 3.41Å; E216-W243 VanDerWaalsContact CG-CZ3 3.41Å; E216-W243 VanDerWaalsContact N-CE2 3.26Å; E216-W243 WeakPolarHBondContact OE1-CZ3 3.36Å; E216-W243 WeakPolarHBondContact OE2-CH2 3.17Å
217	Y	98.8	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.			trans	-150.6	121.5	174.9	-172.3	-133.7	0	0	0	111.8	A215 Q221 R222 V225 E226 T242 W243 P245 W310 C311 R313 V317	A215-Y217 PolarHBondContact O-N 2.61Å; Y217-Q221 WeakPolarHBondContact CA-O 3.36Å; Y217-Q221 WeakPolarHBondContact CD2-O 3.24Å; Y217-R222 HydrophobicContact CE2-CB 4.46Å; Y217-V225 HydrophobicContact CD1-CB 4.46Å; Y217-V225 HydrophobicContact CD1-CG1 3.89Å; Y217-V225 HydrophobicContact CD2-CB 3.64Å; Y217-V225 HydrophobicContact CD2-CG1 3.95Å; Y217-V225 HydrophobicContact CD2-CG2 4.12Å; Y217-V225 HydrophobicContact CE1-CG1 4.12Å; Y217-V225 HydrophobicContact CE2-CB 4.11Å; Y217-V225 HydrophobicContact CE2-CG1 4.21Å; Y217-V225 HydrophobicContact CG-CB 3.86Å; Y217-V225 HydrophobicContact CG-CG1 3.8Å; Y217-V225 HydrophobicContact CG-CG2 4.05Å; Y217-E226 HydrophobicContact CE2-CG 3.77Å; Y217-E226 WeakPolarHBondContact OH-CG 3.27Å; Y217-E226 PolarHBondContact OH-OE1 3.04Å; Y217-T242 HydrophobicContact CD1-CG2 3.95Å; Y217-T242 HydrophobicContact CG-CG2 4.13Å; Y217-W243 PolarHBondContact N-O 2.65Å; Y217-P245 WeakPolarHBondContact O-CA 3.34Å; Y217-W310 HydrophobicContact CE1-CZ3 4.17Å; Y217-W310 AromaticContact CE2-CH2 3.93Å; Y217-W310 HydrophobicContact CE2-CH2 3.93Å; Y217-W310 AromaticContact CE2-CZ3 3.79Å; Y217-W310 HydrophobicContact CE2-CZ3 3.79Å; Y217-W310 AromaticContact CZ-CH2 3.92Å; Y217-W310 AromaticContact CZ-CZ3 3.58Å; Y217-C311 HydrophobicContact CD1-CB 3.91Å; Y217-C311 HydrophobicContact CE1-CB 3.96Å; Y217-C311 WeakPolarHBondContact CE1-O 3.46Å; Y217-R313 PolarHBondContact OH-NH1 3.18Å; Y217-V317 HydrophobicContact CD1-CG2 4.11Å; Y217-V317 HydrophobicContact CE1-CG2 4Å
218	H	98.7	Very high	98.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-163.2	175.3	175.1	51.7	71.8	0	0	0	109.1	E216 F220 Q221 S244 P245 I251	E216-H218 IonicContact OE1-CD2 2.78Å; E216-H218 IonicContact OE1-NE2 2.64Å; E216-H218 PolarHBondContact OE1-NE2 3.44Å; H218-F220 PolarHBondContact ND1-N 3.24Å; H218-F220 PolarHBondContact O-N 2.89Å; H218-Q221 WeakPolarHBondContact CE1-CB 3.4Å; H218-Q221 PolarHBondContact N-O 3.48Å; H218-Q221 VanDerWaalsContact N-O 3.15Å; H218-Q221 PolarHBondContact ND1-N 2.62Å; H218-Q221 CarbonylContact O-C 3.55Å; H218-Q221 VanDerWaalsContact O-C 3.3Å; H218-Q221 PolarHBondContact O-N 3.46Å; H218-S244 PolarHBondContact CD2-O 3.35Å; H218-P245 VanDerWaalsContact CB-O 3.29Å; H218-P245 WeakPolarHBondContact CB-O 3.28Å; H218-I251 HydrophobicContact CB-CD1 3.72Å
219	M	98.4	Very high	98.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.4	-176.1	-73	174.8	165	0	0	114.4	R222 I251 L292 L306 A307 W310 V351 L355 N357	M219-R222 WeakPolarHBondContact O-CD 3.36Å; M219-I251 HydrophobicContact CB-CD1 4.38Å; M219-L292 HydrophobicContact SD-CD1 3.75Å; M219-L306 HydrophobicContact CE-CG 4.26Å; M219-A307 HydrophobicContact CE-CB 4.35Å; M219-A307 HydrophobicContact SD-CB 4.31Å; M219-W310 HydrophobicContact CE-CB 3.8Å; M219-W310 HydrophobicContact CE-CD2 4.21Å; M219-W310 HydrophobicContact CE-CG 3.76Å; M219-W310 HydrophobicContact CG-CD2 3.9Å; M219-W310 HydrophobicContact CG-CE3 3.86Å; M219-W310 HydrophobicContact CG-CG 4.44Å; M219-W310 HydrophobicContact CG-CZ3 4.24Å; M219-V351 HydrophobicContact CE-CG1 4.03Å; M219-L355 HydrophobicContact CB-CD1 3.7Å; M219-L355 HydrophobicContact CB-CD2 3.87Å; M219-L355 HydrophobicContact CB-CG 4.45Å; M219-L355 HydrophobicContact CG-CD1 3.91Å; M219-N357 PolarHBondContact O-ND2 3.38Å
220	F	98.3	Very high	98	Very high	26 Å²	26	23.4 Å²	23.4	11%	0.114	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.1	176.6	-51.9	-59.4	0	0	0	115.9	H218 I251 Q285 K288 L289 L355	H218-F220 PolarHBondContact ND1-N 3.24Å; H218-F220 PolarHBondContact O-N 2.89Å; F220-I251 HydrophobicContact CD2-CD1 4.15Å; F220-I251 HydrophobicContact CD2-CG1 4Å; F220-I251 HydrophobicContact CE2-CD1 4.34Å; F220-I251 HydrophobicContact CE2-CG1 3.77Å; F220-Q285 HydrophobicContact CD1-CB 4.4Å; F220-Q285 HydrophobicContact CD1-CG 3.77Å; F220-Q285 HydrophobicContact CD2-CB 4.27Å; F220-Q285 HydrophobicContact CD2-CG 4.1Å; F220-Q285 HydrophobicContact CE1-CB 4Å; F220-Q285 HydrophobicContact CE1-CG 3.83Å; F220-Q285 HydrophobicContact CE2-CB 3.85Å; F220-Q285 HydrophobicContact CE2-CG 4.14Å; F220-Q285 HydrophobicContact CG-CG 3.92Å; F220-Q285 HydrophobicContact CZ-CB 3.71Å; F220-Q285 HydrophobicContact CZ-CG 4.01Å; F220-K288 HydrophobicContact CE1-CB 4.41Å; F220-K288 HydrophobicContact CE1-CD 4.25Å; F220-L289 HydrophobicContact CE2-CD2 3.94Å; F220-L289 HydrophobicContact CE2-CG 4.27Å; F220-L289 HydrophobicContact CZ-CD2 3.87Å; F220-L289 HydrophobicContact CZ-CG 4.07Å; F220-L355 HydrophobicContact CD1-CD2 4.11Å; F220-L355 HydrophobicContact CE1-CD2 3.65Å; F220-L355 HydrophobicContact CZ-CD2 4.37Å
221	Q	98.3	Very high	97.9	Very high	81 Å²	81	27.9 Å²	27.9	38%	0.379	14%	0.135	S	C	.	.	B	Isolated β-bridge	trans	-143.7	98	179	-177	62.9	27	0	0	108.9	E216 Y217 H218	E216-Q221 HydrophobicContact CB-CG 4Å; E216-Q221 HydrophobicContact CG-CB 4.31Å; E216-Q221 HydrophobicContact CG-CG 3.94Å; Y217-Q221 WeakPolarHBondContact CA-O 3.36Å; Y217-Q221 WeakPolarHBondContact CD2-O 3.24Å; H218-Q221 WeakPolarHBondContact CE1-CB 3.4Å; H218-Q221 PolarHBondContact N-O 3.48Å; H218-Q221 VanDerWaalsContact N-O 3.15Å; H218-Q221 PolarHBondContact ND1-N 2.62Å; H218-Q221 CarbonylContact O-C 3.55Å; H218-Q221 VanDerWaalsContact O-C 3.3Å; H218-Q221 PolarHBondContact O-N 3.46Å
222	R	98	Very high	97.8	Very high	8 Å²	8	27.1 Å²	27.1	3%	0.03	13%	0.132	C	C	.	.			trans	-123.7	-38.3	-162.9	-56.5	178.8	57.8	176.1	-1.6	114.8	Y217 M219 K224 V225 E226 W310 D352 N357 P359	Y217-R222 HydrophobicContact CE2-CB 4.46Å; M219-R222 WeakPolarHBondContact O-CD 3.36Å; R222-K224 PolarHBondContact O-N 2.71Å; R222-V225 PolarHBondContact O-N 3.31Å; R222-E226 HydrophobicContact CB-CG 4.45Å; R222-E226 IonicContact CZ-OE1 2.72Å; R222-E226 IonicContact CZ-OE2 3Å; R222-E226 IonicContact NE-OE1 3.95Å; R222-E226 PolarHBondContact NE-OE1 3.14Å; R222-E226 IonicContact NE-OE2 2.7Å; R222-E226 PolarHBondContact NE-OE2 3.08Å; R222-E226 IonicContact NH2-OE1 3.73Å; R222-E226 PolarHBondContact NH2-OE1 3.33Å; R222-E226 IonicContact NH2-OE2 3.89Å; R222-E226 PolarHBondContact NH2-OE2 3.49Å; R222-E226 WeakPolarHBondContact O-CB 3.41Å; R222-E226 PolarHBondContact O-N 3.1Å; R222-W310 HydrophobicContact CG-CH2 3.88Å; R222-D352 IonicContact CZ-OD1 3.19Å; R222-D352 VanDerWaalsContact CZ-OD1 3.22Å; R222-D352 IonicContact NH1-OD1 3.98Å; R222-D352 PolarHBondContact NH1-OD1 2.97Å; R222-D352 IonicContact NH2-OD1 2.83Å; R222-D352 PolarHBondContact NH2-OD1 3.27Å; R222-N357 WeakPolarHBondContact CD-OD1 3.37Å; R222-N357 PolarHBondContact NH1-OD1 2.91Å; R222-P359 HydrophobicContact CB-CG 4.24Å
223	E	96.8	Very high	97.8	Very high	86 Å²	86	30.1 Å²	30.1	40%	0.402	15%	0.145	S	C	.	.	H	α-helix	trans	-53.6	-55.5	-162.5	-173.7	-75.7	143.2	0	0	112.9	V225 E226 V227 Q228 P359	E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 3.01Å; E223-E226 PolarHBondContact O-N 3.2Å; E223-V227 WeakPolarHBondContact O-CB 3.39Å; E223-V227 PolarHBondContact O-N 3.4Å; E223-Q228 WeakPolarHBondContact OE1-CG 3.31Å; E223-Q228 PolarHBondContact OE1-NE2 2.85Å; E223-Q228 PolarHBondContact OE2-NE2 2.92Å; E223-P359 HydrophobicContact CB-CB 4.29Å; E223-P359 HydrophobicContact CG-CB 4.37Å
224	K	97.5	Very high	97.7	Very high	30 Å²	30	36 Å²	36	13%	0.13	17%	0.172	C	C	.	.	I	π-helix	trans	-54.3	-48.5	-178.9	-177.2	177.7	-175.6	-177.4	0	112.8	W190 E213 A215 R222 Q228 L229	W190-K224 WeakPolarHBondContact O-CE 3.45Å; W190-K224 PolarHBondContact O-NZ 3.47Å; E213-K224 IonicContact OE1-NZ 3.92Å; E213-K224 PolarHBondContact OE1-NZ 3.16Å; A215-K224 HydrophobicContact CB-CD 4.08Å; R222-K224 PolarHBondContact O-N 2.71Å; K224-Q228 WeakPolarHBondContact O-CA 3.3Å; K224-Q228 VanDerWaalsContact O-CB 3.32Å; K224-Q228 WeakPolarHBondContact O-CB 3.13Å; K224-Q228 PolarHBondContact O-N 2.88Å; K224-L229 HydrophobicContact CG-CD2 4.32Å; K224-L229 HydrophobicContact CG-CG 4.29Å; K224-L229 WeakPolarHBondContact O-CG 3.46Å; K224-L229 PolarHBondContact O-N 3.1Å
225	V	97.9	Very high	97.7	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	20%	0.2	C	C	.	.	I	π-helix	trans	-79.7	-33.1	-173.5	179.4	0	0	0	0	112.6	A215 Y217 R222 E223 L229 P230 T242 V317	A215-V225 HydrophobicContact CB-CG2 3.75Å; Y217-V225 HydrophobicContact CD1-CB 4.46Å; Y217-V225 HydrophobicContact CD1-CG1 3.89Å; Y217-V225 HydrophobicContact CD2-CB 3.64Å; Y217-V225 HydrophobicContact CD2-CG1 3.95Å; Y217-V225 HydrophobicContact CD2-CG2 4.12Å; Y217-V225 HydrophobicContact CE1-CG1 4.12Å; Y217-V225 HydrophobicContact CE2-CB 4.11Å; Y217-V225 HydrophobicContact CE2-CG1 4.21Å; Y217-V225 HydrophobicContact CG-CB 3.86Å; Y217-V225 HydrophobicContact CG-CG1 3.8Å; Y217-V225 HydrophobicContact CG-CG2 4.05Å; R222-V225 PolarHBondContact O-N 3.31Å; E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 3.01Å; V225-L229 HydrophobicContact CB-CD1 4.36Å; V225-L229 HydrophobicContact CG1-CD1 4.46Å; V225-L229 HydrophobicContact CG2-CD1 3.84Å; V225-P230 VanDerWaalsContact O-CD 3.31Å; V225-P230 WeakPolarHBondContact O-CD 3.43Å; V225-T242 HydrophobicContact CG1-CG2 4.08Å; V225-T242 HydrophobicContact CG2-CG2 4.25Å; V225-V317 HydrophobicContact CG1-CG2 3.8Å
226	E	97.4	Very high	97.7	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.182	21%	0.205	C	C	.	.	I	π-helix	trans	-84.2	-25.7	179.7	-69.3	-172.7	-156.5	0	0	113.2	Y217 R222 E223 W310 R313 P359	Y217-E226 HydrophobicContact CE2-CG 3.77Å; Y217-E226 WeakPolarHBondContact OH-CG 3.27Å; Y217-E226 PolarHBondContact OH-OE1 3.04Å; R222-E226 HydrophobicContact CB-CG 4.45Å; R222-E226 IonicContact CZ-OE1 2.72Å; R222-E226 IonicContact CZ-OE2 3Å; R222-E226 IonicContact NE-OE1 3.95Å; R222-E226 PolarHBondContact NE-OE1 3.14Å; R222-E226 IonicContact NE-OE2 2.7Å; R222-E226 PolarHBondContact NE-OE2 3.08Å; R222-E226 IonicContact NH2-OE1 3.73Å; R222-E226 PolarHBondContact NH2-OE1 3.33Å; R222-E226 IonicContact NH2-OE2 3.89Å; R222-E226 PolarHBondContact NH2-OE2 3.49Å; R222-E226 WeakPolarHBondContact O-CB 3.41Å; R222-E226 PolarHBondContact O-N 3.1Å; E223-E226 PolarHBondContact O-N 3.2Å; E226-W310 WeakPolarHBondContact OE1-CH2 3.29Å; E226-R313 IonicContact OE1-CZ 3.24Å; E226-R313 IonicContact OE1-NH2 3.92Å; E226-R313 PolarHBondContact OE1-NH2 3.03Å; E226-R313 IonicContact OE2-NH2 3.67Å; E226-P359 HydrophobicContact CB-CG 3.75Å; E226-P359 HydrophobicContact CG-CG 4.49Å; E226-P359 WeakPolarHBondContact OE2-CD 3.38Å
227	V	95.9	Very high	97.6	Very high	36 Å²	36	41.5 Å²	41.5	22%	0.218	20%	0.198	C	C	.	.	I	π-helix	trans	-113.8	-47.3	-174.3	-175.8	0	0	0	0	112.8	E223 P359	E223-V227 WeakPolarHBondContact O-CB 3.39Å; E223-V227 PolarHBondContact O-N 3.4Å; V227-P359 HydrophobicContact CG2-CB 3.65Å; V227-P359 HydrophobicContact CG2-CG 3.87Å
228	Q	96.6	Very high	97.6	Very high	52 Å²	52	41.6 Å²	41.6	24%	0.243	20%	0.199	C	C	.	.	I	π-helix	trans	-89.3	-46.5	-168.7	-53.4	174.2	1.4	0	0	112.9	P192 E223 K224 P230 E231 L232	P192-Q228 HydrophobicContact CG-CB 3.56Å; P192-Q228 HydrophobicContact CG-CG 3.95Å; E223-Q228 WeakPolarHBondContact OE1-CG 3.31Å; E223-Q228 PolarHBondContact OE1-NE2 2.85Å; E223-Q228 PolarHBondContact OE2-NE2 2.92Å; K224-Q228 WeakPolarHBondContact O-CA 3.3Å; K224-Q228 VanDerWaalsContact O-CB 3.32Å; K224-Q228 WeakPolarHBondContact O-CB 3.13Å; K224-Q228 PolarHBondContact O-N 2.88Å; Q228-P230 VanDerWaalsContact C-CD 3.49Å; Q228-E231 PolarHBondContact O-N 2.71Å; Q228-L232 PolarHBondContact O-N 3.33Å
229	L	97.3	Very high	97.6	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-34.9	-178.2	-61.1	-167.2	0	0	0	114.4	E213 A215 K224 V225 E231 L232 F233 A240	E213-L229 HydrophobicContact CB-CD2 4.24Å; E213-L229 HydrophobicContact CG-CD1 4.27Å; E213-L229 HydrophobicContact CG-CD2 3.94Å; A215-L229 HydrophobicContact CB-CD1 3.96Å; K224-L229 HydrophobicContact CG-CD2 4.32Å; K224-L229 HydrophobicContact CG-CG 4.29Å; K224-L229 WeakPolarHBondContact O-CG 3.46Å; K224-L229 PolarHBondContact O-N 3.1Å; V225-L229 HydrophobicContact CB-CD1 4.36Å; V225-L229 HydrophobicContact CG1-CD1 4.46Å; V225-L229 HydrophobicContact CG2-CD1 3.84Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.78Å; L229-L232 HydrophobicContact CD2-CD1 3.87Å; L229-L232 PolarHBondContact O-N 3.15Å; L229-F233 PolarHBondContact O-N 3.07Å; L229-A240 HydrophobicContact CD1-CB 3.57Å
230	P	97.2	Very high	97.6	Very high	32 Å²	32	41.6 Å²	41.6	21%	0.208	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-39	174.8	-26.9	37.3	0	0	0	112.5	V225 Q228 F233 H234	V225-P230 VanDerWaalsContact O-CD 3.31Å; V225-P230 WeakPolarHBondContact O-CD 3.43Å; Q228-P230 VanDerWaalsContact C-CD 3.49Å; P230-F233 PolarHBondContact O-N 2.95Å; P230-H234 PolarHBondContact O-CD2 3.33Å; P230-H234 PolarHBondContact O-N 2.98Å
231	E	95.9	Very high	97.6	Very high	99 Å²	99	40.4 Å²	40.4	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-65	-41.8	176.1	-70.9	-64.1	131.9	0	0	111.9	Q228 L229 H234 K235	Q228-E231 PolarHBondContact O-N 2.71Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.78Å; E231-H234 PolarHBondContact O-N 3.38Å; E231-K235 WeakPolarHBondContact O-CB 3.45Å; E231-K235 VanDerWaalsContact O-CG 3.23Å; E231-K235 WeakPolarHBondContact O-CG 3.28Å; E231-K235 PolarHBondContact O-N 3.14Å; E231-K235 VanDerWaalsContact OE2-CE 3.29Å; E231-K235 WeakPolarHBondContact OE2-CE 3.5Å; E231-K235 IonicContact OE2-NZ 3.93Å
232	L	97.9	Very high	97.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-41.3	175.1	-66.5	176	0	0	0	111.9	P192 I195 M196 Q228 L229 H234 K235 I236 G237 V238	P192-L232 HydrophobicContact CB-CD1 4.09Å; P192-L232 HydrophobicContact CB-CD2 4.39Å; P192-L232 HydrophobicContact CB-CG 4.43Å; I195-L232 HydrophobicContact CB-CD1 4.19Å; I195-L232 HydrophobicContact CD1-CD1 3.72Å; I195-L232 HydrophobicContact CG2-CD1 4.12Å; M196-L232 HydrophobicContact CE-CD2 3.92Å; Q228-L232 PolarHBondContact O-N 3.33Å; L229-L232 HydrophobicContact CD2-CD1 3.87Å; L229-L232 PolarHBondContact O-N 3.15Å; L232-H234 PolarHBondContact O-N 3.19Å; L232-K235 PolarHBondContact O-N 3.45Å; L232-I236 HydrophobicContact CB-CG1 4.42Å; L232-I236 HydrophobicContact CD2-CD1 4.15Å; L232-I236 HydrophobicContact CD2-CG1 4.48Å; L232-I236 WeakPolarHBondContact O-CG1 3.46Å; L232-I236 PolarHBondContact O-N 2.97Å; L232-G237 PolarHBondContact O-N 3.48Å; L232-G237 VanDerWaalsContact O-N 3.15Å; L232-V238 HydrophobicContact CB-CB 4.47Å
233	F	97.8	Very high	97.7	Very high	64 Å²	64	38 Å²	38	28%	0.281	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-47.8	174.9	175	-96.2	0	0	0	111.5	K44 L229 P230 G237 V238	K44-F233 VanDerWaalsContact CE-O 3.28Å; K44-F233 WeakPolarHBondContact CE-O 3.29Å; K44-F233 HydrophobicContact CG-CE2 3.93Å; K44-F233 HydrophobicContact CG-CZ 4.14Å; K44-F233 PolarHBondContact NZ-O 3.04Å; L229-F233 PolarHBondContact O-N 3.07Å; P230-F233 PolarHBondContact O-N 2.95Å; F233-G237 WeakPolarHBondContact O-CA 3.29Å; F233-G237 PolarHBondContact O-N 3.03Å; F233-V238 VanDerWaalsContact CA-O 3.29Å; F233-V238 WeakPolarHBondContact CA-O 3.35Å; F233-V238 WeakPolarHBondContact CB-O 3.3Å
234	H	97.1	Very high	97.8	Very high	123 Å²	123	34.6 Å²	34.6	57%	0.569	17%	0.168	S	C	*	.	H	α-helix	trans	-65.7	-45.4	-179.8	-70.5	-53.7	0	0	0	112.2	K44 P230 E231 L232	K44-H234 PolarHBondContact NZ-O 3.25Å; K44-H234 VanDerWaalsContact NZ-O 3.09Å; P230-H234 PolarHBondContact O-CD2 3.33Å; P230-H234 PolarHBondContact O-N 2.98Å; E231-H234 PolarHBondContact O-N 3.38Å; L232-H234 PolarHBondContact O-N 3.19Å
235	K	97.9	Very high	97.8	Very high	137 Å²	137	33.5 Å²	33.5	60%	0.596	16%	0.164	S	C	*	.	H	α-helix	trans	-74.6	-47.9	-174.6	-69.1	172.4	-172.5	-65.7	0	113.7	M196 E231 L232	M196-K235 HydrophobicContact CE-CB 4.48Å; M196-K235 HydrophobicContact CE-CD 4.46Å; E231-K235 WeakPolarHBondContact O-CB 3.45Å; E231-K235 VanDerWaalsContact O-CG 3.23Å; E231-K235 WeakPolarHBondContact O-CG 3.28Å; E231-K235 PolarHBondContact O-N 3.14Å; E231-K235 VanDerWaalsContact OE2-CE 3.29Å; E231-K235 WeakPolarHBondContact OE2-CE 3.5Å; E231-K235 IonicContact OE2-NZ 3.93Å; L232-K235 PolarHBondContact O-N 3.45Å
236	I	98.4	Very high	97.8	Very high	26 Å²	26	34.3 Å²	34.3	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-126.5	-2.9	-170	61	166.1	0	0	0	113.9	I195 M196 Y199 L232 V238	I195-I236 HydrophobicContact CG2-CD1 4.06Å; M196-I236 HydrophobicContact CE-CD1 4.2Å; M196-I236 HydrophobicContact CE-CG1 4.41Å; M196-I236 HydrophobicContact CE-CG2 3.78Å; M196-I236 HydrophobicContact SD-CG2 3.88Å; Y199-I236 HydrophobicContact CD1-CB 4.34Å; Y199-I236 HydrophobicContact CD1-CG2 3.53Å; Y199-I236 HydrophobicContact CD2-CB 3.68Å; Y199-I236 HydrophobicContact CD2-CD1 4.19Å; Y199-I236 HydrophobicContact CD2-CG2 3.83Å; Y199-I236 HydrophobicContact CE1-CB 4.34Å; Y199-I236 HydrophobicContact CE1-CG2 3.51Å; Y199-I236 HydrophobicContact CE2-CB 3.69Å; Y199-I236 HydrophobicContact CE2-CG2 3.81Å; Y199-I236 HydrophobicContact CG-CB 4.01Å; Y199-I236 HydrophobicContact CG-CD1 4.12Å; Y199-I236 HydrophobicContact CG-CG2 3.68Å; L232-I236 HydrophobicContact CB-CG1 4.42Å; L232-I236 HydrophobicContact CD2-CD1 4.15Å; L232-I236 HydrophobicContact CD2-CG1 4.48Å; L232-I236 WeakPolarHBondContact O-CG1 3.46Å; L232-I236 PolarHBondContact O-N 2.97Å; I236-V238 HydrophobicContact CD1-CB 4.43Å; I236-V238 HydrophobicContact CD1-CG2 3.56Å; I236-V238 HydrophobicContact CG1-CB 4.37Å; I236-V238 HydrophobicContact CG1-CG2 3.81Å
237	G	98.3	Very high	97.9	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	16%	0.161	C	C	.	.			trans	82.9	8.8	173	0	0	0	0	0	115.6	G43 K44 L232 F233 G239	G43-G237 WeakPolarHBondContact CA-O 3.44Å; K44-G237 PolarHBondContact N-O 2.74Å; L232-G237 PolarHBondContact O-N 3.48Å; L232-G237 VanDerWaalsContact O-N 3.15Å; F233-G237 WeakPolarHBondContact O-CA 3.29Å; F233-G237 PolarHBondContact O-N 3.03Å; G237-G239 PolarHBondContact O-N 3.44Å
238	V	98.5	Very high	97.9	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	16%	0.155	C	C	.	.			trans	-67.1	127.7	177.7	171.5	0	0	0	0	110.3	I195 P210 E213 L232 F233 I236	I195-V238 HydrophobicContact CG2-CG1 4.48Å; I195-V238 HydrophobicContact CG2-CG2 4.11Å; P210-V238 WeakPolarHBondContact O-CG2 3.43Å; E213-V238 HydrophobicContact CB-CG1 4.18Å; L232-V238 HydrophobicContact CB-CB 4.47Å; F233-V238 VanDerWaalsContact CA-O 3.29Å; F233-V238 WeakPolarHBondContact CA-O 3.35Å; F233-V238 WeakPolarHBondContact CB-O 3.3Å; I236-V238 HydrophobicContact CD1-CB 4.43Å; I236-V238 HydrophobicContact CD1-CG2 3.56Å; I236-V238 HydrophobicContact CG1-CB 4.37Å; I236-V238 HydrophobicContact CG1-CG2 3.81Å
239	G	98.2	Very high	97.8	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	166.9	174.5	0	0	0	0	0	113.6	I211 C212 E213 G237	I211-G239 PolarHBondContact O-N 2.94Å; C212-G239 WeakPolarHBondContact CA-O 3.49Å; E213-G239 PolarHBondContact N-O 3.31Å; G237-G239 PolarHBondContact O-N 3.44Å
240	A	98.7	Very high	97.8	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	173.4	0	0	0	0	0	110.9	L229 S318	L229-A240 HydrophobicContact CD1-CB 3.57Å; A240-S318 WeakPolarHBondContact O-CB 3.26Å; A240-S318 PolarHBondContact O-N 3.11Å
241	M	98.8	Very high	97.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.9	167.4	179.7	-175.3	-61.2	0	0	107.7	L42 L83 F156 C212 E213 Q214 A215 S319 L321	L42-M241 HydrophobicContact CD1-CB 4.35Å; L42-M241 HydrophobicContact CD1-CE 4.07Å; L42-M241 HydrophobicContact CD2-CE 3.88Å; L83-M241 HydrophobicContact CD1-CE 3.74Å; L83-M241 HydrophobicContact CD1-SD 4.36Å; L83-M241 HydrophobicContact CD2-CE 3.59Å; L83-M241 HydrophobicContact CD2-CG 4.31Å; L83-M241 HydrophobicContact CD2-SD 3.91Å; L83-M241 HydrophobicContact CG-CE 4.31Å; F156-M241 HydrophobicContact CE2-SD 4.41Å; F156-M241 HydrophobicContact CZ-CE 4.22Å; F156-M241 HydrophobicContact CZ-SD 4.21Å; C212-M241 WeakPolarHBondContact SG-CB 3.44Å; E213-M241 PolarHBondContact O-N 3.24Å; Q214-M241 CarbonylContact C-O 3.3Å; Q214-M241 WeakPolarHBondContact CA-O 3.48Å; Q214-M241 HydrophobicContact CG-CB 4.18Å; Q214-M241 HydrophobicContact CG-CG 4.09Å; Q214-M241 WeakPolarHBondContact CG-O 3.4Å; Q214-M241 HydrophobicContact CG-SD 4.15Å; Q214-M241 PolarHBondContact NE2-SD 3.38Å; Q214-M241 VanDerWaalsContact NE2-SD 3.45Å; A215-M241 PolarHBondContact N-O 2.8Å; A215-M241 VanDerWaalsContact N-O 3.13Å; M241-S319 CarbonylContact C-O 3.54Å; M241-S319 WeakPolarHBondContact CA-O 3.25Å; M241-L321 HydrophobicContact CG-CD1 4.03Å; M241-L321 HydrophobicContact CG-CD2 4.31Å; M241-L321 HydrophobicContact CG-CG 3.92Å; M241-L321 HydrophobicContact SD-CD1 3.91Å; M241-L321 HydrophobicContact SD-CD2 4.09Å; M241-L321 HydrophobicContact SD-CG 4.14Å
242	T	98.9	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.9	-169	66.5	0	0	0	0	113.3	A215 Y217 V225 V317 S319 V320 L321	A215-T242 CarbonylContact O-C 3.37Å; A215-T242 WeakPolarHBondContact O-CA 3.41Å; A215-T242 WeakPolarHBondContact O-CB 3.15Å; Y217-T242 HydrophobicContact CD1-CG2 3.95Å; Y217-T242 HydrophobicContact CG-CG2 4.13Å; V225-T242 HydrophobicContact CG1-CG2 4.08Å; V225-T242 HydrophobicContact CG2-CG2 4.25Å; T242-V317 HydrophobicContact CG2-CG1 3.94Å; T242-V317 HydrophobicContact CG2-CG2 4.05Å; T242-S319 PolarHBondContact N-O 3.26Å; T242-V320 WeakPolarHBondContact OG1-CG2 3.41Å; T242-L321 WeakPolarHBondContact O-CB 3.12Å; T242-L321 PolarHBondContact O-N 2.95Å
243	W	98.8	Very high	97.5	Very high	40 Å²	40	25.8 Å²	25.8	15%	0.152	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.7	179.9	55.4	-96.5	0	0	0	113.1	R189 Q214 A215 E216 Y217 L321	R189-W243 HydrophobicContact CG-CZ2 4.23Å; Q214-W243 PolarHBondContact O-NE1 3.25Å; A215-W243 VanDerWaalsContact O-CD1 3.31Å; A215-W243 PolarHBondContact O-N 2.77Å; E216-W243 HydrophobicContact CB-CD2 4.11Å; E216-W243 HydrophobicContact CB-CE3 4.04Å; E216-W243 HydrophobicContact CB-CH2 3.4Å; E216-W243 VanDerWaalsContact CB-CH2 3.4Å; E216-W243 HydrophobicContact CB-CZ2 3.49Å; E216-W243 VanDerWaalsContact CB-CZ2 3.49Å; E216-W243 HydrophobicContact CB-CZ3 3.69Å; E216-W243 VanDerWaalsContact CD-CH2 3.42Å; E216-W243 HydrophobicContact CG-CD2 4.41Å; E216-W243 HydrophobicContact CG-CE3 3.86Å; E216-W243 HydrophobicContact CG-CH2 3.6Å; E216-W243 HydrophobicContact CG-CZ2 4.2Å; E216-W243 HydrophobicContact CG-CZ3 3.41Å; E216-W243 VanDerWaalsContact CG-CZ3 3.41Å; E216-W243 VanDerWaalsContact N-CE2 3.26Å; E216-W243 WeakPolarHBondContact OE1-CZ3 3.36Å; E216-W243 WeakPolarHBondContact OE2-CH2 3.17Å; Y217-W243 PolarHBondContact N-O 2.65Å; W243-L321 HydrophobicContact CB-CD1 4.46Å
244	S	98.3	Very high	97.3	Very high	14 Å²	14	26.4 Å²	26.4	10%	0.098	14%	0.141	C	C	.	.			trans	51.1	50.2	-174.5	-71.1	0	0	0	0	114.4	H218 L246 A247	H218-S244 PolarHBondContact CD2-O 3.35Å; S244-L246 PolarHBondContact O-N 2.88Å; S244-A247 WeakPolarHBondContact O-CA 3.5Å; S244-A247 PolarHBondContact O-N 2.95Å
245	P	98.6	Very high	97	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.039	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.6	-177.9	27	-37	0	0	0	113.9	Y217 H218 I308 V320 L321 L322	Y217-P245 WeakPolarHBondContact O-CA 3.34Å; H218-P245 VanDerWaalsContact CB-O 3.29Å; H218-P245 WeakPolarHBondContact CB-O 3.28Å; P245-I308 HydrophobicContact CB-CG1 4.12Å; P245-I308 HydrophobicContact CG-CG1 4.28Å; P245-V320 HydrophobicContact CB-CG1 3.5Å; P245-V320 HydrophobicContact CG-CG1 3.6Å; P245-L321 WeakPolarHBondContact CD-O 3.47Å; P245-L322 HydrophobicContact CG-CD2 4.28Å
246	L	98.5	Very high	96.2	Very high	21 Å²	21	18.3 Å²	18.3	11%	0.11	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	15.2	176.7	-56.7	-177.5	0	0	0	113.3	S244 C248 G249 I250 I251 P304 A307 I308	S244-L246 PolarHBondContact O-N 2.88Å; L246-C248 PolarHBondContact O-N 3.49Å; L246-G249 CarbonylContact O-C 3.49Å; L246-G249 WeakPolarHBondContact O-CA 3.33Å; L246-G249 PolarHBondContact O-N 2.83Å; L246-I250 PolarHBondContact O-N 3.37Å; L246-I251 HydrophobicContact CB-CB 4.47Å; L246-I251 HydrophobicContact CD2-CB 4.44Å; L246-I251 HydrophobicContact CD2-CG2 4.36Å; L246-I251 PolarHBondContact O-N 2.62Å; L246-P304 HydrophobicContact CD1-CB 3.97Å; L246-P304 HydrophobicContact CD2-CB 4.02Å; L246-A307 HydrophobicContact CD2-CB 3.79Å; L246-I308 HydrophobicContact CD1-CD1 4.41Å; L246-I308 HydrophobicContact CD2-CD1 4.22Å; L246-I308 HydrophobicContact CD2-CG1 4Å; L246-I308 HydrophobicContact CG-CD1 4.4Å; L246-I308 HydrophobicContact CG-CG1 4.42Å
247	A	97.4	Very high	94.9	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.033	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	47.1	57.3	-175	0	0	0	0	0	111.9	S244 G249 I250 I251	S244-A247 WeakPolarHBondContact O-CA 3.5Å; S244-A247 PolarHBondContact O-N 2.95Å; A247-G249 PolarHBondContact O-N 2.77Å; A247-I250 HydrophobicContact CB-CB 4.07Å; A247-I250 HydrophobicContact CB-CD1 4.49Å; A247-I250 VanDerWaalsContact O-CB 3.3Å; A247-I250 WeakPolarHBondContact O-CB 3.36Å; A247-I250 WeakPolarHBondContact O-CD1 3.4Å; A247-I250 WeakPolarHBondContact O-CG1 3.49Å; A247-I250 PolarHBondContact O-N 2.9Å; A247-I250 VanDerWaalsContact O-N 3.15Å; A247-I251 HydrophobicContact CB-CD1 3.91Å; A247-I251 HydrophobicContact CB-CG1 4.09Å
248	C	95.9	Very high	94.3	Very high	15 Å²	15	28.4 Å²	28.4	10%	0.101	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	60	21.3	-174.7	-66.1	0	0	0	0	115.5	L246 L273	L246-C248 PolarHBondContact O-N 3.49Å; C248-L273 HydrophobicContact CB-CD1 3.81Å; C248-L273 HydrophobicContact CB-CD2 3.77Å; C248-L273 HydrophobicContact CB-CG 4.48Å
249	G	95.9	Very high	94	Very high	10 Å²	10	30 Å²	30	10%	0.103	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	98.6	-2.2	-179	0	0	0	0	0	114	L246 A247 I251 S252	L246-G249 CarbonylContact O-C 3.49Å; L246-G249 WeakPolarHBondContact O-CA 3.33Å; L246-G249 PolarHBondContact O-N 2.83Å; A247-G249 PolarHBondContact O-N 2.77Å; G249-I251 VanDerWaalsContact C-N 3.28Å; G249-I251 PolarHBondContact O-N 3.42Å; G249-S252 PolarHBondContact O-N 2.73Å; G249-S252 PolarHBondContact O-OG 2.83Å
250	I	96.4	Very high	93.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.9	-44.7	175.5	-67.7	174.3	0	0	0	110.9	L246 A247 S252 G253 Y255 L273 I277 Q286 L289	L246-I250 PolarHBondContact O-N 3.37Å; A247-I250 HydrophobicContact CB-CB 4.07Å; A247-I250 HydrophobicContact CB-CD1 4.49Å; A247-I250 VanDerWaalsContact O-CB 3.3Å; A247-I250 WeakPolarHBondContact O-CB 3.36Å; A247-I250 WeakPolarHBondContact O-CD1 3.4Å; A247-I250 WeakPolarHBondContact O-CG1 3.49Å; A247-I250 PolarHBondContact O-N 2.9Å; A247-I250 VanDerWaalsContact O-N 3.15Å; I250-S252 PolarHBondContact O-N 2.86Å; I250-G253 PolarHBondContact O-N 2.85Å; I250-Y255 HydrophobicContact CG1-CD2 4.38Å; I250-Y255 HydrophobicContact CG1-CE2 4.49Å; I250-L273 HydrophobicContact CD1-CD1 4.02Å; I250-L273 HydrophobicContact CG1-CD1 4.47Å; I250-I277 HydrophobicContact CD1-CG1 3.87Å; I250-I277 HydrophobicContact CG1-CD1 4.19Å; I250-I277 HydrophobicContact CG1-CG1 3.8Å; I250-Q286 PolarHBondContact O-NE2 3.3Å; I250-L289 HydrophobicContact CG2-CD1 4.45Å; I250-L289 WeakPolarHBondContact O-CD1 3.36Å
251	I	97.3	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-71.9	-10.7	-174.8	-64.2	168.3	0	0	0	112.5	H218 M219 F220 L246 A247 G249 G253 L289 L303 A307	H218-I251 HydrophobicContact CB-CD1 3.72Å; M219-I251 HydrophobicContact CB-CD1 4.38Å; F220-I251 HydrophobicContact CD2-CD1 4.15Å; F220-I251 HydrophobicContact CD2-CG1 4Å; F220-I251 HydrophobicContact CE2-CD1 4.34Å; F220-I251 HydrophobicContact CE2-CG1 3.77Å; L246-I251 HydrophobicContact CB-CB 4.47Å; L246-I251 HydrophobicContact CD2-CB 4.44Å; L246-I251 HydrophobicContact CD2-CG2 4.36Å; L246-I251 PolarHBondContact O-N 2.62Å; A247-I251 HydrophobicContact CB-CD1 3.91Å; A247-I251 HydrophobicContact CB-CG1 4.09Å; G249-I251 VanDerWaalsContact C-N 3.28Å; G249-I251 PolarHBondContact O-N 3.42Å; I251-G253 PolarHBondContact O-N 3.27Å; I251-L289 HydrophobicContact CB-CD2 4.2Å; I251-L289 HydrophobicContact CG1-CD2 4.24Å; I251-L289 HydrophobicContact CG2-CD2 3.93Å; I251-L303 HydrophobicContact CG2-CG 4.5Å; I251-L303 WeakPolarHBondContact O-CD2 3.36Å; I251-L303 VanDerWaalsContact O-CG 3.24Å; I251-L303 WeakPolarHBondContact O-CG 3.35Å; I251-A307 HydrophobicContact CG2-CB 3.41Å; I251-A307 VanDerWaalsContact CG2-CB 3.41Å
252	S	95.6	Very high	93.1	Very high	35 Å²	35	46.1 Å²	46.1	25%	0.245	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-74.3	-3.8	174.5	92.8	0	0	0	0	113.6	G249 I250 K254	G249-S252 PolarHBondContact O-N 2.73Å; G249-S252 PolarHBondContact O-OG 2.83Å; I250-S252 PolarHBondContact O-N 2.86Å; S252-K254 PolarHBondContact O-N 3.43Å; S252-K254 WeakPolarHBondContact OG-CB 3.29Å; S252-K254 WeakPolarHBondContact OG-CE 3.45Å; S252-K254 WeakPolarHBondContact OG-CG 3.16Å; S252-K254 PolarHBondContact OG-N 3.19Å
253	G	92.4	Very high	92.9	Very high	28 Å²	28	46.6 Å²	46.6	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	2.7	-175	0	0	0	0	0	115	I250 I251 Y255	I250-G253 PolarHBondContact O-N 2.85Å; I251-G253 PolarHBondContact O-N 3.27Å; G253-Y255 PolarHBondContact O-N 2.83Å; G253-Y255 VanDerWaalsContact O-N 3.09Å
254	K	93.1	Very high	92.7	Very high	77 Å²	77	46.2 Å²	46.2	34%	0.335	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.9	-174.4	73.8	-177.9	74.7	-175.4	0	114.3	S252 P260	S252-K254 PolarHBondContact O-N 3.43Å; S252-K254 WeakPolarHBondContact OG-CB 3.29Å; S252-K254 WeakPolarHBondContact OG-CE 3.45Å; S252-K254 WeakPolarHBondContact OG-CG 3.16Å; S252-K254 PolarHBondContact OG-N 3.19Å; K254-P260 WeakPolarHBondContact O-CG 3.49Å
255	Y	91.7	Very high	92.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.7	-170.8	-64.9	-70.8	0	0	0	114.2	I250 G253 G257 R258 V259 S263 A265 I277	I250-Y255 HydrophobicContact CG1-CD2 4.38Å; I250-Y255 HydrophobicContact CG1-CE2 4.49Å; G253-Y255 PolarHBondContact O-N 2.83Å; G253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-G257 VanDerWaalsContact C-N 3.3Å; Y255-G257 PolarHBondContact O-N 3Å; Y255-R258 CarbonylContact C-O 3.42Å; Y255-R258 VanDerWaalsContact CA-O 3.25Å; Y255-R258 WeakPolarHBondContact CA-O 3.39Å; Y255-R258 PolarHBondContact O-N 3.04Å; Y255-V259 HydrophobicContact CE1-CG1 4.45Å; Y255-S263 WeakPolarHBondContact CE1-OG 3.32Å; Y255-S263 WeakPolarHBondContact OH-CB 3.04Å; Y255-A265 HydrophobicContact CE1-CB 3.75Å; Y255-A265 PolarHBondContact OH-N 2.89Å; Y255-I277 HydrophobicContact CD1-CD1 3.77Å; Y255-I277 HydrophobicContact CD1-CG2 4.27Å; Y255-I277 HydrophobicContact CD2-CD1 3.93Å; Y255-I277 HydrophobicContact CE1-CD1 3.75Å; Y255-I277 HydrophobicContact CE2-CD1 3.87Å; Y255-I277 HydrophobicContact CG-CD1 3.85Å; Y255-I277 HydrophobicContact CG-CG1 4.42Å; Y255-I277 HydrophobicContact CG-CG2 4.11Å
256	D	80.7	Confident	92.4	Very high	88 Å²	88	48.1 Å²	48.1	47%	0.471	27%	0.266	S	S	.	.	S	Bend	trans	-50.2	83.9	-178.3	-171.2	27.6	0	0	0	113.2	R258 K290	D256-R258 PolarHBondContact O-N 3.35Å; D256-K290 WeakPolarHBondContact OD1-CE 3.36Å; D256-K290 IonicContact OD1-NZ 2.61Å; D256-K290 PolarHBondContact OD1-NZ 3.37Å; D256-K290 IonicContact OD2-NZ 2.68Å; D256-K290 PolarHBondContact OD2-NZ 2.89Å
257	G	71.4	Confident	92.2	Very high	63 Å²	63	49.5 Å²	49.5	65%	0.649	27%	0.273	S	S	*	.	S	Bend	trans	70.2	0.3	-175.6	0	0	0	0	0	116.7	Y255	Y255-G257 VanDerWaalsContact C-N 3.3Å; Y255-G257 PolarHBondContact O-N 3Å
258	R	85.4	Confident	92	Very high	183 Å²	183	59.3 Å²	59.3	69%	0.691	32%	0.315	S	S	*	.	S	Bend	trans	-144.5	162.8	-174.7	64.8	-175.3	178.2	-174.2	-1.4	113.2	Y255 D256 P260	Y255-R258 CarbonylContact C-O 3.42Å; Y255-R258 VanDerWaalsContact CA-O 3.25Å; Y255-R258 WeakPolarHBondContact CA-O 3.39Å; Y255-R258 PolarHBondContact O-N 3.04Å; D256-R258 PolarHBondContact O-N 3.35Å; R258-P260 WeakPolarHBondContact O-CD 3.46Å
259	V	92.4	Very high	91.8	Very high	38 Å²	38	61.6 Å²	61.6	23%	0.23	34%	0.341	C	S	.	.			trans	-104.6	105.1	172.7	178.8	0	0	0	0	109	Y255 A265 K274	Y255-V259 HydrophobicContact CE1-CG1 4.45Å; V259-A265 HydrophobicContact CG1-CB 3.95Å; V259-K274 HydrophobicContact CG2-CD 4.36Å; V259-K274 HydrophobicContact CG2-CG 4.06Å
260	P	93.1	Very high	91.8	Very high	33 Å²	33	62.9 Å²	62.9	21%	0.214	34%	0.343	C	S	.	.			trans	-61.8	145.9	177.4	-22.2	32.9	0	0	0	111.7	K254 R258 S263	K254-P260 WeakPolarHBondContact O-CG 3.49Å; R258-P260 WeakPolarHBondContact O-CD 3.46Å; P260-S263 VanDerWaalsContact O-CB 3.22Å; P260-S263 WeakPolarHBondContact O-CB 3.34Å; P260-S263 PolarHBondContact O-N 3.31Å; P260-S263 PolarHBondContact O-OG 3.5Å
261	P	91.8	Very high	91.7	Very high	103 Å²	103	67.5 Å²	67.5	67%	0.669	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	148.8	167.3	-23.8	33.9	0	0	0	111.5	S263	P261-S263 PolarHBondContact O-N 2.96Å
262	Y	91.4	Very high	91.7	Very high	206 Å²	206	73.1 Å²	73.1	81%	0.808	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	1.7	180	-48.8	-74	0	0	0	115.7	Q63 S266	Q63-Y262 PolarHBondContact NE2-O 3.25Å; Y262-S266 PolarHBondContact N-OG 2.88Å
263	S	94.6	Very high	91.6	Very high	10 Å²	10	71.5 Å²	71.5	7%	0.07	37%	0.374	C	S	.	.	S	Bend	trans	-72.1	158.1	171.5	77.1	0	0	0	0	110.6	Y255 P260 P261 A265 S266	Y255-S263 WeakPolarHBondContact CE1-OG 3.32Å; Y255-S263 WeakPolarHBondContact OH-CB 3.04Å; P260-S263 VanDerWaalsContact O-CB 3.22Å; P260-S263 WeakPolarHBondContact O-CB 3.34Å; P260-S263 PolarHBondContact O-N 3.31Å; P260-S263 PolarHBondContact O-OG 3.5Å; P261-S263 PolarHBondContact O-N 2.96Å; S263-A265 PolarHBondContact O-N 2.95Å; S263-S266 PolarHBondContact N-OG 2.99Å; S263-S266 PolarHBondContact O-N 3.15Å; S263-S266 PolarHBondContact O-OG 2.96Å
264	R	94.8	Very high	91.7	Very high	33 Å²	33	73.8 Å²	73.8	13%	0.125	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-53.3	-42	179.2	-176.6	176.4	-71.2	-170	-3.9	112.2	V58 S266 L267 Y270 L273	V58-R264 HydrophobicContact CG1-CG 4.25Å; V58-R264 VanDerWaalsContact CG2-CZ 3.45Å; R264-S266 PolarHBondContact O-N 2.93Å; R264-L267 WeakPolarHBondContact O-CB 3.42Å; R264-L267 WeakPolarHBondContact O-CG 3.35Å; R264-L267 PolarHBondContact O-N 3.44Å; R264-L267 VanDerWaalsContact O-N 3.12Å; R264-Y270 HydrophobicContact CG-CD1 3.76Å; R264-Y270 HydrophobicContact CG-CE1 3.98Å; R264-Y270 HydrophobicContact CG-CG 4.28Å; R264-Y270 VanDerWaalsContact O-CB 3.3Å; R264-Y270 WeakPolarHBondContact O-CB 3.38Å; R264-L273 HydrophobicContact CB-CD2 4.05Å; R264-L273 HydrophobicContact CG-CD2 3.69Å
265	A	95.3	Very high	91.8	Very high	3 Å²	3	74.2 Å²	74.2	3%	0.025	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-68.7	-12.7	178.9	0	0	0	0	0	114.7	Y255 V259 S263 L273 K274 I277	Y255-A265 HydrophobicContact CE1-CB 3.75Å; Y255-A265 PolarHBondContact OH-N 2.89Å; V259-A265 HydrophobicContact CG1-CB 3.95Å; S263-A265 PolarHBondContact O-N 2.95Å; A265-L273 HydrophobicContact CB-CD2 4.08Å; A265-L273 HydrophobicContact CB-CG 4.05Å; A265-K274 HydrophobicContact CB-CB 4.41Å; A265-I277 HydrophobicContact CB-CD1 3.52Å
266	S	95.2	Very high	91.9	Very high	57 Å²	57	78.2 Å²	78.2	40%	0.399	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-90.2	-8.1	171.5	67.7	0	0	0	0	114	Y262 S263 R264	Y262-S266 PolarHBondContact N-OG 2.88Å; S263-S266 PolarHBondContact N-OG 2.99Å; S263-S266 PolarHBondContact O-N 3.15Å; S263-S266 PolarHBondContact O-OG 2.96Å; R264-S266 PolarHBondContact O-N 2.93Å
267	L	93.9	Very high	92.5	Very high	49 Å²	49	74.2 Å²	74.2	26%	0.257	38%	0.378	S	S	.	.	S	Bend	trans	-75.2	146.4	-177.3	-59.4	177.3	0	0	0	111.7	V58 Q63 R264 G269 Y270	V58-L267 HydrophobicContact CG1-CD1 3.78Å; Q63-L267 HydrophobicContact CB-CD1 4.15Å; Q63-L267 HydrophobicContact CG-CD1 3.88Å; Q63-L267 HydrophobicContact CG-CD2 4.35Å; R264-L267 WeakPolarHBondContact O-CB 3.42Å; R264-L267 WeakPolarHBondContact O-CG 3.35Å; R264-L267 PolarHBondContact O-N 3.44Å; R264-L267 VanDerWaalsContact O-N 3.12Å; L267-G269 PolarHBondContact O-N 3.22Å; L267-Y270 HydrophobicContact CB-CD2 3.66Å; L267-Y270 HydrophobicContact CB-CE2 4.33Å; L267-Y270 HydrophobicContact CB-CG 4.36Å; L267-Y270 HydrophobicContact CD1-CD2 4.41Å; L267-Y270 HydrophobicContact CD1-CE2 4.42Å; L267-Y270 PolarHBondContact O-N 3.38Å; L267-Y270 VanDerWaalsContact O-N 3.11Å
268	K	93.1	Very high	93.6	Very high	211 Å²	211	75 Å²	75	92%	0.917	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	133.7	171.2	-173.7	178.2	179	179.7	0	109.9
269	G	93.1	Very high	94	Very high	63 Å²	63	68.3 Å²	68.3	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-3	-176.6	0	0	0	0	0	115.1	L267	L267-G269 PolarHBondContact O-N 3.22Å
270	Y	94.9	Very high	94.1	Very high	36 Å²	36	72.6 Å²	72.6	14%	0.141	37%	0.366	C	S	.	.			trans	-109.1	23.9	178.7	-70	-94.5	0	0	0	113.5	W57 V58 R264 L267 W272 L273 K274	W57-Y270 HydrophobicContact CZ2-CE1 4.27Å; V58-Y270 HydrophobicContact CG1-CE1 4.27Å; V58-Y270 HydrophobicContact CG1-CE2 4.09Å; V58-Y270 WeakPolarHBondContact CG1-OH 3.23Å; V58-Y270 HydrophobicContact CG2-CE1 3.74Å; V58-Y270 WeakPolarHBondContact CG2-OH 3.37Å; R264-Y270 HydrophobicContact CG-CD1 3.76Å; R264-Y270 HydrophobicContact CG-CE1 3.98Å; R264-Y270 HydrophobicContact CG-CG 4.28Å; R264-Y270 VanDerWaalsContact O-CB 3.3Å; R264-Y270 WeakPolarHBondContact O-CB 3.38Å; L267-Y270 HydrophobicContact CB-CD2 3.66Å; L267-Y270 HydrophobicContact CB-CE2 4.33Å; L267-Y270 HydrophobicContact CB-CG 4.36Å; L267-Y270 HydrophobicContact CD1-CD2 4.41Å; L267-Y270 HydrophobicContact CD1-CE2 4.42Å; L267-Y270 PolarHBondContact O-N 3.38Å; L267-Y270 VanDerWaalsContact O-N 3.11Å; Y270-W272 AromaticContact CD1-CZ2 4Å; Y270-W272 HydrophobicContact CD1-CZ2 4Å; Y270-W272 AromaticContact CD1-NE1 3.95Å; Y270-W272 HydrophobicContact CE1-CZ2 4.26Å; Y270-W272 PolarHBondContact O-N 3.5Å; Y270-L273 WeakPolarHBondContact O-CB 3.13Å; Y270-L273 PolarHBondContact O-N 3.47Å; Y270-K274 PolarHBondContact O-N 2.84Å
271	Q	95.1	Very high	94.2	Very high	99 Å²	99	75 Å²	75	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-38.2	177.7	-172.6	58.1	46.4	0	0	111.7	L273 K274 D275	Q271-L273 PolarHBondContact O-N 2.81Å; Q271-K274 WeakPolarHBondContact O-CA 3.44Å; Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 3.48Å; Q271-D275 PolarHBondContact NE2-OD1 3.23Å; Q271-D275 PolarHBondContact O-N 3.05Å
272	W	95.9	Very high	94.3	Very high	119 Å²	119	70.2 Å²	70.2	45%	0.451	34%	0.344	S	S	.	.	H	α-helix	trans	-55.6	-35.2	174.3	67.9	-93.1	0	0	0	113.2	W57 Y270 K276	W57-W272 HydrophobicContact CH2-CH2 4.17Å; W57-W272 HydrophobicContact CH2-CZ2 4.02Å; W57-W272 HydrophobicContact CZ2-CZ2 4.31Å; Y270-W272 AromaticContact CD1-CZ2 4Å; Y270-W272 HydrophobicContact CD1-CZ2 4Å; Y270-W272 AromaticContact CD1-NE1 3.95Å; Y270-W272 HydrophobicContact CE1-CZ2 4.26Å; Y270-W272 PolarHBondContact O-N 3.5Å; W272-K276 WeakPolarHBondContact O-CB 3.48Å; W272-K276 PolarHBondContact O-N 3.25Å
273	L	94.8	Very high	94.4	Very high	1 Å²	1	68 Å²	68	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-75.8	-40.1	178.2	178.9	62.2	0	0	0	110.5	C248 I250 R264 A265 Y270 Q271 K276 I277	C248-L273 HydrophobicContact CB-CD1 3.81Å; C248-L273 HydrophobicContact CB-CD2 3.77Å; C248-L273 HydrophobicContact CB-CG 4.48Å; I250-L273 HydrophobicContact CD1-CD1 4.02Å; I250-L273 HydrophobicContact CG1-CD1 4.47Å; R264-L273 HydrophobicContact CB-CD2 4.05Å; R264-L273 HydrophobicContact CG-CD2 3.69Å; A265-L273 HydrophobicContact CB-CD2 4.08Å; A265-L273 HydrophobicContact CB-CG 4.05Å; Y270-L273 WeakPolarHBondContact O-CB 3.13Å; Y270-L273 PolarHBondContact O-N 3.47Å; Q271-L273 PolarHBondContact O-N 2.81Å; L273-K276 PolarHBondContact O-N 3.03Å; L273-I277 HydrophobicContact CD1-CD1 4.18Å; L273-I277 HydrophobicContact CD1-CG1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CD1 3.41Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.23Å; L273-I277 PolarHBondContact O-N 3.42Å
274	K	94.2	Very high	94.4	Very high	76 Å²	76	73.6 Å²	73.6	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-46.2	172.9	174.6	168.1	177.8	-170.7	0	111.2	V259 A265 Y270 Q271 K276 I277 L278	V259-K274 HydrophobicContact CG2-CD 4.36Å; V259-K274 HydrophobicContact CG2-CG 4.06Å; A265-K274 HydrophobicContact CB-CB 4.41Å; Y270-K274 PolarHBondContact O-N 2.84Å; Q271-K274 WeakPolarHBondContact O-CA 3.44Å; Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 3.48Å; K274-K276 PolarHBondContact O-N 3.2Å; K274-I277 PolarHBondContact O-N 2.77Å; K274-L278 HydrophobicContact CG-CD1 3.87Å; K274-L278 HydrophobicContact CG-CG 4.5Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 3.08Å
275	D	94.8	Very high	94.4	Very high	86 Å²	86	72.8 Å²	72.8	46%	0.46	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.8	-60.7	-22.9	0	0	0	111	Q271 I277 L278 S279	Q271-D275 PolarHBondContact NE2-OD1 3.23Å; Q271-D275 PolarHBondContact O-N 3.05Å; D275-I277 PolarHBondContact O-N 2.98Å; D275-L278 PolarHBondContact O-N 3.45Å; D275-S279 WeakPolarHBondContact O-CB 3.05Å; D275-S279 PolarHBondContact O-N 2.92Å
276	K	94.1	Very high	94.3	Very high	85 Å²	85	73.3 Å²	73.3	37%	0.37	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-44.8	173.9	-173.9	174.9	-177.9	176	0	112	W272 L273 K274 S279 G282	W272-K276 WeakPolarHBondContact O-CB 3.48Å; W272-K276 PolarHBondContact O-N 3.25Å; L273-K276 PolarHBondContact O-N 3.03Å; K274-K276 PolarHBondContact O-N 3.2Å; K276-S279 WeakPolarHBondContact O-CB 3.49Å; K276-S279 PolarHBondContact O-OG 2.95Å; K276-G282 WeakPolarHBondContact O-CA 3.49Å
277	I	93.6	Very high	94.3	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-44.4	179.1	-72.8	161.7	0	0	0	111.7	I250 Y255 A265 L273 K274 D275 S279	I250-I277 HydrophobicContact CD1-CG1 3.87Å; I250-I277 HydrophobicContact CG1-CD1 4.19Å; I250-I277 HydrophobicContact CG1-CG1 3.8Å; Y255-I277 HydrophobicContact CD1-CD1 3.77Å; Y255-I277 HydrophobicContact CD1-CG2 4.27Å; Y255-I277 HydrophobicContact CD2-CD1 3.93Å; Y255-I277 HydrophobicContact CE1-CD1 3.75Å; Y255-I277 HydrophobicContact CE2-CD1 3.87Å; Y255-I277 HydrophobicContact CG-CD1 3.85Å; Y255-I277 HydrophobicContact CG-CG1 4.42Å; Y255-I277 HydrophobicContact CG-CG2 4.11Å; A265-I277 HydrophobicContact CB-CD1 3.52Å; L273-I277 HydrophobicContact CD1-CD1 4.18Å; L273-I277 HydrophobicContact CD1-CG1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CD1 3.41Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.23Å; L273-I277 PolarHBondContact O-N 3.42Å; K274-I277 PolarHBondContact O-N 2.77Å; D275-I277 PolarHBondContact O-N 2.98Å; I277-S279 VanDerWaalsContact C-N 3.32Å
278	L	93.7	Very high	94.5	Very high	79 Å²	79	73.7 Å²	73.7	41%	0.414	36%	0.355	S	S	.	.	H	α-helix	trans	-81.6	-11.3	-176.4	-63.2	177.5	0	0	0	113.4	K274 D275	K274-L278 HydrophobicContact CG-CD1 3.87Å; K274-L278 HydrophobicContact CG-CG 4.5Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 3.08Å; D275-L278 PolarHBondContact O-N 3.45Å
279	S	94.7	Very high	94.7	Very high	43 Å²	43	63.8 Å²	63.8	30%	0.301	31%	0.313	S	S	.	.	S	Bend	trans	-60	162.9	174.1	75.5	0	0	0	0	112.4	D275 K276 I277 E281 G282 R283	D275-S279 WeakPolarHBondContact O-CB 3.05Å; D275-S279 PolarHBondContact O-N 2.92Å; K276-S279 WeakPolarHBondContact O-CB 3.49Å; K276-S279 PolarHBondContact O-OG 2.95Å; I277-S279 VanDerWaalsContact C-N 3.32Å; S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 PolarHBondContact O-N 3.49Å; S279-G282 PolarHBondContact O-N 2.98Å; S279-G282 PolarHBondContact OG-N 3.12Å; S279-R283 PolarHBondContact O-N 3.3Å
280	E	94.9	Very high	94.8	Very high	128 Å²	128	66.7 Å²	66.7	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-59.5	-40.7	173.4	-171.5	-174.7	160.7	0	0	112.3	R283 R284	E280-R283 PolarHBondContact O-N 3.35Å; E280-R284 WeakPolarHBondContact O-CG 3.21Å; E280-R284 PolarHBondContact O-N 3.07Å; E280-R284 PolarHBondContact O-NE 2.82Å
281	E	94.3	Very high	94.9	Very high	84 Å²	84	70 Å²	70	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.1	174.5	-178.4	54.7	-146.3	0	0	111.8	S279 R283 R284 Q285	S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 PolarHBondContact O-N 3.49Å; E281-R283 VanDerWaalsContact C-N 3.32Å; E281-R283 PolarHBondContact O-N 3.12Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE2-CZ 3.91Å; E281-R284 IonicContact OE2-NE 2.88Å; E281-R284 PolarHBondContact OE2-NE 2.95Å; E281-R284 IonicContact OE2-NH1 3.49Å; E281-R284 IonicContact OE2-NH2 2.76Å; E281-R284 PolarHBondContact OE2-NH2 2.9Å; E281-Q285 WeakPolarHBondContact O-CG 3.46Å; E281-Q285 PolarHBondContact O-N 3.27Å; E281-Q285 PolarHBondContact OE1-NE2 3.28Å
282	G	93.8	Very high	95.1	Very high	2 Å²	2	65.2 Å²	65.2	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-43.1	175.6	0	0	0	0	0	112.5	K276 S279 Q285 Q286	K276-G282 WeakPolarHBondContact O-CA 3.49Å; S279-G282 PolarHBondContact O-N 2.98Å; S279-G282 PolarHBondContact OG-N 3.12Å; G282-Q285 WeakPolarHBondContact O-CB 3.48Å; G282-Q285 PolarHBondContact O-N 2.58Å; G282-Q286 WeakPolarHBondContact O-CG 3.36Å; G282-Q286 PolarHBondContact O-N 3.07Å
283	R	93	Very high	95.2	Very high	160 Å²	160	62.7 Å²	62.7	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-65.2	-40.5	175.5	-72	-173.7	-77.3	176.1	-0.3	112.8	S279 E280 E281 Q285 Q286 A287	S279-R283 PolarHBondContact O-N 3.3Å; E280-R283 PolarHBondContact O-N 3.35Å; E281-R283 VanDerWaalsContact C-N 3.32Å; E281-R283 PolarHBondContact O-N 3.12Å; R283-Q285 VanDerWaalsContact C-N 3.31Å; R283-Q285 PolarHBondContact O-N 3.44Å; R283-Q286 PolarHBondContact O-N 3.42Å; R283-A287 PolarHBondContact O-N 3.28Å
284	R	94.8	Very high	95.3	Very high	127 Å²	127	64.9 Å²	64.9	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-38.8	173.7	-73.8	180	-69	172.8	5.7	111.9	E280 E281 A287 K288	E280-R284 WeakPolarHBondContact O-CG 3.21Å; E280-R284 PolarHBondContact O-N 3.07Å; E280-R284 PolarHBondContact O-NE 2.82Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE2-CZ 3.91Å; E281-R284 IonicContact OE2-NE 2.88Å; E281-R284 PolarHBondContact OE2-NE 2.95Å; E281-R284 IonicContact OE2-NH1 3.49Å; E281-R284 IonicContact OE2-NH2 2.76Å; E281-R284 PolarHBondContact OE2-NH2 2.9Å; R284-A287 PolarHBondContact O-N 2.84Å; R284-K288 PolarHBondContact O-N 3.21Å
285	Q	95.4	Very high	95.5	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-43.4	173.2	-69.2	173.7	11.1	0	0	111.6	F220 E281 G282 R283 A287 K288 L289	F220-Q285 HydrophobicContact CD1-CB 4.4Å; F220-Q285 HydrophobicContact CD1-CG 3.77Å; F220-Q285 HydrophobicContact CD2-CB 4.27Å; F220-Q285 HydrophobicContact CD2-CG 4.1Å; F220-Q285 HydrophobicContact CE1-CB 4Å; F220-Q285 HydrophobicContact CE1-CG 3.83Å; F220-Q285 HydrophobicContact CE2-CB 3.85Å; F220-Q285 HydrophobicContact CE2-CG 4.14Å; F220-Q285 HydrophobicContact CG-CG 3.92Å; F220-Q285 HydrophobicContact CZ-CB 3.71Å; F220-Q285 HydrophobicContact CZ-CG 4.01Å; E281-Q285 WeakPolarHBondContact O-CG 3.46Å; E281-Q285 PolarHBondContact O-N 3.27Å; E281-Q285 PolarHBondContact OE1-NE2 3.28Å; G282-Q285 WeakPolarHBondContact O-CB 3.48Å; G282-Q285 PolarHBondContact O-N 2.58Å; R283-Q285 VanDerWaalsContact C-N 3.31Å; R283-Q285 PolarHBondContact O-N 3.44Å; Q285-A287 VanDerWaalsContact C-N 3.3Å; Q285-A287 PolarHBondContact O-N 2.94Å; Q285-K288 PolarHBondContact O-N 3.24Å; Q285-L289 WeakPolarHBondContact O-CG 3.35Å; Q285-L289 PolarHBondContact O-N 3.19Å
286	Q	93.9	Very high	95.7	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-37.1	176	-67.3	-57.7	-54.2	0	0	112.8	I250 G282 R283 L289 K290	I250-Q286 PolarHBondContact O-NE2 3.3Å; G282-Q286 WeakPolarHBondContact O-CG 3.36Å; G282-Q286 PolarHBondContact O-N 3.07Å; R283-Q286 PolarHBondContact O-N 3.42Å; Q286-L289 WeakPolarHBondContact O-CB 3.27Å; Q286-L289 PolarHBondContact O-N 2.9Å; Q286-K290 PolarHBondContact O-N 3.33Å
287	A	95.2	Very high	95.9	Very high	53 Å²	53	59.2 Å²	59.2	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-47.8	174.7	0	0	0	0	0	111.6	R283 R284 Q285 L289 K290	R283-A287 PolarHBondContact O-N 3.28Å; R284-A287 PolarHBondContact O-N 2.84Å; Q285-A287 VanDerWaalsContact C-N 3.3Å; Q285-A287 PolarHBondContact O-N 2.94Å; A287-L289 VanDerWaalsContact C-N 3.26Å; A287-L289 PolarHBondContact O-N 3.46Å; A287-K290 WeakPolarHBondContact O-CB 3.48Å; A287-K290 PolarHBondContact O-N 3.49Å
288	K	97.2	Very high	96.1	Very high	61 Å²	61	65.6 Å²	65.6	27%	0.265	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-34.4	175.7	-68.2	176.7	173.5	-179.9	0	112.7	F220 R284 Q285 K290 E291 L292 I354 L355	F220-K288 HydrophobicContact CE1-CB 4.41Å; F220-K288 HydrophobicContact CE1-CD 4.25Å; R284-K288 PolarHBondContact O-N 3.21Å; Q285-K288 PolarHBondContact O-N 3.24Å; K288-K290 VanDerWaalsContact C-N 3.26Å; K288-K290 PolarHBondContact O-N 3.03Å; K288-E291 PolarHBondContact O-N 3.4Å; K288-L292 WeakPolarHBondContact O-CG 3.38Å; K288-L292 PolarHBondContact O-N 3.46Å; K288-I354 HydrophobicContact CB-CG2 4.09Å; K288-I354 WeakPolarHBondContact CD-O 3.3Å; K288-I354 WeakPolarHBondContact CE-O 3.47Å; K288-I354 HydrophobicContact CG-CG2 4.41Å; K288-L355 PolarHBondContact NZ-O 2.94Å
289	L	97.3	Very high	96.3	Very high	4 Å²	4	63 Å²	63	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-30.6	176.1	-66.5	175.3	0	0	0	112.6	F220 I250 I251 Q285 Q286 A287 L292 Q293 L303	F220-L289 HydrophobicContact CE2-CD2 3.94Å; F220-L289 HydrophobicContact CE2-CG 4.27Å; F220-L289 HydrophobicContact CZ-CD2 3.87Å; F220-L289 HydrophobicContact CZ-CG 4.07Å; I250-L289 HydrophobicContact CG2-CD1 4.45Å; I250-L289 WeakPolarHBondContact O-CD1 3.36Å; I251-L289 HydrophobicContact CB-CD2 4.2Å; I251-L289 HydrophobicContact CG1-CD2 4.24Å; I251-L289 HydrophobicContact CG2-CD2 3.93Å; Q285-L289 WeakPolarHBondContact O-CG 3.35Å; Q285-L289 PolarHBondContact O-N 3.19Å; Q286-L289 WeakPolarHBondContact O-CB 3.27Å; Q286-L289 PolarHBondContact O-N 2.9Å; A287-L289 VanDerWaalsContact C-N 3.26Å; A287-L289 PolarHBondContact O-N 3.46Å; L289-L292 HydrophobicContact CD2-CD1 4.12Å; L289-L292 PolarHBondContact O-N 2.91Å; L289-Q293 WeakPolarHBondContact O-CB 3.32Å; L289-Q293 PolarHBondContact O-N 3.2Å; L289-L303 HydrophobicContact CB-CD2 4.05Å; L289-L303 HydrophobicContact CD2-CD2 4.02Å
290	K	95.7	Very high	96.4	Very high	124 Å²	124	64 Å²	64	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-38.5	174.3	-64.2	-176.7	-179	-173.8	0	111.7	D256 Q286 A287 K288 Q293	D256-K290 WeakPolarHBondContact OD1-CE 3.36Å; D256-K290 IonicContact OD1-NZ 2.61Å; D256-K290 PolarHBondContact OD1-NZ 3.37Å; D256-K290 IonicContact OD2-NZ 2.68Å; D256-K290 PolarHBondContact OD2-NZ 2.89Å; Q286-K290 PolarHBondContact O-N 3.33Å; A287-K290 WeakPolarHBondContact O-CB 3.48Å; A287-K290 PolarHBondContact O-N 3.49Å; K288-K290 VanDerWaalsContact C-N 3.26Å; K288-K290 PolarHBondContact O-N 3.03Å; K290-Q293 WeakPolarHBondContact O-CB 3.33Å; K290-Q293 PolarHBondContact O-N 2.86Å
291	E	97.5	Very high	96.6	Very high	104 Å²	104	58.6 Å²	58.6	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-41.4	174.9	-62.5	175.9	-102.9	0	0	111.4	K288 Q293 A294 I354	K288-E291 PolarHBondContact O-N 3.4Å; E291-Q293 VanDerWaalsContact C-N 3.29Å; E291-Q293 PolarHBondContact O-N 3.31Å; E291-A294 WeakPolarHBondContact O-CB 3.19Å; E291-A294 PolarHBondContact O-N 3.18Å; E291-I354 HydrophobicContact CB-CD1 3.95Å; E291-I354 HydrophobicContact CB-CG1 4.16Å; E291-I354 HydrophobicContact CB-CG2 3.76Å
292	L	98.3	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-30.1	176.1	-67.7	167.3	0	0	0	113	M219 K288 L289 A294 I295 A296 L303 V351 I354 L355	M219-L292 HydrophobicContact SD-CD1 3.75Å; K288-L292 WeakPolarHBondContact O-CG 3.38Å; K288-L292 PolarHBondContact O-N 3.46Å; L289-L292 HydrophobicContact CD2-CD1 4.12Å; L289-L292 PolarHBondContact O-N 2.91Å; L292-A294 VanDerWaalsContact C-N 3.28Å; L292-A294 PolarHBondContact O-N 3.44Å; L292-I295 HydrophobicContact CD2-CD1 4.34Å; L292-I295 WeakPolarHBondContact O-CB 3.15Å; L292-I295 PolarHBondContact O-N 3.19Å; L292-I295 VanDerWaalsContact O-N 3.14Å; L292-A296 PolarHBondContact O-N 3.46Å; L292-L303 HydrophobicContact CB-CD1 3.7Å; L292-V351 HydrophobicContact CD2-CB 4.28Å; L292-V351 HydrophobicContact CD2-CG1 3.98Å; L292-V351 HydrophobicContact CD2-CG2 3.96Å; L292-I354 HydrophobicContact CD2-CB 4.34Å; L292-I354 HydrophobicContact CD2-CD1 4.03Å; L292-I354 HydrophobicContact CD2-CG2 4.18Å; L292-I354 HydrophobicContact CG-CG2 3.98Å; L292-L355 HydrophobicContact CD1-CD2 3.92Å
293	Q	98.1	Very high	97	Very high	65 Å²	65	56.9 Å²	56.9	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-39.2	175.3	178.8	59.7	42	0	0	111.3	L289 K290 E291 I295 A296 E297	L289-Q293 WeakPolarHBondContact O-CB 3.32Å; L289-Q293 PolarHBondContact O-N 3.2Å; K290-Q293 WeakPolarHBondContact O-CB 3.33Å; K290-Q293 PolarHBondContact O-N 2.86Å; E291-Q293 VanDerWaalsContact C-N 3.29Å; E291-Q293 PolarHBondContact O-N 3.31Å; Q293-I295 VanDerWaalsContact C-N 3.28Å; Q293-I295 PolarHBondContact O-N 3.3Å; Q293-A296 WeakPolarHBondContact O-CB 3.46Å; Q293-A296 PolarHBondContact O-N 2.96Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.45Å; Q293-E297 PolarHBondContact NE2-OE1 3.31Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.34Å
294	A	97.9	Very high	97.3	Very high	48 Å²	48	49.8 Å²	49.8	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-34.1	175.8	0	0	0	0	0	112.6	E291 L292 R298	E291-A294 WeakPolarHBondContact O-CB 3.19Å; E291-A294 PolarHBondContact O-N 3.18Å; L292-A294 VanDerWaalsContact C-N 3.28Å; L292-A294 PolarHBondContact O-N 3.44Å; A294-R298 WeakPolarHBondContact O-CB 3.45Å; A294-R298 PolarHBondContact O-N 3.2Å; A294-R298 VanDerWaalsContact O-N 3.15Å
295	I	98.3	Very high	97.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-46.5	172.4	-58	-175.6	0	0	0	110.2	L292 Q293 E297 R298 L299 L306 I347 E350 V351 I354	L292-I295 HydrophobicContact CD2-CD1 4.34Å; L292-I295 WeakPolarHBondContact O-CB 3.15Å; L292-I295 PolarHBondContact O-N 3.19Å; L292-I295 VanDerWaalsContact O-N 3.14Å; Q293-I295 VanDerWaalsContact C-N 3.28Å; Q293-I295 PolarHBondContact O-N 3.3Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.97Å; I295-R298 PolarHBondContact O-N 3.38Å; I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 HydrophobicContact CG2-CG 4.37Å; I295-L299 WeakPolarHBondContact O-CG 3.2Å; I295-L299 PolarHBondContact O-N 3.32Å; I295-L306 HydrophobicContact CB-CD2 4.15Å; I295-L306 HydrophobicContact CG2-CD2 4.02Å; I295-I347 HydrophobicContact CG2-CD1 4.27Å; I295-I347 HydrophobicContact CG2-CG2 4.04Å; I295-E350 HydrophobicContact CD1-CB 4.17Å; I295-E350 HydrophobicContact CD1-CG 3.77Å; I295-V351 HydrophobicContact CD1-CG2 3.82Å; I295-I354 HydrophobicContact CD1-CD1 3.57Å; I295-I354 HydrophobicContact CG1-CD1 4.3Å
296	A	98.3	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-43.8	-179.6	0	0	0	0	0	111.7	L292 Q293 L299 G300 C301 L306	L292-A296 PolarHBondContact O-N 3.46Å; Q293-A296 WeakPolarHBondContact O-CB 3.46Å; Q293-A296 PolarHBondContact O-N 2.96Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; A296-L299 CarbonylContact O-C 3.35Å; A296-L299 PolarHBondContact O-N 2.8Å; A296-G300 PolarHBondContact O-N 3.2Å; A296-G300 VanDerWaalsContact O-N 3.08Å; A296-C301 CarbonylContact C-O 3.47Å; A296-C301 WeakPolarHBondContact CB-O 3.24Å; A296-C301 PolarHBondContact O-N 3.34Å; A296-C301 VanDerWaalsContact O-O 3.07Å; A296-C301 PolarHBondContact O-SG 3.37Å; A296-L306 HydrophobicContact CB-CB 4.28Å; A296-L306 HydrophobicContact CB-CD2 3.95Å
297	E	98	Very high	97.9	Very high	126 Å²	126	43.9 Å²	43.9	59%	0.589	24%	0.237	S	C	*	.	H	α-helix	trans	-60.1	-47.4	175.2	-75.1	167.4	-166.6	0	0	112.2	Q293 I295 L299 G300	Q293-E297 WeakPolarHBondContact CG-OE1 3.45Å; Q293-E297 PolarHBondContact NE2-OE1 3.31Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.34Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.97Å; E297-L299 PolarHBondContact O-N 3.01Å; E297-G300 PolarHBondContact O-N 3.18Å
298	R	97.9	Very high	98	Very high	140 Å²	140	41.4 Å²	41.4	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-30.9	177.1	-175	168.1	61.3	-118.1	3	112.7	A294 I295 G300 E350	A294-R298 WeakPolarHBondContact O-CB 3.45Å; A294-R298 PolarHBondContact O-N 3.2Å; A294-R298 VanDerWaalsContact O-N 3.15Å; I295-R298 PolarHBondContact O-N 3.38Å; R298-G300 VanDerWaalsContact C-N 3.32Å; R298-E350 IonicContact CZ-OE1 2.67Å; R298-E350 IonicContact CZ-OE2 3.44Å; R298-E350 IonicContact NH1-OE1 2.8Å; R298-E350 IonicContact NH2-OE1 3.49Å; R298-E350 PolarHBondContact NH2-OE1 3.2Å; R298-E350 IonicContact NH2-OE2 3.13Å; R298-E350 PolarHBondContact NH2-OE2 3.19Å
299	L	97.8	Very high	98.1	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.131	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.9	176	-62.8	179.5	0	0	0	113.4	I295 A296 E297 L306 K342 L343 I347	I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 HydrophobicContact CG2-CG 4.37Å; I295-L299 WeakPolarHBondContact O-CG 3.2Å; I295-L299 PolarHBondContact O-N 3.32Å; A296-L299 CarbonylContact O-C 3.35Å; A296-L299 PolarHBondContact O-N 2.8Å; E297-L299 PolarHBondContact O-N 3.01Å; L299-L306 HydrophobicContact CD1-CD1 4.04Å; L299-K342 HydrophobicContact CB-CD 4.49Å; L299-K342 HydrophobicContact CD2-CB 4.18Å; L299-K342 WeakPolarHBondContact O-CD 3.39Å; L299-K342 PolarHBondContact O-NZ 3.42Å; L299-L343 HydrophobicContact CD1-CD2 4.27Å; L299-I347 HydrophobicContact CD1-CG2 4.06Å; L299-I347 HydrophobicContact CD2-CD1 4.12Å; L299-I347 HydrophobicContact CD2-CG1 4.3Å
300	G	98.1	Very high	98.2	Very high	62 Å²	62	38.3 Å²	38.3	64%	0.639	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	46.8	-176.2	0	0	0	0	0	112	A296 E297 R298	A296-G300 PolarHBondContact O-N 3.2Å; A296-G300 VanDerWaalsContact O-N 3.08Å; E297-G300 PolarHBondContact O-N 3.18Å; R298-G300 VanDerWaalsContact C-N 3.32Å
301	C	98.5	Very high	98.3	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.101	18%	0.177	C	C	.	.	S	Bend	trans	-142.5	168.2	178.4	67.5	0	0	0	0	111.3	A296 Q305 V339	A296-C301 CarbonylContact C-O 3.47Å; A296-C301 WeakPolarHBondContact CB-O 3.24Å; A296-C301 PolarHBondContact O-N 3.34Å; A296-C301 VanDerWaalsContact O-O 3.07Å; A296-C301 PolarHBondContact O-SG 3.37Å; C301-Q305 HydrophobicContact CB-CB 4.18Å; C301-V339 HydrophobicContact CB-CG1 4.49Å; C301-V339 HydrophobicContact CB-CG2 3.44Å; C301-V339 VanDerWaalsContact CB-CG2 3.44Å
302	T	98.6	Very high	98.3	Very high	48 Å²	48	27.6 Å²	27.6	29%	0.294	16%	0.155	S	C	.	.			trans	-82.8	158.7	173.8	73.4	0	0	0	0	111.3	P304 Q305 L306 E332	T302-P304 WeakPolarHBondContact OG1-CD 3.44Å; T302-Q305 WeakPolarHBondContact O-CB 3.24Å; T302-Q305 PolarHBondContact O-N 2.87Å; T302-Q305 VanDerWaalsContact O-N 3.12Å; T302-Q305 VanDerWaalsContact OG1-CG 3.29Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.47Å; T302-Q305 PolarHBondContact OG1-N 2.85Å; T302-L306 PolarHBondContact O-N 2.72Å; T302-E332 WeakPolarHBondContact CB-OE1 3.35Å; T302-E332 HydrophobicContact CG2-CG 4.01Å; T302-E332 WeakPolarHBondContact OG1-CG 3.42Å; T302-E332 PolarHBondContact OG1-OE1 3.39Å
303	L	98.3	Very high	98.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-39.6	175.8	-176.3	59.9	0	0	0	113.2	I251 L289 L292 Q305 L306 A307	I251-L303 HydrophobicContact CG2-CG 4.5Å; I251-L303 WeakPolarHBondContact O-CD2 3.36Å; I251-L303 VanDerWaalsContact O-CG 3.24Å; I251-L303 WeakPolarHBondContact O-CG 3.35Å; L289-L303 HydrophobicContact CB-CD2 4.05Å; L289-L303 HydrophobicContact CD2-CD2 4.02Å; L292-L303 HydrophobicContact CB-CD1 3.7Å; L303-Q305 PolarHBondContact O-N 3.49Å; L303-L306 HydrophobicContact CD1-CD2 4.31Å; L303-L306 PolarHBondContact O-N 3.48Å; L303-A307 WeakPolarHBondContact O-CB 3.5Å; L303-A307 PolarHBondContact O-N 3.24Å
304	P	98.6	Very high	97.7	Very high	10 Å²	10	29 Å²	29	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-56.3	-43.9	168.8	-30.8	38.7	0	0	0	114.1	L246 T302 A307 I308 E332	L246-P304 HydrophobicContact CD1-CB 3.97Å; L246-P304 HydrophobicContact CD2-CB 4.02Å; T302-P304 WeakPolarHBondContact OG1-CD 3.44Å; P304-A307 PolarHBondContact O-N 3.29Å; P304-I308 WeakPolarHBondContact O-CG1 3.46Å; P304-I308 PolarHBondContact O-N 3.42Å; P304-E332 WeakPolarHBondContact CB-OE1 3.35Å; P304-E332 WeakPolarHBondContact CD-OE1 3.45Å; P304-E332 WeakPolarHBondContact CG-OE1 3.4Å
305	Q	98.8	Very high	97	Very high	32 Å²	32	32.2 Å²	32.2	15%	0.15	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-45.7	177.4	-73.2	173.4	-17.5	0	0	111.8	C301 T302 L303 A307 I308 A309 E332 A336 V339	C301-Q305 HydrophobicContact CB-CB 4.18Å; T302-Q305 WeakPolarHBondContact O-CB 3.24Å; T302-Q305 PolarHBondContact O-N 2.87Å; T302-Q305 VanDerWaalsContact O-N 3.12Å; T302-Q305 VanDerWaalsContact OG1-CG 3.29Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.47Å; T302-Q305 PolarHBondContact OG1-N 2.85Å; L303-Q305 PolarHBondContact O-N 3.49Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.14Å; Q305-I308 PolarHBondContact O-N 3.11Å; Q305-A309 WeakPolarHBondContact O-CB 3.45Å; Q305-A309 PolarHBondContact O-N 3.02Å; Q305-E332 HydrophobicContact CG-CG 4.23Å; Q305-E332 WeakPolarHBondContact CG-O 3.42Å; Q305-E332 PolarHBondContact NE2-O 2.7Å; Q305-A336 HydrophobicContact CB-CB 4.39Å; Q305-A336 WeakPolarHBondContact O-CB 2.85Å; Q305-V339 HydrophobicContact CB-CG2 3.91Å
306	L	98.8	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-46.5	174.6	175.9	58	0	0	0	111.2	M219 I295 A296 L299 T302 L303 A309 W310 L343	M219-L306 HydrophobicContact CE-CG 4.26Å; I295-L306 HydrophobicContact CB-CD2 4.15Å; I295-L306 HydrophobicContact CG2-CD2 4.02Å; A296-L306 HydrophobicContact CB-CB 4.28Å; A296-L306 HydrophobicContact CB-CD2 3.95Å; L299-L306 HydrophobicContact CD1-CD1 4.04Å; T302-L306 PolarHBondContact O-N 2.72Å; L303-L306 HydrophobicContact CD1-CD2 4.31Å; L303-L306 PolarHBondContact O-N 3.48Å; L306-A309 PolarHBondContact O-N 2.95Å; L306-W310 WeakPolarHBondContact O-CB 3.24Å; L306-W310 PolarHBondContact O-N 2.81Å; L306-L343 HydrophobicContact CD1-CD2 3.67Å
307	A	98.7	Very high	96.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-44.5	-178.2	0	0	0	0	0	113.3	M219 L246 I251 L303 P304 Q305 W310 C311	M219-A307 HydrophobicContact CE-CB 4.35Å; M219-A307 HydrophobicContact SD-CB 4.31Å; L246-A307 HydrophobicContact CD2-CB 3.79Å; I251-A307 HydrophobicContact CG2-CB 3.41Å; I251-A307 VanDerWaalsContact CG2-CB 3.41Å; L303-A307 WeakPolarHBondContact O-CB 3.5Å; L303-A307 PolarHBondContact O-N 3.24Å; P304-A307 PolarHBondContact O-N 3.29Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.14Å; A307-W310 WeakPolarHBondContact O-CB 3.15Å; A307-W310 PolarHBondContact O-N 3.1Å; A307-C311 PolarHBondContact O-N 3.24Å; A307-C311 PolarHBondContact O-SG 3.36Å
308	I	98.8	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-43.7	178.6	-67.8	160.8	0	0	0	110.6	L52 P245 L246 P304 Q305 W310 C311 L312 L322 N333 A336	L52-I308 HydrophobicContact CD2-CG2 3.68Å; P245-I308 HydrophobicContact CB-CG1 4.12Å; P245-I308 HydrophobicContact CG-CG1 4.28Å; L246-I308 HydrophobicContact CD1-CD1 4.41Å; L246-I308 HydrophobicContact CD2-CD1 4.22Å; L246-I308 HydrophobicContact CD2-CG1 4Å; L246-I308 HydrophobicContact CG-CD1 4.4Å; L246-I308 HydrophobicContact CG-CG1 4.42Å; P304-I308 WeakPolarHBondContact O-CG1 3.46Å; P304-I308 PolarHBondContact O-N 3.42Å; Q305-I308 PolarHBondContact O-N 3.11Å; I308-W310 VanDerWaalsContact C-N 3.26Å; I308-W310 PolarHBondContact O-N 2.99Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 3.15Å; I308-C311 VanDerWaalsContact O-N 3.15Å; I308-L312 PolarHBondContact O-N 3.39Å; I308-L322 HydrophobicContact CD1-CD2 3.69Å; I308-L322 HydrophobicContact CG1-CD2 4.11Å; I308-L322 HydrophobicContact CG2-CD2 4.15Å; I308-N333 HydrophobicContact CD1-CB 3.57Å; I308-N333 WeakPolarHBondContact CD1-OD1 3.49Å; I308-A336 HydrophobicContact CB-CB 3.64Å; I308-A336 HydrophobicContact CG2-CB 3.55Å
309	A	98.4	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-40.3	174.8	0	0	0	0	0	111	Q305 L306 C311 L312 R313 A336 V339 L340 L343	Q305-A309 WeakPolarHBondContact O-CB 3.45Å; Q305-A309 PolarHBondContact O-N 3.02Å; L306-A309 PolarHBondContact O-N 2.95Å; A309-C311 VanDerWaalsContact C-N 3.33Å; A309-C311 PolarHBondContact O-N 3.23Å; A309-L312 CarbonylContact O-C 3.51Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.12Å; A309-R313 PolarHBondContact O-N 3.46Å; A309-A336 HydrophobicContact CB-CB 4.33Å; A309-A336 WeakPolarHBondContact CB-O 3.41Å; A309-V339 HydrophobicContact CB-CB 3.77Å; A309-V339 HydrophobicContact CB-CG1 3.95Å; A309-L340 HydrophobicContact CB-CD2 4.29Å; A309-L340 HydrophobicContact CB-CG 4.05Å; A309-L340 WeakPolarHBondContact O-CD2 3.39Å; A309-L343 HydrophobicContact CB-CD1 3.9Å; A309-L343 WeakPolarHBondContact O-CD1 3.08Å
310	W	98.4	Very high	96.7	Very high	1 Å²	1	20 Å²	20	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-42.1	175.2	179.7	95.7	0	0	0	111.2	Y217 M219 R222 E226 L306 A307 I308 L312 R313 L355	Y217-W310 HydrophobicContact CE1-CZ3 4.17Å; Y217-W310 AromaticContact CE2-CH2 3.93Å; Y217-W310 HydrophobicContact CE2-CH2 3.93Å; Y217-W310 AromaticContact CE2-CZ3 3.79Å; Y217-W310 HydrophobicContact CE2-CZ3 3.79Å; Y217-W310 AromaticContact CZ-CH2 3.92Å; Y217-W310 AromaticContact CZ-CZ3 3.58Å; M219-W310 HydrophobicContact CE-CB 3.8Å; M219-W310 HydrophobicContact CE-CD2 4.21Å; M219-W310 HydrophobicContact CE-CG 3.76Å; M219-W310 HydrophobicContact CG-CD2 3.9Å; M219-W310 HydrophobicContact CG-CE3 3.86Å; M219-W310 HydrophobicContact CG-CG 4.44Å; M219-W310 HydrophobicContact CG-CZ3 4.24Å; R222-W310 HydrophobicContact CG-CH2 3.88Å; E226-W310 WeakPolarHBondContact OE1-CH2 3.29Å; L306-W310 WeakPolarHBondContact O-CB 3.24Å; L306-W310 PolarHBondContact O-N 2.81Å; A307-W310 WeakPolarHBondContact O-CB 3.15Å; A307-W310 PolarHBondContact O-N 3.1Å; I308-W310 VanDerWaalsContact C-N 3.26Å; I308-W310 PolarHBondContact O-N 2.99Å; W310-L312 VanDerWaalsContact C-N 3.31Å; W310-L312 PolarHBondContact O-N 3.12Å; W310-R313 VanDerWaalsContact CE3-NH1 3.29Å; W310-R313 VanDerWaalsContact NE1-CZ 3.33Å; W310-R313 WeakPolarHBondContact O-CB 3.47Å; W310-R313 VanDerWaalsContact O-CD 3.26Å; W310-R313 WeakPolarHBondContact O-CD 3.41Å; W310-R313 WeakPolarHBondContact O-CG 3.21Å; W310-R313 PolarHBondContact O-N 3.21Å; W310-R313 PolarHBondContact O-NH1 3.05Å; W310-L355 HydrophobicContact CZ2-CD1 4.34Å
311	C	98.4	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.1	-42.6	173.5	-69.6	0	0	0	0	111.7	Y217 A307 I308 A309 R313 V320	Y217-C311 HydrophobicContact CD1-CB 3.91Å; Y217-C311 HydrophobicContact CE1-CB 3.96Å; Y217-C311 WeakPolarHBondContact CE1-O 3.46Å; A307-C311 PolarHBondContact O-N 3.24Å; A307-C311 PolarHBondContact O-SG 3.36Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 3.15Å; I308-C311 VanDerWaalsContact O-N 3.15Å; A309-C311 VanDerWaalsContact C-N 3.33Å; A309-C311 PolarHBondContact O-N 3.23Å; C311-R313 VanDerWaalsContact C-N 3.29Å; C311-R313 PolarHBondContact O-N 2.87Å; C311-V320 HydrophobicContact CB-CG2 3.86Å
312	L	97.4	Very high	96.7	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-75.2	-10.4	-179.5	-77.5	177.4	0	0	0	115.5	C51 L52 I308 A309 W310 N314 V320 L340	C51-L312 HydrophobicContact CB-CD1 4.34Å; C51-L312 HydrophobicContact CB-CD2 3.94Å; C51-L312 WeakPolarHBondContact O-CD2 3.16Å; L52-L312 HydrophobicContact CD2-CD1 3.68Å; L52-L312 HydrophobicContact CG-CD1 4.24Å; I308-L312 PolarHBondContact O-N 3.39Å; A309-L312 CarbonylContact O-C 3.51Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.12Å; W310-L312 VanDerWaalsContact C-N 3.31Å; W310-L312 PolarHBondContact O-N 3.12Å; L312-N314 PolarHBondContact O-N 2.99Å; L312-V320 HydrophobicContact CD2-CB 4.49Å; L312-V320 HydrophobicContact CD2-CG2 3.67Å; L312-V320 HydrophobicContact CG-CG2 3.77Å; L312-L340 HydrophobicContact CB-CD1 3.83Å; L312-L340 HydrophobicContact CB-CD2 3.79Å; L312-L340 HydrophobicContact CB-CG 4.27Å; L312-L340 HydrophobicContact CD1-CD1 4Å
313	R	94.6	Very high	96.7	Very high	54 Å²	54	16.1 Å²	16.1	20%	0.204	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	175.5	90.9	-166.6	-179.7	-72	0.8	111.8	Y217 E226 A309 W310 C311 E315 L343	Y217-R313 PolarHBondContact OH-NH1 3.18Å; E226-R313 IonicContact OE1-CZ 3.24Å; E226-R313 IonicContact OE1-NH2 3.92Å; E226-R313 PolarHBondContact OE1-NH2 3.03Å; E226-R313 IonicContact OE2-NH2 3.67Å; A309-R313 PolarHBondContact O-N 3.46Å; W310-R313 VanDerWaalsContact CE3-NH1 3.29Å; W310-R313 VanDerWaalsContact NE1-CZ 3.33Å; W310-R313 WeakPolarHBondContact O-CB 3.47Å; W310-R313 VanDerWaalsContact O-CD 3.26Å; W310-R313 WeakPolarHBondContact O-CD 3.41Å; W310-R313 WeakPolarHBondContact O-CG 3.21Å; W310-R313 PolarHBondContact O-N 3.21Å; W310-R313 PolarHBondContact O-NH1 3.05Å; C311-R313 VanDerWaalsContact C-N 3.29Å; C311-R313 PolarHBondContact O-N 2.87Å; R313-E315 PolarHBondContact O-N 3.12Å; R313-L343 HydrophobicContact CB-CD1 4.21Å
314	N	88.5	Confident	96.6	Very high	39 Å²	39	16.1 Å²	16.1	21%	0.209	9%	0.093	C	C	.	.	S	Bend	trans	-82.9	111.7	177.5	-172.7	-11.7	0	0	0	109.3	L312 G316 V317	L312-N314 PolarHBondContact O-N 2.99Å; N314-G316 PolarHBondContact O-N 3.38Å; N314-G316 PolarHBondContact OD1-N 3.1Å; N314-V317 HydrophobicContact CB-CG2 4.12Å; N314-V317 WeakPolarHBondContact O-CB 2.99Å; N314-V317 PolarHBondContact O-N 3.07Å
315	E	83.8	Confident	96.6	Very high	117 Å²	117	17.1 Å²	17.1	55%	0.547	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	177.8	-71.3	176.7	-172.7	0	0	113.1	R34 R313 V317	R34-E315 VanDerWaalsContact CD-OE1 3.31Å; R34-E315 WeakPolarHBondContact CD-OE1 3.45Å; R34-E315 IonicContact CZ-OE1 2.71Å; R34-E315 IonicContact NE-OE1 2.62Å; R34-E315 VanDerWaalsContact NH1-CD 3.28Å; R34-E315 IonicContact NH1-OE1 2.78Å; R34-E315 PolarHBondContact NH1-OE1 3.22Å; R34-E315 IonicContact NH1-OE2 3.54Å; R313-E315 PolarHBondContact O-N 3.12Å; E315-V317 PolarHBondContact O-N 3.2Å
316	G	89.9	Confident	96.5	Very high	27 Å²	27	18 Å²	18	28%	0.278	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.8	171.5	0	0	0	0	0	114	N314	N314-G316 PolarHBondContact O-N 3.38Å; N314-G316 PolarHBondContact OD1-N 3.1Å
317	V	97.2	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.7	171.7	178.3	0	0	0	0	109.1	R40 Y217 V225 T242 N314 E315 V320	R40-V317 PolarHBondContact NH1-O 3.45Å; Y217-V317 HydrophobicContact CD1-CG2 4.11Å; Y217-V317 HydrophobicContact CE1-CG2 4Å; V225-V317 HydrophobicContact CG1-CG2 3.8Å; T242-V317 HydrophobicContact CG2-CG1 3.94Å; T242-V317 HydrophobicContact CG2-CG2 4.05Å; N314-V317 HydrophobicContact CB-CG2 4.12Å; N314-V317 WeakPolarHBondContact O-CB 2.99Å; N314-V317 PolarHBondContact O-N 3.07Å; E315-V317 PolarHBondContact O-N 3.2Å; V317-V320 HydrophobicContact CG1-CG2 3.88Å
318	S	98.3	Very high	96.5	Very high	8 Å²	8	25.7 Å²	25.7	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-42.8	177.5	-70.5	0	0	0	0	111.5	N41 G43 A240	N41-S318 PolarHBondContact O-OG 2.98Å; G43-S318 PolarHBondContact N-OG 2.86Å; A240-S318 WeakPolarHBondContact O-CB 3.26Å; A240-S318 PolarHBondContact O-N 3.11Å
319	S	98.8	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	150.3	178.4	-166.7	0	0	0	0	112.5	S50 C51 G53 L83 M241 T242	S50-S319 VanDerWaalsContact O-CB 3.28Å; S50-S319 WeakPolarHBondContact O-CB 3.31Å; S50-S319 PolarHBondContact O-OG 3.3Å; C51-S319 CarbonylContact O-C 3.56Å; C51-S319 VanDerWaalsContact O-CA 3.28Å; C51-S319 WeakPolarHBondContact O-CA 3.43Å; C51-S319 PolarHBondContact O-OG 3.48Å; G53-S319 PolarHBondContact N-OG 3.09Å; L83-S319 WeakPolarHBondContact CD2-OG 3.36Å; M241-S319 CarbonylContact C-O 3.54Å; M241-S319 WeakPolarHBondContact CA-O 3.25Å; T242-S319 PolarHBondContact N-O 3.26Å
320	V	98.9	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.6	173.4	177.8	0	0	0	0	109.4	C51 L52 G53 T242 P245 C311 L312 V317 L322	C51-V320 PolarHBondContact O-N 3.45Å; L52-V320 WeakPolarHBondContact CA-O 3.28Å; L52-V320 HydrophobicContact CD2-CB 4.16Å; G53-V320 PolarHBondContact N-O 3.34Å; T242-V320 WeakPolarHBondContact OG1-CG2 3.41Å; P245-V320 HydrophobicContact CB-CG1 3.5Å; P245-V320 HydrophobicContact CG-CG1 3.6Å; C311-V320 HydrophobicContact CB-CG2 3.86Å; L312-V320 HydrophobicContact CD2-CB 4.49Å; L312-V320 HydrophobicContact CD2-CG2 3.67Å; L312-V320 HydrophobicContact CG-CG2 3.77Å; V317-V320 HydrophobicContact CG1-CG2 3.88Å; V320-L322 PolarHBondContact O-N 3.5Å
321	L	98.9	Very high	96.5	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.6	175.7	-64.8	176.9	0	0	0	110.8	L83 D85 Q214 M241 T242 W243 P245	L83-L321 HydrophobicContact CD2-CD2 3.82Å; L83-L321 HydrophobicContact CG-CD2 4.12Å; D85-L321 HydrophobicContact CB-CD1 3.83Å; D85-L321 HydrophobicContact CB-CD2 3.76Å; D85-L321 HydrophobicContact CB-CG 4.44Å; Q214-L321 HydrophobicContact CG-CD1 4.14Å; M241-L321 HydrophobicContact CG-CD1 4.03Å; M241-L321 HydrophobicContact CG-CD2 4.31Å; M241-L321 HydrophobicContact CG-CG 3.92Å; M241-L321 HydrophobicContact SD-CD1 3.91Å; M241-L321 HydrophobicContact SD-CD2 4.09Å; M241-L321 HydrophobicContact SD-CG 4.14Å; T242-L321 WeakPolarHBondContact O-CB 3.12Å; T242-L321 PolarHBondContact O-N 2.95Å; W243-L321 HydrophobicContact CB-CD1 4.46Å; P245-L321 WeakPolarHBondContact CD-O 3.47Å
322	L	98.8	Very high	96.5	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	153.8	174.3	-57.5	-177.1	0	0	0	111	L52 G53 G55 P245 I308 V320 L330 N333	L52-L322 HydrophobicContact CB-CD1 4.27Å; L52-L322 HydrophobicContact CD1-CD1 4.21Å; L52-L322 HydrophobicContact CD2-CD1 4.43Å; L52-L322 HydrophobicContact CD2-CD2 4.13Å; L52-L322 HydrophobicContact CD2-CG 4.34Å; G53-L322 WeakPolarHBondContact O-CB 3.33Å; G53-L322 PolarHBondContact O-N 2.76Å; G55-L322 PolarHBondContact N-O 2.7Å; P245-L322 HydrophobicContact CG-CD2 4.28Å; I308-L322 HydrophobicContact CD1-CD2 3.69Å; I308-L322 HydrophobicContact CG1-CD2 4.11Å; I308-L322 HydrophobicContact CG2-CD2 4.15Å; V320-L322 PolarHBondContact O-N 3.5Å; L322-L330 HydrophobicContact CD1-CD1 4.09Å; L322-N333 HydrophobicContact CD1-CB 3.95Å; L322-N333 HydrophobicContact CD2-CB 4.28Å
323	G	98	Very high	96.5	Very high	33 Å²	33	35 Å²	35	34%	0.34	19%	0.193	S	C	.	.			trans	-130.6	133.9	163.2	0	0	0	0	0	109
324	A	97.7	Very high	96.7	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	19%	0.185	C	C	.	.			trans	-141.4	138.7	-178.8	0	0	0	0	0	110	T59 L72 Q329 L330	T59-A324 WeakPolarHBondContact CG2-O 3.4Å; L72-A324 WeakPolarHBondContact CD1-O 3.48Å; L72-A324 HydrophobicContact CD2-CB 4.06Å; A324-Q329 HydrophobicContact CB-CB 4.1Å; A324-L330 HydrophobicContact CB-CB 3.87Å
325	S	96.8	Very high	97.2	Very high	32 Å²	32	31.1 Å²	31.1	22%	0.224	18%	0.178	C	C	.	.	S	Bend	trans	-100	-4.7	176	66.7	0	0	0	0	113.3	I64 Q329	I64-S325 WeakPolarHBondContact CG2-O 3.46Å; S325-Q329 PolarHBondContact OG-NE2 3.22Å; S325-Q329 PolarHBondContact OG-OE1 3.47Å
326	N	98.1	Very high	97.8	Very high	49 Å²	49	25.5 Å²	25.5	26%	0.262	15%	0.152	S	C	.	.	S	Bend	trans	-157.3	166.2	174.9	62.9	40.6	0	0	0	110.7	M68 L72 D328 Q329 L330	M68-N326 HydrophobicContact SD-CB 4.44Å; L72-N326 VanDerWaalsContact CD2-O 3.32Å; L72-N326 WeakPolarHBondContact CD2-O 3.36Å; N326-D328 VanDerWaalsContact C-N 3.34Å; N326-D328 PolarHBondContact O-N 2.98Å; N326-D328 PolarHBondContact OD1-N 3.41Å; N326-Q329 PolarHBondContact O-N 3.26Å; N326-Q329 WeakPolarHBondContact OD1-CB 3.47Å; N326-Q329 VanDerWaalsContact OD1-CG 3.26Å; N326-Q329 WeakPolarHBondContact OD1-CG 3.45Å; N326-Q329 PolarHBondContact OD1-N 3.4Å; N326-L330 PolarHBondContact O-N 3.38Å
327	T	98.3	Very high	98.1	Very high	43 Å²	43	24.5 Å²	24.5	26%	0.264	14%	0.14	S	C	.	.	H	α-helix	trans	-63.4	-35.4	-176.8	49.1	0	0	0	0	113.4	M68 Q71 L72 L75 L330 M331	M68-T327 HydrophobicContact SD-CG2 4.22Å; Q71-T327 HydrophobicContact CB-CG2 4.01Å; L72-T327 HydrophobicContact CD2-CG2 4.48Å; L75-T327 HydrophobicContact CD2-CG2 4.44Å; T327-L330 PolarHBondContact O-N 3.06Å; T327-M331 PolarHBondContact O-N 3.31Å
328	D	98.2	Very high	98.1	Very high	121 Å²	121	28.8 Å²	28.8	65%	0.647	16%	0.16	S	C	*	.	H	α-helix	trans	-63.1	-46	-179.4	-59.2	-31.3	0	0	0	111.1	N326 L330 M331 E332	N326-D328 VanDerWaalsContact C-N 3.34Å; N326-D328 PolarHBondContact O-N 2.98Å; N326-D328 PolarHBondContact OD1-N 3.41Å; D328-L330 VanDerWaalsContact C-N 3.3Å; D328-L330 PolarHBondContact O-N 2.98Å; D328-M331 PolarHBondContact O-N 2.89Å; D328-E332 VanDerWaalsContact O-CB 3.27Å; D328-E332 WeakPolarHBondContact O-CB 3.11Å; D328-E332 PolarHBondContact O-N 3.31Å
329	Q	98.3	Very high	98	Very high	46 Å²	46	28.5 Å²	28.5	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-42	174.3	-73.5	172.4	14	0	0	111.6	A324 S325 N326 N333	A324-Q329 HydrophobicContact CB-CB 4.1Å; S325-Q329 PolarHBondContact OG-NE2 3.22Å; S325-Q329 PolarHBondContact OG-OE1 3.47Å; N326-Q329 PolarHBondContact O-N 3.26Å; N326-Q329 WeakPolarHBondContact OD1-CB 3.47Å; N326-Q329 VanDerWaalsContact OD1-CG 3.26Å; N326-Q329 WeakPolarHBondContact OD1-CG 3.45Å; N326-Q329 PolarHBondContact OD1-N 3.4Å; Q329-N333 WeakPolarHBondContact O-CB 3.14Å; Q329-N333 PolarHBondContact O-N 3.25Å; Q329-N333 PolarHBondContact O-ND2 3.27Å
330	L	98.6	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-45.8	-179.9	-179.3	59.7	0	0	0	111.3	L54 L72 L75 A76 L322 A324 N326 T327 D328 N333 I334	L54-L330 HydrophobicContact CD1-CD1 4.27Å; L72-L330 HydrophobicContact CB-CD2 4.16Å; L72-L330 HydrophobicContact CD2-CB 3.75Å; L72-L330 HydrophobicContact CD2-CD2 3.73Å; L72-L330 HydrophobicContact CD2-CG 4.38Å; L72-L330 WeakPolarHBondContact O-CD2 3.36Å; L75-L330 HydrophobicContact CB-CD2 4.12Å; L75-L330 HydrophobicContact CD2-CB 4.36Å; L75-L330 HydrophobicContact CD2-CD2 3.97Å; L75-L330 HydrophobicContact CD2-CG 4.25Å; L75-L330 HydrophobicContact CG-CD2 4.3Å; A76-L330 HydrophobicContact CB-CD2 4.27Å; L322-L330 HydrophobicContact CD1-CD1 4.09Å; A324-L330 HydrophobicContact CB-CB 3.87Å; N326-L330 PolarHBondContact O-N 3.38Å; T327-L330 PolarHBondContact O-N 3.06Å; D328-L330 VanDerWaalsContact C-N 3.3Å; D328-L330 PolarHBondContact O-N 2.98Å; L330-N333 PolarHBondContact O-N 3.01Å; L330-I334 HydrophobicContact CD1-CD1 4.06Å; L330-I334 HydrophobicContact CD1-CG1 4.25Å; L330-I334 HydrophobicContact CG-CD1 3.92Å; L330-I334 VanDerWaalsContact O-CG1 3.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.3Å; L330-I334 PolarHBondContact O-N 3.2Å
331	M	98.4	Very high	97.6	Very high	83 Å²	83	34.3 Å²	34.3	41%	0.409	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-43.1	177.1	-75.6	-53	-67.1	0	0	112.4	L75 T327 D328 N333 I334 G335	L75-M331 HydrophobicContact CD1-CG 4.32Å; L75-M331 HydrophobicContact CD1-SD 3.51Å; L75-M331 VanDerWaalsContact CD1-SD 3.51Å; L75-M331 HydrophobicContact CD2-CG 3.42Å; L75-M331 VanDerWaalsContact CD2-CG 3.42Å; L75-M331 HydrophobicContact CD2-SD 3.45Å; L75-M331 WeakPolarHBondContact CD2-SD 3.49Å; L75-M331 HydrophobicContact CG-CG 4.24Å; L75-M331 HydrophobicContact CG-SD 3.57Å; L75-M331 VanDerWaalsContact CG-SD 3.57Å; T327-M331 PolarHBondContact O-N 3.31Å; D328-M331 PolarHBondContact O-N 2.89Å; M331-N333 VanDerWaalsContact C-N 3.32Å; M331-N333 PolarHBondContact O-N 3.37Å; M331-I334 PolarHBondContact O-N 3.24Å; M331-I334 HydrophobicContact SD-CD1 4.43Å; M331-G335 PolarHBondContact O-N 3.41Å; M331-G335 VanDerWaalsContact O-N 3.08Å
332	E	98.4	Very high	97.4	Very high	63 Å²	63	38.4 Å²	38.4	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-55.4	-50.4	173.2	-173.9	-169.7	149.3	0	0	110.2	T302 P304 Q305 D328 I334 G335	T302-E332 WeakPolarHBondContact CB-OE1 3.35Å; T302-E332 HydrophobicContact CG2-CG 4.01Å; T302-E332 WeakPolarHBondContact OG1-CG 3.42Å; T302-E332 PolarHBondContact OG1-OE1 3.39Å; P304-E332 WeakPolarHBondContact CB-OE1 3.35Å; P304-E332 WeakPolarHBondContact CD-OE1 3.45Å; P304-E332 WeakPolarHBondContact CG-OE1 3.4Å; Q305-E332 HydrophobicContact CG-CG 4.23Å; Q305-E332 WeakPolarHBondContact CG-O 3.42Å; Q305-E332 PolarHBondContact NE2-O 2.7Å; D328-E332 VanDerWaalsContact O-CB 3.27Å; D328-E332 WeakPolarHBondContact O-CB 3.11Å; D328-E332 PolarHBondContact O-N 3.31Å; E332-I334 PolarHBondContact O-N 3.38Å; E332-G335 WeakPolarHBondContact O-CA 3.39Å; E332-G335 PolarHBondContact O-N 3.15Å
333	N	98.6	Very high	97.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-39.5	-178.2	-71.6	-20.2	0	0	0	113.2	I308 L322 Q329 L330 M331 G335 A336	I308-N333 HydrophobicContact CD1-CB 3.57Å; I308-N333 WeakPolarHBondContact CD1-OD1 3.49Å; L322-N333 HydrophobicContact CD1-CB 3.95Å; L322-N333 HydrophobicContact CD2-CB 4.28Å; Q329-N333 WeakPolarHBondContact O-CB 3.14Å; Q329-N333 PolarHBondContact O-N 3.25Å; Q329-N333 PolarHBondContact O-ND2 3.27Å; L330-N333 PolarHBondContact O-N 3.01Å; M331-N333 VanDerWaalsContact C-N 3.32Å; M331-N333 PolarHBondContact O-N 3.37Å; N333-G335 PolarHBondContact O-N 3.22Å; N333-A336 WeakPolarHBondContact O-CB 3.47Å; N333-A336 PolarHBondContact O-N 3.01Å; N333-A336 VanDerWaalsContact O-N 3.14Å
334	I	98.4	Very high	97.1	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-33.1	173.1	-71.1	168.3	0	0	0	110.2	N79 I81 L330 M331 E332 A336 I337	N79-I334 HydrophobicContact CB-CD1 4.12Å; N79-I334 HydrophobicContact CB-CG2 4.48Å; I81-I334 HydrophobicContact CD1-CD1 4.19Å; I81-I334 HydrophobicContact CD1-CG1 4.16Å; L330-I334 HydrophobicContact CD1-CD1 4.06Å; L330-I334 HydrophobicContact CD1-CG1 4.25Å; L330-I334 HydrophobicContact CG-CD1 3.92Å; L330-I334 VanDerWaalsContact O-CG1 3.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.3Å; L330-I334 PolarHBondContact O-N 3.2Å; M331-I334 PolarHBondContact O-N 3.24Å; M331-I334 HydrophobicContact SD-CD1 4.43Å; E332-I334 PolarHBondContact O-N 3.38Å; I334-A336 PolarHBondContact O-N 3.33Å; I334-I337 HydrophobicContact CG2-CD1 4.43Å; I334-I337 WeakPolarHBondContact O-CG1 3.37Å; I334-I337 PolarHBondContact O-N 3.49Å
335	G	97.8	Very high	96.9	Very high	7 Å²	7	45.8 Å²	45.8	7%	0.072	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-57.8	-17.9	175.7	0	0	0	0	0	115.2	M331 E332 N333 I337 Q338	M331-G335 PolarHBondContact O-N 3.41Å; M331-G335 VanDerWaalsContact O-N 3.08Å; E332-G335 WeakPolarHBondContact O-CA 3.39Å; E332-G335 PolarHBondContact O-N 3.15Å; N333-G335 PolarHBondContact O-N 3.22Å; G335-I337 PolarHBondContact O-N 3.12Å; G335-I337 VanDerWaalsContact O-N 3.1Å; G335-Q338 PolarHBondContact O-N 3.46Å; G335-Q338 PolarHBondContact O-OE1 3.41Å
336	A	98.1	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.5	175.3	0	0	0	0	0	113.2	Q305 I308 A309 N333 I334 Q338 V339 L340	Q305-A336 HydrophobicContact CB-CB 4.39Å; Q305-A336 WeakPolarHBondContact O-CB 2.85Å; I308-A336 HydrophobicContact CB-CB 3.64Å; I308-A336 HydrophobicContact CG2-CB 3.55Å; A309-A336 HydrophobicContact CB-CB 4.33Å; A309-A336 WeakPolarHBondContact CB-O 3.41Å; N333-A336 WeakPolarHBondContact O-CB 3.47Å; N333-A336 PolarHBondContact O-N 3.01Å; N333-A336 VanDerWaalsContact O-N 3.14Å; I334-A336 PolarHBondContact O-N 3.33Å; A336-Q338 PolarHBondContact O-N 3.21Å; A336-V339 WeakPolarHBondContact O-CB 3.47Å; A336-V339 PolarHBondContact O-N 3.44Å; A336-L340 PolarHBondContact O-N 2.67Å
337	I	96.2	Very high	96.9	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.8	176.4	-70.9	167.2	0	0	0	111.4	Y25 L36 F38 L52 I334 G335 V339	Y25-I337 HydrophobicContact CD1-CG2 4.34Å; Y25-I337 HydrophobicContact CD2-CG2 4.24Å; Y25-I337 HydrophobicContact CE1-CG2 4.44Å; Y25-I337 HydrophobicContact CE2-CG2 4.36Å; Y25-I337 HydrophobicContact CG-CG2 4.23Å; L36-I337 HydrophobicContact CD2-CB 4.46Å; L36-I337 HydrophobicContact CD2-CG2 3.64Å; F38-I337 HydrophobicContact CD2-CD1 3.75Å; F38-I337 HydrophobicContact CE2-CD1 3.4Å; F38-I337 VanDerWaalsContact CE2-CD1 3.4Å; L52-I337 HydrophobicContact CD1-CD1 3.7Å; L52-I337 HydrophobicContact CD1-CG1 3.89Å; L52-I337 HydrophobicContact CG-CD1 4.47Å; I334-I337 HydrophobicContact CG2-CD1 4.43Å; I334-I337 WeakPolarHBondContact O-CG1 3.37Å; I334-I337 PolarHBondContact O-N 3.49Å; G335-I337 PolarHBondContact O-N 3.12Å; G335-I337 VanDerWaalsContact O-N 3.1Å; I337-V339 VanDerWaalsContact C-N 3.28Å; I337-V339 PolarHBondContact O-N 3.26Å
338	Q	95.9	Very high	96.7	Very high	90 Å²	90	46 Å²	46	42%	0.421	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-79.5	-12	179	-62.5	86.3	53	0	0	113.1	Y25 G335 A336	Y25-Q338 VanDerWaalsContact CE1-NE2 3.32Å; G335-Q338 PolarHBondContact O-N 3.46Å; G335-Q338 PolarHBondContact O-OE1 3.41Å; A336-Q338 PolarHBondContact O-N 3.21Å
339	V	97.4	Very high	96.6	Very high	3 Å²	3	46 Å²	46	2%	0.018	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-29.4	176.2	-176.2	0	0	0	0	111.6	C301 Q305 A309 A336 I337 K342 L343	C301-V339 HydrophobicContact CB-CG1 4.49Å; C301-V339 HydrophobicContact CB-CG2 3.44Å; C301-V339 VanDerWaalsContact CB-CG2 3.44Å; Q305-V339 HydrophobicContact CB-CG2 3.91Å; A309-V339 HydrophobicContact CB-CB 3.77Å; A309-V339 HydrophobicContact CB-CG1 3.95Å; A336-V339 WeakPolarHBondContact O-CB 3.47Å; A336-V339 PolarHBondContact O-N 3.44Å; I337-V339 VanDerWaalsContact C-N 3.28Å; I337-V339 PolarHBondContact O-N 3.26Å; V339-K342 WeakPolarHBondContact O-CA 3.43Å; V339-K342 VanDerWaalsContact O-CB 3.28Å; V339-K342 WeakPolarHBondContact O-CB 3.44Å; V339-K342 PolarHBondContact O-N 3.46Å; V339-L343 HydrophobicContact CG1-CD2 4.34Å; V339-L343 PolarHBondContact O-N 3.29Å
340	L	94.3	Very high	96.6	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-48.8	-47.6	-178.9	-86	168.3	0	0	0	114.6	L36 A309 L312 A336 K342 L343	L36-L340 HydrophobicContact CD1-CD1 3.75Å; L36-L340 HydrophobicContact CD2-CB 4.41Å; L36-L340 HydrophobicContact CD2-CD1 3.57Å; L36-L340 HydrophobicContact CG-CD1 4.29Å; A309-L340 HydrophobicContact CB-CD2 4.29Å; A309-L340 HydrophobicContact CB-CG 4.05Å; A309-L340 WeakPolarHBondContact O-CD2 3.39Å; L312-L340 HydrophobicContact CB-CD1 3.83Å; L312-L340 HydrophobicContact CB-CD2 3.79Å; L312-L340 HydrophobicContact CB-CG 4.27Å; L312-L340 HydrophobicContact CD1-CD1 4Å; A336-L340 PolarHBondContact O-N 2.67Å; L340-K342 PolarHBondContact O-N 3.21Å; L340-K342 VanDerWaalsContact O-N 3.16Å; L340-L343 HydrophobicContact CD2-CD1 4.37Å; L340-L343 PolarHBondContact O-N 3.29Å; L340-L343 VanDerWaalsContact O-N 3.16Å
341	P	94.4	Very high	96.6	Very high	97 Å²	97	46.9 Å²	46.9	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19.1	178.1	-22.4	34.9	0	0	0	114.4
342	K	95.8	Very high	96.5	Very high	94 Å²	94	43.6 Å²	43.6	41%	0.409	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-86.3	-12.5	179.7	-51.6	179.1	178.3	177.1	0	112.7	L299 V339 L340 S344	L299-K342 HydrophobicContact CB-CD 4.49Å; L299-K342 HydrophobicContact CD2-CB 4.18Å; L299-K342 WeakPolarHBondContact O-CD 3.39Å; L299-K342 PolarHBondContact O-NZ 3.42Å; V339-K342 WeakPolarHBondContact O-CA 3.43Å; V339-K342 VanDerWaalsContact O-CB 3.28Å; V339-K342 WeakPolarHBondContact O-CB 3.44Å; V339-K342 PolarHBondContact O-N 3.46Å; L340-K342 PolarHBondContact O-N 3.21Å; L340-K342 VanDerWaalsContact O-N 3.16Å; K342-S344 VanDerWaalsContact C-N 3.31Å; K342-S344 PolarHBondContact O-N 2.93Å
343	L	95.2	Very high	96.5	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.136	26%	0.256	C	S	.	.			trans	-77.5	77.3	179.3	-62.9	-173.7	0	0	0	111.6	L299 L306 A309 R313 V339 L340 I347	L299-L343 HydrophobicContact CD1-CD2 4.27Å; L306-L343 HydrophobicContact CD1-CD2 3.67Å; A309-L343 HydrophobicContact CB-CD1 3.9Å; A309-L343 WeakPolarHBondContact O-CD1 3.08Å; R313-L343 HydrophobicContact CB-CD1 4.21Å; V339-L343 HydrophobicContact CG1-CD2 4.34Å; V339-L343 PolarHBondContact O-N 3.29Å; L340-L343 HydrophobicContact CD2-CD1 4.37Å; L340-L343 PolarHBondContact O-N 3.29Å; L340-L343 VanDerWaalsContact O-N 3.16Å; L343-I347 HydrophobicContact CD2-CG2 3.91Å
344	S	94.6	Very high	96.5	Very high	57 Å²	57	45.1 Å²	45.1	40%	0.399	26%	0.261	S	S	.	.			trans	-68.4	166	172.7	75.2	0	0	0	0	111.9	K342 S346 I347 T348	K342-S344 VanDerWaalsContact C-N 3.31Å; K342-S344 PolarHBondContact O-N 2.93Å; S344-S346 PolarHBondContact O-N 3.39Å; S344-S346 PolarHBondContact OG-N 2.67Å; S344-I347 PolarHBondContact O-N 3.38Å; S344-I347 PolarHBondContact OG-N 3.2Å; S344-T348 PolarHBondContact O-N 2.99Å; S344-T348 PolarHBondContact O-OG1 3.25Å
345	S	94.1	Very high	96.5	Very high	110 Å²	110	44.9 Å²	44.9	77%	0.769	26%	0.259	S	S	*	.	H	α-helix	trans	-57.9	-36.3	173	-54.9	0	0	0	0	112.2	T348 H349	S345-T348 PolarHBondContact O-N 3.25Å; S345-H349 WeakPolarHBondContact O-CB 3.25Å; S345-H349 PolarHBondContact O-N 3Å
346	S	96.2	Very high	96.4	Very high	86 Å²	86	47.6 Å²	47.6	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-62.8	-48.9	175.7	-178.3	0	0	0	0	111.6	S344 T348 H349 E350	S344-S346 PolarHBondContact O-N 3.39Å; S344-S346 PolarHBondContact OG-N 2.67Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 3.21Å; S346-H349 PolarHBondContact O-N 2.94Å; S346-E350 WeakPolarHBondContact O-CB 3.4Å; S346-E350 PolarHBondContact O-N 3.18Å
347	I	96.9	Very high	96.4	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-42.5	177.9	-66.3	-64.1	0	0	0	110.4	I295 L299 L343 S344 H349 E350 V351	I295-I347 HydrophobicContact CG2-CD1 4.27Å; I295-I347 HydrophobicContact CG2-CG2 4.04Å; L299-I347 HydrophobicContact CD1-CG2 4.06Å; L299-I347 HydrophobicContact CD2-CD1 4.12Å; L299-I347 HydrophobicContact CD2-CG1 4.3Å; L343-I347 HydrophobicContact CD2-CG2 3.91Å; S344-I347 PolarHBondContact O-N 3.38Å; S344-I347 PolarHBondContact OG-N 3.2Å; I347-H349 VanDerWaalsContact C-N 3.31Å; I347-H349 PolarHBondContact O-N 3.49Å; I347-E350 PolarHBondContact O-N 3.09Å; I347-V351 WeakPolarHBondContact O-CG2 3.25Å; I347-V351 PolarHBondContact O-N 3.06Å
348	T	94.9	Very high	96.4	Very high	29 Å²	29	55.6 Å²	55.6	18%	0.178	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-39.7	178.9	-54.1	0	0	0	0	111.5	S344 S345 S346 V351 D352	S344-T348 PolarHBondContact O-N 2.99Å; S344-T348 PolarHBondContact O-OG1 3.25Å; S345-T348 PolarHBondContact O-N 3.25Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 3.21Å; T348-V351 PolarHBondContact O-N 2.99Å; T348-D352 PolarHBondContact O-N 3.43Å
349	H	96.6	Very high	96.2	Very high	121 Å²	121	52.3 Å²	52.3	56%	0.56	31%	0.311	S	S	*	.	H	α-helix	trans	-68.5	-38.5	176.8	-174.6	69.8	0	0	0	112.8	S345 S346 I347 D352 S353	S345-H349 WeakPolarHBondContact O-CB 3.25Å; S345-H349 PolarHBondContact O-N 3Å; S346-H349 PolarHBondContact O-N 2.94Å; I347-H349 VanDerWaalsContact C-N 3.31Å; I347-H349 PolarHBondContact O-N 3.49Å; H349-D352 PolarHBondContact O-N 3.35Å; H349-S353 WeakPolarHBondContact O-CB 3.5Å; H349-S353 PolarHBondContact O-N 3.04Å; H349-S353 PolarHBondContact O-OG 2.67Å
350	E	97.9	Very high	95.8	Very high	63 Å²	63	61.7 Å²	61.7	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.7	-166.2	-176.6	165.7	0	0	111.1	I295 R298 S346 I347 D352 S353 I354	I295-E350 HydrophobicContact CD1-CB 4.17Å; I295-E350 HydrophobicContact CD1-CG 3.77Å; R298-E350 IonicContact CZ-OE1 2.67Å; R298-E350 IonicContact CZ-OE2 3.44Å; R298-E350 IonicContact NH1-OE1 2.8Å; R298-E350 IonicContact NH2-OE1 3.49Å; R298-E350 PolarHBondContact NH2-OE1 3.2Å; R298-E350 IonicContact NH2-OE2 3.13Å; R298-E350 PolarHBondContact NH2-OE2 3.19Å; S346-E350 WeakPolarHBondContact O-CB 3.4Å; S346-E350 PolarHBondContact O-N 3.18Å; I347-E350 PolarHBondContact O-N 3.09Å; E350-D352 PolarHBondContact O-N 3.07Å; E350-S353 WeakPolarHBondContact O-CB 3.4Å; E350-S353 PolarHBondContact O-N 3.11Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å; E350-I354 PolarHBondContact O-N 2.73Å
351	V	97.9	Very high	94.8	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-45	172.4	171.9	0	0	0	0	111.1	M219 L292 I295 I347 T348 S353 I354 L355	M219-V351 HydrophobicContact CE-CG1 4.03Å; L292-V351 HydrophobicContact CD2-CB 4.28Å; L292-V351 HydrophobicContact CD2-CG1 3.98Å; L292-V351 HydrophobicContact CD2-CG2 3.96Å; I295-V351 HydrophobicContact CD1-CG2 3.82Å; I347-V351 WeakPolarHBondContact O-CG2 3.25Å; I347-V351 PolarHBondContact O-N 3.06Å; T348-V351 PolarHBondContact O-N 2.99Å; V351-S353 VanDerWaalsContact C-N 3.27Å; V351-S353 PolarHBondContact O-N 2.9Å; V351-I354 PolarHBondContact O-N 2.69Å; V351-L355 HydrophobicContact CG1-CD1 3.61Å; V351-L355 HydrophobicContact CG1-CG 4.18Å; V351-L355 WeakPolarHBondContact O-CB 3.08Å; V351-L355 WeakPolarHBondContact O-CG 3.41Å; V351-L355 PolarHBondContact O-N 3.4Å
352	D	97.3	Very high	93	Very high	15 Å²	15	66.7 Å²	66.7	8%	0.08	36%	0.364	C	S	.	.	H	α-helix	trans	-59.2	-38.9	175.8	-82.9	-27.6	0	0	0	112.1	R222 T348 H349 E350 G356 K358	R222-D352 IonicContact CZ-OD1 3.19Å; R222-D352 VanDerWaalsContact CZ-OD1 3.22Å; R222-D352 IonicContact NH1-OD1 3.98Å; R222-D352 PolarHBondContact NH1-OD1 2.97Å; R222-D352 IonicContact NH2-OD1 2.83Å; R222-D352 PolarHBondContact NH2-OD1 3.27Å; T348-D352 PolarHBondContact O-N 3.43Å; H349-D352 PolarHBondContact O-N 3.35Å; E350-D352 PolarHBondContact O-N 3.07Å; D352-G356 PolarHBondContact O-N 3.23Å; D352-K358 HydrophobicContact CB-CD 4.45Å; D352-K358 WeakPolarHBondContact OD2-CD 3.22Å; D352-K358 IonicContact OD2-NZ 2.72Å
353	S	97.9	Very high	91.1	Very high	75 Å²	75	70.5 Å²	70.5	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-46.9	179.8	-58.5	0	0	0	0	111.7	H349 E350 V351 L355 G356	H349-S353 WeakPolarHBondContact O-CB 3.5Å; H349-S353 PolarHBondContact O-N 3.04Å; H349-S353 PolarHBondContact O-OG 2.67Å; E350-S353 WeakPolarHBondContact O-CB 3.4Å; E350-S353 PolarHBondContact O-N 3.11Å; V351-S353 VanDerWaalsContact C-N 3.27Å; V351-S353 PolarHBondContact O-N 2.9Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 PolarHBondContact O-N 3.19Å; S353-G356 PolarHBondContact O-N 3.21Å
354	I	98.2	Very high	89.1	Confident	25 Å²	25	73 Å²	73	13%	0.128	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-44.5	176	-66.7	165	0	0	0	110.7	K288 E291 L292 I295 E350 V351 G356	K288-I354 HydrophobicContact CB-CG2 4.09Å; K288-I354 WeakPolarHBondContact CD-O 3.3Å; K288-I354 WeakPolarHBondContact CE-O 3.47Å; K288-I354 HydrophobicContact CG-CG2 4.41Å; E291-I354 HydrophobicContact CB-CD1 3.95Å; E291-I354 HydrophobicContact CB-CG1 4.16Å; E291-I354 HydrophobicContact CB-CG2 3.76Å; L292-I354 HydrophobicContact CD2-CB 4.34Å; L292-I354 HydrophobicContact CD2-CD1 4.03Å; L292-I354 HydrophobicContact CD2-CG2 4.18Å; L292-I354 HydrophobicContact CG-CG2 3.98Å; I295-I354 HydrophobicContact CD1-CD1 3.57Å; I295-I354 HydrophobicContact CG1-CD1 4.3Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å; E350-I354 PolarHBondContact O-N 2.73Å; V351-I354 PolarHBondContact O-N 2.69Å; I354-G356 VanDerWaalsContact C-N 3.34Å; I354-G356 PolarHBondContact O-N 3.34Å
355	L	97.9	Very high	86.9	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-70	-33.1	-178	-67.7	175.5	0	0	0	112.2	M219 F220 K288 L292 W310 V351 S353 N357	M219-L355 HydrophobicContact CB-CD1 3.7Å; M219-L355 HydrophobicContact CB-CD2 3.87Å; M219-L355 HydrophobicContact CB-CG 4.45Å; M219-L355 HydrophobicContact CG-CD1 3.91Å; F220-L355 HydrophobicContact CD1-CD2 4.11Å; F220-L355 HydrophobicContact CE1-CD2 3.65Å; F220-L355 HydrophobicContact CZ-CD2 4.37Å; K288-L355 PolarHBondContact NZ-O 2.94Å; L292-L355 HydrophobicContact CD1-CD2 3.92Å; W310-L355 HydrophobicContact CZ2-CD1 4.34Å; V351-L355 HydrophobicContact CG1-CD1 3.61Å; V351-L355 HydrophobicContact CG1-CG 4.18Å; V351-L355 WeakPolarHBondContact O-CB 3.08Å; V351-L355 WeakPolarHBondContact O-CG 3.41Å; V351-L355 PolarHBondContact O-N 3.4Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 PolarHBondContact O-N 3.19Å; L355-N357 VanDerWaalsContact CB-OD1 3.24Å; L355-N357 WeakPolarHBondContact CB-OD1 3.44Å; L355-N357 PolarHBondContact O-N 3.43Å; L355-N357 VanDerWaalsContact O-N 3.11Å
356	G	97.3	Very high	84.6	Confident	64 Å²	64	85.9 Å²	85.9	66%	0.66	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	25.7	177	0	0	0	0	0	113.5	D352 S353 I354	D352-G356 PolarHBondContact O-N 3.23Å; S353-G356 PolarHBondContact O-N 3.21Å; I354-G356 VanDerWaalsContact C-N 3.34Å; I354-G356 PolarHBondContact O-N 3.34Å
357	N	96.9	Very high	82	Confident	53 Å²	53	88.8 Å²	88.8	28%	0.283	44%	0.439	S	S	.	.			trans	-137.1	21.8	-171.2	73.2	-6.1	0	0	0	112.8	M219 R222 L355 P359	M219-N357 PolarHBondContact O-ND2 3.38Å; R222-N357 WeakPolarHBondContact CD-OD1 3.37Å; R222-N357 PolarHBondContact NH1-OD1 2.91Å; L355-N357 VanDerWaalsContact CB-OD1 3.24Å; L355-N357 WeakPolarHBondContact CB-OD1 3.44Å; L355-N357 PolarHBondContact O-N 3.43Å; L355-N357 VanDerWaalsContact O-N 3.11Å; N357-P359 WeakPolarHBondContact O-CD 3.39Å; N357-P359 VanDerWaalsContact O-N 3.16Å
358	K	96.1	Very high	81.2	Confident	121 Å²	121	92.6 Å²	92.6	53%	0.526	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-57.8	120.2	175.7	-174.1	-179.6	-174.8	168.9	0	108.5	D352	D352-K358 HydrophobicContact CB-CD 4.45Å; D352-K358 WeakPolarHBondContact OD2-CD 3.22Å; D352-K358 IonicContact OD2-NZ 2.72Å
359	P	93.1	Very high	80.5	Confident	21 Å²	21	95.9 Å²	95.9	14%	0.136	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-72.3	144.3	-177.8	30.8	-33.9	0	0	0	109.9	R222 E223 E226 V227 N357	R222-P359 HydrophobicContact CB-CG 4.24Å; E223-P359 HydrophobicContact CB-CB 4.29Å; E223-P359 HydrophobicContact CG-CB 4.37Å; E226-P359 HydrophobicContact CB-CG 3.75Å; E226-P359 HydrophobicContact CG-CG 4.49Å; E226-P359 WeakPolarHBondContact OE2-CD 3.38Å; V227-P359 HydrophobicContact CG2-CB 3.65Å; V227-P359 HydrophobicContact CG2-CG 3.87Å; N357-P359 WeakPolarHBondContact O-CD 3.39Å; N357-P359 VanDerWaalsContact O-N 3.16Å
360	Y	87.5	Confident	79.6	Confident	199 Å²	199	94.5 Å²	94.5	78%	0.78	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-70.6	130.5	178.6	-65.7	-81.8	0	0	0	110.8
361	S	72.9	Confident	78.5	Confident	44 Å²	44	96.4 Å²	96.4	31%	0.308	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-95.8	147.1	172.4	-175.1	0	0	0	0	110.4	K363 D364	S361-K363 PolarHBondContact O-N 2.91Å; S361-K363 PolarHBondContact OG-N 3.36Å; S361-D364 WeakPolarHBondContact CB-OD2 3.37Å; S361-D364 PolarHBondContact N-OD2 2.84Å; S361-D364 WeakPolarHBondContact O-CB 3.49Å; S361-D364 PolarHBondContact O-N 2.96Å
362	K	58.2	Low	77.3	Confident	183 Å²	183	102.3 Å²	102.3	80%	0.796	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-56.6	-21.3	170.9	-79.5	-174.2	177.9	179.6	0	113.3	D364 Y365	K362-D364 PolarHBondContact O-N 3Å; K362-Y365 PolarHBondContact O-N 2.74Å
363	K	55.9	Low	76	Confident	173 Å²	173	108.1 Å²	108.1	75%	0.752	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-67.6	-23.6	174.5	-70.2	-177.1	179.3	177.2	0	113	S361 Y365 R366	S361-K363 PolarHBondContact O-N 2.91Å; S361-K363 PolarHBondContact OG-N 3.36Å; K363-Y365 VanDerWaalsContact C-N 3.26Å; K363-Y365 PolarHBondContact O-N 3.49Å; K363-R366 PolarHBondContact O-N 2.8Å
364	D	53.6	Low	74.4	Confident	79 Å²	79	110.5 Å²	110.5	42%	0.422	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-77.7	-9.1	-178.1	-53.3	-33.7	0	0	0	112.7	S361 K362 R366 S367	S361-D364 WeakPolarHBondContact CB-OD2 3.37Å; S361-D364 PolarHBondContact N-OD2 2.84Å; S361-D364 WeakPolarHBondContact O-CB 3.49Å; S361-D364 PolarHBondContact O-N 2.96Å; K362-D364 PolarHBondContact O-N 3Å; D364-R366 VanDerWaalsContact C-N 3.32Å; D364-S367 PolarHBondContact O-OG 3.22Å
365	Y	47.9	Very low	72.6	Confident	194 Å²	194	117.1 Å²	117.1	76%	0.761	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-80.2	-9.8	174.9	-76.3	-89.5	0	0	0	113.9	K362 K363	K362-Y365 PolarHBondContact O-N 2.74Å; K363-Y365 VanDerWaalsContact C-N 3.26Å; K363-Y365 PolarHBondContact O-N 3.49Å
366	R	45.6	Very low	70.5	Confident	243 Å²	243	126.8 Å²	126.8	92%	0.917	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-106.5	4.7	-177.3	-68.7	-173.3	177.8	-179.5	-1.3	113.5	K363 D364	K363-R366 PolarHBondContact O-N 2.8Å; D364-R366 VanDerWaalsContact C-N 3.32Å
367	S	40.7	Very low	68	Low	148 Å²	148	132.5 Å²	132.5	100%	1.035	61%	0.611	S	S	*	*			trans	-114.9	0	173.5	50.5	0	0	0	0	108.6	D364	D364-S367 PolarHBondContact O-OG 3.22Å

Retrieved 367 of 367 residues in 156.8 ms (Link to these results)

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