A0A3Q0KBK2_SCHMA Loading...

Pyruvate dehydrogenase E1 component subunit beta

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO2.

AlphaFold DB , UniProt , Accession A0A3Q0KBK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	49.6	Very low	39.4	Very low	253 Å²	253	162.6 Å²	162.6	100%	1.246	85%	0.845	S	S	*	*				0	102.6	0	-76.2	-180	-90.2	0	0	107.5
2	S	32.9	Very low	39.5	Very low	115 Å²	115	166.3 Å²	166.3	80%	0.804	85%	0.849	S	S	*	*			trans	-117.6	127.4	176.5	65.5	0	0	0	0	109
3	V	44.2	Very low	39.4	Very low	143 Å²	143	162.2 Å²	162.2	87%	0.867	85%	0.845	S	S	*	*			trans	-136.7	117.6	159.6	-179.4	0	0	0	0	107.1
4	S	34.6	Very low	39.7	Very low	100 Å²	100	165.5 Å²	165.5	70%	0.699	85%	0.85	S	S	*	*			trans	-98.1	134.5	170.8	159.9	0	0	0	0	107.7
5	Q	47.7	Very low	39.5	Very low	184 Å²	184	170.5 Å²	170.5	86%	0.86	85%	0.854	S	S	*	*			trans	-141.7	117.1	156.7	-84.5	-173.8	-20	0	0	109.8
6	R	34.6	Very low	39.6	Very low	229 Å²	229	166.8 Å²	166.8	86%	0.864	85%	0.846	S	S	*	*			trans	-85.3	144	165.6	-70.6	179.9	-179.9	-146.7	-1.4	108.7
7	L	42.6	Very low	39.7	Very low	176 Å²	176	168.4 Å²	168.4	92%	0.921	85%	0.849	S	S	*	*			trans	-122.3	146.3	157.1	-121	92	0	0	0	110.9
8	F	36.8	Very low	39.5	Very low	177 Å²	177	168.9 Å²	168.9	78%	0.776	85%	0.854	S	S	*	*			trans	-94.6	154.8	-162.9	-94.6	-86.4	0	0	0	114
9	L	35.2	Very low	39.5	Very low	130 Å²	130	166.3 Å²	166.3	68%	0.681	85%	0.851	S	S	*	*			trans	47.5	127.9	138.3	-69.7	154.4	0	0	0	120.2
10	F	39.9	Very low	39.5	Very low	195 Å²	195	163.9 Å²	163.9	86%	0.855	85%	0.85	S	S	*	*				-174.8	135.7	94.5	-112.9	-87.6	0	0	0	111.4
11	A	35.7	Very low	39.4	Very low	87 Å²	87	167.3 Å²	167.3	72%	0.719	85%	0.852	S	S	*	*			trans	-77.1	151.1	178.7	0	0	0	0	0	113
12	K	40	Very low	38.9	Very low	206 Å²	206	160 Å²	160	90%	0.896	83%	0.826	S	S	*	*			trans	-153.2	116.6	145.4	-102.1	177.1	-171.4	-179.4	0	109.9
13	S	38.3	Very low	39.1	Very low	114 Å²	114	162.7 Å²	162.7	80%	0.797	83%	0.83	S	S	*	*			trans	-72.6	136.3	170.6	53.7	0	0	0	0	111.6
14	F	44.2	Very low	38.8	Very low	208 Å²	208	164.8 Å²	164.8	91%	0.912	83%	0.828	S	S	*	*			trans	-140.5	121.9	160	-112.8	-92.1	0	0	0	109.5
15	R	36.8	Very low	38.8	Very low	240 Å²	240	166.5 Å²	166.5	91%	0.906	83%	0.834	S	S	*	*			trans	-144.3	162.7	160.4	-96.5	-168.8	179.5	-157.1	1	104.9
16	P	40.3	Very low	38.4	Very low	112 Å²	112	162.8 Å²	162.8	73%	0.727	83%	0.828	S	S	*	*			cis	-132.6	173.2	-31.1	35.4	-18.5	0	0	0	110.8
17	Q	41.1	Very low	38.5	Very low	194 Å²	194	157.4 Å²	157.4	91%	0.907	83%	0.825	S	S	*	*			trans	-150.1	113.2	155.4	-114	170.5	-0.6	0	0	110.1	C19	Q17-C19 PolarHBondContact O-N 3.35Å
18	L	37.2	Very low	38.5	Very low	178 Å²	178	154 Å²	154	93%	0.932	82%	0.817	S	S	*	*			trans	-60.2	120.7	167.5	-81.4	121.8	0	0	0	108.8
19	C	38.4	Very low	39.2	Very low	118 Å²	118	149.1 Å²	149.1	80%	0.797	81%	0.809	S	S	*	*			trans	-115.1	108.1	167.9	-153.5	0	0	0	0	107.8	Q17 R21	Q17-C19 PolarHBondContact O-N 3.35Å; C19-R21 PolarHBondContact O-N 2.88Å; C19-R21 VanDerWaalsContact O-N 3.15Å
20	S	39.5	Very low	40.1	Very low	118 Å²	118	152.9 Å²	152.9	83%	0.825	82%	0.82	S	S	*	*			trans	-64.2	107.7	171.9	56.9	0	0	0	0	109.2
21	R	38.1	Very low	41.3	Very low	236 Å²	236	144.8 Å²	144.8	89%	0.891	79%	0.791	S	S	*	*			trans	-91.1	117.1	164.8	-91	-177.1	166.7	-169	-3	108.9	C19 L23	C19-R21 PolarHBondContact O-N 2.88Å; C19-R21 VanDerWaalsContact O-N 3.15Å; R21-L23 PolarHBondContact O-N 2.87Å
22	S	39.9	Very low	43.8	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	78%	0.78	S	S	*	*			trans	-53.4	126	167.7	58.2	0	0	0	0	110.4	K24	S22-K24 PolarHBondContact O-N 3.17Å
23	L	37	Very low	46.4	Very low	172 Å²	172	141.3 Å²	141.3	90%	0.901	77%	0.767	S	S	*	*			trans	-61.9	105.9	163	-82.9	124.1	0	0	0	108.5	R21 T25	R21-L23 PolarHBondContact O-N 2.87Å; L23-T25 PolarHBondContact O-N 3.1Å
24	K	36	Very low	49.1	Very low	187 Å²	187	137.1 Å²	137.1	81%	0.813	74%	0.735	S	S	*	*			trans	-77.6	109.6	158.6	-76.5	-174.2	177	-177	0	106.5	S22 S26	S22-K24 PolarHBondContact O-N 3.17Å; K24-S26 VanDerWaalsContact C-N 3.31Å; K24-S26 PolarHBondContact O-N 3.19Å
25	T	35.2	Very low	51.7	Low	136 Å²	136	128.5 Å²	128.5	83%	0.834	70%	0.699	S	S	*	*			trans	-66	93.3	161	50.3	0	0	0	0	107.4	L23 S27	L23-T25 PolarHBondContact O-N 3.1Å; T25-S27 PolarHBondContact O-N 2.97Å
26	S	40.1	Very low	54.6	Low	106 Å²	106	117.2 Å²	117.2	74%	0.741	66%	0.657	S	S	*	*			trans	-71.9	113	163.5	55	0	0	0	0	107.1	K24 S28	K24-S26 VanDerWaalsContact C-N 3.31Å; K24-S26 PolarHBondContact O-N 3.19Å; S26-S28 PolarHBondContact O-N 3.17Å
27	S	35.9	Very low	57.4	Low	115 Å²	115	114.8 Å²	114.8	80%	0.804	63%	0.633	S	S	*	*			trans	-55.3	108.9	160.2	53.9	0	0	0	0	107.5	T25 A29	T25-S27 PolarHBondContact O-N 2.97Å; S27-A29 PolarHBondContact O-N 3.16Å; S27-A29 VanDerWaalsContact O-N 3.07Å
28	S	43.2	Very low	60.1	Low	106 Å²	106	109.4 Å²	109.4	74%	0.741	61%	0.61	S	S	*	*			trans	-60	114.7	170.4	56.3	0	0	0	0	107.5	S26 F30	S26-S28 PolarHBondContact O-N 3.17Å; S28-F30 PolarHBondContact O-N 3.09Å
29	A	51	Low	63.1	Low	73 Å²	73	100.9 Å²	100.9	60%	0.603	57%	0.566	S	S	*	*			trans	-53.1	132.8	166.6	0	0	0	0	0	108	S27 G31	S27-A29 PolarHBondContact O-N 3.16Å; S27-A29 VanDerWaalsContact O-N 3.07Å; A29-G31 PolarHBondContact O-N 3.24Å; A29-G31 VanDerWaalsContact O-N 3.08Å
30	F	53.3	Low	65.9	Low	210 Å²	210	95.3 Å²	95.3	92%	0.921	53%	0.528	S	S	*	.			trans	-52	115.4	-178.5	-86	-95.9	0	0	0	110	S28	S28-F30 PolarHBondContact O-N 3.09Å
31	G	66.7	Low	68.8	Low	24 Å²	24	91 Å²	91	25%	0.247	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-68.3	158.8	179.4	0	0	0	0	0	112.8	A29 V213	A29-G31 PolarHBondContact O-N 3.24Å; A29-G31 VanDerWaalsContact O-N 3.08Å; G31-V213 CarbonylContact C-O 3.56Å; G31-V213 WeakPolarHBondContact CA-O 3.48Å
32	T	88	Confident	71.6	Confident	78 Å²	78	80.4 Å²	80.4	48%	0.479	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.6	169.9	-60.5	0	0	0	0	108.5	V213	T32-V213 PolarHBondContact N-O 3.42Å; T32-V213 PolarHBondContact O-N 3.34Å
33	K	93.5	Very high	74.4	Confident	143 Å²	143	75.6 Å²	75.6	62%	0.622	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	124	174.2	-171.6	167.8	-176	169.8	0	109.8	F211	K33-F211 WeakPolarHBondContact CA-O 3.44Å
34	M	96.1	Very high	77.4	Confident	25 Å²	25	67.4 Å²	67.4	12%	0.123	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.9	177.6	77.8	-173.3	-45.6	0	0	111.5	D38 A39 C181 S210 F211 V213 L218	M34-D38 HydrophobicContact CE-CB 4.07Å; M34-A39 HydrophobicContact CE-CB 4.06Å; M34-A39 HydrophobicContact CG-CB 4.3Å; M34-A39 HydrophobicContact SD-CB 3.88Å; M34-C181 HydrophobicContact CG-CB 3.92Å; M34-C181 PolarHBondContact O-SG 3.5Å; M34-C181 HydrophobicContact SD-CB 4.31Å; M34-S210 CarbonylContact O-C 3.55Å; M34-S210 WeakPolarHBondContact O-CA 3.44Å; M34-F211 PolarHBondContact N-O 3.24Å; M34-F211 VanDerWaalsContact N-O 3.12Å; M34-F211 PolarHBondContact O-N 2.82Å; M34-V213 HydrophobicContact CG-CG2 3.6Å; M34-V213 HydrophobicContact SD-CB 4.23Å; M34-V213 HydrophobicContact SD-CG1 4.3Å; M34-V213 HydrophobicContact SD-CG2 3.67Å; M34-L218 HydrophobicContact SD-CD2 4.33Å
35	T	98.4	Very high	80.3	Confident	27 Å²	27	62.3 Å²	62.3	17%	0.166	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.3	173	71	0	0	0	0	111.4	R37 D38 A39 Q209	T35-R37 PolarHBondContact O-N 3.45Å; T35-D38 PolarHBondContact O-N 2.72Å; T35-D38 VanDerWaalsContact O-N 3.08Å; T35-D38 PolarHBondContact OG1-N 2.87Å; T35-D38 VanDerWaalsContact OG1-N 3.1Å; T35-D38 PolarHBondContact OG1-OD2 3.27Å; T35-A39 WeakPolarHBondContact O-CB 3.31Å; T35-A39 PolarHBondContact O-N 3.49Å; T35-Q209 CarbonylContact C-O 3.6Å; T35-Q209 VanDerWaalsContact CA-O 3.24Å; T35-Q209 WeakPolarHBondContact CA-O 3.28Å
36	V	98.5	Very high	83.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-38.6	173.8	169.9	0	0	0	0	111.2	D38 A39 L40 C181 C184 L206 Y207 Q209 F211	V36-D38 PolarHBondContact O-N 3.39Å; V36-A39 WeakPolarHBondContact O-CB 3.36Å; V36-A39 PolarHBondContact O-N 3.43Å; V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 WeakPolarHBondContact O-CG 3.28Å; V36-L40 PolarHBondContact O-N 3.49Å; V36-C181 PolarHBondContact N-SG 3.49Å; V36-C181 VanDerWaalsContact N-SG 3.38Å; V36-C184 HydrophobicContact CG1-CB 4.32Å; V36-C184 WeakPolarHBondContact CG1-SG 3.38Å; V36-L206 VanDerWaalsContact CB-O 3.29Å; V36-L206 WeakPolarHBondContact CB-O 3.48Å; V36-L206 HydrophobicContact CG1-CB 4.41Å; V36-L206 HydrophobicContact CG2-CB 4.38Å; V36-L206 WeakPolarHBondContact CG2-O 3.39Å; V36-Y207 HydrophobicContact CG1-CD1 4.3Å; V36-Q209 PolarHBondContact N-O 2.96Å; V36-F211 HydrophobicContact CG2-CD2 3.85Å; V36-F211 HydrophobicContact CG2-CE2 3.64Å
37	R	98.5	Very high	86.2	Confident	62 Å²	62	51.8 Å²	51.8	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-48.6	173.1	179.5	-172.5	-68.7	104.6	-0.1	112.1	T35 A39 L40 N41 Y68 K69 V70 Y207	T35-R37 PolarHBondContact O-N 3.45Å; R37-A39 VanDerWaalsContact C-N 3.27Å; R37-A39 PolarHBondContact O-N 3.41Å; R37-L40 PolarHBondContact O-N 3.43Å; R37-N41 WeakPolarHBondContact O-CB 3.39Å; R37-N41 PolarHBondContact O-N 2.8Å; R37-Y68 PolarHBondContact NE-O 2.82Å; R37-K69 WeakPolarHBondContact CD-O 3.36Å; R37-V70 HydrophobicContact CG-CG2 4.2Å; R37-Y207 VanDerWaalsContact CB-O 3.28Å; R37-Y207 WeakPolarHBondContact CB-O 3.44Å; R37-Y207 PolarHBondContact N-O 3.37Å; R37-Y207 VanDerWaalsContact N-O 3.08Å; R37-Y207 PolarHBondContact NH1-O 3.19Å
38	D	98.3	Very high	89.1	Confident	80 Å²	80	46.4 Å²	46.4	43%	0.428	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-32.7	179.1	-59.9	-39.2	0	0	0	111.2	M34 T35 V36 N41 S42	M34-D38 HydrophobicContact CE-CB 4.07Å; T35-D38 PolarHBondContact O-N 2.72Å; T35-D38 VanDerWaalsContact O-N 3.08Å; T35-D38 PolarHBondContact OG1-N 2.87Å; T35-D38 VanDerWaalsContact OG1-N 3.1Å; T35-D38 PolarHBondContact OG1-OD2 3.27Å; V36-D38 PolarHBondContact O-N 3.39Å; D38-N41 PolarHBondContact O-N 3.15Å; D38-S42 VanDerWaalsContact O-CB 3.27Å; D38-S42 WeakPolarHBondContact O-CB 3.35Å; D38-S42 PolarHBondContact O-N 3.35Å; D38-S42 PolarHBondContact O-OG 3.02Å
39	A	98.5	Very high	91.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-48.7	176.7	0	0	0	0	0	110.9	M34 T35 V36 R37 S42 A43 C181 C184 R185	M34-A39 HydrophobicContact CE-CB 4.06Å; M34-A39 HydrophobicContact CG-CB 4.3Å; M34-A39 HydrophobicContact SD-CB 3.88Å; T35-A39 WeakPolarHBondContact O-CB 3.31Å; T35-A39 PolarHBondContact O-N 3.49Å; V36-A39 WeakPolarHBondContact O-CB 3.36Å; V36-A39 PolarHBondContact O-N 3.43Å; R37-A39 VanDerWaalsContact C-N 3.27Å; R37-A39 PolarHBondContact O-N 3.41Å; A39-S42 PolarHBondContact O-OG 3.12Å; A39-A43 WeakPolarHBondContact O-CB 3.24Å; A39-A43 PolarHBondContact O-N 3.16Å; A39-C181 HydrophobicContact CB-CB 3.76Å; A39-C184 HydrophobicContact CB-CB 4.45Å; A39-R185 HydrophobicContact CB-CG 3.82Å; A39-R185 WeakPolarHBondContact O-CG 3.4Å
40	L	98.8	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-45	173.9	-68.3	161.2	0	0	0	112.3	V36 R37 S42 A43 M44 V70 C184 L188 E202 Y207	V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 WeakPolarHBondContact O-CG 3.28Å; V36-L40 PolarHBondContact O-N 3.49Å; R37-L40 PolarHBondContact O-N 3.43Å; L40-S42 PolarHBondContact O-N 3.29Å; L40-A43 PolarHBondContact O-N 3.24Å; L40-M44 PolarHBondContact O-N 2.76Å; L40-V70 HydrophobicContact CB-CG1 3.56Å; L40-V70 HydrophobicContact CD1-CG1 4.03Å; L40-V70 HydrophobicContact CG-CG1 4.43Å; L40-C184 HydrophobicContact CD2-CB 3.72Å; L40-C184 HydrophobicContact CG-CB 3.86Å; L40-L188 HydrophobicContact CD2-CD2 3.81Å; L40-E202 HydrophobicContact CD1-CG 4.26Å; L40-E202 WeakPolarHBondContact CD1-OE2 3.46Å; L40-E202 HydrophobicContact CD2-CG 4.25Å; L40-E202 WeakPolarHBondContact CD2-OE1 3.39Å; L40-Y207 HydrophobicContact CD1-CD1 3.93Å; L40-Y207 HydrophobicContact CD1-CE1 3.6Å
41	N	98.8	Very high	96.2	Very high	27 Å²	27	41 Å²	41	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-49.2	178.3	-176.6	-90.3	0	0	0	111.7	R37 D38 M44 R45 V70 K72	R37-N41 WeakPolarHBondContact O-CB 3.39Å; R37-N41 PolarHBondContact O-N 2.8Å; D38-N41 PolarHBondContact O-N 3.15Å; N41-M44 PolarHBondContact O-N 2.92Å; N41-R45 WeakPolarHBondContact O-CB 3.34Å; N41-R45 PolarHBondContact O-N 2.99Å; N41-V70 WeakPolarHBondContact CA-O 3.36Å; N41-V70 WeakPolarHBondContact CB-O 3.49Å; N41-V70 PolarHBondContact ND2-O 2.69Å; N41-K72 PolarHBondContact ND2-N 3.12Å; N41-K72 PolarHBondContact ND2-O 3.39Å
42	S	98.2	Very high	97.7	Very high	14 Å²	14	47.6 Å²	47.6	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-36.6	-178.6	52.1	0	0	0	0	112.4	D38 A39 L40 R45 E46 R185	D38-S42 VanDerWaalsContact O-CB 3.27Å; D38-S42 WeakPolarHBondContact O-CB 3.35Å; D38-S42 PolarHBondContact O-N 3.35Å; D38-S42 PolarHBondContact O-OG 3.02Å; A39-S42 PolarHBondContact O-OG 3.12Å; L40-S42 PolarHBondContact O-N 3.29Å; S42-R45 PolarHBondContact O-N 2.84Å; S42-E46 WeakPolarHBondContact O-CB 3.46Å; S42-E46 VanDerWaalsContact O-CD 3.32Å; S42-E46 WeakPolarHBondContact O-CG 3.37Å; S42-E46 PolarHBondContact O-N 3.26Å; S42-R185 PolarHBondContact OG-NH1 3.3Å
43	A	98.7	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-49.4	170.5	0	0	0	0	0	112.5	A39 L40 R45 E46 E47 R185 L188 K189	A39-A43 WeakPolarHBondContact O-CB 3.24Å; A39-A43 PolarHBondContact O-N 3.16Å; L40-A43 PolarHBondContact O-N 3.24Å; A43-R45 PolarHBondContact O-N 3.05Å; A43-E46 PolarHBondContact O-N 3.34Å; A43-E47 WeakPolarHBondContact O-CG 3.39Å; A43-E47 PolarHBondContact O-N 2.94Å; A43-E47 VanDerWaalsContact O-N 3.12Å; A43-R185 HydrophobicContact CB-CG 4.28Å; A43-L188 HydrophobicContact CB-CB 4.43Å; A43-L188 HydrophobicContact CB-CD2 4.24Å; A43-K189 HydrophobicContact CB-CD 4.19Å; A43-K189 HydrophobicContact CB-CG 3.77Å
44	M	98.8	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-42	177.5	-69.9	-172.6	-71.2	0	0	112.3	L40 N41 E46 E47 L48 I56 V70 T71 L74 I108 L188	L40-M44 PolarHBondContact O-N 2.76Å; N41-M44 PolarHBondContact O-N 2.92Å; M44-E46 PolarHBondContact O-N 3.45Å; M44-E47 PolarHBondContact O-N 3.44Å; M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 VanDerWaalsContact O-CG 3.3Å; M44-L48 WeakPolarHBondContact O-CG 3.44Å; M44-L48 PolarHBondContact O-N 3.39Å; M44-I56 HydrophobicContact CB-CD1 4.25Å; M44-I56 HydrophobicContact SD-CD1 3.85Å; M44-V70 HydrophobicContact CE-CG1 3.72Å; M44-T71 HydrophobicContact CE-CG2 3.88Å; M44-T71 HydrophobicContact SD-CG2 4.38Å; M44-L74 HydrophobicContact CB-CD1 3.98Å; M44-L74 HydrophobicContact CE-CD1 4.08Å; M44-I108 HydrophobicContact CG-CD1 4.25Å; M44-I108 HydrophobicContact SD-CG2 4.41Å; M44-L188 HydrophobicContact CG-CD2 3.67Å; M44-L188 HydrophobicContact SD-CD2 4.44Å
45	R	98.7	Very high	98.6	Very high	80 Å²	80	39.2 Å²	39.2	30%	0.302	18%	0.179	S	C	.	.	H	α-helix	trans	-57.5	-48.9	176.8	-177.4	-179.7	63.8	84.4	1.6	111.5	N41 S42 A43 E47 L48 E49 L74 M77 F78	N41-R45 WeakPolarHBondContact O-CB 3.34Å; N41-R45 PolarHBondContact O-N 2.99Å; S42-R45 PolarHBondContact O-N 2.84Å; A43-R45 PolarHBondContact O-N 3.05Å; R45-E47 PolarHBondContact O-N 3.31Å; R45-L48 PolarHBondContact O-N 3.12Å; R45-E49 WeakPolarHBondContact CG-OE1 3.17Å; R45-E49 IonicContact CZ-OE1 3.07Å; R45-E49 IonicContact NH1-OE1 2.67Å; R45-E49 PolarHBondContact NH1-OE1 3.08Å; R45-E49 IonicContact NH1-OE2 2.79Å; R45-E49 PolarHBondContact NH1-OE2 2.94Å; R45-E49 WeakPolarHBondContact O-CB 3.41Å; R45-E49 WeakPolarHBondContact O-CG 3.31Å; R45-E49 PolarHBondContact O-N 2.91Å; R45-L74 HydrophobicContact CB-CD2 3.8Å; R45-L74 HydrophobicContact CG-CD2 4.34Å; R45-M77 HydrophobicContact CG-CE 4.05Å; R45-F78 HydrophobicContact CG-CE2 4.29Å; R45-F78 HydrophobicContact CG-CZ 4.23Å
46	E	98.7	Very high	98.6	Very high	19 Å²	19	38 Å²	38	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-40.1	-180	-71.2	160.3	-160.2	0	0	112	S42 A43 M44 E49 R50 R185 K189	S42-E46 WeakPolarHBondContact O-CB 3.46Å; S42-E46 VanDerWaalsContact O-CD 3.32Å; S42-E46 WeakPolarHBondContact O-CG 3.37Å; S42-E46 PolarHBondContact O-N 3.26Å; A43-E46 PolarHBondContact O-N 3.34Å; M44-E46 PolarHBondContact O-N 3.45Å; E46-E49 PolarHBondContact O-N 3.15Å; E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 PolarHBondContact O-N 2.98Å; E46-R185 IonicContact OE1-CZ 3.41Å; E46-R185 IonicContact OE1-NH1 3.81Å; E46-R185 PolarHBondContact OE1-NH1 3.36Å; E46-R185 IonicContact OE1-NH2 2.74Å; E46-R185 PolarHBondContact OE1-NH2 3.33Å; E46-R185 IonicContact OE2-CZ 3.71Å; E46-R185 IonicContact OE2-NH1 2.58Å; E46-R185 IonicContact OE2-NH2 3.49Å; E46-R185 PolarHBondContact OE2-NH2 3.33Å; E46-K189 WeakPolarHBondContact OE2-CE 3.32Å; E46-K189 IonicContact OE2-NZ 3.31Å; E46-K189 PolarHBondContact OE2-NZ 3.47Å
47	E	98.8	Very high	98.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-72.5	-33.8	177.2	-61.7	-51.3	124.1	0	0	112.7	A43 M44 R45 R50 D51 K189 I192 R193	A43-E47 WeakPolarHBondContact O-CG 3.39Å; A43-E47 PolarHBondContact O-N 2.94Å; A43-E47 VanDerWaalsContact O-N 3.12Å; M44-E47 PolarHBondContact O-N 3.44Å; R45-E47 PolarHBondContact O-N 3.31Å; E47-R50 PolarHBondContact O-N 2.92Å; E47-D51 PolarHBondContact O-N 3.44Å; E47-K189 HydrophobicContact CG-CB 4.4Å; E47-K189 HydrophobicContact CG-CG 4.11Å; E47-K189 WeakPolarHBondContact OE1-CE 3.39Å; E47-K189 IonicContact OE1-NZ 2.83Å; E47-K189 PolarHBondContact OE1-NZ 3.13Å; E47-I192 HydrophobicContact CB-CB 4.5Å; E47-I192 HydrophobicContact CB-CD1 3.96Å; E47-I192 HydrophobicContact CB-CG2 3.88Å; E47-I192 HydrophobicContact CG-CB 4.19Å; E47-I192 HydrophobicContact CG-CD1 3.76Å; E47-I192 HydrophobicContact CG-CG2 4.05Å; E47-R193 IonicContact OE1-CZ 2.83Å; E47-R193 IonicContact OE1-NE 3.89Å; E47-R193 PolarHBondContact OE1-NE 2.71Å; E47-R193 IonicContact OE1-NH2 2.68Å; E47-R193 PolarHBondContact OE1-NH2 2.67Å; E47-R193 WeakPolarHBondContact OE2-CG 3.41Å; E47-R193 IonicContact OE2-CZ 2.85Å; E47-R193 IonicContact OE2-NE 2.62Å; E47-R193 PolarHBondContact OE2-NE 3.26Å; E47-R193 IonicContact OE2-NH2 2.8Å; E47-R193 PolarHBondContact OE2-NH2 2.98Å
48	L	98.7	Very high	98.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-37.7	172.3	-76.4	169.3	0	0	0	112.8	M44 R45 V54 I56 L74 F78 R82	M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 VanDerWaalsContact O-CG 3.3Å; M44-L48 WeakPolarHBondContact O-CG 3.44Å; M44-L48 PolarHBondContact O-N 3.39Å; R45-L48 PolarHBondContact O-N 3.12Å; L48-V54 HydrophobicContact CD2-CB 4.25Å; L48-V54 HydrophobicContact CD2-CG1 3.84Å; L48-V54 WeakPolarHBondContact CD2-O 3.45Å; L48-V54 HydrophobicContact CG-CG1 4.3Å; L48-I56 HydrophobicContact CD1-CD1 3.71Å; L48-I56 HydrophobicContact CD1-CG1 4.31Å; L48-L74 HydrophobicContact CD1-CD1 4.29Å; L48-F78 HydrophobicContact CB-CD1 4.16Å; L48-F78 HydrophobicContact CB-CD2 4.23Å; L48-F78 HydrophobicContact CB-CE1 3.7Å; L48-F78 HydrophobicContact CB-CE2 3.8Å; L48-F78 HydrophobicContact CB-CG 4.41Å; L48-F78 HydrophobicContact CB-CZ 3.51Å; L48-F78 HydrophobicContact CD1-CD2 3.66Å; L48-F78 HydrophobicContact CD1-CE2 3.65Å; L48-F78 HydrophobicContact CD1-CG 4.3Å; L48-F78 HydrophobicContact CD1-CZ 4.26Å; L48-F78 HydrophobicContact CG-CE2 4.39Å; L48-R82 PolarHBondContact O-NH1 3.22Å; L48-R82 PolarHBondContact O-NH2 2.97Å
49	E	98.5	Very high	98.6	Very high	112 Å²	112	32 Å²	32	52%	0.523	14%	0.143	S	C	.	.	H	α-helix	trans	-66.3	-40.9	172.7	-79.1	166.5	-167.6	0	0	111.3	R45 E46 F78	R45-E49 WeakPolarHBondContact CG-OE1 3.17Å; R45-E49 IonicContact CZ-OE1 3.07Å; R45-E49 IonicContact NH1-OE1 2.67Å; R45-E49 PolarHBondContact NH1-OE1 3.08Å; R45-E49 IonicContact NH1-OE2 2.79Å; R45-E49 PolarHBondContact NH1-OE2 2.94Å; R45-E49 WeakPolarHBondContact O-CB 3.41Å; R45-E49 WeakPolarHBondContact O-CG 3.31Å; R45-E49 PolarHBondContact O-N 2.91Å; E46-E49 PolarHBondContact O-N 3.15Å; E49-F78 HydrophobicContact CG-CE1 4.06Å; E49-F78 HydrophobicContact CG-CZ 3.89Å
50	R	98.5	Very high	98.6	Very high	143 Å²	143	36 Å²	36	54%	0.54	16%	0.162	S	C	.	.	H	α-helix	trans	-72.6	-41.5	-176	-178.9	-178.5	176.5	-75.1	-6	113.3	E46 E47	E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 PolarHBondContact O-N 2.98Å; E47-R50 PolarHBondContact O-N 2.92Å
51	D	98.5	Very high	98.6	Very high	22 Å²	22	36 Å²	36	12%	0.118	16%	0.162	C	C	.	.			trans	-133.1	115.6	-169.2	-170	-18.5	0	0	0	110.7	E47 D53 V54 R82 K106	E47-D51 PolarHBondContact O-N 3.44Å; D51-D53 PolarHBondContact O-N 2.61Å; D51-D53 WeakPolarHBondContact OD1-CB 3.48Å; D51-D53 PolarHBondContact OD1-N 2.82Å; D51-V54 HydrophobicContact CB-CG2 3.79Å; D51-V54 PolarHBondContact O-N 3.03Å; D51-R82 PolarHBondContact O-NH2 3.38Å; D51-K106 WeakPolarHBondContact OD2-CE 3.47Å; D51-K106 IonicContact OD2-NZ 2.86Å; D51-K106 PolarHBondContact OD2-NZ 3.15Å
52	K	98.2	Very high	98.6	Very high	161 Å²	161	34.8 Å²	34.8	70%	0.7	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.6	-178.9	61.3	164.1	-170.3	140.1	0	113.2	V54 R82	K52-V54 VanDerWaalsContact C-N 3.33Å; K52-R82 PolarHBondContact O-NE 2.95Å
53	D	98.5	Very high	98.6	Very high	53 Å²	53	40.5 Å²	40.5	28%	0.283	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.7	-177.5	-59.2	-34.1	0	0	0	111.3	D51 L105 K106	D51-D53 PolarHBondContact O-N 2.61Å; D51-D53 WeakPolarHBondContact OD1-CB 3.48Å; D51-D53 PolarHBondContact OD1-N 2.82Å; D53-L105 HydrophobicContact CB-CD2 4.13Å; D53-K106 PolarHBondContact O-N 2.92Å
54	V	98.8	Very high	98.5	Very high	1 Å²	1	47 Å²	47	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.2	171.2	178.3	0	0	0	0	109.9	L48 D51 K52 R82 K106 I108 I192	L48-V54 HydrophobicContact CD2-CB 4.25Å; L48-V54 HydrophobicContact CD2-CG1 3.84Å; L48-V54 WeakPolarHBondContact CD2-O 3.45Å; L48-V54 HydrophobicContact CG-CG1 4.3Å; D51-V54 HydrophobicContact CB-CG2 3.79Å; D51-V54 PolarHBondContact O-N 3.03Å; K52-V54 VanDerWaalsContact C-N 3.33Å; V54-R82 PolarHBondContact O-NE 3.15Å; V54-R82 PolarHBondContact O-NH2 3.02Å; V54-K106 WeakPolarHBondContact CA-O 3.39Å; V54-K106 HydrophobicContact CG2-CB 3.91Å; V54-K106 HydrophobicContact CG2-CD 4.21Å; V54-I108 HydrophobicContact CG1-CD1 3.76Å; V54-I108 HydrophobicContact CG1-CG1 4.24Å; V54-I192 HydrophobicContact CG1-CG2 4.19Å; V54-I192 HydrophobicContact CG2-CG2 3.76Å
55	I	98.8	Very high	98.5	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.087	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.4	174.5	62.5	169.5	0	0	0	109.8	L57 R82 I84 L105 K106 P107 I108	I55-L57 HydrophobicContact CD1-CD2 4.42Å; I55-R82 CarbonylContact C-O 3.59Å; I55-R82 WeakPolarHBondContact CA-O 3.3Å; I55-I84 HydrophobicContact CD1-CD1 4.37Å; I55-L105 HydrophobicContact CD1-CD1 4.08Å; I55-K106 PolarHBondContact N-O 3.33Å; I55-P107 HydrophobicContact CD1-CB 4.29Å; I55-P107 HydrophobicContact CG1-CB 3.93Å; I55-P107 CarbonylContact O-C 3.57Å; I55-P107 WeakPolarHBondContact O-CA 3.27Å; I55-I108 PolarHBondContact O-N 3.25Å
56	I	98.9	Very high	98.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.2	171.9	-57.7	176.3	0	0	0	108	M44 L48 V61 T71 L74 R82 V83 I84 I108	M44-I56 HydrophobicContact CB-CD1 4.25Å; M44-I56 HydrophobicContact SD-CD1 3.85Å; L48-I56 HydrophobicContact CD1-CD1 3.71Å; L48-I56 HydrophobicContact CD1-CG1 4.31Å; I56-V61 HydrophobicContact CG2-CB 4.2Å; I56-V61 HydrophobicContact CG2-CG1 4.43Å; I56-V61 HydrophobicContact CG2-CG2 4.25Å; I56-T71 HydrophobicContact CG2-CG2 4.3Å; I56-L74 HydrophobicContact CD1-CD1 3.51Å; I56-R82 PolarHBondContact N-O 3.36Å; I56-V83 HydrophobicContact CB-CG1 4.31Å; I56-V83 HydrophobicContact CG2-CG1 4.49Å; I56-V83 WeakPolarHBondContact O-CA 3.41Å; I56-I84 PolarHBondContact O-N 3.24Å; I56-I108 WeakPolarHBondContact CA-O 3.32Å; I56-I108 HydrophobicContact CG1-CB 4.14Å; I56-I108 HydrophobicContact CG1-CD1 4.05Å
57	L	98.9	Very high	98.4	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.2	170.6	68.8	159.2	0	0	0	111.4	I55 I84 T86 F93 A97 P107 I108 C109 E110	I55-L57 HydrophobicContact CD1-CD2 4.42Å; L57-I84 WeakPolarHBondContact CA-O 3.38Å; L57-I84 HydrophobicContact CB-CB 4.15Å; L57-T86 HydrophobicContact CB-CG2 4.13Å; L57-T86 HydrophobicContact CD1-CG2 4.42Å; L57-F93 HydrophobicContact CD1-CB 4.32Å; L57-A97 HydrophobicContact CD1-CB 4.18Å; L57-A97 HydrophobicContact CD2-CB 4Å; L57-P107 HydrophobicContact CD2-CB 3.71Å; L57-I108 PolarHBondContact N-O 3.04Å; L57-C109 WeakPolarHBondContact O-CA 3.25Å; L57-E110 PolarHBondContact O-N 3.38Å
58	G	98.8	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	-177.6	176.7	0	0	0	0	0	111.3	V61 I84 D85 T86	G58-V61 WeakPolarHBondContact O-CG2 3.25Å; G58-I84 PolarHBondContact N-O 3.04Å; G58-D85 WeakPolarHBondContact O-CA 3.44Å; G58-T86 PolarHBondContact O-N 3.1Å; G58-T86 PolarHBondContact O-OG1 3.17Å
59	E	98.6	Very high	98.3	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.047	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	127.2	178.4	-65.6	161.8	-153.8	0	0	110.4	V61 T86 I88 F93 M112	E59-V61 PolarHBondContact O-N 3.21Å; E59-V61 VanDerWaalsContact O-N 3.15Å; E59-T86 PolarHBondContact N-OG1 3.18Å; E59-I88 HydrophobicContact CG-CG1 4.3Å; E59-I88 WeakPolarHBondContact OE1-CA 3.42Å; E59-F93 HydrophobicContact CG-CE1 4.23Å; E59-F93 WeakPolarHBondContact OE1-CE1 3.21Å; E59-M112 HydrophobicContact CB-CE 3.97Å
60	E	98.2	Very high	98.4	Very high	85 Å²	85	45.9 Å²	45.9	40%	0.397	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	14.7	174.5	-51	-59	167.4	0	0	115.5	A62 Y64 G66 D85 M112	E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.92Å; E60-Y64 HydrophobicContact CB-CD1 3.86Å; E60-Y64 HydrophobicContact CB-CG 4.14Å; E60-Y64 HydrophobicContact CG-CD1 4.37Å; E60-Y64 VanDerWaalsContact OE2-CB 3.22Å; E60-Y64 WeakPolarHBondContact OE2-CB 3.24Å; E60-G66 WeakPolarHBondContact O-CA 3.39Å; E60-G66 PolarHBondContact O-N 3.16Å; E60-D85 VanDerWaalsContact CA-OD1 3.28Å; E60-D85 WeakPolarHBondContact CA-OD1 3.33Å; E60-D85 PolarHBondContact N-OD1 3.39Å; E60-M112 HydrophobicContact CG-CE 4.16Å
61	V	98.5	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-72.1	-23.8	-176.9	-60.9	0	0	0	0	113.6	I56 G58 E59 T71 V83 I84 D85 E110	I56-V61 HydrophobicContact CG2-CB 4.2Å; I56-V61 HydrophobicContact CG2-CG1 4.43Å; I56-V61 HydrophobicContact CG2-CG2 4.25Å; G58-V61 WeakPolarHBondContact O-CG2 3.25Å; E59-V61 PolarHBondContact O-N 3.21Å; E59-V61 VanDerWaalsContact O-N 3.15Å; V61-T71 HydrophobicContact CB-CG2 4.28Å; V61-T71 WeakPolarHBondContact O-CB 3.45Å; V61-T71 PolarHBondContact O-OG1 2.84Å; V61-V83 HydrophobicContact CG2-CG1 4.16Å; V61-I84 VanDerWaalsContact CG2-O 3.26Å; V61-I84 WeakPolarHBondContact CG2-O 3.11Å; V61-D85 PolarHBondContact N-OD1 3.45Å; V61-E110 HydrophobicContact CG1-CB 3.86Å; V61-E110 HydrophobicContact CG1-CG 4.13Å
62	A	98.6	Very high	98.4	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	20%	0.202	C	C	.	.	S	Bend	trans	-101.7	-89.1	-174.6	0	0	0	0	0	113.2	E60 Y64 D65 W75 V83 D85	E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.92Å; A62-Y64 VanDerWaalsContact C-N 3.28Å; A62-Y64 PolarHBondContact O-N 2.51Å; A62-D65 PolarHBondContact O-N 2.67Å; A62-W75 HydrophobicContact CB-CB 3.72Å; A62-W75 VanDerWaalsContact CB-CD1 3.5Å; A62-W75 HydrophobicContact CB-CD2 4.46Å; A62-W75 HydrophobicContact CB-CG 3.61Å; A62-V83 HydrophobicContact CB-CB 4.45Å; A62-V83 HydrophobicContact CB-CG1 3.93Å; A62-D85 HydrophobicContact CB-CB 4.43Å; A62-D85 WeakPolarHBondContact CB-OD2 3.22Å; A62-D85 PolarHBondContact N-OD1 2.89Å
63	Q	97.3	Very high	98.4	Very high	134 Å²	134	37.3 Å²	37.3	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.5	-168	-67.1	-170	-27.7	0	0	112.9	D65 W75 D85	Q63-D65 PolarHBondContact O-N 3.43Å; Q63-W75 HydrophobicContact CG-CD2 4.26Å; Q63-W75 HydrophobicContact CG-CE3 4.34Å; Q63-W75 HydrophobicContact CG-CH2 4.07Å; Q63-W75 HydrophobicContact CG-CZ2 3.95Å; Q63-W75 HydrophobicContact CG-CZ3 4.26Å; Q63-D85 PolarHBondContact N-OD2 3.42Å
64	Y	97.9	Very high	98.4	Very high	137 Å²	137	34.8 Å²	34.8	54%	0.537	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.8	177.1	-166.2	-104.2	0	0	0	113.6	E60 A62 G66 K69	E60-Y64 HydrophobicContact CB-CD1 3.86Å; E60-Y64 HydrophobicContact CB-CG 4.14Å; E60-Y64 HydrophobicContact CG-CD1 4.37Å; E60-Y64 VanDerWaalsContact OE2-CB 3.22Å; E60-Y64 WeakPolarHBondContact OE2-CB 3.24Å; A62-Y64 VanDerWaalsContact C-N 3.28Å; A62-Y64 PolarHBondContact O-N 2.51Å; Y64-G66 PolarHBondContact O-N 2.65Å; Y64-K69 VanDerWaalsContact CE1-NZ 3.31Å; Y64-K69 PolarHBondContact O-NZ 2.97Å
65	D	98.1	Very high	98.4	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.134	18%	0.175	C	C	.	.	S	Bend	trans	62.4	22.5	-178.2	-82.4	-45.7	0	0	0	113.4	A62 Q63 K69 K72 G73 K76	A62-D65 PolarHBondContact O-N 2.67Å; Q63-D65 PolarHBondContact O-N 3.43Å; D65-K69 HydrophobicContact CB-CD 4.08Å; D65-K69 VanDerWaalsContact O-CA 3.26Å; D65-K69 WeakPolarHBondContact O-CA 3.39Å; D65-K72 HydrophobicContact CB-CB 4.15Å; D65-K72 HydrophobicContact CB-CG 4.05Å; D65-K72 WeakPolarHBondContact O-CA 3.48Å; D65-K72 PolarHBondContact O-N 2.84Å; D65-G73 PolarHBondContact OD1-N 2.61Å; D65-K76 IonicContact OD1-NZ 3.82Å; D65-K76 IonicContact OD2-NZ 2.97Å; D65-K76 PolarHBondContact OD2-NZ 3.16Å
66	G	97.9	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.201	C	C	.	.			trans	90.9	138.3	-179.4	0	0	0	0	0	113.4	E60 Y64 Y68 K69 T71	E60-G66 WeakPolarHBondContact O-CA 3.39Å; E60-G66 PolarHBondContact O-N 3.16Å; Y64-G66 PolarHBondContact O-N 2.65Å; G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.14Å; G66-K69 PolarHBondContact O-N 3.01Å; G66-K69 PolarHBondContact O-NZ 2.73Å; G66-T71 WeakPolarHBondContact CA-OG1 3.14Å; G66-T71 PolarHBondContact N-OG1 3.15Å
67	A	97.3	Very high	98.3	Very high	28 Å²	28	48.6 Å²	48.6	23%	0.231	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-44.7	178.7	0	0	0	0	0	112.2	M112	A67-M112 HydrophobicContact CB-CE 4.1Å; A67-M112 HydrophobicContact CB-CG 3.8Å; A67-M112 HydrophobicContact CB-SD 4.23Å
68	Y	97.9	Very high	98.3	Very high	63 Å²	63	50.1 Å²	50.1	25%	0.247	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	17.9	175.2	-62.3	-81.9	0	0	0	113.6	R37 G66 V70 M112 P148 E204 Y207	R37-Y68 PolarHBondContact NE-O 2.82Å; G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.14Å; Y68-V70 PolarHBondContact O-N 3Å; Y68-M112 HydrophobicContact CE2-CG 4.35Å; Y68-M112 WeakPolarHBondContact CE2-O 3.4Å; Y68-P148 HydrophobicContact CD2-CG 4.08Å; Y68-P148 HydrophobicContact CE2-CG 3.77Å; Y68-E204 HydrophobicContact CD1-CG 3.69Å; Y68-E204 HydrophobicContact CE1-CG 3.38Å; Y68-Y207 HydrophobicContact CD1-CD2 4.38Å; Y68-Y207 HydrophobicContact CD1-CE2 4.36Å; Y68-Y207 HydrophobicContact CD2-CE2 4.23Å; Y68-Y207 HydrophobicContact CG-CD2 4.14Å; Y68-Y207 AromaticContact CG-CE2 3.82Å; Y68-Y207 HydrophobicContact CG-CE2 3.82Å
69	K	98.4	Very high	98.3	Very high	72 Å²	72	51.4 Å²	51.4	31%	0.313	24%	0.244	S	C	.	.	S	Bend	trans	63.2	19	179.7	-53.8	-69.8	166	-100.7	0	115.7	R37 Y64 D65 G66 K72	R37-K69 WeakPolarHBondContact CD-O 3.36Å; Y64-K69 VanDerWaalsContact CE1-NZ 3.31Å; Y64-K69 PolarHBondContact O-NZ 2.97Å; D65-K69 HydrophobicContact CB-CD 4.08Å; D65-K69 VanDerWaalsContact O-CA 3.26Å; D65-K69 WeakPolarHBondContact O-CA 3.39Å; G66-K69 PolarHBondContact O-N 3.01Å; G66-K69 PolarHBondContact O-NZ 2.73Å; K69-K72 HydrophobicContact CB-CB 4.45Å; K69-K72 VanDerWaalsContact O-CB 3.32Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å
70	V	98.7	Very high	98.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-35	178.8	-174.5	0	0	0	0	111.6	R37 L40 N41 M44 Y68 K72 Y207	R37-V70 HydrophobicContact CG-CG2 4.2Å; L40-V70 HydrophobicContact CB-CG1 3.56Å; L40-V70 HydrophobicContact CD1-CG1 4.03Å; L40-V70 HydrophobicContact CG-CG1 4.43Å; N41-V70 WeakPolarHBondContact CA-O 3.36Å; N41-V70 WeakPolarHBondContact CB-O 3.49Å; N41-V70 PolarHBondContact ND2-O 2.69Å; M44-V70 HydrophobicContact CE-CG1 3.72Å; Y68-V70 PolarHBondContact O-N 3Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-Y207 HydrophobicContact CG2-CD1 4.21Å; V70-Y207 HydrophobicContact CG2-CD2 4.39Å; V70-Y207 HydrophobicContact CG2-CE1 3.93Å; V70-Y207 HydrophobicContact CG2-CE2 4.13Å; V70-Y207 HydrophobicContact CG2-CG 4.45Å
71	T	98.7	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	13.4	177.5	57.3	0	0	0	0	113.5	M44 I56 V61 G66 G73 L74	M44-T71 HydrophobicContact CE-CG2 3.88Å; M44-T71 HydrophobicContact SD-CG2 4.38Å; I56-T71 HydrophobicContact CG2-CG2 4.3Å; V61-T71 HydrophobicContact CB-CG2 4.28Å; V61-T71 WeakPolarHBondContact O-CB 3.45Å; V61-T71 PolarHBondContact O-OG1 2.84Å; G66-T71 WeakPolarHBondContact CA-OG1 3.14Å; G66-T71 PolarHBondContact N-OG1 3.15Å; T71-G73 PolarHBondContact O-N 3.36Å; T71-L74 HydrophobicContact CG2-CD1 4.29Å; T71-L74 WeakPolarHBondContact O-CB 3.39Å; T71-L74 VanDerWaalsContact O-CG 3.32Å; T71-L74 WeakPolarHBondContact O-CG 3.15Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.08Å
72	K	98.6	Very high	98.2	Very high	128 Å²	128	59.5 Å²	59.5	56%	0.557	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	129.6	-176.9	-179.5	-179.5	179.7	-174.1	0	111.9	N41 D65 K69 V70 L74	N41-K72 PolarHBondContact ND2-N 3.12Å; N41-K72 PolarHBondContact ND2-O 3.39Å; D65-K72 HydrophobicContact CB-CB 4.15Å; D65-K72 HydrophobicContact CB-CG 4.05Å; D65-K72 WeakPolarHBondContact O-CA 3.48Å; D65-K72 PolarHBondContact O-N 2.84Å; K69-K72 HydrophobicContact CB-CB 4.45Å; K69-K72 VanDerWaalsContact O-CB 3.32Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å; V70-K72 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 2.9Å
73	G	98.5	Very high	98.2	Very high	18 Å²	18	59.4 Å²	59.4	19%	0.186	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	-13.9	177.3	0	0	0	0	0	115.2	D65 T71 W75 K76 M77	D65-G73 PolarHBondContact OD1-N 2.61Å; T71-G73 PolarHBondContact O-N 3.36Å; G73-W75 PolarHBondContact O-N 3.05Å; G73-K76 PolarHBondContact O-N 2.68Å; G73-M77 WeakPolarHBondContact O-CE 3.34Å; G73-M77 WeakPolarHBondContact O-CG 3.4Å; G73-M77 PolarHBondContact O-N 3.32Å
74	L	98.8	Very high	98.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-45.2	-176.4	-60.3	-176.7	0	0	0	111.4	M44 R45 L48 I56 T71 K72 K76 M77 F78 V83	M44-L74 HydrophobicContact CB-CD1 3.98Å; M44-L74 HydrophobicContact CE-CD1 4.08Å; R45-L74 HydrophobicContact CB-CD2 3.8Å; R45-L74 HydrophobicContact CG-CD2 4.34Å; L48-L74 HydrophobicContact CD1-CD1 4.29Å; I56-L74 HydrophobicContact CD1-CD1 3.51Å; T71-L74 HydrophobicContact CG2-CD1 4.29Å; T71-L74 WeakPolarHBondContact O-CB 3.39Å; T71-L74 VanDerWaalsContact O-CG 3.32Å; T71-L74 WeakPolarHBondContact O-CG 3.15Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.08Å; K72-L74 PolarHBondContact O-N 2.9Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å; L74-M77 HydrophobicContact CD2-CE 3.62Å; L74-M77 PolarHBondContact O-N 3.35Å; L74-F78 HydrophobicContact CB-CD2 4.42Å; L74-F78 HydrophobicContact CD2-CE2 4.18Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; L74-F78 PolarHBondContact O-N 3.09Å; L74-V83 HydrophobicContact CB-CG2 4.02Å
75	W	98.7	Very high	98.3	Very high	65 Å²	65	52.1 Å²	52.1	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-40.7	177	173.2	76.7	0	0	0	112.9	A62 Q63 G73 M77 F78 G79 D80 V83	A62-W75 HydrophobicContact CB-CB 3.72Å; A62-W75 VanDerWaalsContact CB-CD1 3.5Å; A62-W75 HydrophobicContact CB-CD2 4.46Å; A62-W75 HydrophobicContact CB-CG 3.61Å; Q63-W75 HydrophobicContact CG-CD2 4.26Å; Q63-W75 HydrophobicContact CG-CE3 4.34Å; Q63-W75 HydrophobicContact CG-CH2 4.07Å; Q63-W75 HydrophobicContact CG-CZ2 3.95Å; Q63-W75 HydrophobicContact CG-CZ3 4.26Å; G73-W75 PolarHBondContact O-N 3.05Å; W75-M77 PolarHBondContact O-N 3.41Å; W75-F78 PolarHBondContact O-N 3.46Å; W75-G79 VanDerWaalsContact O-CA 3.32Å; W75-G79 WeakPolarHBondContact O-CA 3.49Å; W75-G79 PolarHBondContact O-N 3.48Å; W75-D80 PolarHBondContact NE1-OD1 3.3Å; W75-V83 HydrophobicContact CB-CB 4.05Å; W75-V83 HydrophobicContact CB-CG1 4.1Å
76	K	98.4	Very high	98.4	Very high	142 Å²	142	52.1 Å²	52.1	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-62.3	-29	176.1	-67.1	171.2	-177.7	143.8	0	112.5	D65 G73 L74	D65-K76 IonicContact OD1-NZ 3.82Å; D65-K76 IonicContact OD2-NZ 2.97Å; D65-K76 PolarHBondContact OD2-NZ 3.16Å; G73-K76 PolarHBondContact O-N 2.68Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å
77	M	98.3	Very high	98.4	Very high	101 Å²	101	56.5 Å²	56.5	50%	0.498	29%	0.294	S	S	.	.	H	α-helix	trans	-86.5	-39.2	179.7	-69.1	-175.7	-66.4	0	0	113.3	R45 G73 L74 W75	R45-M77 HydrophobicContact CG-CE 4.05Å; G73-M77 WeakPolarHBondContact O-CE 3.34Å; G73-M77 WeakPolarHBondContact O-CG 3.4Å; G73-M77 PolarHBondContact O-N 3.32Å; L74-M77 HydrophobicContact CD2-CE 3.62Å; L74-M77 PolarHBondContact O-N 3.35Å; W75-M77 PolarHBondContact O-N 3.41Å
78	F	98.6	Very high	98.4	Very high	40 Å²	40	61.2 Å²	61.2	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-113.5	-14	-169.8	-58.1	-80	0	0	0	115.1	R45 L48 E49 L74 W75 R82 V83	R45-F78 HydrophobicContact CG-CE2 4.29Å; R45-F78 HydrophobicContact CG-CZ 4.23Å; L48-F78 HydrophobicContact CB-CD1 4.16Å; L48-F78 HydrophobicContact CB-CD2 4.23Å; L48-F78 HydrophobicContact CB-CE1 3.7Å; L48-F78 HydrophobicContact CB-CE2 3.8Å; L48-F78 HydrophobicContact CB-CG 4.41Å; L48-F78 HydrophobicContact CB-CZ 3.51Å; L48-F78 HydrophobicContact CD1-CD2 3.66Å; L48-F78 HydrophobicContact CD1-CE2 3.65Å; L48-F78 HydrophobicContact CD1-CG 4.3Å; L48-F78 HydrophobicContact CD1-CZ 4.26Å; L48-F78 HydrophobicContact CG-CE2 4.39Å; E49-F78 HydrophobicContact CG-CE1 4.06Å; E49-F78 HydrophobicContact CG-CZ 3.89Å; L74-F78 HydrophobicContact CB-CD2 4.42Å; L74-F78 HydrophobicContact CD2-CE2 4.18Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; L74-F78 PolarHBondContact O-N 3.09Å; W75-F78 PolarHBondContact O-N 3.46Å; F78-R82 HydrophobicContact CB-CB 3.59Å; F78-R82 HydrophobicContact CB-CG 4.04Å; F78-R82 WeakPolarHBondContact O-CG 3.41Å; F78-V83 HydrophobicContact CB-CG2 4.36Å
79	G	98.3	Very high	98.5	Very high	27 Å²	27	61.5 Å²	61.5	28%	0.278	32%	0.323	S	S	.	.			trans	74.6	-178.2	174.4	0	0	0	0	0	115.9	W75 T81 R82 V83	W75-G79 VanDerWaalsContact O-CA 3.32Å; W75-G79 WeakPolarHBondContact O-CA 3.49Å; W75-G79 PolarHBondContact O-N 3.48Å; G79-T81 PolarHBondContact O-N 2.96Å; G79-T81 VanDerWaalsContact O-N 3.09Å; G79-R82 PolarHBondContact O-N 2.89Å; G79-R82 VanDerWaalsContact O-N 3.1Å; G79-V83 PolarHBondContact O-N 3.4Å; G79-V83 VanDerWaalsContact O-N 3.15Å
80	D	97.7	Very high	98.5	Very high	115 Å²	115	58.4 Å²	58.4	62%	0.615	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.6	-169.9	-59.7	-35.3	0	0	0	114.8	W75 I84	W75-D80 PolarHBondContact NE1-OD1 3.3Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å
81	T	97.5	Very high	98.5	Very high	113 Å²	113	62 Å²	62	69%	0.693	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.1	-179.2	59.6	0	0	0	0	113.2	G79	G79-T81 PolarHBondContact O-N 2.96Å; G79-T81 VanDerWaalsContact O-N 3.09Å
82	R	98.5	Very high	98.5	Very high	37 Å²	37	63.9 Å²	63.9	14%	0.14	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-28.8	-173.2	-61	-62.6	-60	-73.2	3.9	113.1	L48 D51 K52 V54 I55 I56 F78 G79	L48-R82 PolarHBondContact O-NH1 3.22Å; L48-R82 PolarHBondContact O-NH2 2.97Å; D51-R82 PolarHBondContact O-NH2 3.38Å; K52-R82 PolarHBondContact O-NE 2.95Å; V54-R82 PolarHBondContact O-NE 3.15Å; V54-R82 PolarHBondContact O-NH2 3.02Å; I55-R82 CarbonylContact C-O 3.59Å; I55-R82 WeakPolarHBondContact CA-O 3.3Å; I56-R82 PolarHBondContact N-O 3.36Å; F78-R82 HydrophobicContact CB-CB 3.59Å; F78-R82 HydrophobicContact CB-CG 4.04Å; F78-R82 WeakPolarHBondContact O-CG 3.41Å; G79-R82 PolarHBondContact O-N 2.89Å; G79-R82 VanDerWaalsContact O-N 3.1Å
83	V	98.8	Very high	98.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	110.6	176.8	-169.3	0	0	0	0	107.7	I56 V61 A62 L74 W75 F78 G79	I56-V83 HydrophobicContact CB-CG1 4.31Å; I56-V83 HydrophobicContact CG2-CG1 4.49Å; I56-V83 WeakPolarHBondContact O-CA 3.41Å; V61-V83 HydrophobicContact CG2-CG1 4.16Å; A62-V83 HydrophobicContact CB-CB 4.45Å; A62-V83 HydrophobicContact CB-CG1 3.93Å; L74-V83 HydrophobicContact CB-CG2 4.02Å; W75-V83 HydrophobicContact CB-CB 4.05Å; W75-V83 HydrophobicContact CB-CG1 4.1Å; F78-V83 HydrophobicContact CB-CG2 4.36Å; G79-V83 PolarHBondContact O-N 3.4Å; G79-V83 VanDerWaalsContact O-N 3.15Å
84	I	98.8	Very high	98.5	Very high	61 Å²	61	57.3 Å²	57.3	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.7	-161.5	-56.7	164.5	0	0	0	109.7	I55 I56 L57 G58 V61 D80	I55-I84 HydrophobicContact CD1-CD1 4.37Å; I56-I84 PolarHBondContact O-N 3.24Å; L57-I84 WeakPolarHBondContact CA-O 3.38Å; L57-I84 HydrophobicContact CB-CB 4.15Å; G58-I84 PolarHBondContact N-O 3.04Å; V61-I84 VanDerWaalsContact CG2-O 3.26Å; V61-I84 WeakPolarHBondContact CG2-O 3.11Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å
85	D	98.7	Very high	98.5	Very high	57 Å²	57	58.1 Å²	58.1	31%	0.305	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.3	167.7	-78.4	-33.8	0	0	0	110.4	G58 E60 V61 A62 Q63	G58-D85 WeakPolarHBondContact O-CA 3.44Å; E60-D85 VanDerWaalsContact CA-OD1 3.28Å; E60-D85 WeakPolarHBondContact CA-OD1 3.33Å; E60-D85 PolarHBondContact N-OD1 3.39Å; V61-D85 PolarHBondContact N-OD1 3.45Å; A62-D85 HydrophobicContact CB-CB 4.43Å; A62-D85 WeakPolarHBondContact CB-OD2 3.22Å; A62-D85 PolarHBondContact N-OD1 2.89Å; Q63-D85 PolarHBondContact N-OD2 3.42Å
86	T	98.6	Very high	98.5	Very high	24 Å²	24	59.6 Å²	59.6	15%	0.147	34%	0.337	C	S	.	.			trans	-109.4	157.6	177.3	65	0	0	0	0	111.3	L57 G58 E59 F93	L57-T86 HydrophobicContact CB-CG2 4.13Å; L57-T86 HydrophobicContact CD1-CG2 4.42Å; G58-T86 PolarHBondContact O-N 3.1Å; G58-T86 PolarHBondContact O-OG1 3.17Å; E59-T86 PolarHBondContact N-OG1 3.18Å; T86-F93 HydrophobicContact CG2-CB 3.75Å; T86-F93 HydrophobicContact CG2-CD1 4.37Å; T86-F93 HydrophobicContact CG2-CG 4.08Å; T86-F93 WeakPolarHBondContact OG1-CD1 3.35Å
87	P	98.4	Very high	98.5	Very high	93 Å²	93	52.8 Å²	52.8	60%	0.604	31%	0.308	S	S	*	.			trans	-60.3	165	157.8	-18.2	32.3	0	0	0	111.1	T89	P87-T89 HydrophobicContact CB-CG2 4.17Å; P87-T89 PolarHBondContact O-N 2.73Å
88	I	98.6	Very high	98.6	Very high	127 Å²	127	48.1 Å²	48.1	65%	0.651	29%	0.285	S	S	*	.	S	Bend	trans	-76.3	76.7	172.8	-52	171.4	0	0	0	108.8	E59	E59-I88 HydrophobicContact CG-CG1 4.3Å; E59-I88 WeakPolarHBondContact OE1-CA 3.42Å
89	T	98.4	Very high	98.6	Very high	69 Å²	69	48 Å²	48	42%	0.423	29%	0.294	S	S	.	.			trans	-144.6	63.3	-174.8	53	0	0	0	0	110.7	P87 M91 G92 F93	P87-T89 HydrophobicContact CB-CG2 4.17Å; P87-T89 PolarHBondContact O-N 2.73Å; T89-M91 VanDerWaalsContact C-N 3.33Å; T89-M91 PolarHBondContact O-N 3.19Å; T89-M91 VanDerWaalsContact O-N 3.17Å; T89-G92 VanDerWaalsContact O-CA 3.31Å; T89-G92 WeakPolarHBondContact O-CA 3.32Å; T89-G92 PolarHBondContact O-N 2.64Å; T89-F93 VanDerWaalsContact C-CD1 3.5Å; T89-F93 VanDerWaalsContact O-CD1 3.29Å; T89-F93 WeakPolarHBondContact O-CD1 3.49Å; T89-F93 PolarHBondContact O-N 3.34Å
90	E	98.8	Very high	98.6	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-48.1	-48.6	-170.8	-64.9	92.1	144.2	0	0	113.4	G92 F93 A94 F111 F116 Q119 A120	E90-G92 VanDerWaalsContact C-N 3.28Å; E90-G92 PolarHBondContact O-N 2.97Å; E90-F93 HydrophobicContact CB-CE1 4.15Å; E90-F93 HydrophobicContact CB-CZ 4.18Å; E90-F93 HydrophobicContact CG-CE1 3.96Å; E90-F93 HydrophobicContact CG-CZ 3.97Å; E90-A94 WeakPolarHBondContact O-CB 3.31Å; E90-A94 PolarHBondContact O-N 3.23Å; E90-F111 HydrophobicContact CB-CD1 4.32Å; E90-F111 HydrophobicContact CB-CE1 3.97Å; E90-F111 HydrophobicContact CG-CD1 4.14Å; E90-F111 HydrophobicContact CG-CE1 4.3Å; E90-F116 HydrophobicContact CG-CB 4.16Å; E90-F116 WeakPolarHBondContact OE1-CB 3.36Å; E90-Q119 HydrophobicContact CB-CB 3.96Å; E90-Q119 PolarHBondContact OE1-NE2 3.37Å; E90-Q119 VanDerWaalsContact OE1-NE2 3.1Å; E90-Q119 PolarHBondContact OE2-NE2 2.74Å; E90-Q119 PolarHBondContact OE2-OE1 3.41Å; E90-A120 HydrophobicContact CB-CB 4.13Å; E90-A120 WeakPolarHBondContact O-CB 3.44Å
91	M	98.8	Very high	98.6	Very high	76 Å²	76	42.2 Å²	42.2	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-40.4	176.4	-175.6	64.4	89	0	0	112.3	T89 G95 Q119 D122 Q123	T89-M91 VanDerWaalsContact C-N 3.33Å; T89-M91 PolarHBondContact O-N 3.19Å; T89-M91 VanDerWaalsContact O-N 3.17Å; M91-G95 PolarHBondContact O-N 2.88Å; M91-G95 VanDerWaalsContact O-N 3.15Å; M91-Q119 WeakPolarHBondContact CE-O 3.29Å; M91-D122 HydrophobicContact CE-CB 3.85Å; M91-D122 HydrophobicContact SD-CB 4.37Å; M91-Q123 HydrophobicContact SD-CG 3.57Å; M91-Q123 VanDerWaalsContact SD-CG 3.57Å
92	G	98.7	Very high	98.7	Very high	40 Å²	40	40.7 Å²	40.7	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-67.9	-56.7	-178.3	0	0	0	0	0	111.7	T89 E90 A94 G95 V96	T89-G92 VanDerWaalsContact O-CA 3.31Å; T89-G92 WeakPolarHBondContact O-CA 3.32Å; T89-G92 PolarHBondContact O-N 2.64Å; E90-G92 VanDerWaalsContact C-N 3.28Å; E90-G92 PolarHBondContact O-N 2.97Å; G92-A94 PolarHBondContact O-N 3.45Å; G92-G95 PolarHBondContact O-N 2.83Å; G92-V96 WeakPolarHBondContact O-CG2 3.36Å; G92-V96 PolarHBondContact O-N 2.84Å
93	F	98.7	Very high	98.7	Very high	8 Å²	8	43 Å²	43	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-30.8	-176.6	71.2	-112.2	0	0	0	112.9	L57 E59 T86 T89 E90 G95 V96 A97 F111	L57-F93 HydrophobicContact CD1-CB 4.32Å; E59-F93 HydrophobicContact CG-CE1 4.23Å; E59-F93 WeakPolarHBondContact OE1-CE1 3.21Å; T86-F93 HydrophobicContact CG2-CB 3.75Å; T86-F93 HydrophobicContact CG2-CD1 4.37Å; T86-F93 HydrophobicContact CG2-CG 4.08Å; T86-F93 WeakPolarHBondContact OG1-CD1 3.35Å; T89-F93 VanDerWaalsContact C-CD1 3.5Å; T89-F93 VanDerWaalsContact O-CD1 3.29Å; T89-F93 WeakPolarHBondContact O-CD1 3.49Å; T89-F93 PolarHBondContact O-N 3.34Å; E90-F93 HydrophobicContact CB-CE1 4.15Å; E90-F93 HydrophobicContact CB-CZ 4.18Å; E90-F93 HydrophobicContact CG-CE1 3.96Å; E90-F93 HydrophobicContact CG-CZ 3.97Å; F93-G95 VanDerWaalsContact C-N 3.34Å; F93-V96 PolarHBondContact O-N 3.01Å; F93-A97 PolarHBondContact O-N 3.27Å; F93-F111 HydrophobicContact CE2-CD1 4Å; F93-F111 AromaticContact CE2-CE1 3.79Å; F93-F111 HydrophobicContact CE2-CE1 3.79Å; F93-F111 AromaticContact CZ-CD1 3.87Å; F93-F111 HydrophobicContact CZ-CD1 3.87Å; F93-F111 AromaticContact CZ-CE1 3.93Å; F93-F111 HydrophobicContact CZ-CE1 3.93Å
94	A	98.9	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-40.7	171.7	0	0	0	0	0	111.3	E90 G92 A97 V98 F111 A120 Q123 F145	E90-A94 WeakPolarHBondContact O-CB 3.31Å; E90-A94 PolarHBondContact O-N 3.23Å; G92-A94 PolarHBondContact O-N 3.45Å; A94-A97 WeakPolarHBondContact O-CB 3.32Å; A94-A97 PolarHBondContact O-N 2.92Å; A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 2.69Å; A94-F111 HydrophobicContact CB-CE1 4.38Å; A94-F111 HydrophobicContact CB-CZ 3.94Å; A94-A120 HydrophobicContact CB-CB 3.69Å; A94-Q123 HydrophobicContact CB-CB 4.12Å; A94-Q123 HydrophobicContact CB-CG 4.47Å; A94-F145 HydrophobicContact CB-CE1 4.39Å
95	G	98.8	Very high	98.6	Very high	17 Å²	17	45.2 Å²	45.2	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-38.6	173.3	0	0	0	0	0	113.1	M91 G92 F93 V98 G99	M91-G95 PolarHBondContact O-N 2.88Å; M91-G95 VanDerWaalsContact O-N 3.15Å; G92-G95 PolarHBondContact O-N 2.83Å; F93-G95 VanDerWaalsContact C-N 3.34Å; G95-V98 PolarHBondContact O-N 3.3Å; G95-G99 PolarHBondContact O-N 2.93Å
96	V	98.8	Very high	98.6	Very high	96 Å²	96	45.2 Å²	45.2	58%	0.582	29%	0.294	S	S	*	.	H	α-helix	trans	-62.8	-43.9	172.7	171.4	0	0	0	0	111	G92 F93 G99 A100	G92-V96 WeakPolarHBondContact O-CG2 3.36Å; G92-V96 PolarHBondContact O-N 2.84Å; F93-V96 PolarHBondContact O-N 3.01Å; V96-G99 PolarHBondContact O-N 2.99Å; V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.45Å; V96-A100 PolarHBondContact O-N 2.82Å
97	A	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-48.6	174.9	0	0	0	0	0	111.3	L57 F93 A94 G99 A100 A101 P107 C109 V143	L57-A97 HydrophobicContact CD1-CB 4.18Å; L57-A97 HydrophobicContact CD2-CB 4Å; F93-A97 PolarHBondContact O-N 3.27Å; A94-A97 WeakPolarHBondContact O-CB 3.32Å; A94-A97 PolarHBondContact O-N 2.92Å; A97-G99 PolarHBondContact O-N 3.21Å; A97-A100 PolarHBondContact O-N 3.06Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 2.75Å; A97-P107 HydrophobicContact CB-CB 4.03Å; A97-P107 HydrophobicContact CB-CG 4.13Å; A97-P107 WeakPolarHBondContact O-CG 3.43Å; A97-C109 HydrophobicContact CB-CB 3.9Å; A97-V143 HydrophobicContact CB-CG2 4.23Å
98	V	98.9	Very high	98.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-45.1	178.4	173.3	0	0	0	0	111.6	A94 G95 A100 A101 M102 A128 V141 F145	A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 2.69Å; G95-V98 PolarHBondContact O-N 3.3Å; V98-A100 PolarHBondContact O-N 3.36Å; V98-A101 WeakPolarHBondContact O-CB 3.47Å; V98-A101 PolarHBondContact O-N 3.36Å; V98-M102 HydrophobicContact CG1-CE 3.78Å; V98-M102 HydrophobicContact CG1-SD 4.36Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 2.84Å; V98-A128 HydrophobicContact CG1-CB 4.33Å; V98-A128 HydrophobicContact CG2-CB 3.86Å; V98-V141 HydrophobicContact CG1-CG1 3.99Å; V98-F145 HydrophobicContact CG2-CE1 4.47Å; V98-F145 HydrophobicContact CG2-CZ 3.76Å
99	G	98.7	Very high	98.6	Very high	36 Å²	36	33.7 Å²	33.7	37%	0.371	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-40.4	176.9	0	0	0	0	0	113	G95 V96 A97 M102 A103	G95-G99 PolarHBondContact O-N 2.93Å; V96-G99 PolarHBondContact O-N 2.99Å; A97-G99 PolarHBondContact O-N 3.21Å; G99-M102 PolarHBondContact O-N 2.84Å; G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.49Å
100	A	98.7	Very high	98.7	Very high	20 Å²	20	30.5 Å²	30.5	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-40.7	174.2	0	0	0	0	0	112	V96 A97 V98 A103 G104 L105 P107	V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.45Å; V96-A100 PolarHBondContact O-N 2.82Å; A97-A100 PolarHBondContact O-N 3.06Å; V98-A100 PolarHBondContact O-N 3.36Å; A100-A103 CarbonylContact O-C 3.56Å; A100-A103 PolarHBondContact O-N 2.96Å; A100-A103 VanDerWaalsContact O-N 3.15Å; A100-G104 PolarHBondContact O-N 3.16Å; A100-L105 HydrophobicContact CB-CB 4.28Å; A100-L105 HydrophobicContact CB-CD1 4.15Å; A100-L105 WeakPolarHBondContact O-CB 3.36Å; A100-L105 PolarHBondContact O-N 3.37Å; A100-P107 HydrophobicContact CB-CG 4.41Å
101	A	98.8	Very high	98.7	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-46.5	175.7	0	0	0	0	0	111.8	A97 V98 A103 G104 L105 P107 V141 P142 V143	A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 2.75Å; V98-A101 WeakPolarHBondContact O-CB 3.47Å; V98-A101 PolarHBondContact O-N 3.36Å; A101-A103 PolarHBondContact O-N 3.42Å; A101-G104 PolarHBondContact O-N 3.23Å; A101-L105 WeakPolarHBondContact CA-O 3.24Å; A101-P107 HydrophobicContact CB-CG 3.88Å; A101-V141 HydrophobicContact CB-CG1 3.84Å; A101-P142 HydrophobicContact CB-CG 4.44Å; A101-V143 HydrophobicContact CB-CB 4.06Å
102	M	98.3	Very high	98.7	Very high	80 Å²	80	28.9 Å²	28.9	39%	0.394	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-28.9	174.4	-68.4	177.5	175	0	0	112.9	V98 G99 G104 S127 S131 V139 V141	V98-M102 HydrophobicContact CG1-CE 3.78Å; V98-M102 HydrophobicContact CG1-SD 4.36Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 2.84Å; G99-M102 PolarHBondContact O-N 2.84Å; M102-G104 VanDerWaalsContact C-N 3.31Å; M102-S127 WeakPolarHBondContact CE-O 3.34Å; M102-S131 WeakPolarHBondContact CE-OG 3.48Å; M102-V139 HydrophobicContact CB-CG1 4.32Å; M102-V139 HydrophobicContact CE-CG1 4.19Å; M102-V139 HydrophobicContact CG-CG1 3.74Å; M102-V139 HydrophobicContact SD-CG1 4.19Å; M102-V141 HydrophobicContact CE-CG2 3.76Å; M102-V141 HydrophobicContact CG-CG2 3.94Å
103	A	98.1	Very high	98.7	Very high	87 Å²	87	27.5 Å²	27.5	72%	0.719	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	0.1	177.3	0	0	0	0	0	114	G99 A100 A101	G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.49Å; A100-A103 CarbonylContact O-C 3.56Å; A100-A103 PolarHBondContact O-N 2.96Å; A100-A103 VanDerWaalsContact O-N 3.15Å; A101-A103 PolarHBondContact O-N 3.42Å
104	G	97.3	Very high	98.7	Very high	47 Å²	47	27.1 Å²	27.1	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	2.6	173.8	0	0	0	0	0	115.8	A100 A101 M102	A100-G104 PolarHBondContact O-N 3.16Å; A101-G104 PolarHBondContact O-N 3.23Å; M102-G104 VanDerWaalsContact C-N 3.31Å
105	L	98.5	Very high	98.7	Very high	61 Å²	61	27.5 Å²	27.5	32%	0.319	18%	0.184	S	C	.	.			trans	-80.8	170.9	168.9	-62.3	-177	0	0	0	111.3	D53 I55 A100 A101 P107	D53-L105 HydrophobicContact CB-CD2 4.13Å; I55-L105 HydrophobicContact CD1-CD1 4.08Å; A100-L105 HydrophobicContact CB-CB 4.28Å; A100-L105 HydrophobicContact CB-CD1 4.15Å; A100-L105 WeakPolarHBondContact O-CB 3.36Å; A100-L105 PolarHBondContact O-N 3.37Å; A101-L105 WeakPolarHBondContact CA-O 3.24Å; L105-P107 WeakPolarHBondContact O-CD 3.3Å
106	K	98.8	Very high	98.6	Very high	57 Å²	57	29 Å²	29	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	74.5	176.7	-64.7	-179.2	-176.5	171	0	111	D51 D53 V54 I55 P142	D51-K106 WeakPolarHBondContact OD2-CE 3.47Å; D51-K106 IonicContact OD2-NZ 2.86Å; D51-K106 PolarHBondContact OD2-NZ 3.15Å; D53-K106 PolarHBondContact O-N 2.92Å; V54-K106 WeakPolarHBondContact CA-O 3.39Å; V54-K106 HydrophobicContact CG2-CB 3.91Å; V54-K106 HydrophobicContact CG2-CD 4.21Å; I55-K106 PolarHBondContact N-O 3.33Å; K106-P142 WeakPolarHBondContact CA-O 3.42Å; K106-P142 HydrophobicContact CG-CB 4.3Å; K106-P142 HydrophobicContact CG-CG 4.27Å
107	P	98.9	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.4	-174.5	19.8	-19.5	0	0	0	112.7	I55 L57 A97 A100 A101 L105 P142 V143 V144	I55-P107 HydrophobicContact CD1-CB 4.29Å; I55-P107 HydrophobicContact CG1-CB 3.93Å; I55-P107 CarbonylContact O-C 3.57Å; I55-P107 WeakPolarHBondContact O-CA 3.27Å; L57-P107 HydrophobicContact CD2-CB 3.71Å; A97-P107 HydrophobicContact CB-CB 4.03Å; A97-P107 HydrophobicContact CB-CG 4.13Å; A97-P107 WeakPolarHBondContact O-CG 3.43Å; A100-P107 HydrophobicContact CB-CG 4.41Å; A101-P107 HydrophobicContact CB-CG 3.88Å; L105-P107 WeakPolarHBondContact O-CD 3.3Å; P107-P142 WeakPolarHBondContact CD-O 3.21Å; P107-V143 HydrophobicContact CB-CG2 4.44Å; P107-V143 HydrophobicContact CG-CB 4.25Å; P107-V143 HydrophobicContact CG-CG2 3.95Å; P107-V144 PolarHBondContact O-N 2.94Å
108	I	98.9	Very high	98.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	100.4	163.7	-55.4	170.1	0	0	0	106.1	M44 V54 I55 I56 L57 V144 R146 I192	M44-I108 HydrophobicContact CG-CD1 4.25Å; M44-I108 HydrophobicContact SD-CG2 4.41Å; V54-I108 HydrophobicContact CG1-CD1 3.76Å; V54-I108 HydrophobicContact CG1-CG1 4.24Å; I55-I108 PolarHBondContact O-N 3.25Å; I56-I108 WeakPolarHBondContact CA-O 3.32Å; I56-I108 HydrophobicContact CG1-CB 4.14Å; I56-I108 HydrophobicContact CG1-CD1 4.05Å; L57-I108 PolarHBondContact N-O 3.04Å; I108-V144 CarbonylContact C-O 3.59Å; I108-V144 WeakPolarHBondContact CA-O 3.48Å; I108-R146 HydrophobicContact CG2-CG 3.75Å; I108-I192 HydrophobicContact CD1-CD1 3.49Å; I108-I192 VanDerWaalsContact CD1-CD1 3.49Å; I108-I192 HydrophobicContact CD1-CG1 3.79Å; I108-I192 HydrophobicContact CG1-CD1 4.25Å; I108-I192 HydrophobicContact CG1-CG1 3.99Å
109	C	98.9	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.8	179.8	-175.1	0	0	0	0	109.4	L57 A97 V144 F145 R146	L57-C109 WeakPolarHBondContact O-CA 3.25Å; A97-C109 HydrophobicContact CB-CB 3.9Å; C109-V144 PolarHBondContact N-O 3.12Å; C109-F145 HydrophobicContact CB-CD1 3.71Å; C109-F145 HydrophobicContact CB-CE1 4.05Å; C109-F145 WeakPolarHBondContact O-CA 3.41Å; C109-R146 PolarHBondContact O-N 3.22Å
110	E	98.9	Very high	98.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.4	176.8	179.2	170.5	146.4	0	0	110.7	L57 V61 R146	L57-E110 PolarHBondContact O-N 3.38Å; V61-E110 HydrophobicContact CG1-CB 3.86Å; V61-E110 HydrophobicContact CG1-CG 4.13Å; E110-R146 WeakPolarHBondContact CA-O 3.46Å; E110-R146 VanDerWaalsContact CG-NH1 3.28Å; E110-R146 IonicContact OE2-CZ 3.59Å; E110-R146 IonicContact OE2-NH1 3.44Å; E110-R146 PolarHBondContact OE2-NH1 2.78Å
111	F	98.9	Very high	98.6	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	19%	0.187	C	C	.	.			trans	-95.8	132.7	159.6	-65.1	-71.6	0	0	0	108.6	E90 F93 A94 T113 A117 A120 I124 F145 R146	E90-F111 HydrophobicContact CB-CD1 4.32Å; E90-F111 HydrophobicContact CB-CE1 3.97Å; E90-F111 HydrophobicContact CG-CD1 4.14Å; E90-F111 HydrophobicContact CG-CE1 4.3Å; F93-F111 HydrophobicContact CE2-CD1 4Å; F93-F111 AromaticContact CE2-CE1 3.79Å; F93-F111 HydrophobicContact CE2-CE1 3.79Å; F93-F111 AromaticContact CZ-CD1 3.87Å; F93-F111 HydrophobicContact CZ-CD1 3.87Å; F93-F111 AromaticContact CZ-CE1 3.93Å; F93-F111 HydrophobicContact CZ-CE1 3.93Å; A94-F111 HydrophobicContact CB-CE1 4.38Å; A94-F111 HydrophobicContact CB-CZ 3.94Å; F111-T113 PolarHBondContact O-N 2.78Å; F111-T113 VanDerWaalsContact O-N 3.17Å; F111-A117 HydrophobicContact CB-CB 4.33Å; F111-A117 HydrophobicContact CD1-CB 4.05Å; F111-A117 HydrophobicContact CD2-CB 3.53Å; F111-A117 HydrophobicContact CE1-CB 4.24Å; F111-A117 HydrophobicContact CE2-CB 3.72Å; F111-A117 HydrophobicContact CG-CB 3.7Å; F111-A117 HydrophobicContact CZ-CB 4.08Å; F111-A120 HydrophobicContact CE1-CB 3.63Å; F111-A120 HydrophobicContact CZ-CB 3.59Å; F111-I124 HydrophobicContact CE2-CD1 3.74Å; F111-I124 HydrophobicContact CZ-CD1 4.04Å; F111-F145 HydrophobicContact CE2-CB 4.24Å; F111-F145 AromaticContact CE2-CD1 3.8Å; F111-F145 HydrophobicContact CE2-CD1 3.8Å; F111-F145 HydrophobicContact CE2-CG 4.37Å; F111-F145 HydrophobicContact CZ-CD1 4.33Å; F111-R146 PolarHBondContact N-O 3.44Å
112	M	98.5	Very high	98.6	Very high	48 Å²	48	36.6 Å²	36.6	24%	0.236	21%	0.206	C	C	.	.	S	Bend	trans	-55.7	-38.1	-180	-173	-179.6	-64.3	0	0	111.4	E59 E60 A67 Y68 F116 P148	E59-M112 HydrophobicContact CB-CE 3.97Å; E60-M112 HydrophobicContact CG-CE 4.16Å; A67-M112 HydrophobicContact CB-CE 4.1Å; A67-M112 HydrophobicContact CB-CG 3.8Å; A67-M112 HydrophobicContact CB-SD 4.23Å; Y68-M112 HydrophobicContact CE2-CG 4.35Å; Y68-M112 WeakPolarHBondContact CE2-O 3.4Å; M112-F116 HydrophobicContact CB-CD2 3.95Å; M112-F116 HydrophobicContact CB-CE2 4.01Å; M112-F116 HydrophobicContact CG-CE2 4.3Å; M112-F116 HydrophobicContact SD-CE2 4.35Å; M112-P148 WeakPolarHBondContact O-CD 3.11Å; M112-P148 WeakPolarHBondContact O-CG 3.29Å
113	T	98.7	Very high	98.7	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	20%	0.196	C	C	.	.	S	Bend	trans	-143.8	156.3	158.7	75.2	0	0	0	0	109.6	F111 N115 F116 P148	F111-T113 PolarHBondContact O-N 2.78Å; F111-T113 VanDerWaalsContact O-N 3.17Å; T113-N115 PolarHBondContact O-N 2.89Å; T113-N115 VanDerWaalsContact O-N 3.13Å; T113-N115 WeakPolarHBondContact OG1-CB 3.48Å; T113-N115 PolarHBondContact OG1-N 3.28Å; T113-N115 PolarHBondContact OG1-ND2 3.46Å; T113-F116 HydrophobicContact CG2-CE2 4.18Å; T113-F116 HydrophobicContact CG2-CZ 4.48Å; T113-F116 WeakPolarHBondContact O-CB 3.44Å; T113-F116 PolarHBondContact O-N 3.3Å; T113-P148 WeakPolarHBondContact CA-O 3.4Å; T113-P148 HydrophobicContact CG2-CG 4.19Å
114	F	98.8	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-14.4	175.7	-92.1	-84.4	0	0	0	114.2	F116 A117 G147 P148 N149 Y163 Y167 V199 L201	F114-F116 PolarHBondContact O-N 2.84Å; F114-A117 HydrophobicContact CD1-CB 3.8Å; F114-A117 HydrophobicContact CE1-CB 4.37Å; F114-A117 WeakPolarHBondContact O-CB 3.38Å; F114-A117 PolarHBondContact O-N 2.97Å; F114-G147 WeakPolarHBondContact CD2-O 3.4Å; F114-G147 VanDerWaalsContact CE2-O 3.28Å; F114-G147 WeakPolarHBondContact CE2-O 3.38Å; F114-P148 PolarHBondContact N-O 3.29Å; F114-N149 HydrophobicContact CB-CB 4.16Å; F114-N149 HydrophobicContact CD2-CB 3.91Å; F114-N149 HydrophobicContact CG-CB 4.27Å; F114-Y163 VanDerWaalsContact C-CE2 3.47Å; F114-Y163 HydrophobicContact CB-CD2 3.72Å; F114-Y163 HydrophobicContact CB-CE2 4.28Å; F114-Y163 HydrophobicContact CB-CG 4.42Å; F114-Y163 VanDerWaalsContact O-CE2 3.32Å; F114-Y163 WeakPolarHBondContact O-CE2 3.4Å; F114-Y167 HydrophobicContact CD1-CD2 4.44Å; F114-Y167 AromaticContact CD1-CE2 3.55Å; F114-Y167 HydrophobicContact CD1-CE2 3.55Å; F114-Y167 HydrophobicContact CE1-CD2 4.47Å; F114-Y167 AromaticContact CE1-CE2 3.81Å; F114-Y167 HydrophobicContact CE1-CE2 3.81Å; F114-V199 HydrophobicContact CE1-CG1 3.51Å; F114-V199 HydrophobicContact CZ-CG1 3.56Å; F114-L201 HydrophobicContact CD1-CD2 3.73Å; F114-L201 HydrophobicContact CD2-CD2 3.68Å; F114-L201 HydrophobicContact CE1-CD2 3.65Å; F114-L201 HydrophobicContact CE2-CD2 3.59Å; F114-L201 HydrophobicContact CG-CD2 3.74Å; F114-L201 HydrophobicContact CZ-CD2 3.58Å
115	N	98.8	Very high	98.8	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-38.3	169.1	-52.4	-83.9	0	0	0	111.5	T113 M118 Q158 H159 S160 Q161 Y163	T113-N115 PolarHBondContact O-N 2.89Å; T113-N115 VanDerWaalsContact O-N 3.13Å; T113-N115 WeakPolarHBondContact OG1-CB 3.48Å; T113-N115 PolarHBondContact OG1-N 3.28Å; T113-N115 PolarHBondContact OG1-ND2 3.46Å; N115-M118 WeakPolarHBondContact O-CB 3.27Å; N115-M118 PolarHBondContact O-N 3.16Å; N115-Q158 VanDerWaalsContact CB-O 3.32Å; N115-Q158 WeakPolarHBondContact CB-O 3.39Å; N115-H159 WeakPolarHBondContact ND2-CA 3.38Å; N115-H159 PolarHBondContact ND2-O 2.77Å; N115-H159 VanDerWaalsContact ND2-O 3.13Å; N115-S160 PolarHBondContact OD1-N 3.33Å; N115-Q161 WeakPolarHBondContact OD1-CB 3.46Å; N115-Q161 PolarHBondContact OD1-N 2.79Å; N115-Y163 WeakPolarHBondContact CA-OH 3.42Å; N115-Y163 HydrophobicContact CB-CE2 4.43Å
116	F	98.7	Very high	98.8	Very high	47 Å²	47	29.6 Å²	29.6	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-79.8	-24	-178	-50.7	-26.1	0	0	0	112	E90 M112 T113 F114 M118 Q119 H159	E90-F116 HydrophobicContact CG-CB 4.16Å; E90-F116 WeakPolarHBondContact OE1-CB 3.36Å; M112-F116 HydrophobicContact CB-CD2 3.95Å; M112-F116 HydrophobicContact CB-CE2 4.01Å; M112-F116 HydrophobicContact CG-CE2 4.3Å; M112-F116 HydrophobicContact SD-CE2 4.35Å; T113-F116 HydrophobicContact CG2-CE2 4.18Å; T113-F116 HydrophobicContact CG2-CZ 4.48Å; T113-F116 WeakPolarHBondContact O-CB 3.44Å; T113-F116 PolarHBondContact O-N 3.3Å; F114-F116 PolarHBondContact O-N 2.84Å; F116-M118 PolarHBondContact O-N 3.45Å; F116-M118 VanDerWaalsContact O-N 3.09Å; F116-Q119 WeakPolarHBondContact O-CB 3.24Å; F116-Q119 PolarHBondContact O-N 3.06Å; F116-H159 AromaticContact CE1-CD2 3.82Å; F116-H159 AromaticContact CE1-NE2 3.84Å; F116-H159 AromaticContact CZ-CD2 3.64Å; F116-H159 AromaticContact CZ-NE2 3.75Å
117	A	98.7	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-19.6	172.4	0	0	0	0	0	112.9	F111 F114 Q119 A120 I121 I124 Y167	F111-A117 HydrophobicContact CB-CB 4.33Å; F111-A117 HydrophobicContact CD1-CB 4.05Å; F111-A117 HydrophobicContact CD2-CB 3.53Å; F111-A117 HydrophobicContact CE1-CB 4.24Å; F111-A117 HydrophobicContact CE2-CB 3.72Å; F111-A117 HydrophobicContact CG-CB 3.7Å; F111-A117 HydrophobicContact CZ-CB 4.08Å; F114-A117 HydrophobicContact CD1-CB 3.8Å; F114-A117 HydrophobicContact CE1-CB 4.37Å; F114-A117 WeakPolarHBondContact O-CB 3.38Å; F114-A117 PolarHBondContact O-N 2.97Å; A117-Q119 PolarHBondContact O-N 3.43Å; A117-A120 CarbonylContact O-C 3.57Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 PolarHBondContact O-N 3.24Å; A117-I121 PolarHBondContact O-N 3.4Å; A117-I124 HydrophobicContact CB-CD1 4.33Å; A117-Y167 WeakPolarHBondContact CB-OH 3.3Å
118	M	98.6	Very high	98.8	Very high	81 Å²	81	28.5 Å²	28.5	40%	0.399	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-55.9	-35.4	169.9	-75.6	-161.7	-65.3	0	0	112.8	N115 F116 A120 I121 Y163 W166	N115-M118 WeakPolarHBondContact O-CB 3.27Å; N115-M118 PolarHBondContact O-N 3.16Å; F116-M118 PolarHBondContact O-N 3.45Å; F116-M118 VanDerWaalsContact O-N 3.09Å; M118-A120 PolarHBondContact O-N 3.01Å; M118-I121 WeakPolarHBondContact O-CG2 3.48Å; M118-Y163 WeakPolarHBondContact CE-OH 3.49Å; M118-Y163 HydrophobicContact CG-CD1 4.45Å; M118-Y163 HydrophobicContact CG-CE1 3.36Å; M118-Y163 WeakPolarHBondContact CG-OH 3.41Å; M118-Y163 HydrophobicContact SD-CE1 3.79Å; M118-Y163 PolarHBondContact SD-OH 2.84Å; M118-W166 HydrophobicContact CG-CZ3 4.29Å; M118-W166 HydrophobicContact SD-CH2 4.2Å; M118-W166 HydrophobicContact SD-CZ3 4.2Å
119	Q	98.8	Very high	98.8	Very high	114 Å²	114	28.6 Å²	28.6	53%	0.533	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-64.2	-26.3	175.7	-64.5	-166.2	51.6	0	0	112.1	E90 M91 F116 A117	E90-Q119 HydrophobicContact CB-CB 3.96Å; E90-Q119 PolarHBondContact OE1-NE2 3.37Å; E90-Q119 VanDerWaalsContact OE1-NE2 3.1Å; E90-Q119 PolarHBondContact OE2-NE2 2.74Å; E90-Q119 PolarHBondContact OE2-OE1 3.41Å; M91-Q119 WeakPolarHBondContact CE-O 3.29Å; F116-Q119 WeakPolarHBondContact O-CB 3.24Å; F116-Q119 PolarHBondContact O-N 3.06Å; A117-Q119 PolarHBondContact O-N 3.43Å
120	A	98.8	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-110.4	4	-174.2	0	0	0	0	0	114.2	E90 A94 F111 A117 M118 D122 Q123 I124	E90-A120 HydrophobicContact CB-CB 4.13Å; E90-A120 WeakPolarHBondContact O-CB 3.44Å; A94-A120 HydrophobicContact CB-CB 3.69Å; F111-A120 HydrophobicContact CE1-CB 3.63Å; F111-A120 HydrophobicContact CZ-CB 3.59Å; A117-A120 CarbonylContact O-C 3.57Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 PolarHBondContact O-N 3.24Å; M118-A120 PolarHBondContact O-N 3.01Å; A120-D122 PolarHBondContact O-N 2.86Å; A120-D122 VanDerWaalsContact O-N 3.08Å; A120-Q123 WeakPolarHBondContact O-CB 3.29Å; A120-Q123 PolarHBondContact O-N 2.84Å; A120-I124 PolarHBondContact O-N 3.24Å
121	I	98.8	Very high	98.7	Very high	48 Å²	48	33.3 Å²	33.3	25%	0.246	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-28.3	-170.6	-164.4	166.1	0	0	0	112.7	A117 M118 Q123 I124 I125 W166 Y167	A117-I121 PolarHBondContact O-N 3.4Å; M118-I121 WeakPolarHBondContact O-CG2 3.48Å; I121-Q123 PolarHBondContact O-N 3.47Å; I121-I124 PolarHBondContact O-N 2.83Å; I121-I125 HydrophobicContact CG1-CG1 3.87Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 2.87Å; I121-W166 HydrophobicContact CD1-CE3 3.76Å; I121-W166 HydrophobicContact CD1-CZ3 4.13Å; I121-Y167 HydrophobicContact CD1-CE1 4.18Å; I121-Y167 HydrophobicContact CG1-CE1 4.06Å
122	D	98.9	Very high	98.7	Very high	75 Å²	75	34.6 Å²	34.6	40%	0.401	18%	0.179	S	C	.	.	H	α-helix	trans	-61.2	-41.6	174.1	-173	68.9	0	0	0	112.3	M91 A120 I125 N126 S127	M91-D122 HydrophobicContact CE-CB 3.85Å; M91-D122 HydrophobicContact SD-CB 4.37Å; A120-D122 PolarHBondContact O-N 2.86Å; A120-D122 VanDerWaalsContact O-N 3.08Å; D122-I125 PolarHBondContact O-N 2.7Å; D122-N126 WeakPolarHBondContact O-CA 3.34Å; D122-N126 WeakPolarHBondContact O-CB 3.42Å; D122-N126 PolarHBondContact O-N 3.31Å; D122-N126 PolarHBondContact OD1-ND2 3.19Å; D122-S127 PolarHBondContact O-N 2.87Å
123	Q	98.9	Very high	98.7	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.192	21%	0.207	C	C	.	.	I	π-helix	trans	-67	-40.7	175.5	-66	-71.2	3.1	0	0	111.6	M91 A94 A120 I121 S127 A128	M91-Q123 HydrophobicContact SD-CG 3.57Å; M91-Q123 VanDerWaalsContact SD-CG 3.57Å; A94-Q123 HydrophobicContact CB-CB 4.12Å; A94-Q123 HydrophobicContact CB-CG 4.47Å; A120-Q123 WeakPolarHBondContact O-CB 3.29Å; A120-Q123 PolarHBondContact O-N 2.84Å; I121-Q123 PolarHBondContact O-N 3.47Å; Q123-S127 WeakPolarHBondContact O-CB 3.32Å; Q123-S127 PolarHBondContact O-N 2.96Å; Q123-S127 PolarHBondContact OE1-OG 2.92Å; Q123-A128 PolarHBondContact O-N 3.32Å
124	I	98.9	Very high	98.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-64	-43	179	-57.3	172.2	0	0	0	110.4	F111 A117 A120 I121 A128 A129 F145 Y167 L173 V199	F111-I124 HydrophobicContact CE2-CD1 3.74Å; F111-I124 HydrophobicContact CZ-CD1 4.04Å; A117-I124 HydrophobicContact CB-CD1 4.33Å; A120-I124 PolarHBondContact O-N 3.24Å; I121-I124 PolarHBondContact O-N 2.83Å; I124-A128 WeakPolarHBondContact O-CB 3.45Å; I124-A129 PolarHBondContact O-N 3.46Å; I124-A129 VanDerWaalsContact O-N 3.1Å; I124-F145 HydrophobicContact CB-CE2 4.23Å; I124-F145 HydrophobicContact CB-CZ 4.43Å; I124-F145 HydrophobicContact CD1-CD1 4.45Å; I124-F145 HydrophobicContact CD1-CG 4.42Å; I124-F145 HydrophobicContact CG1-CD1 4.07Å; I124-F145 HydrophobicContact CG1-CD2 4.17Å; I124-F145 HydrophobicContact CG1-CE1 3.96Å; I124-F145 HydrophobicContact CG1-CE2 4.04Å; I124-F145 HydrophobicContact CG1-CG 4.17Å; I124-F145 HydrophobicContact CG1-CZ 3.93Å; I124-F145 HydrophobicContact CG2-CD2 3.92Å; I124-F145 HydrophobicContact CG2-CE2 3.92Å; I124-Y167 HydrophobicContact CB-CE1 4.4Å; I124-Y167 HydrophobicContact CD1-CE1 3.88Å; I124-Y167 WeakPolarHBondContact CD1-OH 3.26Å; I124-Y167 HydrophobicContact CG2-CD1 4.19Å; I124-Y167 HydrophobicContact CG2-CE1 3.84Å; I124-L173 HydrophobicContact CG2-CD1 4.16Å; I124-L173 HydrophobicContact CG2-CD2 4.21Å; I124-V199 HydrophobicContact CG2-CG2 4.18Å
125	I	98.8	Very high	98.6	Very high	20 Å²	20	49.3 Å²	49.3	10%	0.103	24%	0.243	C	C	.	.	I	π-helix	trans	-89.5	-59.6	-173.9	-59.3	-56.5	0	0	0	112.4	I121 D122 A129 K130 Y167 C170 L173	I121-I125 HydrophobicContact CG1-CG1 3.87Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 2.87Å; D122-I125 PolarHBondContact O-N 2.7Å; I125-A129 WeakPolarHBondContact O-CB 3.48Å; I125-A129 PolarHBondContact O-N 3.21Å; I125-K130 WeakPolarHBondContact O-CG 3.21Å; I125-K130 PolarHBondContact O-N 3.08Å; I125-Y167 HydrophobicContact CD1-CD1 4.42Å; I125-C170 HydrophobicContact CD1-CB 3.61Å; I125-C170 WeakPolarHBondContact CD1-SG 3.33Å; I125-L173 HydrophobicContact CD1-CD1 3.66Å; I125-L173 HydrophobicContact CD1-CG 4.41Å
126	N	98.8	Very high	98.5	Very high	67 Å²	67	53.2 Å²	53.2	36%	0.358	28%	0.277	S	S	.	.	I	π-helix	trans	-80.5	-38.7	-170	-72.3	-32.6	0	0	0	112.2	D122 K130	D122-N126 WeakPolarHBondContact O-CA 3.34Å; D122-N126 WeakPolarHBondContact O-CB 3.42Å; D122-N126 PolarHBondContact O-N 3.31Å; D122-N126 PolarHBondContact OD1-ND2 3.19Å; N126-K130 PolarHBondContact OD1-NZ 3.36Å
127	S	98.8	Very high	98.3	Very high	33 Å²	33	53.9 Å²	53.9	23%	0.231	30%	0.297	C	S	.	.	I	π-helix	trans	-85.7	-37.1	179.5	-51.4	0	0	0	0	113	M102 D122 Q123 S131	M102-S127 WeakPolarHBondContact CE-O 3.34Å; D122-S127 PolarHBondContact O-N 2.87Å; Q123-S127 WeakPolarHBondContact O-CB 3.32Å; Q123-S127 PolarHBondContact O-N 2.96Å; Q123-S127 PolarHBondContact OE1-OG 2.92Å; S127-S131 WeakPolarHBondContact O-CB 3.49Å; S127-S131 PolarHBondContact O-OG 3.3Å
128	A	98.8	Very high	98.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.008	34%	0.336	C	S	.	.	I	π-helix	trans	-93.4	-71.8	-178.9	0	0	0	0	0	112.2	V98 Q123 I124 K130 S131 V141 V143 F145 P197	V98-A128 HydrophobicContact CG1-CB 4.33Å; V98-A128 HydrophobicContact CG2-CB 3.86Å; Q123-A128 PolarHBondContact O-N 3.32Å; I124-A128 WeakPolarHBondContact O-CB 3.45Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.29Å; A128-K130 VanDerWaalsContact O-N 3.15Å; A128-S131 PolarHBondContact O-N 2.82Å; A128-S131 VanDerWaalsContact O-N 3.13Å; A128-V141 HydrophobicContact CB-CG1 4.01Å; A128-V143 HydrophobicContact CB-CG1 4.22Å; A128-F145 HydrophobicContact CB-CE2 4.2Å; A128-F145 HydrophobicContact CB-CZ 4.38Å; A128-P197 HydrophobicContact CB-CB 3.94Å; A128-P197 HydrophobicContact CB-CG 3.61Å
129	A	98.8	Very high	98	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	33%	0.332	C	S	.	.	I	π-helix	trans	-54.4	-42.5	-167.6	0	0	0	0	0	113.9	I124 I125 G172 L173	I124-A129 PolarHBondContact O-N 3.46Å; I124-A129 VanDerWaalsContact O-N 3.1Å; I125-A129 WeakPolarHBondContact O-CB 3.48Å; I125-A129 PolarHBondContact O-N 3.21Å; A129-G172 VanDerWaalsContact O-CA 3.31Å; A129-G172 WeakPolarHBondContact O-CA 3.5Å; A129-L173 HydrophobicContact CB-CD2 3.54Å; A129-L173 HydrophobicContact CB-CG 3.63Å
130	K	98.7	Very high	97.9	Very high	85 Å²	85	57 Å²	57	37%	0.37	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.6	-173.8	-64.9	175.4	-172.7	169.9	0	113.9	I125 N126 A128 A132 Y133 M134	I125-K130 WeakPolarHBondContact O-CG 3.21Å; I125-K130 PolarHBondContact O-N 3.08Å; N126-K130 PolarHBondContact OD1-NZ 3.36Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.29Å; A128-K130 VanDerWaalsContact O-N 3.15Å; K130-A132 PolarHBondContact O-N 2.94Å; K130-Y133 PolarHBondContact O-N 3.03Å; K130-M134 HydrophobicContact CB-CE 3.81Å; K130-M134 HydrophobicContact CB-CG 4.43Å; K130-M134 HydrophobicContact CB-SD 4.29Å; K130-M134 WeakPolarHBondContact O-CG 3.46Å; K130-M134 PolarHBondContact O-N 3.14Å
131	S	98.4	Very high	97.9	Very high	17 Å²	17	57.1 Å²	57.1	12%	0.119	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-41.8	-168.4	-80.8	0	0	0	0	113.9	M102 S127 A128 Y133 M134 S135	M102-S131 WeakPolarHBondContact CE-OG 3.48Å; S127-S131 WeakPolarHBondContact O-CB 3.49Å; S127-S131 PolarHBondContact O-OG 3.3Å; A128-S131 PolarHBondContact O-N 2.82Å; A128-S131 VanDerWaalsContact O-N 3.13Å; S131-Y133 VanDerWaalsContact C-N 3.31Å; S131-Y133 PolarHBondContact O-N 3.44Å; S131-M134 PolarHBondContact O-N 2.77Å; S131-S135 VanDerWaalsContact O-CB 3.23Å; S131-S135 WeakPolarHBondContact O-CB 3.37Å; S131-S135 PolarHBondContact O-N 2.65Å; S131-S135 PolarHBondContact O-OG 3.43Å
132	A	97.5	Very high	97.9	Very high	27 Å²	27	55.7 Å²	55.7	22%	0.223	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-42.1	177.1	0	0	0	0	0	111.6	K130 S135 A136 G137 V139	K130-A132 PolarHBondContact O-N 2.94Å; A132-S135 PolarHBondContact O-OG 3.48Å; A132-A136 PolarHBondContact O-N 3.18Å; A132-G137 PolarHBondContact O-N 2.88Å; A132-V139 VanDerWaalsContact CA-O 3.24Å; A132-V139 WeakPolarHBondContact CA-O 3.46Å; A132-V139 PolarHBondContact N-O 3.39Å
133	Y	98.3	Very high	97.9	Very high	212 Å²	212	52.2 Å²	52.2	83%	0.831	30%	0.3	S	S	*	.	H	α-helix	trans	-67.9	-49.3	177.4	-173	-91	0	0	0	112.1	K130 S131 S135 A136	K130-Y133 PolarHBondContact O-N 3.03Å; S131-Y133 VanDerWaalsContact C-N 3.31Å; S131-Y133 PolarHBondContact O-N 3.44Å; Y133-S135 VanDerWaalsContact C-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.11Å; Y133-A136 PolarHBondContact O-N 2.83Å; Y133-A136 VanDerWaalsContact O-N 3.11Å
134	M	98.4	Very high	97.9	Very high	128 Å²	128	50.4 Å²	50.4	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-31.9	-178.3	-69.4	-171.7	-58.8	0	0	113	K130 S131 A136	K130-M134 HydrophobicContact CB-CE 3.81Å; K130-M134 HydrophobicContact CB-CG 4.43Å; K130-M134 HydrophobicContact CB-SD 4.29Å; K130-M134 WeakPolarHBondContact O-CG 3.46Å; K130-M134 PolarHBondContact O-N 3.14Å; S131-M134 PolarHBondContact O-N 2.77Å; M134-A136 VanDerWaalsContact C-N 3.31Å
135	S	97.8	Very high	97.9	Very high	28 Å²	28	50.4 Å²	50.4	20%	0.196	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5.7	177.4	68.4	0	0	0	0	113.7	S131 A132 Y133 G137 L138 V139	S131-S135 VanDerWaalsContact O-CB 3.23Å; S131-S135 WeakPolarHBondContact O-CB 3.37Å; S131-S135 PolarHBondContact O-N 2.65Å; S131-S135 PolarHBondContact O-OG 3.43Å; A132-S135 PolarHBondContact O-OG 3.48Å; Y133-S135 VanDerWaalsContact C-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.11Å; S135-G137 PolarHBondContact O-N 3.29Å; S135-L138 VanDerWaalsContact O-CB 3.31Å; S135-L138 WeakPolarHBondContact O-CB 3.47Å; S135-L138 VanDerWaalsContact O-CG 3.26Å; S135-L138 WeakPolarHBondContact O-CG 3.23Å; S135-L138 PolarHBondContact O-N 3.11Å; S135-L138 VanDerWaalsContact O-N 3.14Å; S135-L138 PolarHBondContact OG-N 3.34Å; S135-V139 WeakPolarHBondContact OG-CB 3.41Å; S135-V139 PolarHBondContact OG-N 3.01Å
136	A	97	Very high	97.9	Very high	91 Å²	91	49.5 Å²	49.5	75%	0.752	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.5	-174.9	0	0	0	0	0	113.4	A132 Y133 M134	A132-A136 PolarHBondContact O-N 3.18Å; Y133-A136 PolarHBondContact O-N 2.83Å; Y133-A136 VanDerWaalsContact O-N 3.11Å; M134-A136 VanDerWaalsContact C-N 3.31Å
137	G	94	Very high	97.9	Very high	61 Å²	61	46.3 Å²	46.3	63%	0.629	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	4.1	179	0	0	0	0	0	115.1	A132 S135	A132-G137 PolarHBondContact O-N 2.88Å; S135-G137 PolarHBondContact O-N 3.29Å
138	L	96	Very high	97.9	Very high	155 Å²	155	45 Å²	45	81%	0.812	26%	0.262	S	S	*	.	S	Bend	trans	-75.9	-28.2	179.5	-65.9	173.7	0	0	0	113.3	S135	S135-L138 VanDerWaalsContact O-CB 3.31Å; S135-L138 WeakPolarHBondContact O-CB 3.47Å; S135-L138 VanDerWaalsContact O-CG 3.26Å; S135-L138 WeakPolarHBondContact O-CG 3.23Å; S135-L138 PolarHBondContact O-N 3.11Å; S135-L138 VanDerWaalsContact O-N 3.14Å; S135-L138 PolarHBondContact OG-N 3.34Å
139	V	95.9	Very high	97.9	Very high	51 Å²	51	45.3 Å²	45.3	31%	0.309	26%	0.263	S	S	.	.			trans	-117.2	105.7	-179.8	-177.7	0	0	0	0	109.2	M102 A132 S135 V141	M102-V139 HydrophobicContact CB-CG1 4.32Å; M102-V139 HydrophobicContact CE-CG1 4.19Å; M102-V139 HydrophobicContact CG-CG1 3.74Å; M102-V139 HydrophobicContact SD-CG1 4.19Å; A132-V139 VanDerWaalsContact CA-O 3.24Å; A132-V139 WeakPolarHBondContact CA-O 3.46Å; A132-V139 PolarHBondContact N-O 3.39Å; S135-V139 WeakPolarHBondContact OG-CB 3.41Å; S135-V139 PolarHBondContact OG-N 3.01Å; V139-V141 HydrophobicContact CG1-CG2 4.25Å
140	S	95.3	Very high	97.8	Very high	55 Å²	55	45.6 Å²	45.6	39%	0.385	27%	0.266	S	S	.	.			trans	-87.1	147.3	167.2	160.1	0	0	0	0	109.3	P195	S140-P195 PolarHBondContact OG-O 2.92Å
141	V	98.5	Very high	97.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	25%	0.25	C	S	.	.			trans	-130.4	76.8	-178.4	-167.8	0	0	0	0	108.9	V98 A101 M102 A128 V139 V143 P195 D196 P197	V98-V141 HydrophobicContact CG1-CG1 3.99Å; A101-V141 HydrophobicContact CB-CG1 3.84Å; M102-V141 HydrophobicContact CE-CG2 3.76Å; M102-V141 HydrophobicContact CG-CG2 3.94Å; A128-V141 HydrophobicContact CB-CG1 4.01Å; V139-V141 HydrophobicContact CG1-CG2 4.25Å; V141-V143 VanDerWaalsContact C-N 3.29Å; V141-V143 HydrophobicContact CG1-CG1 3.83Å; V141-V143 PolarHBondContact O-N 3.38Å; V141-P195 CarbonylContact C-O 3.48Å; V141-D196 CarbonylContact O-C 3.56Å; V141-P197 HydrophobicContact CB-CG 3.97Å; V141-P197 HydrophobicContact CG1-CG 4.29Å; V141-P197 VanDerWaalsContact O-CD 3.31Å; V141-P197 WeakPolarHBondContact O-CD 3.32Å; V141-P197 WeakPolarHBondContact O-CG 3.32Å
142	P	98.6	Very high	97.1	Very high	19 Å²	19	42 Å²	42	12%	0.123	25%	0.251	C	S	.	.			trans	-76.6	76.8	-178.4	32.9	-37	0	0	0	111.1	A101 K106 P107	A101-P142 HydrophobicContact CB-CG 4.44Å; K106-P142 WeakPolarHBondContact CA-O 3.42Å; K106-P142 HydrophobicContact CG-CB 4.3Å; K106-P142 HydrophobicContact CG-CG 4.27Å; P107-P142 WeakPolarHBondContact CD-O 3.21Å
143	V	98.9	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	27%	0.268	C	S	.	.			trans	-122.6	137.1	-179.3	62.5	0	0	0	0	110.8	A97 A101 P107 A128 V141 F145 P197 V198	A97-V143 HydrophobicContact CB-CG2 4.23Å; A101-V143 HydrophobicContact CB-CB 4.06Å; P107-V143 HydrophobicContact CB-CG2 4.44Å; P107-V143 HydrophobicContact CG-CB 4.25Å; P107-V143 HydrophobicContact CG-CG2 3.95Å; A128-V143 HydrophobicContact CB-CG1 4.22Å; V141-V143 VanDerWaalsContact C-N 3.29Å; V141-V143 HydrophobicContact CG1-CG1 3.83Å; V141-V143 PolarHBondContact O-N 3.38Å; V143-F145 HydrophobicContact CB-CE2 4.5Å; V143-F145 HydrophobicContact CB-CZ 4.49Å; V143-F145 HydrophobicContact CG1-CD2 4.33Å; V143-F145 HydrophobicContact CG1-CE2 3.53Å; V143-F145 HydrophobicContact CG1-CZ 3.75Å; V143-F145 HydrophobicContact CG2-CD1 4.48Å; V143-F145 HydrophobicContact CG2-CE1 4.01Å; V143-F145 HydrophobicContact CG2-CE2 4.14Å; V143-F145 HydrophobicContact CG2-CZ 3.83Å; V143-P197 HydrophobicContact CG1-CB 3.92Å; V143-P197 HydrophobicContact CG1-CG 4.24Å; V143-P197 WeakPolarHBondContact O-CA 3.42Å; V143-V198 PolarHBondContact O-N 3.38Å
144	V	99	Very high	96.7	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.9	171.3	-178.9	0	0	0	0	109	P107 I108 C109 R146 L188 A191 I192 V198 H200	P107-V144 PolarHBondContact O-N 2.94Å; I108-V144 CarbonylContact C-O 3.59Å; I108-V144 WeakPolarHBondContact CA-O 3.48Å; C109-V144 PolarHBondContact N-O 3.12Å; V144-R146 HydrophobicContact CG1-CB 4.35Å; V144-L188 HydrophobicContact CG1-CD1 4.12Å; V144-A191 HydrophobicContact CG1-CB 4.26Å; V144-A191 VanDerWaalsContact CG2-C 3.47Å; V144-A191 HydrophobicContact CG2-CB 3.86Å; V144-A191 WeakPolarHBondContact CG2-O 3.38Å; V144-I192 HydrophobicContact CG2-CG1 4.03Å; V144-V198 CarbonylContact C-O 3.43Å; V144-V198 WeakPolarHBondContact CA-O 3.31Å; V144-H200 HydrophobicContact CG1-CB 4.27Å
145	F	98.9	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	167.9	-58.3	-76.2	0	0	0	108.5	A94 V98 C109 F111 I124 A128 V143 V198 V199 H200	A94-F145 HydrophobicContact CB-CE1 4.39Å; V98-F145 HydrophobicContact CG2-CE1 4.47Å; V98-F145 HydrophobicContact CG2-CZ 3.76Å; C109-F145 HydrophobicContact CB-CD1 3.71Å; C109-F145 HydrophobicContact CB-CE1 4.05Å; C109-F145 WeakPolarHBondContact O-CA 3.41Å; F111-F145 HydrophobicContact CE2-CB 4.24Å; F111-F145 AromaticContact CE2-CD1 3.8Å; F111-F145 HydrophobicContact CE2-CD1 3.8Å; F111-F145 HydrophobicContact CE2-CG 4.37Å; F111-F145 HydrophobicContact CZ-CD1 4.33Å; I124-F145 HydrophobicContact CB-CE2 4.23Å; I124-F145 HydrophobicContact CB-CZ 4.43Å; I124-F145 HydrophobicContact CD1-CD1 4.45Å; I124-F145 HydrophobicContact CD1-CG 4.42Å; I124-F145 HydrophobicContact CG1-CD1 4.07Å; I124-F145 HydrophobicContact CG1-CD2 4.17Å; I124-F145 HydrophobicContact CG1-CE1 3.96Å; I124-F145 HydrophobicContact CG1-CE2 4.04Å; I124-F145 HydrophobicContact CG1-CG 4.17Å; I124-F145 HydrophobicContact CG1-CZ 3.93Å; I124-F145 HydrophobicContact CG2-CD2 3.92Å; I124-F145 HydrophobicContact CG2-CE2 3.92Å; A128-F145 HydrophobicContact CB-CE2 4.2Å; A128-F145 HydrophobicContact CB-CZ 4.38Å; V143-F145 HydrophobicContact CB-CE2 4.5Å; V143-F145 HydrophobicContact CB-CZ 4.49Å; V143-F145 HydrophobicContact CG1-CD2 4.33Å; V143-F145 HydrophobicContact CG1-CE2 3.53Å; V143-F145 HydrophobicContact CG1-CZ 3.75Å; V143-F145 HydrophobicContact CG2-CD1 4.48Å; V143-F145 HydrophobicContact CG2-CE1 4.01Å; V143-F145 HydrophobicContact CG2-CE2 4.14Å; V143-F145 HydrophobicContact CG2-CZ 3.83Å; F145-V198 PolarHBondContact N-O 3.15Å; F145-V199 HydrophobicContact CD2-CG2 4.47Å; F145-V199 CarbonylContact O-C 3.4Å; F145-V199 WeakPolarHBondContact O-CA 3.31Å; F145-H200 PolarHBondContact O-N 2.85Å
146	R	98.9	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.9	-177.1	65.8	154.7	-66.5	-70.2	-2.4	113.1	I108 C109 E110 F111 V144 H200 E202	I108-R146 HydrophobicContact CG2-CG 3.75Å; C109-R146 PolarHBondContact O-N 3.22Å; E110-R146 WeakPolarHBondContact CA-O 3.46Å; E110-R146 VanDerWaalsContact CG-NH1 3.28Å; E110-R146 IonicContact OE2-CZ 3.59Å; E110-R146 IonicContact OE2-NH1 3.44Å; E110-R146 PolarHBondContact OE2-NH1 2.78Å; F111-R146 PolarHBondContact N-O 3.44Å; V144-R146 HydrophobicContact CG1-CB 4.35Å; R146-H200 WeakPolarHBondContact CA-O 3.4Å; R146-H200 HydrophobicContact CB-CB 3.97Å; R146-E202 IonicContact CZ-OE1 2.75Å; R146-E202 IonicContact CZ-OE2 3.34Å; R146-E202 IonicContact NE-OE1 2.76Å; R146-E202 PolarHBondContact NE-OE1 3.44Å; R146-E202 IonicContact NE-OE2 3.61Å; R146-E202 VanDerWaalsContact NH2-CD 3.31Å; R146-E202 IonicContact NH2-OE1 3.97Å; R146-E202 PolarHBondContact NH2-OE1 3.27Å; R146-E202 IonicContact NH2-OE2 3.92Å; R146-E202 PolarHBondContact NH2-OE2 3.25Å
147	G	98.7	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	170.2	-179.4	0	0	0	0	0	111.9	F114 E202	F114-G147 WeakPolarHBondContact CD2-O 3.4Å; F114-G147 VanDerWaalsContact CE2-O 3.28Å; F114-G147 WeakPolarHBondContact CE2-O 3.38Å; G147-E202 WeakPolarHBondContact O-CB 3.36Å; G147-E202 PolarHBondContact O-N 3.24Å
148	P	98.7	Very high	96.9	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	139.9	176.1	28.9	-31	0	0	0	111.2	Y68 M112 T113 F114 E202 E204 Y207	Y68-P148 HydrophobicContact CD2-CG 4.08Å; Y68-P148 HydrophobicContact CE2-CG 3.77Å; M112-P148 WeakPolarHBondContact O-CD 3.11Å; M112-P148 WeakPolarHBondContact O-CG 3.29Å; T113-P148 WeakPolarHBondContact CA-O 3.4Å; T113-P148 HydrophobicContact CG2-CG 4.19Å; F114-P148 PolarHBondContact N-O 3.29Å; P148-E202 CarbonylContact C-O 3.53Å; P148-E204 HydrophobicContact CB-CB 3.9Å; P148-Y207 HydrophobicContact CB-CE2 4.11Å; P148-Y207 WeakPolarHBondContact CD-OH 3.37Å; P148-Y207 HydrophobicContact CG-CE2 4.39Å
149	N	98.8	Very high	97	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	19%	0.193	C	C	.	.			trans	-131.3	148.7	-176.8	170.9	72.4	0	0	0	110.5	F114 D162 Y163 L201 E202	F114-N149 HydrophobicContact CB-CB 4.16Å; F114-N149 HydrophobicContact CD2-CB 3.91Å; F114-N149 HydrophobicContact CG-CB 4.27Å; N149-D162 PolarHBondContact ND2-OD1 3.27Å; N149-Y163 PolarHBondContact OD1-N 2.86Å; N149-L201 HydrophobicContact CB-CB 3.82Å; N149-L201 HydrophobicContact CB-CD2 3.94Å; N149-L201 HydrophobicContact CB-CG 4.41Å; N149-E202 WeakPolarHBondContact CB-O 3.45Å; N149-E202 PolarHBondContact N-O 2.68Å
150	G	96.8	Very high	97.1	Very high	8 Å²	8	28.4 Å²	28.4	8%	0.082	18%	0.183	C	C	.	.	S	Bend	trans	76.8	-144.6	177.5	0	0	0	0	0	112.8	S160 Q161	G150-S160 CarbonylContact C-O 3.47Å; G150-S160 CarbonylContact O-C 3.59Å; G150-S160 WeakPolarHBondContact O-CA 3.19Å; G150-Q161 WeakPolarHBondContact CA-O 3.35Å; G150-Q161 PolarHBondContact N-O 3.11Å
151	C	89.4	Confident	97.3	Very high	7 Å²	7	26.9 Å²	26.9	5%	0.047	17%	0.17	C	C	.	.			trans	-76.2	151.8	-167.6	59.4	0	0	0	0	115	L245 Y344	C151-L245 WeakPolarHBondContact SG-CD1 3.44Å; C151-Y344 HydrophobicContact CB-CD1 4.09Å; C151-Y344 HydrophobicContact CB-CD2 4.36Å; C151-Y344 HydrophobicContact CB-CE1 3.3Å; C151-Y344 HydrophobicContact CB-CE2 3.63Å; C151-Y344 WeakPolarHBondContact CB-OH 3.32Å
152	S	93.2	Very high	97.3	Very high	20 Å²	20	27.9 Å²	27.9	14%	0.14	18%	0.175	C	C	.	.			trans	-137.3	-160.9	166.8	-178.2	0	0	0	0	108.1	E204	S152-E204 WeakPolarHBondContact CB-OE2 3.06Å; S152-E204 PolarHBondContact OG-OE2 3.39Å
153	A	94.2	Very high	97.3	Very high	69 Å²	69	27 Å²	27	57%	0.57	17%	0.169	S	C	*	.	S	Bend	trans	-112.7	111.3	-178.1	0	0	0	0	0	111.4	V155 L205	A153-V155 PolarHBondContact O-N 2.97Å; A153-L205 HydrophobicContact CB-CD2 4.48Å
154	G	94.3	Very high	97.3	Very high	29 Å²	29	26.9 Å²	26.9	30%	0.299	17%	0.168	S	C	.	.	S	Bend	trans	74.5	20	173	0	0	0	0	0	115.2	Y335 E340	G154-Y335 WeakPolarHBondContact O-CD2 3.33Å; G154-Y335 WeakPolarHBondContact O-CE2 3.38Å; G154-E340 WeakPolarHBondContact CA-OE1 3.43Å; G154-E340 PolarHBondContact N-OE1 3.41Å; G154-E340 PolarHBondContact N-OE2 2.72Å
155	V	97.1	Very high	97.3	Very high	46 Å²	46	27.9 Å²	27.9	28%	0.279	18%	0.177	S	C	.	.			trans	-93.1	-4	-176.3	-56.4	0	0	0	0	114	A153 H159 S160	A153-V155 PolarHBondContact O-N 2.97Å; V155-H159 HydrophobicContact CB-CB 3.63Å; V155-H159 HydrophobicContact CG2-CB 3.56Å; V155-H159 WeakPolarHBondContact CG2-O 3.48Å; V155-H159 WeakPolarHBondContact O-CB 3.42Å; V155-H159 PolarHBondContact O-ND1 3.39Å; V155-S160 WeakPolarHBondContact CG2-OG 3.28Å
156	A	97.7	Very high	97.3	Very high	30 Å²	30	33.6 Å²	33.6	25%	0.248	20%	0.199	C	C	.	.			trans	58.4	-168	175.2	0	0	0	0	0	114.5	Q158 H159 S160 M333	A156-Q158 PolarHBondContact O-N 2.92Å; A156-H159 PolarHBondContact O-N 2.65Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-OG 3.13Å; A156-M333 CarbonylContact C-O 3.56Å
157	A	98.1	Very high	97.2	Very high	41 Å²	41	33.6 Å²	33.6	34%	0.339	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.2	-40.4	-161.2	0	0	0	0	0	115.9	H159 P332 M333	A157-H159 VanDerWaalsContact C-N 3.29Å; A157-H159 PolarHBondContact O-N 3.37Å; A157-P332 HydrophobicContact CB-CB 3.7Å; A157-M333 WeakPolarHBondContact CA-O 3.3Å; A157-M333 PolarHBondContact N-O 3.11Å
158	Q	98.3	Very high	97.2	Very high	161 Å²	161	34.2 Å²	34.2	75%	0.752	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-84.6	1	-173.7	-68.1	179	-35	0	0	114.2	N115 A156	N115-Q158 VanDerWaalsContact CB-O 3.32Å; N115-Q158 WeakPolarHBondContact CB-O 3.39Å; A156-Q158 PolarHBondContact O-N 2.92Å
159	H	98.4	Very high	97.2	Very high	79 Å²	79	37.9 Å²	37.9	37%	0.366	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-128	8.1	-176.4	-61.3	88	0	0	0	113.3	N115 F116 V155 A156 A157	N115-H159 WeakPolarHBondContact ND2-CA 3.38Å; N115-H159 PolarHBondContact ND2-O 2.77Å; N115-H159 VanDerWaalsContact ND2-O 3.13Å; F116-H159 AromaticContact CE1-CD2 3.82Å; F116-H159 AromaticContact CE1-NE2 3.84Å; F116-H159 AromaticContact CZ-CD2 3.64Å; F116-H159 AromaticContact CZ-NE2 3.75Å; V155-H159 HydrophobicContact CB-CB 3.63Å; V155-H159 HydrophobicContact CG2-CB 3.56Å; V155-H159 WeakPolarHBondContact CG2-O 3.48Å; V155-H159 WeakPolarHBondContact O-CB 3.42Å; V155-H159 PolarHBondContact O-ND1 3.39Å; A156-H159 PolarHBondContact O-N 2.65Å; A157-H159 VanDerWaalsContact C-N 3.29Å; A157-H159 PolarHBondContact O-N 3.37Å
160	S	98.4	Very high	97.2	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	24%	0.236	C	C	.	.			trans	-121.6	8	-170	-56.6	0	0	0	0	114.5	N115 G150 V155 A156 M333	N115-S160 PolarHBondContact OD1-N 3.33Å; G150-S160 CarbonylContact C-O 3.47Å; G150-S160 CarbonylContact O-C 3.59Å; G150-S160 WeakPolarHBondContact O-CA 3.19Å; V155-S160 WeakPolarHBondContact CG2-OG 3.28Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-OG 3.13Å; S160-M333 VanDerWaalsContact CB-CB 3.5Å; S160-M333 WeakPolarHBondContact OG-CG 3.44Å
161	Q	98.5	Very high	97.3	Very high	24 Å²	24	42.7 Å²	42.7	11%	0.112	26%	0.26	C	S	.	.			trans	-79.8	133.7	-172.5	-177.3	173	-29.6	0	0	111.5	N115 G150 Y163 W297	N115-Q161 WeakPolarHBondContact OD1-CB 3.46Å; N115-Q161 PolarHBondContact OD1-N 2.79Å; G150-Q161 WeakPolarHBondContact CA-O 3.35Å; G150-Q161 PolarHBondContact N-O 3.11Å; Q161-Y163 HydrophobicContact CB-CD2 4.42Å; Q161-Y163 HydrophobicContact CB-CE2 3.64Å; Q161-Y163 VanDerWaalsContact CD-CZ 3.41Å; Q161-Y163 VanDerWaalsContact CD-OH 3.23Å; Q161-Y163 HydrophobicContact CG-CD2 4.23Å; Q161-Y163 HydrophobicContact CG-CE1 4.19Å; Q161-Y163 HydrophobicContact CG-CE2 3.71Å; Q161-Y163 WeakPolarHBondContact O-CD2 3.25Å; Q161-Y163 WeakPolarHBondContact O-CE2 3.18Å; Q161-Y163 PolarHBondContact OE1-OH 3.32Å; Q161-W297 HydrophobicContact CB-CH2 4.48Å; Q161-W297 HydrophobicContact CG-CH2 3.89Å; Q161-W297 HydrophobicContact CG-CZ3 3.88Å
162	D	98.4	Very high	97.7	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	28%	0.276	C	S	.	.			trans	-89	121.9	168.9	-174.1	-12.8	0	0	0	109.5	N149 G164 Y243	N149-D162 PolarHBondContact ND2-OD1 3.27Å; D162-G164 PolarHBondContact OD1-N 2.78Å; D162-Y243 WeakPolarHBondContact OD2-CE2 3.32Å; D162-Y243 PolarHBondContact OD2-OH 3.21Å
163	Y	98.7	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.271	C	S	.	.			trans	-99.8	7.3	-179.2	-67.4	-91.1	0	0	0	113.8	F114 N115 M118 N149 Q161 A165 W166 Y167	F114-Y163 VanDerWaalsContact C-CE2 3.47Å; F114-Y163 HydrophobicContact CB-CD2 3.72Å; F114-Y163 HydrophobicContact CB-CE2 4.28Å; F114-Y163 HydrophobicContact CB-CG 4.42Å; F114-Y163 VanDerWaalsContact O-CE2 3.32Å; F114-Y163 WeakPolarHBondContact O-CE2 3.4Å; N115-Y163 WeakPolarHBondContact CA-OH 3.42Å; N115-Y163 HydrophobicContact CB-CE2 4.43Å; M118-Y163 WeakPolarHBondContact CE-OH 3.49Å; M118-Y163 HydrophobicContact CG-CD1 4.45Å; M118-Y163 HydrophobicContact CG-CE1 3.36Å; M118-Y163 WeakPolarHBondContact CG-OH 3.41Å; M118-Y163 HydrophobicContact SD-CE1 3.79Å; M118-Y163 PolarHBondContact SD-OH 2.84Å; N149-Y163 PolarHBondContact OD1-N 2.86Å; Q161-Y163 HydrophobicContact CB-CD2 4.42Å; Q161-Y163 HydrophobicContact CB-CE2 3.64Å; Q161-Y163 VanDerWaalsContact CD-CZ 3.41Å; Q161-Y163 VanDerWaalsContact CD-OH 3.23Å; Q161-Y163 HydrophobicContact CG-CD2 4.23Å; Q161-Y163 HydrophobicContact CG-CE1 4.19Å; Q161-Y163 HydrophobicContact CG-CE2 3.71Å; Q161-Y163 WeakPolarHBondContact O-CD2 3.25Å; Q161-Y163 WeakPolarHBondContact O-CE2 3.18Å; Q161-Y163 PolarHBondContact OE1-OH 3.32Å; Y163-A165 VanDerWaalsContact C-N 3.35Å; Y163-A165 PolarHBondContact O-N 2.83Å; Y163-W166 HydrophobicContact CD1-CB 4.49Å; Y163-W166 HydrophobicContact CD1-CD2 4.16Å; Y163-W166 AromaticContact CD1-CE3 3.94Å; Y163-W166 HydrophobicContact CD1-CE3 3.94Å; Y163-W166 HydrophobicContact CD1-CG 4.42Å; Y163-W166 HydrophobicContact CE1-CE3 4.1Å; Y163-W166 HydrophobicContact CE1-CZ3 4.25Å; Y163-W166 PolarHBondContact O-N 3.3Å; Y163-W166 VanDerWaalsContact O-N 3.11Å; Y163-Y167 VanDerWaalsContact CB-CE2 3.5Å; Y163-Y167 HydrophobicContact CD1-CE2 4.38Å; Y163-Y167 HydrophobicContact CG-CE2 4.12Å; Y163-Y167 WeakPolarHBondContact O-CD2 3.2Å; Y163-Y167 PolarHBondContact O-N 3.04Å; Y163-Y167 VanDerWaalsContact O-N 3.08Å
164	G	98.4	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-47.9	-55.1	179.6	0	0	0	0	0	112.5	D162 W166 A168 L201	D162-G164 PolarHBondContact OD1-N 2.78Å; G164-W166 PolarHBondContact O-N 2.9Å; G164-A168 WeakPolarHBondContact O-CB 3.17Å; G164-A168 PolarHBondContact O-N 3.5Å; G164-L201 VanDerWaalsContact CA-CD1 3.49Å
165	A	98.5	Very high	98.4	Very high	24 Å²	24	40.8 Å²	40.8	20%	0.198	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-38.3	-180	0	0	0	0	0	113.6	Y163 S169 C300 I302	Y163-A165 VanDerWaalsContact C-N 3.35Å; Y163-A165 PolarHBondContact O-N 2.83Å; A165-S169 WeakPolarHBondContact O-CB 3.42Å; A165-S169 PolarHBondContact O-N 2.75Å; A165-S169 VanDerWaalsContact O-N 3.13Å; A165-C300 VanDerWaalsContact CB-O 3.28Å; A165-C300 WeakPolarHBondContact CB-O 3.49Å; A165-I302 HydrophobicContact CB-CD1 4.32Å
166	W	98.8	Very high	98.5	Very high	121 Å²	121	38.6 Å²	38.6	46%	0.458	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-55.9	179.1	-82.9	34	0	0	0	111.1	M118 I121 Y163 G164 S169	M118-W166 HydrophobicContact CG-CZ3 4.29Å; M118-W166 HydrophobicContact SD-CH2 4.2Å; M118-W166 HydrophobicContact SD-CZ3 4.2Å; I121-W166 HydrophobicContact CD1-CE3 3.76Å; I121-W166 HydrophobicContact CD1-CZ3 4.13Å; Y163-W166 HydrophobicContact CD1-CB 4.49Å; Y163-W166 HydrophobicContact CD1-CD2 4.16Å; Y163-W166 AromaticContact CD1-CE3 3.94Å; Y163-W166 HydrophobicContact CD1-CE3 3.94Å; Y163-W166 HydrophobicContact CD1-CG 4.42Å; Y163-W166 HydrophobicContact CE1-CE3 4.1Å; Y163-W166 HydrophobicContact CE1-CZ3 4.25Å; Y163-W166 PolarHBondContact O-N 3.3Å; Y163-W166 VanDerWaalsContact O-N 3.11Å; G164-W166 PolarHBondContact O-N 2.9Å; W166-S169 PolarHBondContact O-N 3.45Å; W166-S169 PolarHBondContact O-OG 2.84Å
167	Y	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-36.9	-178.8	-67.5	-66.7	0	0	0	111.9	F114 A117 I121 I124 I125 Y163 S169 C170 L173 V199 L201	F114-Y167 HydrophobicContact CD1-CD2 4.44Å; F114-Y167 AromaticContact CD1-CE2 3.55Å; F114-Y167 HydrophobicContact CD1-CE2 3.55Å; F114-Y167 HydrophobicContact CE1-CD2 4.47Å; F114-Y167 AromaticContact CE1-CE2 3.81Å; F114-Y167 HydrophobicContact CE1-CE2 3.81Å; A117-Y167 WeakPolarHBondContact CB-OH 3.3Å; I121-Y167 HydrophobicContact CD1-CE1 4.18Å; I121-Y167 HydrophobicContact CG1-CE1 4.06Å; I124-Y167 HydrophobicContact CB-CE1 4.4Å; I124-Y167 HydrophobicContact CD1-CE1 3.88Å; I124-Y167 WeakPolarHBondContact CD1-OH 3.26Å; I124-Y167 HydrophobicContact CG2-CD1 4.19Å; I124-Y167 HydrophobicContact CG2-CE1 3.84Å; I125-Y167 HydrophobicContact CD1-CD1 4.42Å; Y163-Y167 VanDerWaalsContact CB-CE2 3.5Å; Y163-Y167 HydrophobicContact CD1-CE2 4.38Å; Y163-Y167 HydrophobicContact CG-CE2 4.12Å; Y163-Y167 WeakPolarHBondContact O-CD2 3.2Å; Y163-Y167 PolarHBondContact O-N 3.04Å; Y163-Y167 VanDerWaalsContact O-N 3.08Å; Y167-S169 PolarHBondContact O-N 3.27Å; Y167-C170 PolarHBondContact O-N 2.87Å; Y167-C170 VanDerWaalsContact O-N 3.12Å; Y167-L173 HydrophobicContact CD1-CD1 3.84Å; Y167-L173 HydrophobicContact CG-CD1 4.47Å; Y167-V199 HydrophobicContact CD1-CG2 4.06Å; Y167-V199 HydrophobicContact CD2-CG1 3.98Å; Y167-V199 HydrophobicContact CE2-CG1 4.42Å; Y167-V199 HydrophobicContact CG-CG1 4.1Å; Y167-V199 HydrophobicContact CG-CG2 4.19Å; Y167-L201 HydrophobicContact CD2-CD2 4.29Å
168	A	98.6	Very high	98.6	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-22	179.6	0	0	0	0	0	113.2	G164 C170 L272 R273 I302	G164-A168 WeakPolarHBondContact O-CB 3.17Å; G164-A168 PolarHBondContact O-N 3.5Å; A168-C170 VanDerWaalsContact C-N 3.26Å; A168-C170 PolarHBondContact O-N 2.7Å; A168-L272 HydrophobicContact CB-CB 4.08Å; A168-R273 HydrophobicContact CB-CB 4.21Å; A168-R273 VanDerWaalsContact O-CD 3.29Å; A168-R273 WeakPolarHBondContact O-CD 3.47Å; A168-R273 PolarHBondContact O-NH1 3.47Å; A168-I302 HydrophobicContact CB-CD1 3.87Å
169	S	98.5	Very high	98.6	Very high	83 Å²	83	28.8 Å²	28.8	58%	0.58	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.7	175.4	76.1	0	0	0	0	114.3	A165 W166 Y167 P171	A165-S169 WeakPolarHBondContact O-CB 3.42Å; A165-S169 PolarHBondContact O-N 2.75Å; A165-S169 VanDerWaalsContact O-N 3.13Å; W166-S169 PolarHBondContact O-N 3.45Å; W166-S169 PolarHBondContact O-OG 2.84Å; Y167-S169 PolarHBondContact O-N 3.27Å; S169-P171 WeakPolarHBondContact O-CD 3.48Å
170	C	98.7	Very high	98.6	Very high	27 Å²	27	25.7 Å²	25.7	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-100.2	114.2	-168.4	-66.4	0	0	0	0	113.2	I125 Y167 A168 L173 R273	I125-C170 HydrophobicContact CD1-CB 3.61Å; I125-C170 WeakPolarHBondContact CD1-SG 3.33Å; Y167-C170 PolarHBondContact O-N 2.87Å; Y167-C170 VanDerWaalsContact O-N 3.12Å; A168-C170 VanDerWaalsContact C-N 3.26Å; A168-C170 PolarHBondContact O-N 2.7Å; C170-L173 HydrophobicContact CB-CD1 4.14Å; C170-L173 HydrophobicContact CB-CG 4.44Å; C170-L173 PolarHBondContact O-N 2.8Å; C170-R273 WeakPolarHBondContact O-CD 3.42Å; C170-R273 PolarHBondContact O-NE 3.1Å
171	P	98.6	Very high	98.6	Very high	90 Å²	90	25.1 Å²	25.1	58%	0.584	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	144.8	171.7	-23	34.7	0	0	0	113	S169 L173	S169-P171 WeakPolarHBondContact O-CD 3.48Å; P171-L173 VanDerWaalsContact C-N 3.31Å
172	G	98.1	Very high	98.6	Very high	38 Å²	38	26 Å²	26	39%	0.392	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-14	-176	0	0	0	0	0	114.5	A129	A129-G172 VanDerWaalsContact O-CA 3.31Å; A129-G172 WeakPolarHBondContact O-CA 3.5Å
173	L	98.7	Very high	98.6	Very high	7 Å²	7	25 Å²	25	4%	0.037	15%	0.148	C	C	.	.			trans	-91.1	152.2	167.9	-68.2	-173.3	0	0	0	112.2	I124 I125 A129 Y167 C170 P171 V175 P197 V199 R273	I124-L173 HydrophobicContact CG2-CD1 4.16Å; I124-L173 HydrophobicContact CG2-CD2 4.21Å; I125-L173 HydrophobicContact CD1-CD1 3.66Å; I125-L173 HydrophobicContact CD1-CG 4.41Å; A129-L173 HydrophobicContact CB-CD2 3.54Å; A129-L173 HydrophobicContact CB-CG 3.63Å; Y167-L173 HydrophobicContact CD1-CD1 3.84Å; Y167-L173 HydrophobicContact CG-CD1 4.47Å; C170-L173 HydrophobicContact CB-CD1 4.14Å; C170-L173 HydrophobicContact CB-CG 4.44Å; C170-L173 PolarHBondContact O-N 2.8Å; P171-L173 VanDerWaalsContact C-N 3.31Å; L173-V175 HydrophobicContact CB-CG2 4.2Å; L173-P197 HydrophobicContact CD2-CB 3.78Å; L173-V199 HydrophobicContact CD1-CG2 3.95Å; L173-V199 HydrophobicContact CD2-CG2 4.36Å; L173-R273 WeakPolarHBondContact O-CD 3.23Å; L173-R273 PolarHBondContact O-NE 2.68Å
174	K	98.9	Very high	98.6	Very high	40 Å²	40	25.1 Å²	25.1	17%	0.174	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.2	153.5	-65.4	160.8	-172.1	163	0	108.2	D194 D196 P197 V198 V199 I226 R273	K174-D194 IonicContact NZ-OD1 2.75Å; K174-D194 PolarHBondContact NZ-OD1 2.84Å; K174-D194 IonicContact NZ-OD2 2.64Å; K174-D194 PolarHBondContact NZ-OD2 2.87Å; K174-D196 IonicContact NZ-OD2 3.62Å; K174-D196 PolarHBondContact NZ-OD2 2.84Å; K174-P197 PolarHBondContact N-O 3.07Å; K174-P197 VanDerWaalsContact N-O 3.13Å; K174-V198 HydrophobicContact CB-CG1 4.17Å; K174-V198 HydrophobicContact CB-CG2 4.15Å; K174-V198 HydrophobicContact CD-CG2 4.28Å; K174-V198 CarbonylContact O-C 3.57Å; K174-V198 WeakPolarHBondContact O-CA 3.36Å; K174-V199 PolarHBondContact O-N 2.62Å; K174-I226 HydrophobicContact CB-CG2 4.25Å; K174-I226 HydrophobicContact CD-CD1 4.12Å; K174-I226 HydrophobicContact CD-CG2 4.22Å; K174-I226 HydrophobicContact CG-CG2 4.25Å; K174-R273 CarbonylContact C-O 3.51Å; K174-R273 VanDerWaalsContact CA-O 3.23Å; K174-R273 WeakPolarHBondContact CA-O 3.49Å
175	V	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.2	-175.1	-174.2	0	0	0	0	109.6	L173 V199 L201 S271 L272 R273	L173-V175 HydrophobicContact CB-CG2 4.2Å; V175-V199 CarbonylContact C-O 3.49Å; V175-V199 WeakPolarHBondContact CA-O 3.31Å; V175-V199 HydrophobicContact CG1-CB 4.39Å; V175-V199 HydrophobicContact CG1-CG1 4.5Å; V175-V199 HydrophobicContact CG2-CB 4.29Å; V175-L201 HydrophobicContact CG1-CD1 3.69Å; V175-L201 HydrophobicContact CG1-CG 4.25Å; V175-S271 CarbonylContact O-C 3.59Å; V175-S271 WeakPolarHBondContact O-CA 3.2Å; V175-L272 HydrophobicContact CB-CB 4.31Å; V175-L272 HydrophobicContact CG1-CB 4.18Å; V175-L272 HydrophobicContact CG1-CD1 4.28Å; V175-L272 PolarHBondContact O-N 2.64Å; V175-R273 HydrophobicContact CB-CB 4.01Å; V175-R273 HydrophobicContact CG2-CB 4.02Å; V175-R273 PolarHBondContact N-O 3.42Å; V175-R273 PolarHBondContact O-N 2.98Å; V175-R273 VanDerWaalsContact O-N 3.14Å
176	L	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.8	-173.1	-50.9	178.8	0	0	0	109.5	L187 A191 V198 V199 L201 I226 R270 S271	L176-L187 HydrophobicContact CD1-CB 4.15Å; L176-L187 HydrophobicContact CD1-CD2 4.47Å; L176-L187 HydrophobicContact CD2-CD2 4.4Å; L176-A191 HydrophobicContact CD1-CB 4.06Å; L176-V198 HydrophobicContact CD1-CG1 3.56Å; L176-V198 HydrophobicContact CG-CG1 3.86Å; L176-V199 PolarHBondContact N-O 3.04Å; L176-L201 WeakPolarHBondContact O-CB 3.4Å; L176-L201 PolarHBondContact O-N 3.34Å; L176-I226 HydrophobicContact CD1-CD1 4.11Å; L176-I226 HydrophobicContact CD1-CG1 4.13Å; L176-I226 HydrophobicContact CD2-CB 4.41Å; L176-I226 HydrophobicContact CD2-CG1 4.05Å; L176-I226 HydrophobicContact CD2-CG2 3.88Å; L176-R270 CarbonylContact C-O 3.57Å; L176-R270 WeakPolarHBondContact CA-O 3.4Å; L176-S271 VanDerWaalsContact CD2-OG 3.25Å; L176-S271 WeakPolarHBondContact CD2-OG 3.09Å
177	A	98.8	Very high	98.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	12%	0.117	C	C	.	.			trans	-141.5	80.1	179.2	0	0	0	0	0	110.1	L201 Y243 S244 R270 L272	A177-L201 HydrophobicContact CB-CB 4.42Å; A177-Y243 HydrophobicContact CB-CD2 3.68Å; A177-Y243 HydrophobicContact CB-CG 4.26Å; A177-S244 PolarHBondContact O-N 2.73Å; A177-R270 PolarHBondContact N-O 3.07Å; A177-L272 HydrophobicContact CB-CD1 3.99Å; A177-L272 HydrophobicContact CB-CD2 4.41Å; A177-L272 HydrophobicContact CB-CG 4.05Å
178	P	98.8	Very high	98.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	12%	0.117	C	C	.	.			trans	-69.8	152.4	-174.7	31.4	-39.6	0	0	0	113.2	D183 C184 L187 L201 E202 S244	P178-D183 HydrophobicContact CB-CB 3.61Å; P178-C184 HydrophobicContact CB-CB 4.46Å; P178-C184 VanDerWaalsContact CB-SG 3.55Å; P178-C184 VanDerWaalsContact CG-SG 3.58Å; P178-L187 HydrophobicContact CB-CD1 4.11Å; P178-L201 WeakPolarHBondContact CD-O 3.37Å; P178-E202 HydrophobicContact CG-CG 4.5Å; P178-S244 WeakPolarHBondContact O-CA 3.37Å
179	Y	98.6	Very high	98.6	Very high	23 Å²	23	17.8 Å²	17.8	9%	0.09	11%	0.112	C	C	.	.			trans	-106.6	-55.1	176.6	165.5	-126.4	0	0	0	113.3	D183 L206 F211 S244 V247 G248 L251	Y179-D183 WeakPolarHBondContact CB-OD2 3.42Å; Y179-D183 PolarHBondContact N-OD2 3.35Å; Y179-L206 HydrophobicContact CD2-CD1 4.17Å; Y179-L206 HydrophobicContact CD2-CD2 4.16Å; Y179-L206 HydrophobicContact CE2-CD2 4.13Å; Y179-L206 WeakPolarHBondContact O-CD1 3.47Å; Y179-F211 HydrophobicContact CE1-CE1 4.2Å; Y179-F211 HydrophobicContact CE2-CE1 4.47Å; Y179-F211 HydrophobicContact CE2-CZ 4.16Å; Y179-F211 AromaticContact CZ-CE1 3.92Å; Y179-S244 WeakPolarHBondContact CD2-O 3.49Å; Y179-V247 HydrophobicContact CD1-CB 3.71Å; Y179-V247 HydrophobicContact CD1-CG1 3.36Å; Y179-V247 HydrophobicContact CD2-CB 3.98Å; Y179-V247 HydrophobicContact CD2-CG1 4.5Å; Y179-V247 HydrophobicContact CE1-CB 4.13Å; Y179-V247 HydrophobicContact CE1-CG1 3.64Å; Y179-V247 HydrophobicContact CE2-CB 4.39Å; Y179-V247 HydrophobicContact CG-CB 3.63Å; Y179-V247 HydrophobicContact CG-CG1 3.85Å; Y179-V247 HydrophobicContact CG-CG2 4.23Å; Y179-G248 VanDerWaalsContact OH-CA 3.3Å; Y179-G248 WeakPolarHBondContact OH-CA 3.34Å; Y179-L251 HydrophobicContact CE1-CD1 3.89Å
180	N	98.3	Very high	98.6	Very high	14 Å²	14	14.5 Å²	14.5	8%	0.075	9%	0.09	C	C	.	.	S	Bend	trans	-111.3	-177	-172.3	64.9	33.6	0	0	0	112.6	E182 D183 C184 F211	N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 3.41Å; N180-E182 WeakPolarHBondContact OD1-CB 3.3Å; N180-E182 PolarHBondContact OD1-N 3.14Å; N180-D183 PolarHBondContact N-OD2 3.39Å; N180-D183 PolarHBondContact O-N 2.82Å; N180-D183 VanDerWaalsContact OD1-CG 3.27Å; N180-D183 PolarHBondContact OD1-N 2.81Å; N180-D183 PolarHBondContact OD1-OD1 2.81Å; N180-C184 WeakPolarHBondContact O-CB 3.46Å; N180-C184 PolarHBondContact O-N 3.23Å; N180-C184 PolarHBondContact O-SG 3.06Å; N180-F211 HydrophobicContact CB-CD1 3.67Å; N180-F211 HydrophobicContact CB-CD2 4.15Å; N180-F211 HydrophobicContact CB-CE1 3.76Å; N180-F211 HydrophobicContact CB-CE2 4.23Å; N180-F211 HydrophobicContact CB-CG 3.87Å; N180-F211 HydrophobicContact CB-CZ 4.05Å
181	C	98.3	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.6	-37.3	180	-67.2	0	0	0	0	113.6	M34 V36 A39 R185 F211 V213	M34-C181 HydrophobicContact CG-CB 3.92Å; M34-C181 PolarHBondContact O-SG 3.5Å; M34-C181 HydrophobicContact SD-CB 4.31Å; V36-C181 PolarHBondContact N-SG 3.49Å; V36-C181 VanDerWaalsContact N-SG 3.38Å; A39-C181 HydrophobicContact CB-CB 3.76Å; C181-R185 WeakPolarHBondContact O-CB 3.41Å; C181-R185 PolarHBondContact O-N 3.18Å; C181-F211 HydrophobicContact CB-CB 4.15Å; C181-V213 HydrophobicContact CB-CG2 3.46Å; C181-V213 VanDerWaalsContact CB-CG2 3.46Å
182	E	98.1	Very high	98.6	Very high	44 Å²	44	9.4 Å²	9.4	21%	0.206	6%	0.056	C	C	.	.	H	α-helix	trans	-63.7	-48.7	177.2	-178.1	-173.6	96.8	0	0	110.3	N180 R185 G186 A217 F222 I224 K230 R270	N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 3.41Å; N180-E182 WeakPolarHBondContact OD1-CB 3.3Å; N180-E182 PolarHBondContact OD1-N 3.14Å; E182-R185 PolarHBondContact O-N 3.28Å; E182-G186 PolarHBondContact O-N 2.8Å; E182-A217 HydrophobicContact CG-CB 4.13Å; E182-F222 HydrophobicContact CG-CE1 3.82Å; E182-F222 HydrophobicContact CG-CZ 3.54Å; E182-I224 HydrophobicContact CG-CD1 4.3Å; E182-I224 WeakPolarHBondContact O-CD1 3.42Å; E182-K230 IonicContact OE1-NZ 2.82Å; E182-K230 PolarHBondContact OE1-NZ 3.13Å; E182-K230 IonicContact OE2-NZ 3.48Å; E182-R270 IonicContact OE1-NH2 3.26Å; E182-R270 PolarHBondContact OE1-NH2 3.35Å
183	D	98.6	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.9	-52.8	176.5	-62	-17.4	0	0	0	111	P178 Y179 N180 R185 G186 L187 N268 R270	P178-D183 HydrophobicContact CB-CB 3.61Å; Y179-D183 WeakPolarHBondContact CB-OD2 3.42Å; Y179-D183 PolarHBondContact N-OD2 3.35Å; N180-D183 PolarHBondContact N-OD2 3.39Å; N180-D183 PolarHBondContact O-N 2.82Å; N180-D183 VanDerWaalsContact OD1-CG 3.27Å; N180-D183 PolarHBondContact OD1-N 2.81Å; N180-D183 PolarHBondContact OD1-OD1 2.81Å; D183-R185 VanDerWaalsContact C-N 3.3Å; D183-R185 PolarHBondContact O-N 3.45Å; D183-G186 PolarHBondContact O-N 2.71Å; D183-L187 HydrophobicContact CB-CD1 4.11Å; D183-L187 WeakPolarHBondContact O-CB 3.38Å; D183-L187 WeakPolarHBondContact O-CG 3.43Å; D183-L187 PolarHBondContact O-N 2.92Å; D183-N268 PolarHBondContact OD2-ND2 3.24Å; D183-R270 IonicContact OD1-CZ 3.73Å; D183-R270 IonicContact OD1-NE 2.7Å; D183-R270 PolarHBondContact OD1-NE 2.67Å; D183-R270 IonicContact OD1-NH2 3.15Å; D183-R270 PolarHBondContact OD1-NH2 3.34Å
184	C	98.6	Very high	98.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-59.6	-38.7	-177.8	-77.8	0	0	0	0	112.8	V36 A39 L40 P178 N180 L188	V36-C184 HydrophobicContact CG1-CB 4.32Å; V36-C184 WeakPolarHBondContact CG1-SG 3.38Å; A39-C184 HydrophobicContact CB-CB 4.45Å; L40-C184 HydrophobicContact CD2-CB 3.72Å; L40-C184 HydrophobicContact CG-CB 3.86Å; P178-C184 HydrophobicContact CB-CB 4.46Å; P178-C184 VanDerWaalsContact CB-SG 3.55Å; P178-C184 VanDerWaalsContact CG-SG 3.58Å; N180-C184 WeakPolarHBondContact O-CB 3.46Å; N180-C184 PolarHBondContact O-N 3.23Å; N180-C184 PolarHBondContact O-SG 3.06Å; C184-L188 WeakPolarHBondContact O-CB 3.37Å; C184-L188 PolarHBondContact O-N 2.94Å
185	R	98.1	Very high	98.6	Very high	3 Å²	3	13 Å²	13	1%	0.011	7%	0.067	C	C	.	.	H	α-helix	trans	-70	-58.3	175.4	-84.1	174.1	65.1	81.1	6.7	111.6	A39 S42 A43 E46 C181 E182 D183 L187 K189 A217 L218	A39-R185 HydrophobicContact CB-CG 3.82Å; A39-R185 WeakPolarHBondContact O-CG 3.4Å; S42-R185 PolarHBondContact OG-NH1 3.3Å; A43-R185 HydrophobicContact CB-CG 4.28Å; E46-R185 IonicContact OE1-CZ 3.41Å; E46-R185 IonicContact OE1-NH1 3.81Å; E46-R185 PolarHBondContact OE1-NH1 3.36Å; E46-R185 IonicContact OE1-NH2 2.74Å; E46-R185 PolarHBondContact OE1-NH2 3.33Å; E46-R185 IonicContact OE2-CZ 3.71Å; E46-R185 IonicContact OE2-NH1 2.58Å; E46-R185 IonicContact OE2-NH2 3.49Å; E46-R185 PolarHBondContact OE2-NH2 3.33Å; C181-R185 WeakPolarHBondContact O-CB 3.41Å; C181-R185 PolarHBondContact O-N 3.18Å; E182-R185 PolarHBondContact O-N 3.28Å; D183-R185 VanDerWaalsContact C-N 3.3Å; D183-R185 PolarHBondContact O-N 3.45Å; R185-L187 PolarHBondContact O-N 3.41Å; R185-K189 WeakPolarHBondContact O-CB 3.47Å; R185-K189 WeakPolarHBondContact O-CD 3.42Å; R185-K189 WeakPolarHBondContact O-CG 3.46Å; R185-K189 PolarHBondContact O-N 3.16Å; R185-K189 VanDerWaalsContact O-N 3.12Å; R185-A217 PolarHBondContact NE-O 2.94Å; R185-A217 PolarHBondContact NH2-O 2.84Å; R185-L218 PolarHBondContact NH2-O 3.16Å
186	G	98.6	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.3	-38.7	-170.7	0	0	0	0	0	113.3	E182 D183 S190 I224	E182-G186 PolarHBondContact O-N 2.8Å; D183-G186 PolarHBondContact O-N 2.71Å; G186-S190 WeakPolarHBondContact O-CB 3.35Å; G186-S190 PolarHBondContact O-N 3.15Å; G186-S190 VanDerWaalsContact O-N 3.08Å; G186-S190 PolarHBondContact O-OG 2.78Å; G186-I224 PolarHBondContact O-N 2.91Å
187	L	98.8	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-74.3	-41	179.8	-68.7	171.9	0	0	0	112.1	L176 P178 D183 R185 S190 A191 I224 R270	L176-L187 HydrophobicContact CD1-CB 4.15Å; L176-L187 HydrophobicContact CD1-CD2 4.47Å; L176-L187 HydrophobicContact CD2-CD2 4.4Å; P178-L187 HydrophobicContact CB-CD1 4.11Å; D183-L187 HydrophobicContact CB-CD1 4.11Å; D183-L187 WeakPolarHBondContact O-CB 3.38Å; D183-L187 WeakPolarHBondContact O-CG 3.43Å; D183-L187 PolarHBondContact O-N 2.92Å; R185-L187 PolarHBondContact O-N 3.41Å; L187-S190 PolarHBondContact O-N 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.08Å; L187-I224 HydrophobicContact CD2-CB 3.94Å; L187-I224 HydrophobicContact CD2-CG2 3.59Å; L187-I224 HydrophobicContact CG-CB 4.2Å; L187-I224 HydrophobicContact CG-CD1 4.38Å; L187-I224 HydrophobicContact CG-CG2 4.14Å; L187-R270 HydrophobicContact CD1-CB 3.86Å; L187-R270 HydrophobicContact CD1-CG 4.17Å; L187-R270 HydrophobicContact CD2-CB 4.5Å
188	L	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.2	-43	177.6	-176.9	56.7	0	0	0	111.4	L40 A43 M44 V144 C184 S190 A191 I192	L40-L188 HydrophobicContact CD2-CD2 3.81Å; A43-L188 HydrophobicContact CB-CB 4.43Å; A43-L188 HydrophobicContact CB-CD2 4.24Å; M44-L188 HydrophobicContact CG-CD2 3.67Å; M44-L188 HydrophobicContact SD-CD2 4.44Å; V144-L188 HydrophobicContact CG1-CD1 4.12Å; C184-L188 WeakPolarHBondContact O-CB 3.37Å; C184-L188 PolarHBondContact O-N 2.94Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.41Å; L188-A191 WeakPolarHBondContact O-CB 3.41Å; L188-A191 PolarHBondContact O-N 2.82Å; L188-I192 HydrophobicContact CD1-CD1 4.14Å; L188-I192 HydrophobicContact CD1-CG1 4.35Å; L188-I192 HydrophobicContact CG-CD1 3.94Å; L188-I192 WeakPolarHBondContact O-CD1 3.45Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.35Å; L188-I192 PolarHBondContact O-N 3.37Å
189	K	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-40.7	174.7	-66.7	167.8	68.3	71	0	111.4	A43 E46 E47 R185 I192 R193 S220 F222 L223	A43-K189 HydrophobicContact CB-CD 4.19Å; A43-K189 HydrophobicContact CB-CG 3.77Å; E46-K189 WeakPolarHBondContact OE2-CE 3.32Å; E46-K189 IonicContact OE2-NZ 3.31Å; E46-K189 PolarHBondContact OE2-NZ 3.47Å; E47-K189 HydrophobicContact CG-CB 4.4Å; E47-K189 HydrophobicContact CG-CG 4.11Å; E47-K189 WeakPolarHBondContact OE1-CE 3.39Å; E47-K189 IonicContact OE1-NZ 2.83Å; E47-K189 PolarHBondContact OE1-NZ 3.13Å; R185-K189 WeakPolarHBondContact O-CB 3.47Å; R185-K189 WeakPolarHBondContact O-CD 3.42Å; R185-K189 WeakPolarHBondContact O-CG 3.46Å; R185-K189 PolarHBondContact O-N 3.16Å; R185-K189 VanDerWaalsContact O-N 3.12Å; K189-I192 PolarHBondContact O-N 3.4Å; K189-R193 VanDerWaalsContact O-CG 3.29Å; K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 3.28Å; K189-R193 VanDerWaalsContact O-N 3.14Å; K189-S220 VanDerWaalsContact CE-O 3.22Å; K189-S220 WeakPolarHBondContact CE-O 3.36Å; K189-S220 PolarHBondContact NZ-O 2.76Å; K189-F222 WeakPolarHBondContact CD-O 3.35Å; K189-F222 WeakPolarHBondContact CE-O 3.41Å; K189-L223 HydrophobicContact CB-CD2 3.51Å
190	S	98.9	Very high	98.5	Very high	15 Å²	15	14.4 Å²	14.4	11%	0.105	8%	0.076	C	C	.	.	H	α-helix	trans	-66	-39.6	176.5	-57	0	0	0	0	111.7	G186 L187 L188 R193 D194 I224	G186-S190 WeakPolarHBondContact O-CB 3.35Å; G186-S190 PolarHBondContact O-N 3.15Å; G186-S190 VanDerWaalsContact O-N 3.08Å; G186-S190 PolarHBondContact O-OG 2.78Å; L187-S190 PolarHBondContact O-N 3.29Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.41Å; S190-R193 PolarHBondContact O-N 3.1Å; S190-D194 WeakPolarHBondContact O-CB 3.44Å; S190-D194 PolarHBondContact O-N 3.34Å; S190-D194 VanDerWaalsContact O-N 3.11Å; S190-I224 WeakPolarHBondContact CB-O 3.38Å; S190-I224 PolarHBondContact OG-N 2.78Å; S190-I224 PolarHBondContact OG-O 3.4Å
191	A	98.9	Very high	98.6	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.1	0	0	0	0	0	112.4	V144 L176 L187 L188 R193 D194 V198	V144-A191 HydrophobicContact CG1-CB 4.26Å; V144-A191 VanDerWaalsContact CG2-C 3.47Å; V144-A191 HydrophobicContact CG2-CB 3.86Å; V144-A191 WeakPolarHBondContact CG2-O 3.38Å; L176-A191 HydrophobicContact CD1-CB 4.06Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.08Å; L188-A191 WeakPolarHBondContact O-CB 3.41Å; L188-A191 PolarHBondContact O-N 2.82Å; A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 2.82Å; A191-D194 WeakPolarHBondContact O-CB 3.35Å; A191-D194 PolarHBondContact O-N 3.22Å; A191-V198 HydrophobicContact CB-CB 3.89Å; A191-V198 HydrophobicContact CB-CG1 3.61Å; A191-V198 HydrophobicContact CB-CG2 4.18Å
192	I	98.8	Very high	98.6	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-65.7	-31.8	179.5	-65.6	160.7	0	0	0	111.8	E47 V54 I108 V144 L188 K189 D194	E47-I192 HydrophobicContact CB-CB 4.5Å; E47-I192 HydrophobicContact CB-CD1 3.96Å; E47-I192 HydrophobicContact CB-CG2 3.88Å; E47-I192 HydrophobicContact CG-CB 4.19Å; E47-I192 HydrophobicContact CG-CD1 3.76Å; E47-I192 HydrophobicContact CG-CG2 4.05Å; V54-I192 HydrophobicContact CG1-CG2 4.19Å; V54-I192 HydrophobicContact CG2-CG2 3.76Å; I108-I192 HydrophobicContact CD1-CD1 3.49Å; I108-I192 VanDerWaalsContact CD1-CD1 3.49Å; I108-I192 HydrophobicContact CD1-CG1 3.79Å; I108-I192 HydrophobicContact CG1-CD1 4.25Å; I108-I192 HydrophobicContact CG1-CG1 3.99Å; V144-I192 HydrophobicContact CG2-CG1 4.03Å; L188-I192 HydrophobicContact CD1-CD1 4.14Å; L188-I192 HydrophobicContact CD1-CG1 4.35Å; L188-I192 HydrophobicContact CG-CD1 3.94Å; L188-I192 WeakPolarHBondContact O-CD1 3.45Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.35Å; L188-I192 PolarHBondContact O-N 3.37Å; K189-I192 PolarHBondContact O-N 3.4Å; I192-D194 VanDerWaalsContact C-N 3.33Å
193	R	98.6	Very high	98.6	Very high	64 Å²	64	11.9 Å²	11.9	24%	0.242	6%	0.064	C	C	.	.	H	α-helix	trans	-84.6	-8.2	178.6	-66.4	-180	-171	-170.7	9.4	113.3	E47 K189 S190 A191 S220	E47-R193 IonicContact OE1-CZ 2.83Å; E47-R193 IonicContact OE1-NE 3.89Å; E47-R193 PolarHBondContact OE1-NE 2.71Å; E47-R193 IonicContact OE1-NH2 2.68Å; E47-R193 PolarHBondContact OE1-NH2 2.67Å; E47-R193 WeakPolarHBondContact OE2-CG 3.41Å; E47-R193 IonicContact OE2-CZ 2.85Å; E47-R193 IonicContact OE2-NE 2.62Å; E47-R193 PolarHBondContact OE2-NE 3.26Å; E47-R193 IonicContact OE2-NH2 2.8Å; E47-R193 PolarHBondContact OE2-NH2 2.98Å; K189-R193 VanDerWaalsContact O-CG 3.29Å; K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 3.28Å; K189-R193 VanDerWaalsContact O-N 3.14Å; S190-R193 PolarHBondContact O-N 3.1Å; A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 2.82Å; R193-S220 PolarHBondContact NH2-O 3.02Å; R193-S220 VanDerWaalsContact NH2-O 3.08Å
194	D	98.5	Very high	98.6	Very high	26 Å²	26	14 Å²	14	14%	0.139	7%	0.074	C	C	.	.			trans	-79.1	140.1	-177.7	-162.8	-77.8	0	0	0	111.4	K174 S190 A191 I192 D196 V198 I226	K174-D194 IonicContact NZ-OD1 2.75Å; K174-D194 PolarHBondContact NZ-OD1 2.84Å; K174-D194 IonicContact NZ-OD2 2.64Å; K174-D194 PolarHBondContact NZ-OD2 2.87Å; S190-D194 WeakPolarHBondContact O-CB 3.44Å; S190-D194 PolarHBondContact O-N 3.34Å; S190-D194 VanDerWaalsContact O-N 3.11Å; A191-D194 WeakPolarHBondContact O-CB 3.35Å; A191-D194 PolarHBondContact O-N 3.22Å; I192-D194 VanDerWaalsContact C-N 3.33Å; D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 3.34Å; D194-D196 WeakPolarHBondContact OD1-CB 3.14Å; D194-D196 PolarHBondContact OD1-N 3.01Å; D194-V198 HydrophobicContact CB-CG2 3.93Å; D194-I226 HydrophobicContact CB-CD1 4.49Å
195	P	97.3	Very high	98.5	Very high	71 Å²	71	17.1 Å²	17.1	46%	0.461	9%	0.09	S	C	.	.	S	Bend	trans	-79.8	-6.9	179.9	33.3	-37.5	0	0	0	114.4	S140 V141	S140-P195 PolarHBondContact OG-O 2.92Å; V141-P195 CarbonylContact C-O 3.48Å
196	D	97.8	Very high	98.5	Very high	51 Å²	51	17.1 Å²	17.1	27%	0.273	9%	0.09	S	C	.	.	S	Bend	trans	-111.5	163.4	-176.7	-55.9	-52.9	0	0	0	111.3	V141 K174 D194 V198	V141-D196 CarbonylContact O-C 3.56Å; K174-D196 IonicContact NZ-OD2 3.62Å; K174-D196 PolarHBondContact NZ-OD2 2.84Å; D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 3.34Å; D194-D196 WeakPolarHBondContact OD1-CB 3.14Å; D194-D196 PolarHBondContact OD1-N 3.01Å; D196-V198 WeakPolarHBondContact O-CG2 3.24Å; D196-V198 PolarHBondContact O-N 3.31Å
197	P	98.8	Very high	98.5	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.019	9%	0.091	C	C	.	.			trans	-64.6	127.7	176.3	-22	33.4	0	0	0	112.7	A128 V141 V143 L173 K174	A128-P197 HydrophobicContact CB-CB 3.94Å; A128-P197 HydrophobicContact CB-CG 3.61Å; V141-P197 HydrophobicContact CB-CG 3.97Å; V141-P197 HydrophobicContact CG1-CG 4.29Å; V141-P197 VanDerWaalsContact O-CD 3.31Å; V141-P197 WeakPolarHBondContact O-CD 3.32Å; V141-P197 WeakPolarHBondContact O-CG 3.32Å; V143-P197 HydrophobicContact CG1-CB 3.92Å; V143-P197 HydrophobicContact CG1-CG 4.24Å; V143-P197 WeakPolarHBondContact O-CA 3.42Å; L173-P197 HydrophobicContact CD2-CB 3.78Å; K174-P197 PolarHBondContact N-O 3.07Å; K174-P197 VanDerWaalsContact N-O 3.13Å
198	V	98.9	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.6	178.7	-170.5	0	0	0	0	110.9	V143 V144 F145 K174 L176 A191 D194 D196 I226	V143-V198 PolarHBondContact O-N 3.38Å; V144-V198 CarbonylContact C-O 3.43Å; V144-V198 WeakPolarHBondContact CA-O 3.31Å; F145-V198 PolarHBondContact N-O 3.15Å; K174-V198 HydrophobicContact CB-CG1 4.17Å; K174-V198 HydrophobicContact CB-CG2 4.15Å; K174-V198 HydrophobicContact CD-CG2 4.28Å; K174-V198 CarbonylContact O-C 3.57Å; K174-V198 WeakPolarHBondContact O-CA 3.36Å; L176-V198 HydrophobicContact CD1-CG1 3.56Å; L176-V198 HydrophobicContact CG-CG1 3.86Å; A191-V198 HydrophobicContact CB-CB 3.89Å; A191-V198 HydrophobicContact CB-CG1 3.61Å; A191-V198 HydrophobicContact CB-CG2 4.18Å; D194-V198 HydrophobicContact CB-CG2 3.93Å; D196-V198 WeakPolarHBondContact O-CG2 3.24Å; D196-V198 PolarHBondContact O-N 3.31Å; V198-I226 HydrophobicContact CG2-CD1 4.4Å
199	V	98.9	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.2	170.9	-179.7	0	0	0	0	108.8	F114 I124 F145 Y167 L173 K174 V175 L176 L201	F114-V199 HydrophobicContact CE1-CG1 3.51Å; F114-V199 HydrophobicContact CZ-CG1 3.56Å; I124-V199 HydrophobicContact CG2-CG2 4.18Å; F145-V199 HydrophobicContact CD2-CG2 4.47Å; F145-V199 CarbonylContact O-C 3.4Å; F145-V199 WeakPolarHBondContact O-CA 3.31Å; Y167-V199 HydrophobicContact CD1-CG2 4.06Å; Y167-V199 HydrophobicContact CD2-CG1 3.98Å; Y167-V199 HydrophobicContact CE2-CG1 4.42Å; Y167-V199 HydrophobicContact CG-CG1 4.1Å; Y167-V199 HydrophobicContact CG-CG2 4.19Å; L173-V199 HydrophobicContact CD1-CG2 3.95Å; L173-V199 HydrophobicContact CD2-CG2 4.36Å; K174-V199 PolarHBondContact O-N 2.62Å; V175-V199 CarbonylContact C-O 3.49Å; V175-V199 WeakPolarHBondContact CA-O 3.31Å; V175-V199 HydrophobicContact CG1-CB 4.39Å; V175-V199 HydrophobicContact CG1-CG1 4.5Å; V175-V199 HydrophobicContact CG2-CB 4.29Å; L176-V199 PolarHBondContact N-O 3.04Å; V199-L201 HydrophobicContact CG1-CD2 3.56Å; V199-L201 HydrophobicContact CG1-CG 3.94Å
200	H	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	94.1	-177.2	-167.8	-87.3	0	0	0	110.1	V144 F145 R146 E202	V144-H200 HydrophobicContact CG1-CB 4.27Å; F145-H200 PolarHBondContact O-N 2.85Å; R146-H200 WeakPolarHBondContact CA-O 3.4Å; R146-H200 HydrophobicContact CB-CB 3.97Å; H200-E202 IonicContact CE1-OE1 3.52Å; H200-E202 WeakPolarHBondContact ND1-CG 3.45Å; H200-E202 IonicContact ND1-OE1 2.71Å; H200-E202 PolarHBondContact ND1-OE1 3.08Å; H200-E202 PolarHBondContact O-N 2.83Å
201	L	98.9	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	92	-172.9	-58.1	175.9	0	0	0	110.9	F114 N149 G164 Y167 V175 L176 A177 P178 V199 L272	F114-L201 HydrophobicContact CD1-CD2 3.73Å; F114-L201 HydrophobicContact CD2-CD2 3.68Å; F114-L201 HydrophobicContact CE1-CD2 3.65Å; F114-L201 HydrophobicContact CE2-CD2 3.59Å; F114-L201 HydrophobicContact CG-CD2 3.74Å; F114-L201 HydrophobicContact CZ-CD2 3.58Å; N149-L201 HydrophobicContact CB-CB 3.82Å; N149-L201 HydrophobicContact CB-CD2 3.94Å; N149-L201 HydrophobicContact CB-CG 4.41Å; G164-L201 VanDerWaalsContact CA-CD1 3.49Å; Y167-L201 HydrophobicContact CD2-CD2 4.29Å; V175-L201 HydrophobicContact CG1-CD1 3.69Å; V175-L201 HydrophobicContact CG1-CG 4.25Å; L176-L201 WeakPolarHBondContact O-CB 3.4Å; L176-L201 PolarHBondContact O-N 3.34Å; A177-L201 HydrophobicContact CB-CB 4.42Å; P178-L201 WeakPolarHBondContact CD-O 3.37Å; V199-L201 HydrophobicContact CG1-CD2 3.56Å; V199-L201 HydrophobicContact CG1-CG 3.94Å; L201-L272 HydrophobicContact CD1-CD1 4.19Å
202	E	98.8	Very high	98.2	Very high	2 Å²	2	33 Å²	33	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	178.6	179.3	-63.4	166.6	-156.3	0	0	111.3	L40 R146 G147 P148 N149 P178 H200 Y207	L40-E202 HydrophobicContact CD1-CG 4.26Å; L40-E202 WeakPolarHBondContact CD1-OE2 3.46Å; L40-E202 HydrophobicContact CD2-CG 4.25Å; L40-E202 WeakPolarHBondContact CD2-OE1 3.39Å; R146-E202 IonicContact CZ-OE1 2.75Å; R146-E202 IonicContact CZ-OE2 3.34Å; R146-E202 IonicContact NE-OE1 2.76Å; R146-E202 PolarHBondContact NE-OE1 3.44Å; R146-E202 IonicContact NE-OE2 3.61Å; R146-E202 VanDerWaalsContact NH2-CD 3.31Å; R146-E202 IonicContact NH2-OE1 3.97Å; R146-E202 PolarHBondContact NH2-OE1 3.27Å; R146-E202 IonicContact NH2-OE2 3.92Å; R146-E202 PolarHBondContact NH2-OE2 3.25Å; G147-E202 WeakPolarHBondContact O-CB 3.36Å; G147-E202 PolarHBondContact O-N 3.24Å; P148-E202 CarbonylContact C-O 3.53Å; N149-E202 WeakPolarHBondContact CB-O 3.45Å; N149-E202 PolarHBondContact N-O 2.68Å; P178-E202 HydrophobicContact CG-CG 4.5Å; H200-E202 IonicContact CE1-OE1 3.52Å; H200-E202 WeakPolarHBondContact ND1-CG 3.45Å; H200-E202 IonicContact ND1-OE1 2.71Å; H200-E202 PolarHBondContact ND1-OE1 3.08Å; H200-E202 PolarHBondContact O-N 2.83Å; E202-Y207 HydrophobicContact CB-CE1 3.95Å; E202-Y207 VanDerWaalsContact OE2-CE1 3.28Å; E202-Y207 WeakPolarHBondContact OE2-CE1 3.28Å; E202-Y207 PolarHBondContact OE2-OH 3.48Å
203	S	98.4	Very high	98	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	18%	0.184	C	C	.	.			trans	-130.2	128.6	174.6	155.7	0	0	0	0	110.1	L205 L206 Y207 L245	S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact OG-N 2.89Å; S203-L206 PolarHBondContact O-N 3.38Å; S203-L206 WeakPolarHBondContact OG-CG 3.36Å; S203-L206 PolarHBondContact OG-N 2.93Å; S203-Y207 PolarHBondContact O-N 2.87Å; S203-L245 VanDerWaalsContact OG-CD1 3.28Å; S203-L245 WeakPolarHBondContact OG-CD1 3.34Å; S203-L245 VanDerWaalsContact OG-CG 3.22Å; S203-L245 WeakPolarHBondContact OG-CG 3.41Å
204	E	98.2	Very high	97.8	Very high	46 Å²	46	31.9 Å²	31.9	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-43.7	177.7	-173.9	-80.8	137.7	0	0	111.5	Y68 P148 S152 L206 Y207	Y68-E204 HydrophobicContact CD1-CG 3.69Å; Y68-E204 HydrophobicContact CE1-CG 3.38Å; P148-E204 HydrophobicContact CB-CB 3.9Å; S152-E204 WeakPolarHBondContact CB-OE2 3.06Å; S152-E204 PolarHBondContact OG-OE2 3.39Å; E204-L206 PolarHBondContact O-N 3.43Å; E204-L206 VanDerWaalsContact O-N 3.16Å; E204-Y207 HydrophobicContact CB-CD2 4.36Å; E204-Y207 HydrophobicContact CB-CE2 4.28Å; E204-Y207 HydrophobicContact CG-CD2 4.31Å; E204-Y207 HydrophobicContact CG-CE2 4.46Å; E204-Y207 WeakPolarHBondContact O-CB 3.41Å; E204-Y207 PolarHBondContact O-N 3.49Å; E204-Y207 VanDerWaalsContact O-N 3.1Å
205	L	97.3	Very high	97.6	Very high	66 Å²	66	35.9 Å²	35.9	35%	0.346	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-17.4	179	-64.9	178.6	0	0	0	113.7	A153 S203 Q209 L245	A153-L205 HydrophobicContact CB-CD2 4.48Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact OG-N 2.89Å; L205-Q209 PolarHBondContact O-NE2 3.37Å; L205-Q209 VanDerWaalsContact O-NE2 3.16Å; L205-L245 HydrophobicContact CB-CD1 4.17Å; L205-L245 HydrophobicContact CB-CD2 3.85Å; L205-L245 HydrophobicContact CD1-CD1 3.97Å
206	L	98.1	Very high	97.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-87.8	-25.1	175.4	-67.5	173.2	0	0	0	112.5	V36 Y179 S203 E204 G208 Q209 L245	V36-L206 VanDerWaalsContact CB-O 3.29Å; V36-L206 WeakPolarHBondContact CB-O 3.48Å; V36-L206 HydrophobicContact CG1-CB 4.41Å; V36-L206 HydrophobicContact CG2-CB 4.38Å; V36-L206 WeakPolarHBondContact CG2-O 3.39Å; Y179-L206 HydrophobicContact CD2-CD1 4.17Å; Y179-L206 HydrophobicContact CD2-CD2 4.16Å; Y179-L206 HydrophobicContact CE2-CD2 4.13Å; Y179-L206 WeakPolarHBondContact O-CD1 3.47Å; S203-L206 PolarHBondContact O-N 3.38Å; S203-L206 WeakPolarHBondContact OG-CG 3.36Å; S203-L206 PolarHBondContact OG-N 2.93Å; E204-L206 PolarHBondContact O-N 3.43Å; E204-L206 VanDerWaalsContact O-N 3.16Å; L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 3.06Å; L206-G208 VanDerWaalsContact O-N 3.11Å; L206-Q209 WeakPolarHBondContact O-CB 3.5Å; L206-Q209 PolarHBondContact O-N 3.11Å; L206-L245 HydrophobicContact CD1-CD2 4.15Å; L206-L245 HydrophobicContact CD1-CG 4.21Å; L206-L245 HydrophobicContact CD2-CD2 3.61Å; L206-L245 HydrophobicContact CG-CD2 3.55Å; L206-L245 HydrophobicContact CG-CG 4.11Å
207	Y	98.5	Very high	97.3	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-54	-39	-172.7	-70.8	-29.8	0	0	0	114.5	V36 R37 L40 Y68 V70 P148 E202 S203 E204	V36-Y207 HydrophobicContact CG1-CD1 4.3Å; R37-Y207 VanDerWaalsContact CB-O 3.28Å; R37-Y207 WeakPolarHBondContact CB-O 3.44Å; R37-Y207 PolarHBondContact N-O 3.37Å; R37-Y207 VanDerWaalsContact N-O 3.08Å; R37-Y207 PolarHBondContact NH1-O 3.19Å; L40-Y207 HydrophobicContact CD1-CD1 3.93Å; L40-Y207 HydrophobicContact CD1-CE1 3.6Å; Y68-Y207 HydrophobicContact CD1-CD2 4.38Å; Y68-Y207 HydrophobicContact CD1-CE2 4.36Å; Y68-Y207 HydrophobicContact CD2-CE2 4.23Å; Y68-Y207 HydrophobicContact CG-CD2 4.14Å; Y68-Y207 AromaticContact CG-CE2 3.82Å; Y68-Y207 HydrophobicContact CG-CE2 3.82Å; V70-Y207 HydrophobicContact CG2-CD1 4.21Å; V70-Y207 HydrophobicContact CG2-CD2 4.39Å; V70-Y207 HydrophobicContact CG2-CE1 3.93Å; V70-Y207 HydrophobicContact CG2-CE2 4.13Å; V70-Y207 HydrophobicContact CG2-CG 4.45Å; P148-Y207 HydrophobicContact CB-CE2 4.11Å; P148-Y207 WeakPolarHBondContact CD-OH 3.37Å; P148-Y207 HydrophobicContact CG-CE2 4.39Å; E202-Y207 HydrophobicContact CB-CE1 3.95Å; E202-Y207 VanDerWaalsContact OE2-CE1 3.28Å; E202-Y207 WeakPolarHBondContact OE2-CE1 3.28Å; E202-Y207 PolarHBondContact OE2-OH 3.48Å; S203-Y207 PolarHBondContact O-N 2.87Å; E204-Y207 HydrophobicContact CB-CD2 4.36Å; E204-Y207 HydrophobicContact CB-CE2 4.28Å; E204-Y207 HydrophobicContact CG-CD2 4.31Å; E204-Y207 HydrophobicContact CG-CE2 4.46Å; E204-Y207 WeakPolarHBondContact O-CB 3.41Å; E204-Y207 PolarHBondContact O-N 3.49Å; E204-Y207 VanDerWaalsContact O-N 3.1Å
208	G	97.7	Very high	97.2	Very high	50 Å²	50	39.6 Å²	39.6	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.5	178.7	0	0	0	0	0	114.8	L206	L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 3.06Å; L206-G208 VanDerWaalsContact O-N 3.11Å
209	Q	97.6	Very high	97	Very high	78 Å²	78	41.9 Å²	41.9	36%	0.364	24%	0.237	S	C	.	.			trans	-77.8	140.9	-177.7	-60	-169.1	17.9	0	0	110.7	T35 V36 L205 L206 F211	T35-Q209 CarbonylContact C-O 3.6Å; T35-Q209 VanDerWaalsContact CA-O 3.24Å; T35-Q209 WeakPolarHBondContact CA-O 3.28Å; V36-Q209 PolarHBondContact N-O 2.96Å; L205-Q209 PolarHBondContact O-NE2 3.37Å; L205-Q209 VanDerWaalsContact O-NE2 3.16Å; L206-Q209 WeakPolarHBondContact O-CB 3.5Å; L206-Q209 PolarHBondContact O-N 3.11Å; Q209-F211 HydrophobicContact CB-CE2 3.77Å; Q209-F211 HydrophobicContact CB-CZ 4.36Å
210	S	97.9	Very high	96.9	Very high	56 Å²	56	45 Å²	45	39%	0.392	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.5	-179.7	-56.8	0	0	0	0	111.5	M34	M34-S210 CarbonylContact O-C 3.55Å; M34-S210 WeakPolarHBondContact O-CA 3.44Å
211	F	97.5	Very high	96.8	Very high	40 Å²	40	50.2 Å²	50.2	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.4	176.8	-62.2	-97.1	0	0	0	109.9	K33 M34 V36 Y179 N180 C181 Q209	K33-F211 WeakPolarHBondContact CA-O 3.44Å; M34-F211 PolarHBondContact N-O 3.24Å; M34-F211 VanDerWaalsContact N-O 3.12Å; M34-F211 PolarHBondContact O-N 2.82Å; V36-F211 HydrophobicContact CG2-CD2 3.85Å; V36-F211 HydrophobicContact CG2-CE2 3.64Å; Y179-F211 HydrophobicContact CE1-CE1 4.2Å; Y179-F211 HydrophobicContact CE2-CE1 4.47Å; Y179-F211 HydrophobicContact CE2-CZ 4.16Å; Y179-F211 AromaticContact CZ-CE1 3.92Å; N180-F211 HydrophobicContact CB-CD1 3.67Å; N180-F211 HydrophobicContact CB-CD2 4.15Å; N180-F211 HydrophobicContact CB-CE1 3.76Å; N180-F211 HydrophobicContact CB-CE2 4.23Å; N180-F211 HydrophobicContact CB-CG 3.87Å; N180-F211 HydrophobicContact CB-CZ 4.05Å; C181-F211 HydrophobicContact CB-CB 4.15Å; Q209-F211 HydrophobicContact CB-CE2 3.77Å; Q209-F211 HydrophobicContact CB-CZ 4.36Å
212	D	95.9	Very high	96.8	Very high	125 Å²	125	51.3 Å²	51.3	67%	0.668	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.1	169	-62.2	-36.3	0	0	0	109
213	V	94.7	Very high	96.8	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	-177.8	-176	0	0	0	0	109.5	G31 T32 M34 C181 A217 L218	G31-V213 CarbonylContact C-O 3.56Å; G31-V213 WeakPolarHBondContact CA-O 3.48Å; T32-V213 PolarHBondContact N-O 3.42Å; T32-V213 PolarHBondContact O-N 3.34Å; M34-V213 HydrophobicContact CG-CG2 3.6Å; M34-V213 HydrophobicContact SD-CB 4.23Å; M34-V213 HydrophobicContact SD-CG1 4.3Å; M34-V213 HydrophobicContact SD-CG2 3.67Å; C181-V213 HydrophobicContact CB-CG2 3.46Å; C181-V213 VanDerWaalsContact CB-CG2 3.46Å; V213-A217 HydrophobicContact CG1-CB 3.49Å; V213-A217 VanDerWaalsContact CG1-CB 3.49Å; V213-L218 HydrophobicContact CB-CD2 4.37Å; V213-L218 HydrophobicContact CG1-CD2 3.89Å; V213-L218 HydrophobicContact CG1-CG 3.99Å
214	S	94.4	Very high	96.8	Very high	47 Å²	47	54.6 Å²	54.6	33%	0.329	31%	0.308	S	S	.	.			trans	-67.6	156.2	-179.8	66.6	0	0	0	0	111.8	E216 A217 L218	S214-E216 PolarHBondContact O-N 2.69Å; S214-A217 PolarHBondContact O-N 3.36Å; S214-A217 WeakPolarHBondContact OG-CB 3.32Å; S214-A217 PolarHBondContact OG-N 2.97Å; S214-A217 VanDerWaalsContact OG-N 3.15Å; S214-L218 WeakPolarHBondContact O-CG 3.22Å; S214-L218 PolarHBondContact O-N 2.79Å
215	D	94.3	Very high	96.8	Very high	109 Å²	109	55.5 Å²	55.5	58%	0.583	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34	174.5	-67.1	-22	0	0	0	112.2	L218 S219	D215-L218 PolarHBondContact O-N 3.42Å; D215-S219 PolarHBondContact O-N 2.95Å
216	E	95.1	Very high	96.9	Very high	146 Å²	146	54 Å²	54	68%	0.682	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-47.2	173.4	-177.8	177.6	-176.3	0	0	111.2	S214 L218 S219 F222	S214-E216 PolarHBondContact O-N 2.69Å; E216-L218 PolarHBondContact O-N 3.47Å; E216-S219 WeakPolarHBondContact O-CB 3.5Å; E216-S219 PolarHBondContact O-N 2.91Å; E216-S219 VanDerWaalsContact O-N 3.08Å; E216-F222 HydrophobicContact CG-CD2 4.12Å; E216-F222 HydrophobicContact CG-CE2 4.41Å; E216-F222 WeakPolarHBondContact O-CB 3.37Å
217	A	95.4	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.3	179.4	0	0	0	0	0	113.8	E182 R185 V213 S214 F222	E182-A217 HydrophobicContact CG-CB 4.13Å; R185-A217 PolarHBondContact NE-O 2.94Å; R185-A217 PolarHBondContact NH2-O 2.84Å; V213-A217 HydrophobicContact CG1-CB 3.49Å; V213-A217 VanDerWaalsContact CG1-CB 3.49Å; S214-A217 PolarHBondContact O-N 3.36Å; S214-A217 WeakPolarHBondContact OG-CB 3.32Å; S214-A217 PolarHBondContact OG-N 2.97Å; S214-A217 VanDerWaalsContact OG-N 3.15Å; A217-F222 HydrophobicContact CB-CD1 4.1Å; A217-F222 HydrophobicContact CB-CD2 4.39Å; A217-F222 HydrophobicContact CB-CE1 3.92Å; A217-F222 HydrophobicContact CB-CE2 4.23Å; A217-F222 HydrophobicContact CB-CG 4.33Å; A217-F222 HydrophobicContact CB-CZ 3.99Å
218	L	95.2	Very high	96.9	Very high	57 Å²	57	59.5 Å²	59.5	30%	0.298	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12	172.5	-66.2	172.7	0	0	0	113.4	M34 R185 V213 S214 D215 E216	M34-L218 HydrophobicContact SD-CD2 4.33Å; R185-L218 PolarHBondContact NH2-O 3.16Å; V213-L218 HydrophobicContact CB-CD2 4.37Å; V213-L218 HydrophobicContact CG1-CD2 3.89Å; V213-L218 HydrophobicContact CG1-CG 3.99Å; S214-L218 WeakPolarHBondContact O-CG 3.22Å; S214-L218 PolarHBondContact O-N 2.79Å; D215-L218 PolarHBondContact O-N 3.42Å; E216-L218 PolarHBondContact O-N 3.47Å
219	S	96.4	Very high	96.9	Very high	49 Å²	49	57.8 Å²	57.8	34%	0.343	32%	0.321	S	S	.	.	S	Bend	trans	-63	141.7	175.5	-179.7	0	0	0	0	111.9	D215 E216 D221 F222	D215-S219 PolarHBondContact O-N 2.95Å; E216-S219 WeakPolarHBondContact O-CB 3.5Å; E216-S219 PolarHBondContact O-N 2.91Å; E216-S219 VanDerWaalsContact O-N 3.08Å; S219-D221 PolarHBondContact O-N 2.94Å; S219-D221 PolarHBondContact OG-N 3.3Å; S219-D221 VanDerWaalsContact OG-N 3.16Å; S219-F222 VanDerWaalsContact O-CB 3.27Å; S219-F222 WeakPolarHBondContact O-CB 3.32Å; S219-F222 PolarHBondContact O-N 3.41Å; S219-F222 VanDerWaalsContact O-N 3.11Å
220	S	95.9	Very high	97	Very high	64 Å²	64	56.6 Å²	56.6	45%	0.448	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.2	170.8	55.2	0	0	0	0	113.4	K189 R193	K189-S220 VanDerWaalsContact CE-O 3.22Å; K189-S220 WeakPolarHBondContact CE-O 3.36Å; K189-S220 PolarHBondContact NZ-O 2.76Å; R193-S220 PolarHBondContact NH2-O 3.02Å; R193-S220 VanDerWaalsContact NH2-O 3.08Å
221	D	97.2	Very high	97	Very high	111 Å²	111	56.3 Å²	56.3	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	1.7	176.8	-66.8	-44.2	0	0	0	113.1	S219 L223	S219-D221 PolarHBondContact O-N 2.94Å; S219-D221 PolarHBondContact OG-N 3.3Å; S219-D221 VanDerWaalsContact OG-N 3.16Å; D221-L223 PolarHBondContact O-N 2.58Å
222	F	98.2	Very high	97.1	Very high	22 Å²	22	56.6 Å²	56.6	10%	0.096	31%	0.313	C	S	.	.			trans	-65	124.5	177	-176.7	-112.4	0	0	0	111.4	E182 K189 E216 A217 S219 I224	E182-F222 HydrophobicContact CG-CE1 3.82Å; E182-F222 HydrophobicContact CG-CZ 3.54Å; K189-F222 WeakPolarHBondContact CD-O 3.35Å; K189-F222 WeakPolarHBondContact CE-O 3.41Å; E216-F222 HydrophobicContact CG-CD2 4.12Å; E216-F222 HydrophobicContact CG-CE2 4.41Å; E216-F222 WeakPolarHBondContact O-CB 3.37Å; A217-F222 HydrophobicContact CB-CD1 4.1Å; A217-F222 HydrophobicContact CB-CD2 4.39Å; A217-F222 HydrophobicContact CB-CE1 3.92Å; A217-F222 HydrophobicContact CB-CE2 4.23Å; A217-F222 HydrophobicContact CB-CG 4.33Å; A217-F222 HydrophobicContact CB-CZ 3.99Å; S219-F222 VanDerWaalsContact O-CB 3.27Å; S219-F222 WeakPolarHBondContact O-CB 3.32Å; S219-F222 PolarHBondContact O-N 3.41Å; S219-F222 VanDerWaalsContact O-N 3.11Å; F222-I224 HydrophobicContact CE1-CD1 3.99Å; F222-I224 HydrophobicContact CE1-CG1 3.97Å; F222-I224 HydrophobicContact CZ-CD1 4.02Å; F222-I224 HydrophobicContact CZ-CG1 3.78Å
223	L	98.6	Very high	97.2	Very high	70 Å²	70	53.7 Å²	53.7	37%	0.366	29%	0.292	S	S	.	.			trans	-138.1	143	178.5	-64.2	178.5	0	0	0	109	K189 D221	K189-L223 HydrophobicContact CB-CD2 3.51Å; D221-L223 PolarHBondContact O-N 2.58Å
224	I	98.6	Very high	97.4	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	32%	0.321	C	S	.	.			trans	-108.7	123.5	169.8	-69	165.5	0	0	0	107.8	E182 G186 L187 S190 F222 I226	E182-I224 HydrophobicContact CG-CD1 4.3Å; E182-I224 WeakPolarHBondContact O-CD1 3.42Å; G186-I224 PolarHBondContact O-N 2.91Å; L187-I224 HydrophobicContact CD2-CB 3.94Å; L187-I224 HydrophobicContact CD2-CG2 3.59Å; L187-I224 HydrophobicContact CG-CB 4.2Å; L187-I224 HydrophobicContact CG-CD1 4.38Å; L187-I224 HydrophobicContact CG-CG2 4.14Å; S190-I224 WeakPolarHBondContact CB-O 3.38Å; S190-I224 PolarHBondContact OG-N 2.78Å; S190-I224 PolarHBondContact OG-O 3.4Å; F222-I224 HydrophobicContact CE1-CD1 3.99Å; F222-I224 HydrophobicContact CE1-CG1 3.97Å; F222-I224 HydrophobicContact CZ-CD1 4.02Å; F222-I224 HydrophobicContact CZ-CG1 3.78Å; I224-I226 PolarHBondContact O-N 3.47Å
225	P	98.5	Very high	97.6	Very high	65 Å²	65	58.1 Å²	58.1	42%	0.422	31%	0.31	S	S	.	.			trans	-58	128.1	177.8	-23.1	33.7	0	0	0	111.8	G227 Q228	P225-G227 PolarHBondContact O-N 3.43Å; P225-Q228 HydrophobicContact CB-CG 4Å; P225-Q228 PolarHBondContact O-N 3.29Å
226	I	98.7	Very high	97.8	Very high	35 Å²	35	59.5 Å²	59.5	18%	0.179	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	135.7	170.7	-64.9	176.7	0	0	0	108.7	K174 L176 D194 V198 I224	K174-I226 HydrophobicContact CB-CG2 4.25Å; K174-I226 HydrophobicContact CD-CD1 4.12Å; K174-I226 HydrophobicContact CD-CG2 4.22Å; K174-I226 HydrophobicContact CG-CG2 4.25Å; L176-I226 HydrophobicContact CD1-CD1 4.11Å; L176-I226 HydrophobicContact CD1-CG1 4.13Å; L176-I226 HydrophobicContact CD2-CB 4.41Å; L176-I226 HydrophobicContact CD2-CG1 4.05Å; L176-I226 HydrophobicContact CD2-CG2 3.88Å; D194-I226 HydrophobicContact CB-CD1 4.49Å; V198-I226 HydrophobicContact CG2-CD1 4.4Å; I224-I226 PolarHBondContact O-N 3.47Å
227	G	98.6	Very high	98	Very high	17 Å²	17	54.3 Å²	54.3	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	16.2	-177.1	0	0	0	0	0	114.9	P225 S271 P274 D276	P225-G227 PolarHBondContact O-N 3.43Å; G227-S271 PolarHBondContact N-OG 2.89Å; G227-P274 WeakPolarHBondContact CA-O 3.28Å; G227-D276 WeakPolarHBondContact O-CB 3.47Å
228	Q	98.6	Very high	98.1	Very high	102 Å²	102	54.3 Å²	54.3	48%	0.477	29%	0.288	S	S	.	.			trans	-117.9	123.4	172.9	-68.8	-172.9	5.6	0	0	111.6	P225 R270	P225-Q228 HydrophobicContact CB-CG 4Å; P225-Q228 PolarHBondContact O-N 3.29Å; Q228-R270 WeakPolarHBondContact O-CD 2.99Å
229	A	98.8	Very high	98.3	Very high	15 Å²	15	51.6 Å²	51.6	12%	0.124	27%	0.274	C	S	.	.			trans	-78.9	166.3	171.1	0	0	0	0	0	111	I267 N268 L269 D276 T279	A229-I267 HydrophobicContact CB-CG2 3.84Å; A229-N268 CarbonylContact C-O 3.56Å; A229-N268 VanDerWaalsContact CA-O 3.32Å; A229-N268 WeakPolarHBondContact CA-O 3.38Å; A229-N268 WeakPolarHBondContact CB-O 3.49Å; A229-L269 WeakPolarHBondContact CA-O 3.13Å; A229-D276 HydrophobicContact CB-CB 3.79Å; A229-D276 PolarHBondContact N-OD2 2.88Å; A229-T279 HydrophobicContact CB-CG2 4.13Å
230	K	98.7	Very high	98.4	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.7	172.4	176.7	172	173.3	-173.4	0	109.9	E182 E232 N268	E182-K230 IonicContact OE1-NZ 2.82Å; E182-K230 PolarHBondContact OE1-NZ 3.13Å; E182-K230 IonicContact OE2-NZ 3.48Å; K230-E232 WeakPolarHBondContact CE-OE2 3.41Å; K230-E232 IonicContact NZ-OE2 3.34Å; K230-E232 PolarHBondContact O-N 3.29Å; K230-N268 PolarHBondContact N-O 3.3Å; K230-N268 PolarHBondContact O-N 3.04Å
231	V	98.8	Very high	98.6	Very high	49 Å²	49	46.2 Å²	46.2	30%	0.297	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	103.5	164.2	-178.7	0	0	0	0	107.2	R233 E265 V266 I267 T279	V231-R233 WeakPolarHBondContact CG1-O 3.26Å; V231-E265 HydrophobicContact CG1-CG 4.05Å; V231-V266 CarbonylContact C-O 3.53Å; V231-I267 HydrophobicContact CG2-CG1 4.4Å; V231-T279 HydrophobicContact CG2-CG2 4.18Å
232	E	98.6	Very high	98.6	Very high	47 Å²	47	41 Å²	41	22%	0.22	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-28.5	179.7	-64	-69.1	-178.6	0	0	111.6	K230 V247 L251 V266 N268	K230-E232 WeakPolarHBondContact CE-OE2 3.41Å; K230-E232 IonicContact NZ-OE2 3.34Å; K230-E232 PolarHBondContact O-N 3.29Å; E232-V247 HydrophobicContact CG-CG1 4.02Å; E232-L251 HydrophobicContact CB-CD2 4.05Å; E232-V266 PolarHBondContact N-O 2.96Å; E232-N268 HydrophobicContact CG-CB 3.58Å; E232-N268 PolarHBondContact OE1-ND2 2.72Å
233	R	98.7	Very high	98.7	Very high	64 Å²	64	40.2 Å²	40.2	24%	0.242	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	125.5	179	-172.4	-175.4	-173.1	-76.6	-1.1	109.6	V231 L251 A264 E265 V266	V231-R233 WeakPolarHBondContact CG1-O 3.26Å; R233-L251 HydrophobicContact CB-CD2 3.98Å; R233-A264 PolarHBondContact NH1-O 3.38Å; R233-E265 CarbonylContact O-C 3.36Å; R233-E265 VanDerWaalsContact O-CA 3.25Å; R233-E265 WeakPolarHBondContact O-CA 3.47Å; R233-V266 HydrophobicContact CB-CB 4.08Å; R233-V266 HydrophobicContact CB-CG2 4.16Å; R233-V266 PolarHBondContact N-O 2.98Å; R233-V266 PolarHBondContact O-N 2.99Å
234	E	98.6	Very high	98.7	Very high	129 Å²	129	37.3 Å²	37.3	60%	0.603	19%	0.19	S	C	*	.			trans	-69.9	144.9	172.2	-72.7	-71.2	156.1	0	0	111.4	K286	E234-K286 IonicContact OE2-NZ 2.82Å; E234-K286 PolarHBondContact OE2-NZ 3.28Å
235	G	98.5	Very high	98.6	Very high	11 Å²	11	38.2 Å²	38.2	11%	0.113	20%	0.195	C	C	.	.			trans	-158.8	174.5	174	0	0	0	0	0	112.4	E265 K286	G235-E265 PolarHBondContact N-OE2 3.48Å; G235-K286 VanDerWaalsContact O-CE 3.25Å; G235-K286 WeakPolarHBondContact O-CE 3.46Å
236	K	98.3	Very high	98.6	Very high	139 Å²	139	35.1 Å²	35.1	60%	0.604	18%	0.175	S	C	*	.	S	Bend	trans	-135.2	-11.2	-178.3	61.8	172.9	-174.4	-175.9	0	114.2	T263 T287	K236-T263 WeakPolarHBondContact CG-OG1 3.48Å; K236-T263 PolarHBondContact N-O 2.94Å; K236-T263 VanDerWaalsContact N-O 3.16Å; K236-T263 PolarHBondContact N-OG1 3.08Å; K236-T287 WeakPolarHBondContact O-CA 3.11Å
237	D	98.4	Very high	98.6	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.193	17%	0.167	C	C	.	.	S	Bend	trans	-102.9	-23.3	-169.6	-59.5	-58.6	0	0	0	113.2	I262 T263 Y289 K358	D237-I262 HydrophobicContact CB-CG2 3.84Å; D237-T263 PolarHBondContact N-O 2.94Å; D237-T263 WeakPolarHBondContact OD2-CA 3.44Å; D237-T263 WeakPolarHBondContact OD2-CB 3.46Å; D237-T263 PolarHBondContact OD2-N 3.03Å; D237-T263 PolarHBondContact OD2-OG1 3.32Å; D237-Y289 VanDerWaalsContact O-CD2 3.28Å; D237-Y289 WeakPolarHBondContact O-CD2 3.45Å; D237-K358 PolarHBondContact O-NZ 3.27Å
238	V	98.7	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	144.9	175.6	60.9	0	0	0	0	110	L240 I262 A264 E265 V291 V354	V238-L240 HydrophobicContact CG2-CD2 4.35Å; V238-I262 HydrophobicContact CG1-CG2 4.4Å; V238-A264 HydrophobicContact CG1-CB 3.68Å; V238-A264 CarbonylContact O-C 3.56Å; V238-A264 WeakPolarHBondContact O-CA 3.29Å; V238-E265 PolarHBondContact O-N 3.21Å; V238-V291 HydrophobicContact CG2-CG2 4.37Å; V238-V354 HydrophobicContact CB-CG1 4.42Å; V238-V354 HydrophobicContact CG1-CG1 3.88Å; V238-V354 HydrophobicContact CG1-CG2 4.28Å; V238-V354 HydrophobicContact CG2-CG2 4.31Å
239	T	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.9	169.2	-57.9	0	0	0	0	110	V241 I267 S283 T287 Y289 L290 V291	T239-V241 HydrophobicContact CG2-CG2 3.81Å; T239-I267 HydrophobicContact CG2-CD1 3.68Å; T239-I267 HydrophobicContact CG2-CG1 4.3Å; T239-S283 WeakPolarHBondContact CB-OG 3.16Å; T239-S283 WeakPolarHBondContact CG2-OG 3.43Å; T239-S283 PolarHBondContact OG1-O 3.15Å; T239-S283 PolarHBondContact OG1-OG 3.28Å; T239-T287 PolarHBondContact N-OG1 2.76Å; T239-T287 WeakPolarHBondContact OG1-CG2 3.46Å; T239-T287 PolarHBondContact OG1-OG1 2.75Å; T239-Y289 WeakPolarHBondContact CB-O 3.34Å; T239-Y289 PolarHBondContact N-O 2.96Å; T239-L290 HydrophobicContact CG2-CD1 3.86Å; T239-L290 WeakPolarHBondContact O-CA 3.47Å; T239-V291 PolarHBondContact O-N 2.97Å
240	L	98.9	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.6	169.7	-58.7	-176.8	0	0	0	108.6	V238 C250 A264 E265 V266 I267 V291 I350 V354	V238-L240 HydrophobicContact CG2-CD2 4.35Å; L240-C250 HydrophobicContact CB-CB 4.33Å; L240-C250 HydrophobicContact CD1-CB 4.23Å; L240-A264 HydrophobicContact CD1-CB 3.82Å; L240-A264 HydrophobicContact CG-CB 4.06Å; L240-E265 PolarHBondContact N-O 3.12Å; L240-V266 HydrophobicContact CB-CG2 4.41Å; L240-V266 HydrophobicContact CD1-CG2 4.34Å; L240-V266 WeakPolarHBondContact O-CA 3.46Å; L240-I267 PolarHBondContact O-N 3.22Å; L240-V291 WeakPolarHBondContact CA-O 3.32Å; L240-V291 HydrophobicContact CD2-CB 3.75Å; L240-V291 HydrophobicContact CD2-CG1 4.35Å; L240-V291 HydrophobicContact CD2-CG2 4.41Å; L240-I350 HydrophobicContact CD1-CG2 4.02Å; L240-I350 HydrophobicContact CD2-CG2 4.15Å; L240-V354 HydrophobicContact CD2-CG2 3.78Å
241	V	98.9	Very high	98.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	179.3	-176.4	0	0	0	0	109.7	T239 I267 L269 I280 L290 V291 T292 V293 I306	T239-V241 HydrophobicContact CG2-CG2 3.81Å; V241-I267 HydrophobicContact CG1-CG2 4.48Å; V241-I267 HydrophobicContact CG2-CB 4.21Å; V241-I267 HydrophobicContact CG2-CD1 4.23Å; V241-L269 HydrophobicContact CG1-CD1 4.11Å; V241-L269 HydrophobicContact CG1-CD2 3.39Å; V241-L269 HydrophobicContact CG1-CG 3.67Å; V241-I280 HydrophobicContact CG1-CD1 4.1Å; V241-I280 HydrophobicContact CG1-CG1 4.28Å; V241-I280 HydrophobicContact CG2-CG1 4.21Å; V241-I280 HydrophobicContact CG2-CG2 4.07Å; V241-L290 HydrophobicContact CB-CD1 4.44Å; V241-L290 HydrophobicContact CG2-CD1 3.56Å; V241-V291 PolarHBondContact N-O 3.3Å; V241-T292 WeakPolarHBondContact O-CA 3.44Å; V241-V293 PolarHBondContact O-N 3.36Å; V241-I306 HydrophobicContact CG1-CD1 3.83Å
242	S	98.8	Very high	98.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	178.8	179.3	-160.1	0	0	0	0	112.5	G246 V247 I267 L269 V293	S242-G246 WeakPolarHBondContact OG-CA 3.18Å; S242-G246 PolarHBondContact OG-O 2.93Å; S242-V247 PolarHBondContact OG-N 3.46Å; S242-I267 PolarHBondContact N-O 3.5Å; S242-L269 WeakPolarHBondContact O-CG 3.5Å; S242-L269 PolarHBondContact O-N 3.01Å; S242-V293 WeakPolarHBondContact CA-O 3.42Å; S242-V293 VanDerWaalsContact CB-O 3.32Å; S242-V293 WeakPolarHBondContact CB-O 3.33Å; S242-V293 PolarHBondContact OG-O 3.04Å
243	Y	98.8	Very high	98.5	Very high	6 Å²	6	26.7 Å²	26.7	2%	0.024	14%	0.142	C	C	.	.			trans	-147.6	162.8	177.5	62	-92.8	0	0	0	110.1	D162 A177 L245 G246 L269 L272 E294 I302	D162-Y243 WeakPolarHBondContact OD2-CE2 3.32Å; D162-Y243 PolarHBondContact OD2-OH 3.21Å; A177-Y243 HydrophobicContact CB-CD2 3.68Å; A177-Y243 HydrophobicContact CB-CG 4.26Å; Y243-L245 PolarHBondContact O-N 3.02Å; Y243-G246 PolarHBondContact O-N 3.09Å; Y243-L269 HydrophobicContact CD1-CD1 3.99Å; Y243-L272 HydrophobicContact CD1-CD2 3.69Å; Y243-L272 HydrophobicContact CD2-CD1 4.36Å; Y243-L272 HydrophobicContact CD2-CD2 4.22Å; Y243-L272 HydrophobicContact CE1-CD2 4.2Å; Y243-L272 HydrophobicContact CE2-CD1 4.29Å; Y243-L272 HydrophobicContact CG-CD2 3.7Å; Y243-E294 HydrophobicContact CE1-CB 3.64Å; Y243-I302 HydrophobicContact CD1-CG2 4.42Å; Y243-I302 HydrophobicContact CE1-CB 3.87Å; Y243-I302 HydrophobicContact CE1-CG1 3.87Å; Y243-I302 HydrophobicContact CE1-CG2 4.12Å
244	S	98.5	Very high	98.5	Very high	8 Å²	8	23.7 Å²	23.7	6%	0.056	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-134	179.9	-172.2	0	0	0	0	112.2	A177 P178 Y179 G246 V247	A177-S244 PolarHBondContact O-N 2.73Å; P178-S244 WeakPolarHBondContact O-CA 3.37Å; Y179-S244 WeakPolarHBondContact CD2-O 3.49Å; S244-G246 VanDerWaalsContact C-N 3.26Å; S244-G246 PolarHBondContact O-N 3.33Å; S244-V247 PolarHBondContact O-N 3.22Å
245	L	96.7	Very high	98.5	Very high	25 Å²	25	22.3 Å²	22.3	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-53.6	-38	-179.5	-76.2	166.3	0	0	0	114.2	C151 S203 L205 L206 Y243 V247 G248 T249	C151-L245 WeakPolarHBondContact SG-CD1 3.44Å; S203-L245 VanDerWaalsContact OG-CD1 3.28Å; S203-L245 WeakPolarHBondContact OG-CD1 3.34Å; S203-L245 VanDerWaalsContact OG-CG 3.22Å; S203-L245 WeakPolarHBondContact OG-CG 3.41Å; L205-L245 HydrophobicContact CB-CD1 4.17Å; L205-L245 HydrophobicContact CB-CD2 3.85Å; L205-L245 HydrophobicContact CD1-CD1 3.97Å; L206-L245 HydrophobicContact CD1-CD2 4.15Å; L206-L245 HydrophobicContact CD1-CG 4.21Å; L206-L245 HydrophobicContact CD2-CD2 3.61Å; L206-L245 HydrophobicContact CG-CD2 3.55Å; L206-L245 HydrophobicContact CG-CG 4.11Å; Y243-L245 PolarHBondContact O-N 3.02Å; L245-V247 PolarHBondContact O-N 3.13Å; L245-V247 VanDerWaalsContact O-N 3.16Å; L245-G248 PolarHBondContact O-N 3.32Å; L245-T249 PolarHBondContact O-N 2.78Å
246	G	98.1	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-24	-175.8	0	0	0	0	0	113.4	S242 Y243 S244 G248 T249 C250 N295	S242-G246 WeakPolarHBondContact OG-CA 3.18Å; S242-G246 PolarHBondContact OG-O 2.93Å; Y243-G246 PolarHBondContact O-N 3.09Å; S244-G246 VanDerWaalsContact C-N 3.26Å; S244-G246 PolarHBondContact O-N 3.33Å; G246-G248 PolarHBondContact O-N 3.41Å; G246-T249 PolarHBondContact O-N 2.95Å; G246-C250 PolarHBondContact O-N 3.29Å; G246-C250 PolarHBondContact O-SG 3.08Å; G246-N295 PolarHBondContact N-OD1 3.38Å
247	V	98.7	Very high	98.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-44.8	173.9	-179.4	0	0	0	0	110.7	Y179 E232 S242 S244 L245 T249 C250 L251 N268	Y179-V247 HydrophobicContact CD1-CB 3.71Å; Y179-V247 HydrophobicContact CD1-CG1 3.36Å; Y179-V247 HydrophobicContact CD2-CB 3.98Å; Y179-V247 HydrophobicContact CD2-CG1 4.5Å; Y179-V247 HydrophobicContact CE1-CB 4.13Å; Y179-V247 HydrophobicContact CE1-CG1 3.64Å; Y179-V247 HydrophobicContact CE2-CB 4.39Å; Y179-V247 HydrophobicContact CG-CB 3.63Å; Y179-V247 HydrophobicContact CG-CG1 3.85Å; Y179-V247 HydrophobicContact CG-CG2 4.23Å; E232-V247 HydrophobicContact CG-CG1 4.02Å; S242-V247 PolarHBondContact OG-N 3.46Å; S244-V247 PolarHBondContact O-N 3.22Å; L245-V247 PolarHBondContact O-N 3.13Å; L245-V247 VanDerWaalsContact O-N 3.16Å; V247-T249 VanDerWaalsContact C-N 3.34Å; V247-T249 PolarHBondContact O-N 3.39Å; V247-C250 WeakPolarHBondContact O-CB 3.46Å; V247-C250 PolarHBondContact O-N 2.71Å; V247-L251 HydrophobicContact CG1-CD1 4.26Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.25Å; V247-N268 HydrophobicContact CG1-CB 4.04Å; V247-N268 HydrophobicContact CG2-CB 3.93Å
248	G	98.2	Very high	98.5	Very high	21 Å²	21	19.4 Å²	19.4	22%	0.216	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-41.8	176.6	0	0	0	0	0	112.3	Y179 L245 G246 C250 L251 A252	Y179-G248 VanDerWaalsContact OH-CA 3.3Å; Y179-G248 WeakPolarHBondContact OH-CA 3.34Å; L245-G248 PolarHBondContact O-N 3.32Å; G246-G248 PolarHBondContact O-N 3.41Å; G248-C250 VanDerWaalsContact C-N 3.34Å; G248-C250 PolarHBondContact O-N 3.32Å; G248-L251 PolarHBondContact O-N 2.98Å; G248-A252 PolarHBondContact O-N 3.16Å
249	T	98.2	Very high	98.4	Very high	29 Å²	29	26.5 Å²	26.5	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-38.9	175.5	-44.4	0	0	0	0	111.5	L245 G246 V247 A252 A253 D346 I350	L245-T249 PolarHBondContact O-N 2.78Å; G246-T249 PolarHBondContact O-N 2.95Å; V247-T249 VanDerWaalsContact C-N 3.34Å; V247-T249 PolarHBondContact O-N 3.39Å; T249-A252 PolarHBondContact O-N 3.08Å; T249-A253 WeakPolarHBondContact O-CB 3.5Å; T249-A253 PolarHBondContact O-N 3.31Å; T249-D346 VanDerWaalsContact CG2-C 3.48Å; T249-I350 HydrophobicContact CG2-CD1 3.54Å
250	C	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-40.9	174.7	-68.8	0	0	0	0	112.6	L240 G246 V247 G248 A253 A254 V266 V293	L240-C250 HydrophobicContact CB-CB 4.33Å; L240-C250 HydrophobicContact CD1-CB 4.23Å; G246-C250 PolarHBondContact O-N 3.29Å; G246-C250 PolarHBondContact O-SG 3.08Å; V247-C250 WeakPolarHBondContact O-CB 3.46Å; V247-C250 PolarHBondContact O-N 2.71Å; G248-C250 VanDerWaalsContact C-N 3.34Å; G248-C250 PolarHBondContact O-N 3.32Å; C250-A253 PolarHBondContact O-N 3.23Å; C250-A254 WeakPolarHBondContact O-CB 3.41Å; C250-A254 PolarHBondContact O-N 3.22Å; C250-V266 HydrophobicContact CB-CG1 3.7Å; C250-V266 HydrophobicContact CB-CG2 4.34Å; C250-V293 VanDerWaalsContact SG-CG2 3.56Å
251	L	98.7	Very high	98.1	Very high	49 Å²	49	34 Å²	34	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-42.4	176.3	-72.2	170.3	0	0	0	111.5	Y179 E232 R233 V247 G248 A254 E255 V266	Y179-L251 HydrophobicContact CE1-CD1 3.89Å; E232-L251 HydrophobicContact CB-CD2 4.05Å; R233-L251 HydrophobicContact CB-CD2 3.98Å; V247-L251 HydrophobicContact CG1-CD1 4.26Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.25Å; G248-L251 PolarHBondContact O-N 2.98Å; L251-A254 PolarHBondContact O-N 3.08Å; L251-E255 PolarHBondContact O-N 2.74Å; L251-E255 VanDerWaalsContact O-N 3.08Å; L251-V266 HydrophobicContact CD2-CB 4.12Å; L251-V266 HydrophobicContact CD2-CG1 4.13Å; L251-V266 HydrophobicContact CD2-CG2 4.22Å; L251-V266 HydrophobicContact CG-CG1 4.25Å
252	A	98.5	Very high	98.1	Very high	42 Å²	42	34.4 Å²	34.4	35%	0.347	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-42.4	173.5	0	0	0	0	0	111.9	G248 T249 E255 E256 T347	G248-A252 PolarHBondContact O-N 3.16Å; T249-A252 PolarHBondContact O-N 3.08Å; A252-E255 WeakPolarHBondContact O-CB 3.43Å; A252-E255 PolarHBondContact O-N 3.11Å; A252-E256 PolarHBondContact O-N 3.06Å; A252-E256 VanDerWaalsContact O-N 3.11Å; A252-T347 HydrophobicContact CB-CG2 4.29Å
253	A	98.7	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-39.2	176.5	0	0	0	0	0	112.3	T249 C250 E255 E256 L257 T347 I350 V351	T249-A253 WeakPolarHBondContact O-CB 3.5Å; T249-A253 PolarHBondContact O-N 3.31Å; C250-A253 PolarHBondContact O-N 3.23Å; A253-E255 VanDerWaalsContact C-N 3.29Å; A253-E255 PolarHBondContact O-N 3.34Å; A253-E256 PolarHBondContact O-N 3.39Å; A253-L257 WeakPolarHBondContact O-CB 3.49Å; A253-L257 VanDerWaalsContact O-CG 3.24Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.08Å; A253-T347 HydrophobicContact CB-CG2 3.98Å; A253-I350 HydrophobicContact CB-CB 3.76Å; A253-I350 HydrophobicContact CB-CD1 4.2Å; A253-I350 HydrophobicContact CB-CG2 3.58Å; A253-V351 HydrophobicContact CB-CG2 4.05Å
254	A	98.7	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-36.7	175.4	0	0	0	0	0	112.1	C250 L251 S258 A264 V266	C250-A254 WeakPolarHBondContact O-CB 3.41Å; C250-A254 PolarHBondContact O-N 3.22Å; L251-A254 PolarHBondContact O-N 3.08Å; A254-S258 WeakPolarHBondContact O-CB 3.19Å; A254-S258 PolarHBondContact O-N 3.49Å; A254-A264 HydrophobicContact CB-CB 3.86Å; A254-V266 HydrophobicContact CB-CG2 3.84Å
255	E	98.5	Very high	98	Very high	100 Å²	100	35.9 Å²	35.9	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-43.7	173.3	-179	55.8	-150.6	0	0	111.7	L251 A252 A253 S258	L251-E255 PolarHBondContact O-N 2.74Å; L251-E255 VanDerWaalsContact O-N 3.08Å; A252-E255 WeakPolarHBondContact O-CB 3.43Å; A252-E255 PolarHBondContact O-N 3.11Å; A253-E255 VanDerWaalsContact C-N 3.29Å; A253-E255 PolarHBondContact O-N 3.34Å; E255-S258 PolarHBondContact O-N 3.28Å; E255-S258 PolarHBondContact O-OG 2.95Å
256	E	98.1	Very high	98.2	Very high	86 Å²	86	34.7 Å²	34.7	40%	0.402	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-43	175	-70.5	-168.4	179.5	0	0	113.2	A252 A253 S258 K259 T347 V351	A252-E256 PolarHBondContact O-N 3.06Å; A252-E256 VanDerWaalsContact O-N 3.11Å; A253-E256 PolarHBondContact O-N 3.39Å; E256-S258 VanDerWaalsContact C-N 3.25Å; E256-S258 PolarHBondContact O-N 3.02Å; E256-K259 WeakPolarHBondContact O-CB 3.03Å; E256-K259 PolarHBondContact O-N 2.83Å; E256-T347 VanDerWaalsContact CD-CG2 3.44Å; E256-T347 HydrophobicContact CG-CG2 4.1Å; E256-T347 WeakPolarHBondContact OE2-CG2 3.33Å; E256-V351 HydrophobicContact CB-CG2 4.01Å
257	L	98.2	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-36	175.4	-74	166.7	0	0	0	111.9	A253 K259 L260 G261 I262 A264 V351 V354	A253-L257 WeakPolarHBondContact O-CB 3.49Å; A253-L257 VanDerWaalsContact O-CG 3.24Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.08Å; L257-K259 PolarHBondContact O-N 3.31Å; L257-L260 CarbonylContact O-C 3.58Å; L257-L260 WeakPolarHBondContact O-CA 3.37Å; L257-L260 WeakPolarHBondContact O-CB 3.06Å; L257-L260 PolarHBondContact O-N 2.86Å; L257-G261 PolarHBondContact O-N 3.45Å; L257-I262 CarbonylContact C-O 3.57Å; L257-I262 HydrophobicContact CB-CB 4.1Å; L257-I262 HydrophobicContact CB-CG2 4.29Å; L257-I262 HydrophobicContact CD2-CB 4.35Å; L257-I262 HydrophobicContact CD2-CD1 4.08Å; L257-I262 HydrophobicContact CD2-CG2 4.3Å; L257-I262 PolarHBondContact O-N 3.42Å; L257-I262 VanDerWaalsContact O-O 3.11Å; L257-A264 HydrophobicContact CD1-CB 4.1Å; L257-V351 HydrophobicContact CD2-CG1 4.07Å; L257-V351 HydrophobicContact CG-CG2 4.21Å; L257-V354 HydrophobicContact CD1-CB 4.12Å; L257-V354 HydrophobicContact CD1-CG1 3.93Å; L257-V354 HydrophobicContact CD1-CG2 3.96Å; L257-V354 HydrophobicContact CD2-CB 4.09Å; L257-V354 HydrophobicContact CD2-CG1 3.73Å
258	S	97.8	Very high	98.2	Very high	39 Å²	39	34.7 Å²	34.7	27%	0.273	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-32.8	179.3	82.2	0	0	0	0	112.6	A254 E255 E256 L260 G261 I262	A254-S258 WeakPolarHBondContact O-CB 3.19Å; A254-S258 PolarHBondContact O-N 3.49Å; E255-S258 PolarHBondContact O-N 3.28Å; E255-S258 PolarHBondContact O-OG 2.95Å; E256-S258 VanDerWaalsContact C-N 3.25Å; E256-S258 PolarHBondContact O-N 3.02Å; S258-L260 PolarHBondContact O-N 3.05Å; S258-G261 PolarHBondContact O-N 3.14Å; S258-I262 VanDerWaalsContact CA-O 3.3Å; S258-I262 WeakPolarHBondContact CA-O 3.27Å; S258-I262 PolarHBondContact N-O 3.12Å; S258-I262 VanDerWaalsContact N-O 3.14Å
259	K	97	Very high	98.2	Very high	149 Å²	149	33.8 Å²	33.8	65%	0.648	19%	0.192	S	C	*	.	H	α-helix	trans	-68	-20.5	175.6	-59.1	168	-171	166.9	0	112.4	E256 L257	E256-K259 WeakPolarHBondContact O-CB 3.03Å; E256-K259 PolarHBondContact O-N 2.83Å; L257-K259 PolarHBondContact O-N 3.31Å
260	L	95.3	Very high	98.3	Very high	97 Å²	97	33.3 Å²	33.3	51%	0.508	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.1	173.6	-55.3	177.8	0	0	0	112.5	L257 S258 I262	L257-L260 CarbonylContact O-C 3.58Å; L257-L260 WeakPolarHBondContact O-CA 3.37Å; L257-L260 WeakPolarHBondContact O-CB 3.06Å; L257-L260 PolarHBondContact O-N 2.86Å; S258-L260 PolarHBondContact O-N 3.05Å; L260-I262 VanDerWaalsContact C-N 3.32Å
261	G	96.8	Very high	98.3	Very high	61 Å²	61	33.3 Å²	33.3	63%	0.629	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	13.7	-176.9	0	0	0	0	0	114.5	L257 S258	L257-G261 PolarHBondContact O-N 3.45Å; S258-G261 PolarHBondContact O-N 3.14Å
262	I	98	Very high	98.3	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.046	18%	0.178	C	C	.	.			trans	-103.5	122.6	177.7	-58.9	168.7	0	0	0	108.8	D237 V238 L257 S258 L260 V354 K358 I360	D237-I262 HydrophobicContact CB-CG2 3.84Å; V238-I262 HydrophobicContact CG1-CG2 4.4Å; L257-I262 CarbonylContact C-O 3.57Å; L257-I262 HydrophobicContact CB-CB 4.1Å; L257-I262 HydrophobicContact CB-CG2 4.29Å; L257-I262 HydrophobicContact CD2-CB 4.35Å; L257-I262 HydrophobicContact CD2-CD1 4.08Å; L257-I262 HydrophobicContact CD2-CG2 4.3Å; L257-I262 PolarHBondContact O-N 3.42Å; L257-I262 VanDerWaalsContact O-O 3.11Å; S258-I262 VanDerWaalsContact CA-O 3.3Å; S258-I262 WeakPolarHBondContact CA-O 3.27Å; S258-I262 PolarHBondContact N-O 3.12Å; S258-I262 VanDerWaalsContact N-O 3.14Å; L260-I262 VanDerWaalsContact C-N 3.32Å; I262-V354 HydrophobicContact CG2-CG1 4.35Å; I262-K358 HydrophobicContact CD1-CD 4.47Å; I262-K358 HydrophobicContact CG2-CD 4.1Å; I262-I360 HydrophobicContact CD1-CD1 3.67Å; I262-I360 HydrophobicContact CG1-CD1 4.29Å
263	T	98.2	Very high	98.3	Very high	43 Å²	43	33 Å²	33	26%	0.264	18%	0.175	S	C	.	.			trans	-104	104.7	178.9	59.7	0	0	0	0	111	K236 D237	K236-T263 WeakPolarHBondContact CG-OG1 3.48Å; K236-T263 PolarHBondContact N-O 2.94Å; K236-T263 VanDerWaalsContact N-O 3.16Å; K236-T263 PolarHBondContact N-OG1 3.08Å; D237-T263 PolarHBondContact N-O 2.94Å; D237-T263 WeakPolarHBondContact OD2-CA 3.44Å; D237-T263 WeakPolarHBondContact OD2-CB 3.46Å; D237-T263 PolarHBondContact OD2-N 3.03Å; D237-T263 PolarHBondContact OD2-OG1 3.32Å
264	A	98.8	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.9	176.5	0	0	0	0	0	111.6	R233 V238 L240 A254 L257	R233-A264 PolarHBondContact NH1-O 3.38Å; V238-A264 HydrophobicContact CG1-CB 3.68Å; V238-A264 CarbonylContact O-C 3.56Å; V238-A264 WeakPolarHBondContact O-CA 3.29Å; L240-A264 HydrophobicContact CD1-CB 3.82Å; L240-A264 HydrophobicContact CG-CB 4.06Å; A254-A264 HydrophobicContact CB-CB 3.86Å; L257-A264 HydrophobicContact CD1-CB 4.1Å
265	E	98.9	Very high	98.3	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.1	163.7	177.9	138.2	103.5	0	0	108.7	V231 R233 G235 V238 L240 I267 S283 K286 T287	V231-E265 HydrophobicContact CG1-CG 4.05Å; R233-E265 CarbonylContact O-C 3.36Å; R233-E265 VanDerWaalsContact O-CA 3.25Å; R233-E265 WeakPolarHBondContact O-CA 3.47Å; G235-E265 PolarHBondContact N-OE2 3.48Å; V238-E265 PolarHBondContact O-N 3.21Å; L240-E265 PolarHBondContact N-O 3.12Å; E265-I267 HydrophobicContact CG-CG1 4.35Å; E265-S283 VanDerWaalsContact CD-OG 3.32Å; E265-S283 WeakPolarHBondContact CG-OG 3.38Å; E265-S283 WeakPolarHBondContact OE1-CB 3.48Å; E265-S283 PolarHBondContact OE1-OG 3.02Å; E265-K286 VanDerWaalsContact OE1-CE 3.24Å; E265-K286 WeakPolarHBondContact OE1-CE 3.35Å; E265-K286 IonicContact OE1-NZ 2.61Å; E265-K286 PolarHBondContact OE1-NZ 3.26Å; E265-K286 WeakPolarHBondContact OE2-CE 3.48Å; E265-K286 IonicContact OE2-NZ 2.95Å; E265-K286 PolarHBondContact OE2-NZ 2.82Å; E265-T287 HydrophobicContact CB-CG2 4.29Å
266	V	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	-179.3	-177.3	0	0	0	0	109.6	V231 E232 R233 L240 C250 L251 A254	V231-V266 CarbonylContact C-O 3.53Å; E232-V266 PolarHBondContact N-O 2.96Å; R233-V266 HydrophobicContact CB-CB 4.08Å; R233-V266 HydrophobicContact CB-CG2 4.16Å; R233-V266 PolarHBondContact N-O 2.98Å; R233-V266 PolarHBondContact O-N 2.99Å; L240-V266 HydrophobicContact CB-CG2 4.41Å; L240-V266 HydrophobicContact CD1-CG2 4.34Å; L240-V266 WeakPolarHBondContact O-CA 3.46Å; C250-V266 HydrophobicContact CB-CG1 3.7Å; C250-V266 HydrophobicContact CB-CG2 4.34Å; L251-V266 HydrophobicContact CD2-CB 4.12Å; L251-V266 HydrophobicContact CD2-CG1 4.13Å; L251-V266 HydrophobicContact CD2-CG2 4.22Å; L251-V266 HydrophobicContact CG-CG1 4.25Å; A254-V266 HydrophobicContact CB-CG2 3.84Å
267	I	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.5	178	-60.8	177.8	0	0	0	109.1	A229 V231 T239 L240 V241 S242 E265 T279	A229-I267 HydrophobicContact CB-CG2 3.84Å; V231-I267 HydrophobicContact CG2-CG1 4.4Å; T239-I267 HydrophobicContact CG2-CD1 3.68Å; T239-I267 HydrophobicContact CG2-CG1 4.3Å; L240-I267 PolarHBondContact O-N 3.22Å; V241-I267 HydrophobicContact CG1-CG2 4.48Å; V241-I267 HydrophobicContact CG2-CB 4.21Å; V241-I267 HydrophobicContact CG2-CD1 4.23Å; S242-I267 PolarHBondContact N-O 3.5Å; E265-I267 HydrophobicContact CG-CG1 4.35Å; I267-T279 HydrophobicContact CD1-CG2 4.23Å; I267-T279 HydrophobicContact CG2-CG2 4.36Å
268	N	98.9	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.8	166.6	173.9	5.2	0	0	0	108.8	D183 A229 K230 E232 V247 R270	D183-N268 PolarHBondContact OD2-ND2 3.24Å; A229-N268 CarbonylContact C-O 3.56Å; A229-N268 VanDerWaalsContact CA-O 3.32Å; A229-N268 WeakPolarHBondContact CA-O 3.38Å; A229-N268 WeakPolarHBondContact CB-O 3.49Å; K230-N268 PolarHBondContact N-O 3.3Å; K230-N268 PolarHBondContact O-N 3.04Å; E232-N268 HydrophobicContact CG-CB 3.58Å; E232-N268 PolarHBondContact OE1-ND2 2.72Å; V247-N268 HydrophobicContact CG1-CB 4.04Å; V247-N268 HydrophobicContact CG2-CB 3.93Å; N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 PolarHBondContact OD1-N 2.94Å
269	L	98.9	Very high	98.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.197	C	C	.	.			trans	-60.3	-36.6	-175.7	-70.8	176.9	0	0	0	112.9	A229 V241 S242 Y243 S271 L272 M275 I280 I302 I306	A229-L269 WeakPolarHBondContact CA-O 3.13Å; V241-L269 HydrophobicContact CG1-CD1 4.11Å; V241-L269 HydrophobicContact CG1-CD2 3.39Å; V241-L269 HydrophobicContact CG1-CG 3.67Å; S242-L269 WeakPolarHBondContact O-CG 3.5Å; S242-L269 PolarHBondContact O-N 3.01Å; Y243-L269 HydrophobicContact CD1-CD1 3.99Å; L269-S271 PolarHBondContact O-N 3.05Å; L269-L272 HydrophobicContact CB-CD2 4.4Å; L269-L272 HydrophobicContact CD1-CD2 3.86Å; L269-M275 HydrophobicContact CD1-SD 4.19Å; L269-M275 HydrophobicContact CD2-CG 4.03Å; L269-M275 HydrophobicContact CD2-SD 4.09Å; L269-I280 HydrophobicContact CD2-CD1 3.71Å; L269-I280 HydrophobicContact CD2-CG1 4.32Å; L269-I302 HydrophobicContact CD1-CG2 3.96Å; L269-I306 HydrophobicContact CD1-CD1 4.1Å
270	R	98.8	Very high	98.4	Very high	20 Å²	20	29.6 Å²	29.6	8%	0.075	17%	0.166	C	C	.	.			trans	58.8	-53.3	-170.1	-68.5	174.3	159.2	-178.9	-8.3	114.7	L176 A177 E182 D183 L187 Q228 N268	L176-R270 CarbonylContact C-O 3.57Å; L176-R270 WeakPolarHBondContact CA-O 3.4Å; A177-R270 PolarHBondContact N-O 3.07Å; E182-R270 IonicContact OE1-NH2 3.26Å; E182-R270 PolarHBondContact OE1-NH2 3.35Å; D183-R270 IonicContact OD1-CZ 3.73Å; D183-R270 IonicContact OD1-NE 2.7Å; D183-R270 PolarHBondContact OD1-NE 2.67Å; D183-R270 IonicContact OD1-NH2 3.15Å; D183-R270 PolarHBondContact OD1-NH2 3.34Å; L187-R270 HydrophobicContact CD1-CB 3.86Å; L187-R270 HydrophobicContact CD1-CG 4.17Å; L187-R270 HydrophobicContact CD2-CB 4.5Å; Q228-R270 WeakPolarHBondContact O-CD 2.99Å; N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 PolarHBondContact OD1-N 2.94Å
271	S	98.8	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.7	177.3	-55.6	0	0	0	0	110.6	V175 L176 G227 L269 P274	V175-S271 CarbonylContact O-C 3.59Å; V175-S271 WeakPolarHBondContact O-CA 3.2Å; L176-S271 VanDerWaalsContact CD2-OG 3.25Å; L176-S271 WeakPolarHBondContact CD2-OG 3.09Å; G227-S271 PolarHBondContact N-OG 2.89Å; L269-S271 PolarHBondContact O-N 3.05Å; S271-P274 WeakPolarHBondContact CB-O 3.13Å
272	L	98.8	Very high	98.7	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-25.9	171.4	-53.6	-175.8	0	0	0	111.3	A168 V175 A177 L201 Y243 L269 I302	A168-L272 HydrophobicContact CB-CB 4.08Å; V175-L272 HydrophobicContact CB-CB 4.31Å; V175-L272 HydrophobicContact CG1-CB 4.18Å; V175-L272 HydrophobicContact CG1-CD1 4.28Å; V175-L272 PolarHBondContact O-N 2.64Å; A177-L272 HydrophobicContact CB-CD1 3.99Å; A177-L272 HydrophobicContact CB-CD2 4.41Å; A177-L272 HydrophobicContact CB-CG 4.05Å; L201-L272 HydrophobicContact CD1-CD1 4.19Å; Y243-L272 HydrophobicContact CD1-CD2 3.69Å; Y243-L272 HydrophobicContact CD2-CD1 4.36Å; Y243-L272 HydrophobicContact CD2-CD2 4.22Å; Y243-L272 HydrophobicContact CE1-CD2 4.2Å; Y243-L272 HydrophobicContact CE2-CD1 4.29Å; Y243-L272 HydrophobicContact CG-CD2 3.7Å; L269-L272 HydrophobicContact CB-CD2 4.4Å; L269-L272 HydrophobicContact CD1-CD2 3.86Å; L272-I302 HydrophobicContact CB-CD1 4.21Å; L272-I302 HydrophobicContact CD1-CD1 4.16Å; L272-I302 HydrophobicContact CD1-CG1 4.2Å; L272-I302 HydrophobicContact CD2-CD1 4.5Å; L272-I302 HydrophobicContact CD2-CG1 4.34Å; L272-I302 HydrophobicContact CD2-CG2 4.23Å
273	R	98.7	Very high	98.7	Very high	76 Å²	76	27 Å²	27	29%	0.287	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	124.8	173	-173.5	-177.1	-174.7	77	12.3	111	A168 C170 L173 K174 V175	A168-R273 HydrophobicContact CB-CB 4.21Å; A168-R273 VanDerWaalsContact O-CD 3.29Å; A168-R273 WeakPolarHBondContact O-CD 3.47Å; A168-R273 PolarHBondContact O-NH1 3.47Å; C170-R273 WeakPolarHBondContact O-CD 3.42Å; C170-R273 PolarHBondContact O-NE 3.1Å; L173-R273 WeakPolarHBondContact O-CD 3.23Å; L173-R273 PolarHBondContact O-NE 2.68Å; K174-R273 CarbonylContact C-O 3.51Å; K174-R273 VanDerWaalsContact CA-O 3.23Å; K174-R273 WeakPolarHBondContact CA-O 3.49Å; V175-R273 HydrophobicContact CB-CB 4.01Å; V175-R273 HydrophobicContact CG2-CB 4.02Å; V175-R273 PolarHBondContact N-O 3.42Å; V175-R273 PolarHBondContact O-N 2.98Å; V175-R273 VanDerWaalsContact O-N 3.14Å
274	P	98.6	Very high	98.8	Very high	70 Å²	70	25 Å²	25	46%	0.455	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	cis	-61	144.4	-19.7	29.4	-34.4	0	0	0	110.4	G227 S271	G227-P274 WeakPolarHBondContact CA-O 3.28Å; S271-P274 WeakPolarHBondContact CB-O 3.13Å
275	M	98.6	Very high	98.7	Very high	26 Å²	26	26.8 Å²	26.8	13%	0.128	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-87.5	140.2	176.6	-175.5	167.9	61.4	0	0	110.1	L269 E277 I280 I302 E305 I306	L269-M275 HydrophobicContact CD1-SD 4.19Å; L269-M275 HydrophobicContact CD2-CG 4.03Å; L269-M275 HydrophobicContact CD2-SD 4.09Å; M275-E277 VanDerWaalsContact C-N 3.29Å; M275-E277 HydrophobicContact CE-CG 3.97Å; M275-E277 PolarHBondContact O-N 3.18Å; M275-I280 HydrophobicContact CG-CD1 4.39Å; M275-I280 HydrophobicContact SD-CD1 4.23Å; M275-I302 HydrophobicContact SD-CG2 4.46Å; M275-E305 HydrophobicContact CE-CG 4.14Å; M275-I306 HydrophobicContact CE-CG1 3.58Å; M275-I306 HydrophobicContact SD-CD1 3.98Å; M275-I306 HydrophobicContact SD-CG1 3.52Å; M275-I306 VanDerWaalsContact SD-CG1 3.52Å
276	D	98.7	Very high	98.7	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	15%	0.148	C	C	.	.			trans	-79.6	77.3	175.3	-173.5	1.9	0	0	0	111.3	G227 A229 E278 T279	G227-D276 WeakPolarHBondContact O-CB 3.47Å; A229-D276 HydrophobicContact CB-CB 3.79Å; A229-D276 PolarHBondContact N-OD2 2.88Å; D276-E278 VanDerWaalsContact C-N 3.3Å; D276-E278 PolarHBondContact O-N 3.34Å; D276-T279 VanDerWaalsContact CG-OG1 3.24Å; D276-T279 PolarHBondContact OD1-N 3.48Å; D276-T279 PolarHBondContact OD1-OG1 2.94Å; D276-T279 VanDerWaalsContact OD2-CB 3.3Å; D276-T279 WeakPolarHBondContact OD2-CB 3.47Å; D276-T279 PolarHBondContact OD2-OG1 2.94Å
277	E	98.6	Very high	98.7	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-32.5	179.9	-69.1	171.7	-147.9	0	0	112.9	M275 T279 I280 F281 R309	M275-E277 VanDerWaalsContact C-N 3.29Å; M275-E277 HydrophobicContact CE-CG 3.97Å; M275-E277 PolarHBondContact O-N 3.18Å; E277-T279 PolarHBondContact O-N 3.39Å; E277-I280 WeakPolarHBondContact O-CB 3.4Å; E277-I280 PolarHBondContact O-N 3.11Å; E277-I280 VanDerWaalsContact O-N 3.15Å; E277-F281 HydrophobicContact CB-CD2 4.35Å; E277-F281 HydrophobicContact CB-CE1 4.25Å; E277-F281 HydrophobicContact CB-CE2 3.74Å; E277-F281 HydrophobicContact CB-CZ 3.69Å; E277-F281 HydrophobicContact CG-CZ 4.29Å; E277-F281 WeakPolarHBondContact O-CD1 3.37Å; E277-F281 WeakPolarHBondContact O-CD2 3.45Å; E277-F281 WeakPolarHBondContact O-CG 3.24Å; E277-F281 PolarHBondContact O-N 3.16Å; E277-R309 IonicContact OE1-CZ 2.97Å; E277-R309 IonicContact OE1-NE 3.32Å; E277-R309 IonicContact OE1-NH1 3.61Å; E277-R309 PolarHBondContact OE1-NH1 2.81Å; E277-R309 IonicContact OE1-NH2 2.61Å; E277-R309 PolarHBondContact OE1-NH2 2.98Å; E277-R309 IonicContact OE2-CZ 3.03Å; E277-R309 IonicContact OE2-NE 3.59Å; E277-R309 PolarHBondContact OE2-NE 3.23Å; E277-R309 IonicContact OE2-NH1 3.05Å; E277-R309 IonicContact OE2-NH2 2.94Å; E277-R309 PolarHBondContact OE2-NH2 2.76Å
278	E	98.6	Very high	98.7	Very high	106 Å²	106	34 Å²	34	50%	0.495	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-43.2	-176.6	-177.6	59.5	-157.9	0	0	111.1	D276 I280 F281 Q282	D276-E278 VanDerWaalsContact C-N 3.3Å; D276-E278 PolarHBondContact O-N 3.34Å; E278-I280 VanDerWaalsContact C-N 3.29Å; E278-I280 PolarHBondContact O-N 3.41Å; E278-F281 PolarHBondContact O-N 3Å; E278-Q282 HydrophobicContact CG-CG 4.47Å; E278-Q282 WeakPolarHBondContact O-CG 3.35Å; E278-Q282 PolarHBondContact O-N 3.25Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.44Å; E278-Q282 PolarHBondContact OE1-NE2 3.38Å
279	T	98.7	Very high	98.7	Very high	39 Å²	39	36 Å²	36	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-40.7	174.7	-66.3	0	0	0	0	111.6	A229 V231 I267 D276 E277 S283	A229-T279 HydrophobicContact CB-CG2 4.13Å; V231-T279 HydrophobicContact CG2-CG2 4.18Å; I267-T279 HydrophobicContact CD1-CG2 4.23Å; I267-T279 HydrophobicContact CG2-CG2 4.36Å; D276-T279 VanDerWaalsContact CG-OG1 3.24Å; D276-T279 PolarHBondContact OD1-N 3.48Å; D276-T279 PolarHBondContact OD1-OG1 2.94Å; D276-T279 VanDerWaalsContact OD2-CB 3.3Å; D276-T279 WeakPolarHBondContact OD2-CB 3.47Å; D276-T279 PolarHBondContact OD2-OG1 2.94Å; E277-T279 PolarHBondContact O-N 3.39Å; T279-S283 WeakPolarHBondContact O-CB 3.4Å; T279-S283 PolarHBondContact O-N 2.89Å; T279-S283 VanDerWaalsContact O-N 3.16Å
280	I	98.8	Very high	98.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-49.2	175.5	-58.5	168.3	0	0	0	110.1	V241 L269 M275 E277 E278 Q282 S283 V284 L290 I306 V310	V241-I280 HydrophobicContact CG1-CD1 4.1Å; V241-I280 HydrophobicContact CG1-CG1 4.28Å; V241-I280 HydrophobicContact CG2-CG1 4.21Å; V241-I280 HydrophobicContact CG2-CG2 4.07Å; L269-I280 HydrophobicContact CD2-CD1 3.71Å; L269-I280 HydrophobicContact CD2-CG1 4.32Å; M275-I280 HydrophobicContact CG-CD1 4.39Å; M275-I280 HydrophobicContact SD-CD1 4.23Å; E277-I280 WeakPolarHBondContact O-CB 3.4Å; E277-I280 PolarHBondContact O-N 3.11Å; E277-I280 VanDerWaalsContact O-N 3.15Å; E278-I280 VanDerWaalsContact C-N 3.29Å; E278-I280 PolarHBondContact O-N 3.41Å; I280-Q282 PolarHBondContact O-N 2.6Å; I280-S283 WeakPolarHBondContact O-CB 3.37Å; I280-S283 PolarHBondContact O-N 3.24Å; I280-V284 HydrophobicContact CG2-CG2 4.26Å; I280-V284 WeakPolarHBondContact O-CG2 3.29Å; I280-V284 PolarHBondContact O-N 3.13Å; I280-L290 HydrophobicContact CG2-CD2 4.5Å; I280-I306 HydrophobicContact CD1-CD1 4.42Å; I280-I306 HydrophobicContact CD1-CG1 4.27Å; I280-I306 HydrophobicContact CD1-CG2 4.35Å; I280-I306 HydrophobicContact CG2-CG2 4.27Å; I280-V310 HydrophobicContact CG2-CG2 4.46Å
281	F	98.7	Very high	98.7	Very high	16 Å²	16	35.1 Å²	35.1	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-45	-177.4	-63.3	-17.3	0	0	0	112.3	E277 E278 S283 V284 K285 R309 V310 T313 T315	E277-F281 HydrophobicContact CB-CD2 4.35Å; E277-F281 HydrophobicContact CB-CE1 4.25Å; E277-F281 HydrophobicContact CB-CE2 3.74Å; E277-F281 HydrophobicContact CB-CZ 3.69Å; E277-F281 HydrophobicContact CG-CZ 4.29Å; E277-F281 WeakPolarHBondContact O-CD1 3.37Å; E277-F281 WeakPolarHBondContact O-CD2 3.45Å; E277-F281 WeakPolarHBondContact O-CG 3.24Å; E277-F281 PolarHBondContact O-N 3.16Å; E278-F281 PolarHBondContact O-N 3Å; F281-S283 VanDerWaalsContact C-N 3.3Å; F281-S283 PolarHBondContact O-N 2.77Å; F281-V284 PolarHBondContact O-N 2.92Å; F281-K285 WeakPolarHBondContact O-CB 3.46Å; F281-K285 VanDerWaalsContact O-CG 3.24Å; F281-K285 WeakPolarHBondContact O-CG 3.38Å; F281-K285 PolarHBondContact O-N 3.17Å; F281-R309 HydrophobicContact CE1-CB 4.37Å; F281-R309 HydrophobicContact CZ-CB 4.09Å; F281-V310 HydrophobicContact CD1-CG2 4.03Å; F281-V310 HydrophobicContact CE1-CG2 3.81Å; F281-T313 HydrophobicContact CE2-CG2 3.96Å; F281-T313 HydrophobicContact CZ-CG2 3.98Å; F281-T315 HydrophobicContact CB-CG2 4.2Å; F281-T315 WeakPolarHBondContact CB-OG1 3.47Å; F281-T315 HydrophobicContact CD1-CG2 4.08Å; F281-T315 HydrophobicContact CG-CG2 4.39Å; F281-T315 WeakPolarHBondContact CG-OG1 3.47Å
282	Q	98.7	Very high	98.7	Very high	94 Å²	94	35.2 Å²	35.2	44%	0.439	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-37.9	177.4	-67.1	-56.1	-34.2	0	0	112.1	E278 I280 K285 K286	E278-Q282 HydrophobicContact CG-CG 4.47Å; E278-Q282 WeakPolarHBondContact O-CG 3.35Å; E278-Q282 PolarHBondContact O-N 3.25Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.44Å; E278-Q282 PolarHBondContact OE1-NE2 3.38Å; I280-Q282 PolarHBondContact O-N 2.6Å; Q282-K285 PolarHBondContact O-N 2.89Å; Q282-K286 WeakPolarHBondContact O-CB 3.19Å; Q282-K286 PolarHBondContact O-N 3.17Å; Q282-K286 VanDerWaalsContact O-N 3.12Å
283	S	98.8	Very high	98.7	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-47.7	174	-173.1	0	0	0	0	111.9	T239 E265 T279 I280 F281 K285 K286 T287	T239-S283 WeakPolarHBondContact CB-OG 3.16Å; T239-S283 WeakPolarHBondContact CG2-OG 3.43Å; T239-S283 PolarHBondContact OG1-O 3.15Å; T239-S283 PolarHBondContact OG1-OG 3.28Å; E265-S283 VanDerWaalsContact CD-OG 3.32Å; E265-S283 WeakPolarHBondContact CG-OG 3.38Å; E265-S283 WeakPolarHBondContact OE1-CB 3.48Å; E265-S283 PolarHBondContact OE1-OG 3.02Å; T279-S283 WeakPolarHBondContact O-CB 3.4Å; T279-S283 PolarHBondContact O-N 2.89Å; T279-S283 VanDerWaalsContact O-N 3.16Å; I280-S283 WeakPolarHBondContact O-CB 3.37Å; I280-S283 PolarHBondContact O-N 3.24Å; F281-S283 VanDerWaalsContact C-N 3.3Å; F281-S283 PolarHBondContact O-N 2.77Å; S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.49Å; S283-K286 CarbonylContact O-C 3.59Å; S283-K286 WeakPolarHBondContact O-CA 3.34Å; S283-K286 WeakPolarHBondContact O-CB 3.1Å; S283-K286 PolarHBondContact O-N 3.31Å; S283-T287 WeakPolarHBondContact O-CG2 3.28Å; S283-T287 PolarHBondContact O-N 2.71Å; S283-T287 PolarHBondContact O-OG1 3.48Å
284	V	98.7	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-40.2	177.6	174.8	0	0	0	0	111.6	I280 F281 K286 T287 H288 L290 T315 L319	I280-V284 HydrophobicContact CG2-CG2 4.26Å; I280-V284 WeakPolarHBondContact O-CG2 3.29Å; I280-V284 PolarHBondContact O-N 3.13Å; F281-V284 PolarHBondContact O-N 2.92Å; V284-K286 PolarHBondContact O-N 2.77Å; V284-T287 PolarHBondContact O-N 2.97Å; V284-H288 WeakPolarHBondContact O-CA 3.46Å; V284-H288 PolarHBondContact O-N 3.12Å; V284-L290 HydrophobicContact CG2-CB 3.96Å; V284-L290 HydrophobicContact CG2-CD1 4.09Å; V284-L290 HydrophobicContact CG2-CD2 4Å; V284-L290 HydrophobicContact CG2-CG 4.23Å; V284-T315 HydrophobicContact CB-CG2 3.79Å; V284-T315 HydrophobicContact CG1-CG2 3.66Å; V284-L319 HydrophobicContact CG1-CD2 3.56Å; V284-L319 HydrophobicContact CG1-CG 4.05Å
285	K	98.6	Very high	98.6	Very high	38 Å²	38	29.1 Å²	29.1	17%	0.165	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-27.2	174.4	-71.5	175.7	-175.7	-177.1	0	112.6	F281 Q282 S283 D314 T315 Y318	F281-K285 WeakPolarHBondContact O-CB 3.46Å; F281-K285 VanDerWaalsContact O-CG 3.24Å; F281-K285 WeakPolarHBondContact O-CG 3.38Å; F281-K285 PolarHBondContact O-N 3.17Å; Q282-K285 PolarHBondContact O-N 2.89Å; S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.49Å; K285-D314 IonicContact NZ-OD1 2.88Å; K285-D314 PolarHBondContact NZ-OD1 3.37Å; K285-D314 IonicContact NZ-OD2 3.35Å; K285-D314 PolarHBondContact NZ-OD2 2.89Å; K285-T315 WeakPolarHBondContact CE-OG1 3.36Å; K285-T315 HydrophobicContact CG-CG2 4.4Å; K285-Y318 HydrophobicContact CB-CD1 4Å; K285-Y318 HydrophobicContact CB-CE1 4.34Å; K285-Y318 HydrophobicContact CB-CG 4.18Å; K285-Y318 HydrophobicContact CD-CD2 4.34Å; K285-Y318 HydrophobicContact CD-CE2 4.2Å; K285-Y318 HydrophobicContact CG-CD1 4.01Å; K285-Y318 HydrophobicContact CG-CD2 3.78Å; K285-Y318 HydrophobicContact CG-CE1 4.31Å; K285-Y318 HydrophobicContact CG-CE2 4.09Å; K285-Y318 HydrophobicContact CG-CG 3.74Å
286	K	98.7	Very high	98.6	Very high	88 Å²	88	28.2 Å²	28.2	38%	0.383	14%	0.135	S	C	.	.	H	α-helix	trans	-83.6	-41.7	176	178.6	178.6	68.7	-177.6	0	112.8	E234 G235 E265 Q282 S283 V284	E234-K286 IonicContact OE2-NZ 2.82Å; E234-K286 PolarHBondContact OE2-NZ 3.28Å; G235-K286 VanDerWaalsContact O-CE 3.25Å; G235-K286 WeakPolarHBondContact O-CE 3.46Å; E265-K286 VanDerWaalsContact OE1-CE 3.24Å; E265-K286 WeakPolarHBondContact OE1-CE 3.35Å; E265-K286 IonicContact OE1-NZ 2.61Å; E265-K286 PolarHBondContact OE1-NZ 3.26Å; E265-K286 WeakPolarHBondContact OE2-CE 3.48Å; E265-K286 IonicContact OE2-NZ 2.95Å; E265-K286 PolarHBondContact OE2-NZ 2.82Å; Q282-K286 WeakPolarHBondContact O-CB 3.19Å; Q282-K286 PolarHBondContact O-N 3.17Å; Q282-K286 VanDerWaalsContact O-N 3.12Å; S283-K286 CarbonylContact O-C 3.59Å; S283-K286 WeakPolarHBondContact O-CA 3.34Å; S283-K286 WeakPolarHBondContact O-CB 3.1Å; S283-K286 PolarHBondContact O-N 3.31Å; V284-K286 PolarHBondContact O-N 2.77Å
287	T	98.6	Very high	98.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-98.9	-21.1	-169.7	67	0	0	0	0	114	K236 T239 E265 S283 V284 Y289	K236-T287 WeakPolarHBondContact O-CA 3.11Å; T239-T287 PolarHBondContact N-OG1 2.76Å; T239-T287 WeakPolarHBondContact OG1-CG2 3.46Å; T239-T287 PolarHBondContact OG1-OG1 2.75Å; E265-T287 HydrophobicContact CB-CG2 4.29Å; S283-T287 WeakPolarHBondContact O-CG2 3.28Å; S283-T287 PolarHBondContact O-N 2.71Å; S283-T287 PolarHBondContact O-OG1 3.48Å; V284-T287 PolarHBondContact O-N 2.97Å; T287-Y289 WeakPolarHBondContact O-CD2 3.47Å; T287-Y289 PolarHBondContact O-N 3.36Å; T287-Y289 VanDerWaalsContact O-N 3.16Å; T287-Y289 PolarHBondContact OG1-O 3.34Å; T287-Y289 VanDerWaalsContact OG1-O 3.12Å
288	H	98.4	Very high	98.6	Very high	67 Å²	67	30.9 Å²	30.9	31%	0.31	15%	0.145	S	C	.	.	S	Bend	trans	65.7	0.9	-177.5	-53.3	-76.6	0	0	0	116.3	V284 Y318 L319 D320	V284-H288 WeakPolarHBondContact O-CA 3.46Å; V284-H288 PolarHBondContact O-N 3.12Å; H288-Y318 WeakPolarHBondContact CA-O 3.27Å; H288-Y318 WeakPolarHBondContact CB-O 3.06Å; H288-Y318 PolarHBondContact ND1-O 3.49Å; H288-L319 WeakPolarHBondContact O-CA 3.44Å; H288-D320 HydrophobicContact CB-CB 4.22Å; H288-D320 PolarHBondContact O-N 3.27Å
289	Y	98.7	Very high	98.5	Very high	42 Å²	42	30.6 Å²	30.6	17%	0.165	15%	0.15	C	C	.	.			trans	-139.1	140.9	-177.9	-59.1	-84.4	0	0	0	110.5	D237 T239 T287 D320 A321 V357 K358	D237-Y289 VanDerWaalsContact O-CD2 3.28Å; D237-Y289 WeakPolarHBondContact O-CD2 3.45Å; T239-Y289 WeakPolarHBondContact CB-O 3.34Å; T239-Y289 PolarHBondContact N-O 2.96Å; T287-Y289 WeakPolarHBondContact O-CD2 3.47Å; T287-Y289 PolarHBondContact O-N 3.36Å; T287-Y289 VanDerWaalsContact O-N 3.16Å; T287-Y289 PolarHBondContact OG1-O 3.34Å; T287-Y289 VanDerWaalsContact OG1-O 3.12Å; Y289-D320 HydrophobicContact CD1-CB 4.46Å; Y289-D320 HydrophobicContact CE1-CB 3.71Å; Y289-D320 HydrophobicContact CE2-CB 4.19Å; Y289-D320 VanDerWaalsContact CZ-CB 3.49Å; Y289-D320 VanDerWaalsContact OH-CB 3.31Å; Y289-D320 WeakPolarHBondContact OH-CB 3.48Å; Y289-D320 PolarHBondContact OH-OD2 2.89Å; Y289-A321 HydrophobicContact CD1-CB 3.77Å; Y289-A321 HydrophobicContact CE1-CB 3.75Å; Y289-V357 HydrophobicContact CD1-CG1 3.44Å; Y289-V357 VanDerWaalsContact CD1-CG1 3.44Å; Y289-V357 HydrophobicContact CE1-CG1 4.39Å; Y289-V357 HydrophobicContact CG-CG1 4.07Å; Y289-K358 HydrophobicContact CD1-CG 4.48Å; Y289-K358 HydrophobicContact CG-CG 4.45Å
290	L	98.8	Very high	98.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.2	179.6	178.7	61.8	0	0	0	111.3	T239 V241 I280 V284 T292 I306 V310 L319 V323 L324	T239-L290 HydrophobicContact CG2-CD1 3.86Å; T239-L290 WeakPolarHBondContact O-CA 3.47Å; V241-L290 HydrophobicContact CB-CD1 4.44Å; V241-L290 HydrophobicContact CG2-CD1 3.56Å; I280-L290 HydrophobicContact CG2-CD2 4.5Å; V284-L290 HydrophobicContact CG2-CB 3.96Å; V284-L290 HydrophobicContact CG2-CD1 4.09Å; V284-L290 HydrophobicContact CG2-CD2 4Å; V284-L290 HydrophobicContact CG2-CG 4.23Å; L290-T292 HydrophobicContact CD2-CG2 4.49Å; L290-T292 HydrophobicContact CG-CG2 4.44Å; L290-I306 HydrophobicContact CD2-CG2 3.99Å; L290-V310 HydrophobicContact CD2-CG2 3.82Å; L290-L319 HydrophobicContact CB-CD2 4.38Å; L290-V323 HydrophobicContact CB-CG1 3.95Å; L290-V323 HydrophobicContact CB-CG2 4.09Å; L290-V323 HydrophobicContact CD2-CB 4.5Å; L290-V323 HydrophobicContact CD2-CG1 3.65Å; L290-V323 HydrophobicContact CD2-CG2 4.01Å; L290-V323 HydrophobicContact CG-CG1 3.64Å; L290-V323 HydrophobicContact CG-CG2 4.41Å; L290-L324 PolarHBondContact O-N 2.86Å
291	V	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.4	164.9	179.6	0	0	0	0	109	V238 T239 L240 V241 V293 L324 V326 T353 V354 V357	V238-V291 HydrophobicContact CG2-CG2 4.37Å; T239-V291 PolarHBondContact O-N 2.97Å; L240-V291 WeakPolarHBondContact CA-O 3.32Å; L240-V291 HydrophobicContact CD2-CB 3.75Å; L240-V291 HydrophobicContact CD2-CG1 4.35Å; L240-V291 HydrophobicContact CD2-CG2 4.41Å; V241-V291 PolarHBondContact N-O 3.3Å; V291-V293 HydrophobicContact CG1-CG2 4.29Å; V291-L324 VanDerWaalsContact CA-O 3.32Å; V291-L324 WeakPolarHBondContact CA-O 3.38Å; V291-V326 HydrophobicContact CG1-CG2 3.8Å; V291-T353 HydrophobicContact CG1-CG2 3.85Å; V291-T353 HydrophobicContact CG2-CG2 4.09Å; V291-V354 HydrophobicContact CG2-CG2 4.13Å; V291-V357 HydrophobicContact CG2-CG2 3.99Å
292	T	98.9	Very high	98.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141	173.3	69.1	0	0	0	0	109.8	V241 L290 G303 I306 V323 L324 R325 V326	V241-T292 WeakPolarHBondContact O-CA 3.44Å; L290-T292 HydrophobicContact CD2-CG2 4.49Å; L290-T292 HydrophobicContact CG-CG2 4.44Å; T292-G303 WeakPolarHBondContact OG1-CA 3.21Å; T292-I306 HydrophobicContact CG2-CB 3.97Å; T292-I306 HydrophobicContact CG2-CD1 4.09Å; T292-I306 HydrophobicContact CG2-CG2 3.71Å; T292-V323 HydrophobicContact CG2-CG1 4.42Å; T292-L324 PolarHBondContact N-O 3.4Å; T292-L324 VanDerWaalsContact N-O 3.09Å; T292-R325 WeakPolarHBondContact O-CA 3.31Å; T292-R325 WeakPolarHBondContact OG1-CG 3.29Å; T292-V326 PolarHBondContact O-N 3.49Å
293	V	98.9	Very high	98.5	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.8	-178.8	-174.4	0	0	0	0	109.9	V241 S242 C250 V291 V326 P345 I350	V241-V293 PolarHBondContact O-N 3.36Å; S242-V293 WeakPolarHBondContact CA-O 3.42Å; S242-V293 VanDerWaalsContact CB-O 3.32Å; S242-V293 WeakPolarHBondContact CB-O 3.33Å; S242-V293 PolarHBondContact OG-O 3.04Å; C250-V293 VanDerWaalsContact SG-CG2 3.56Å; V291-V293 HydrophobicContact CG1-CG2 4.29Å; V293-V326 CarbonylContact C-O 3.06Å; V293-V326 VanDerWaalsContact CA-O 3.29Å; V293-V326 WeakPolarHBondContact CA-O 3.48Å; V293-V326 HydrophobicContact CG1-CB 4.44Å; V293-V326 HydrophobicContact CG2-CB 4.25Å; V293-V326 HydrophobicContact CG2-CG2 4.5Å; V293-P345 HydrophobicContact CG1-CB 4.25Å; V293-I350 HydrophobicContact CG1-CD1 3.83Å; V293-I350 HydrophobicContact CG1-CG1 4.19Å; V293-I350 HydrophobicContact CG2-CD1 4.03Å; V293-I350 HydrophobicContact CG2-CG1 4.01Å; V293-I350 HydrophobicContact CG2-CG2 4.45Å
294	E	98.5	Very high	98.5	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.023	17%	0.166	C	C	.	.			trans	-142.4	148.7	176	65.4	-173.3	122.2	0	0	111.7	Y243 I302 G303 V326 T327 G328 P345	Y243-E294 HydrophobicContact CE1-CB 3.64Å; E294-I302 PolarHBondContact OE1-N 2.95Å; E294-I302 PolarHBondContact OE2-N 3.24Å; E294-G303 WeakPolarHBondContact OE1-CA 3.49Å; E294-G303 PolarHBondContact OE1-N 2.91Å; E294-V326 PolarHBondContact N-O 3.04Å; E294-T327 HydrophobicContact CG-CG2 3.92Å; E294-T327 CarbonylContact O-C 3.59Å; E294-T327 WeakPolarHBondContact O-CA 2.94Å; E294-G328 PolarHBondContact O-N 3.02Å; E294-P345 WeakPolarHBondContact O-CG 3.22Å
295	N	97.3	Very high	98.5	Very high	20 Å²	20	35 Å²	35	11%	0.107	19%	0.186	C	C	.	.	S	Bend	trans	-84	-13.1	177.2	-70.2	94.3	0	0	0	113.1	G246	G246-N295 PolarHBondContact N-OD1 3.38Å
296	G	97.9	Very high	98.5	Very high	7 Å²	7	33.4 Å²	33.4	7%	0.072	18%	0.179	C	C	.	.	S	Bend	trans	-73.8	175.7	177.2	0	0	0	0	0	114.4	G328	G296-G328 WeakPolarHBondContact O-CA 3.48Å; G296-G328 PolarHBondContact O-N 3.44Å
297	W	98.4	Very high	98.5	Very high	92 Å²	92	30.5 Å²	30.5	35%	0.348	17%	0.17	S	C	.	.			trans	-65.9	150.9	177.9	-66.7	-40.8	0	0	0	112.7	Q161 I331	Q161-W297 HydrophobicContact CB-CH2 4.48Å; Q161-W297 HydrophobicContact CG-CH2 3.89Å; Q161-W297 HydrophobicContact CG-CZ3 3.88Å; W297-I331 PolarHBondContact NE1-O 2.72Å
298	P	98.3	Very high	98.5	Very high	23 Å²	23	32.2 Å²	32.2	15%	0.149	18%	0.184	C	C	.	.	S	Bend	trans	-73.7	-30.9	-172.6	22.1	-27.7	0	0	0	114.5	C300 R325 T327 G328 D330	P298-C300 PolarHBondContact O-N 2.95Å; P298-R325 PolarHBondContact O-NH1 3.41Å; P298-R325 PolarHBondContact O-NH2 3.43Å; P298-T327 HydrophobicContact CB-CG2 4.13Å; P298-T327 WeakPolarHBondContact CB-OG1 3.45Å; P298-G328 WeakPolarHBondContact CD-O 3.47Å; P298-D330 HydrophobicContact CG-CB 3.71Å
299	V	98.3	Very high	98.5	Very high	99 Å²	99	32.8 Å²	32.8	60%	0.6	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	123.5	-174.1	-178.4	0	0	0	0	109	G301	V299-G301 PolarHBondContact O-N 2.64Å; V299-G301 VanDerWaalsContact O-N 3.16Å
300	C	97.7	Very high	98.5	Very high	108 Å²	108	30.9 Å²	30.9	73%	0.73	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	27.7	-177.5	-55.7	0	0	0	0	114	A165 P298	A165-C300 VanDerWaalsContact CB-O 3.28Å; A165-C300 WeakPolarHBondContact CB-O 3.49Å; P298-C300 PolarHBondContact O-N 2.95Å
301	G	98.2	Very high	98.5	Very high	5 Å²	5	36.2 Å²	36.2	5%	0.052	20%	0.202	C	C	.	.			trans	-72.9	174.9	174.2	0	0	0	0	0	113.5	V299 G303 A304	V299-G301 PolarHBondContact O-N 2.64Å; V299-G301 VanDerWaalsContact O-N 3.16Å; G301-G303 VanDerWaalsContact C-N 3.29Å; G301-G303 PolarHBondContact O-N 3.03Å; G301-A304 VanDerWaalsContact O-CB 3.27Å; G301-A304 WeakPolarHBondContact O-CB 3.21Å; G301-A304 PolarHBondContact O-N 3.46Å
302	I	98.7	Very high	98.4	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-37.8	-179.5	-62.9	-61.6	0	0	0	111.2	A165 A168 Y243 L269 L272 M275 E294 A304 E305 I306	A165-I302 HydrophobicContact CB-CD1 4.32Å; A168-I302 HydrophobicContact CB-CD1 3.87Å; Y243-I302 HydrophobicContact CD1-CG2 4.42Å; Y243-I302 HydrophobicContact CE1-CB 3.87Å; Y243-I302 HydrophobicContact CE1-CG1 3.87Å; Y243-I302 HydrophobicContact CE1-CG2 4.12Å; L269-I302 HydrophobicContact CD1-CG2 3.96Å; L272-I302 HydrophobicContact CB-CD1 4.21Å; L272-I302 HydrophobicContact CD1-CD1 4.16Å; L272-I302 HydrophobicContact CD1-CG1 4.2Å; L272-I302 HydrophobicContact CD2-CD1 4.5Å; L272-I302 HydrophobicContact CD2-CG1 4.34Å; L272-I302 HydrophobicContact CD2-CG2 4.23Å; M275-I302 HydrophobicContact SD-CG2 4.46Å; E294-I302 PolarHBondContact OE1-N 2.95Å; E294-I302 PolarHBondContact OE2-N 3.24Å; I302-A304 PolarHBondContact O-N 2.89Å; I302-E305 PolarHBondContact O-N 3.45Å; I302-I306 HydrophobicContact CG2-CD1 4.05Å; I302-I306 PolarHBondContact O-N 3.45Å; I302-I306 VanDerWaalsContact O-N 3.1Å
303	G	98.7	Very high	98.4	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-27.2	175.5	0	0	0	0	0	112.9	T292 E294 G301 C307 R325	T292-G303 WeakPolarHBondContact OG1-CA 3.21Å; E294-G303 WeakPolarHBondContact OE1-CA 3.49Å; E294-G303 PolarHBondContact OE1-N 2.91Å; G301-G303 VanDerWaalsContact C-N 3.29Å; G301-G303 PolarHBondContact O-N 3.03Å; G303-C307 WeakPolarHBondContact O-CB 3.27Å; G303-C307 PolarHBondContact O-N 3.1Å; G303-C307 PolarHBondContact O-SG 3.32Å; G303-R325 VanDerWaalsContact C-CD 3.49Å; G303-R325 WeakPolarHBondContact O-CD 3.48Å
304	A	98.7	Very high	98.4	Very high	32 Å²	32	49.2 Å²	49.2	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-44	174.9	0	0	0	0	0	111.7	G301 I302 C307 A308	G301-A304 VanDerWaalsContact O-CB 3.27Å; G301-A304 WeakPolarHBondContact O-CB 3.21Å; G301-A304 PolarHBondContact O-N 3.46Å; I302-A304 PolarHBondContact O-N 2.89Å; A304-C307 PolarHBondContact O-N 3.08Å; A304-A308 PolarHBondContact O-N 3.31Å
305	E	98.7	Very high	98.3	Very high	90 Å²	90	49 Å²	49	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.2	179.1	62.1	-163.3	0	0	110.7	M275 I302 C307 A308 R309	M275-E305 HydrophobicContact CE-CG 4.14Å; I302-E305 PolarHBondContact O-N 3.45Å; E305-C307 VanDerWaalsContact C-N 3.34Å; E305-C307 PolarHBondContact O-N 2.95Å; E305-A308 PolarHBondContact O-N 3.43Å; E305-A308 VanDerWaalsContact O-N 3.15Å; E305-R309 HydrophobicContact CG-CG 4.26Å; E305-R309 VanDerWaalsContact O-CG 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.47Å; E305-R309 PolarHBondContact O-N 3.08Å; E305-R309 VanDerWaalsContact OE1-CD 3.29Å; E305-R309 WeakPolarHBondContact OE1-CD 3.3Å; E305-R309 WeakPolarHBondContact OE1-CG 3.34Å; E305-R309 IonicContact OE1-NH1 2.68Å
306	I	98.7	Very high	98.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-48.1	176.5	-64.5	166.6	0	0	0	110.8	V241 L269 M275 I280 L290 T292 I302 A308 R309 V310	V241-I306 HydrophobicContact CG1-CD1 3.83Å; L269-I306 HydrophobicContact CD1-CD1 4.1Å; M275-I306 HydrophobicContact CE-CG1 3.58Å; M275-I306 HydrophobicContact SD-CD1 3.98Å; M275-I306 HydrophobicContact SD-CG1 3.52Å; M275-I306 VanDerWaalsContact SD-CG1 3.52Å; I280-I306 HydrophobicContact CD1-CD1 4.42Å; I280-I306 HydrophobicContact CD1-CG1 4.27Å; I280-I306 HydrophobicContact CD1-CG2 4.35Å; I280-I306 HydrophobicContact CG2-CG2 4.27Å; L290-I306 HydrophobicContact CD2-CG2 3.99Å; T292-I306 HydrophobicContact CG2-CB 3.97Å; T292-I306 HydrophobicContact CG2-CD1 4.09Å; T292-I306 HydrophobicContact CG2-CG2 3.71Å; I302-I306 HydrophobicContact CG2-CD1 4.05Å; I302-I306 PolarHBondContact O-N 3.45Å; I302-I306 VanDerWaalsContact O-N 3.1Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 2.89Å; I306-R309 PolarHBondContact O-N 2.66Å; I306-V310 HydrophobicContact CG2-CG2 4.36Å; I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.39Å; I306-V310 PolarHBondContact O-N 3.28Å
307	C	98.6	Very high	98.4	Very high	28 Å²	28	58.2 Å²	58.2	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-44.4	177.1	-72.5	0	0	0	0	112.2	G303 A304 E305 M311 V323	G303-C307 WeakPolarHBondContact O-CB 3.27Å; G303-C307 PolarHBondContact O-N 3.1Å; G303-C307 PolarHBondContact O-SG 3.32Å; A304-C307 PolarHBondContact O-N 3.08Å; E305-C307 VanDerWaalsContact C-N 3.34Å; E305-C307 PolarHBondContact O-N 2.95Å; C307-M311 WeakPolarHBondContact O-CB 3.46Å; C307-M311 PolarHBondContact O-N 2.73Å; C307-M311 VanDerWaalsContact O-N 3.12Å; C307-V323 WeakPolarHBondContact SG-CG1 3.37Å
308	A	98.7	Very high	98.4	Very high	38 Å²	38	58.7 Å²	58.7	31%	0.314	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-49.2	178.6	0	0	0	0	0	111.3	A304 E305 I306 V310 M311 E312	A304-A308 PolarHBondContact O-N 3.31Å; E305-A308 PolarHBondContact O-N 3.43Å; E305-A308 VanDerWaalsContact O-N 3.15Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 2.89Å; A308-V310 PolarHBondContact O-N 3.38Å; A308-M311 WeakPolarHBondContact O-CB 3.19Å; A308-M311 PolarHBondContact O-N 3.06Å; A308-M311 VanDerWaalsContact O-N 3.08Å; A308-E312 WeakPolarHBondContact O-CG 3.46Å; A308-E312 PolarHBondContact O-N 3.15Å
309	R	98.5	Very high	98.4	Very high	79 Å²	79	59 Å²	59	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-34.8	-178.2	-62.4	-55.3	-67.3	-85.4	-3.8	113.5	E277 F281 E305 I306 T313	E277-R309 IonicContact OE1-CZ 2.97Å; E277-R309 IonicContact OE1-NE 3.32Å; E277-R309 IonicContact OE1-NH1 3.61Å; E277-R309 PolarHBondContact OE1-NH1 2.81Å; E277-R309 IonicContact OE1-NH2 2.61Å; E277-R309 PolarHBondContact OE1-NH2 2.98Å; E277-R309 IonicContact OE2-CZ 3.03Å; E277-R309 IonicContact OE2-NE 3.59Å; E277-R309 PolarHBondContact OE2-NE 3.23Å; E277-R309 IonicContact OE2-NH1 3.05Å; E277-R309 IonicContact OE2-NH2 2.94Å; E277-R309 PolarHBondContact OE2-NH2 2.76Å; F281-R309 HydrophobicContact CE1-CB 4.37Å; F281-R309 HydrophobicContact CZ-CB 4.09Å; E305-R309 HydrophobicContact CG-CG 4.26Å; E305-R309 VanDerWaalsContact O-CG 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.47Å; E305-R309 PolarHBondContact O-N 3.08Å; E305-R309 VanDerWaalsContact OE1-CD 3.29Å; E305-R309 WeakPolarHBondContact OE1-CD 3.3Å; E305-R309 WeakPolarHBondContact OE1-CG 3.34Å; E305-R309 IonicContact OE1-NH1 2.68Å; I306-R309 PolarHBondContact O-N 2.66Å; R309-T313 VanDerWaalsContact O-CG2 3.31Å; R309-T313 WeakPolarHBondContact O-CG2 3.49Å; R309-T313 PolarHBondContact O-OG1 2.86Å; R309-T313 VanDerWaalsContact O-OG1 3.05Å
310	V	98.6	Very high	98.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-41.2	172	171.4	0	0	0	0	111.1	I280 F281 L290 I306 A308 T313 T315 F316 L319 V323	I280-V310 HydrophobicContact CG2-CG2 4.46Å; F281-V310 HydrophobicContact CD1-CG2 4.03Å; F281-V310 HydrophobicContact CE1-CG2 3.81Å; L290-V310 HydrophobicContact CD2-CG2 3.82Å; I306-V310 HydrophobicContact CG2-CG2 4.36Å; I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.39Å; I306-V310 PolarHBondContact O-N 3.28Å; A308-V310 PolarHBondContact O-N 3.38Å; V310-T313 PolarHBondContact O-OG1 3.46Å; V310-T315 HydrophobicContact CG1-CG2 4Å; V310-F316 PolarHBondContact O-N 2.98Å; V310-L319 HydrophobicContact CG1-CD1 3.7Å; V310-L319 HydrophobicContact CG1-CG 4.4Å; V310-V323 HydrophobicContact CG1-CG2 4.41Å
311	M	98.4	Very high	98.4	Very high	114 Å²	114	55.1 Å²	55.1	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-68.9	-34.2	179	-174.9	66.9	73.7	0	0	112.9	C307 A308 T313 F316	C307-M311 WeakPolarHBondContact O-CB 3.46Å; C307-M311 PolarHBondContact O-N 2.73Å; C307-M311 VanDerWaalsContact O-N 3.12Å; A308-M311 WeakPolarHBondContact O-CB 3.19Å; A308-M311 PolarHBondContact O-N 3.06Å; A308-M311 VanDerWaalsContact O-N 3.08Å; M311-T313 VanDerWaalsContact C-N 3.3Å; M311-T313 PolarHBondContact O-N 2.9Å; M311-F316 HydrophobicContact CE-CD2 4.01Å; M311-F316 HydrophobicContact CE-CE2 3.82Å; M311-F316 HydrophobicContact SD-CD1 4.5Å; M311-F316 HydrophobicContact SD-CD2 3.28Å; M311-F316 WeakPolarHBondContact SD-CD2 3.47Å; M311-F316 HydrophobicContact SD-CE2 3.36Å; M311-F316 WeakPolarHBondContact SD-CE2 3.28Å; M311-F316 HydrophobicContact SD-CG 3.9Å; M311-F316 HydrophobicContact SD-CZ 4.02Å
312	E	98.5	Very high	98.4	Very high	148 Å²	148	59.5 Å²	59.5	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.7	-177.2	-71.4	177.1	153.5	0	0	114.4	A308	A308-E312 WeakPolarHBondContact O-CG 3.46Å; A308-E312 PolarHBondContact O-N 3.15Å
313	T	98.2	Very high	98.4	Very high	40 Å²	40	60.4 Å²	60.4	25%	0.245	32%	0.318	C	S	.	.	S	Bend	trans	-119.9	173.2	-176.1	59.8	0	0	0	0	112.6	F281 R309 V310 M311 T315 F316	F281-T313 HydrophobicContact CE2-CG2 3.96Å; F281-T313 HydrophobicContact CZ-CG2 3.98Å; R309-T313 VanDerWaalsContact O-CG2 3.31Å; R309-T313 WeakPolarHBondContact O-CG2 3.49Å; R309-T313 PolarHBondContact O-OG1 2.86Å; R309-T313 VanDerWaalsContact O-OG1 3.05Å; V310-T313 PolarHBondContact O-OG1 3.46Å; M311-T313 VanDerWaalsContact C-N 3.3Å; M311-T313 PolarHBondContact O-N 2.9Å; T313-T315 PolarHBondContact O-N 3.01Å; T313-T315 WeakPolarHBondContact OG1-CB 3.36Å; T313-T315 PolarHBondContact OG1-OG1 2.58Å; T313-F316 WeakPolarHBondContact O-CB 3.38Å; T313-F316 PolarHBondContact O-N 3.3Å
314	D	97.7	Very high	98.4	Very high	89 Å²	89	62.9 Å²	62.9	48%	0.476	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20.3	176.2	71.1	-33.2	0	0	0	113	K285 F316 N317	K285-D314 IonicContact NZ-OD1 2.88Å; K285-D314 PolarHBondContact NZ-OD1 3.37Å; K285-D314 IonicContact NZ-OD2 3.35Å; K285-D314 PolarHBondContact NZ-OD2 2.89Å; D314-F316 PolarHBondContact O-N 3.29Å; D314-N317 WeakPolarHBondContact O-CB 3.42Å; D314-N317 PolarHBondContact O-N 3.48Å; D314-N317 VanDerWaalsContact O-N 3.09Å; D314-N317 PolarHBondContact O-ND2 2.97Å
315	T	98.3	Very high	98.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-52.3	-34.8	172.3	-51.4	0	0	0	0	112.5	F281 V284 K285 V310 T313 N317 Y318	F281-T315 HydrophobicContact CB-CG2 4.2Å; F281-T315 WeakPolarHBondContact CB-OG1 3.47Å; F281-T315 HydrophobicContact CD1-CG2 4.08Å; F281-T315 HydrophobicContact CG-CG2 4.39Å; F281-T315 WeakPolarHBondContact CG-OG1 3.47Å; V284-T315 HydrophobicContact CB-CG2 3.79Å; V284-T315 HydrophobicContact CG1-CG2 3.66Å; K285-T315 WeakPolarHBondContact CE-OG1 3.36Å; K285-T315 HydrophobicContact CG-CG2 4.4Å; V310-T315 HydrophobicContact CG1-CG2 4Å; T313-T315 PolarHBondContact O-N 3.01Å; T313-T315 WeakPolarHBondContact OG1-CB 3.36Å; T313-T315 PolarHBondContact OG1-OG1 2.58Å; T315-N317 PolarHBondContact O-N 3Å; T315-N317 VanDerWaalsContact O-N 3.17Å; T315-Y318 WeakPolarHBondContact O-CB 3.46Å; T315-Y318 PolarHBondContact O-N 2.78Å
316	F	98.6	Very high	98.4	Very high	93 Å²	93	62.4 Å²	62.4	41%	0.408	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-51.8	-39	176	171.3	-113.3	0	0	0	112.9	V310 M311 T313 D314 Y318 L319	V310-F316 PolarHBondContact O-N 2.98Å; M311-F316 HydrophobicContact CE-CD2 4.01Å; M311-F316 HydrophobicContact CE-CE2 3.82Å; M311-F316 HydrophobicContact SD-CD1 4.5Å; M311-F316 HydrophobicContact SD-CD2 3.28Å; M311-F316 WeakPolarHBondContact SD-CD2 3.47Å; M311-F316 HydrophobicContact SD-CE2 3.36Å; M311-F316 WeakPolarHBondContact SD-CE2 3.28Å; M311-F316 HydrophobicContact SD-CG 3.9Å; M311-F316 HydrophobicContact SD-CZ 4.02Å; T313-F316 WeakPolarHBondContact O-CB 3.38Å; T313-F316 PolarHBondContact O-N 3.3Å; D314-F316 PolarHBondContact O-N 3.29Å; F316-Y318 PolarHBondContact O-N 3.35Å; F316-Y318 VanDerWaalsContact O-N 3.1Å; F316-L319 HydrophobicContact CD2-CD1 4.43Å; F316-L319 PolarHBondContact O-N 2.88Å; F316-L319 VanDerWaalsContact O-N 3.16Å
317	N	98.4	Very high	98.4	Very high	127 Å²	127	63.7 Å²	63.7	68%	0.679	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-69.5	-8.4	-177.9	-59.7	-56.5	0	0	0	113.8	D314 T315	D314-N317 WeakPolarHBondContact O-CB 3.42Å; D314-N317 PolarHBondContact O-N 3.48Å; D314-N317 VanDerWaalsContact O-N 3.09Å; D314-N317 PolarHBondContact O-ND2 2.97Å; T315-N317 PolarHBondContact O-N 3Å; T315-N317 VanDerWaalsContact O-N 3.17Å
318	Y	98.5	Very high	98.4	Very high	103 Å²	103	62.5 Å²	62.5	40%	0.404	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-99.2	-7.6	178	-69.1	-102	0	0	0	112.9	K285 H288 T315 F316	K285-Y318 HydrophobicContact CB-CD1 4Å; K285-Y318 HydrophobicContact CB-CE1 4.34Å; K285-Y318 HydrophobicContact CB-CG 4.18Å; K285-Y318 HydrophobicContact CD-CD2 4.34Å; K285-Y318 HydrophobicContact CD-CE2 4.2Å; K285-Y318 HydrophobicContact CG-CD1 4.01Å; K285-Y318 HydrophobicContact CG-CD2 3.78Å; K285-Y318 HydrophobicContact CG-CE1 4.31Å; K285-Y318 HydrophobicContact CG-CE2 4.09Å; K285-Y318 HydrophobicContact CG-CG 3.74Å; H288-Y318 WeakPolarHBondContact CA-O 3.27Å; H288-Y318 WeakPolarHBondContact CB-O 3.06Å; H288-Y318 PolarHBondContact ND1-O 3.49Å; T315-Y318 WeakPolarHBondContact O-CB 3.46Å; T315-Y318 PolarHBondContact O-N 2.78Å; F316-Y318 PolarHBondContact O-N 3.35Å; F316-Y318 VanDerWaalsContact O-N 3.1Å
319	L	98.5	Very high	98.3	Very high	30 Å²	30	62.3 Å²	62.3	16%	0.157	32%	0.318	C	S	.	.			trans	-77.9	125.5	178.9	-76.3	172.7	0	0	0	111.3	V284 H288 L290 V310 F316 V323	V284-L319 HydrophobicContact CG1-CD2 3.56Å; V284-L319 HydrophobicContact CG1-CG 4.05Å; H288-L319 WeakPolarHBondContact O-CA 3.44Å; L290-L319 HydrophobicContact CB-CD2 4.38Å; V310-L319 HydrophobicContact CG1-CD1 3.7Å; V310-L319 HydrophobicContact CG1-CG 4.4Å; F316-L319 HydrophobicContact CD2-CD1 4.43Å; F316-L319 PolarHBondContact O-N 2.88Å; F316-L319 VanDerWaalsContact O-N 3.16Å; L319-V323 HydrophobicContact CD1-CG2 3.68Å; L319-V323 HydrophobicContact CD2-CG2 4.26Å
320	D	98.2	Very high	98.3	Very high	107 Å²	107	63.6 Å²	63.6	57%	0.572	33%	0.331	S	S	*	.	S	Bend	trans	-88.9	-10.4	174.2	-77.3	-13	0	0	0	112.7	H288 Y289	H288-D320 HydrophobicContact CB-CB 4.22Å; H288-D320 PolarHBondContact O-N 3.27Å; Y289-D320 HydrophobicContact CD1-CB 4.46Å; Y289-D320 HydrophobicContact CE1-CB 3.71Å; Y289-D320 HydrophobicContact CE2-CB 4.19Å; Y289-D320 VanDerWaalsContact CZ-CB 3.49Å; Y289-D320 VanDerWaalsContact OH-CB 3.31Å; Y289-D320 WeakPolarHBondContact OH-CB 3.48Å; Y289-D320 PolarHBondContact OH-OD2 2.89Å
321	A	97.9	Very high	98.3	Very high	17 Å²	17	67.2 Å²	67.2	14%	0.14	35%	0.35	C	S	.	.	S	Bend	trans	-153.2	159.8	179.1	0	0	0	0	0	110.8	Y289 V357	Y289-A321 HydrophobicContact CD1-CB 3.77Å; Y289-A321 HydrophobicContact CE1-CB 3.75Å; A321-V357 HydrophobicContact CB-CG1 4Å; A321-V357 WeakPolarHBondContact CB-O 3.43Å
322	P	97.6	Very high	98.3	Very high	97 Å²	97	66.1 Å²	66.1	63%	0.63	35%	0.351	S	S	*	.			trans	-60.4	147	175.1	26.4	-35.9	0	0	0	111.8	L324	P322-L324 PolarHBondContact O-N 3.1Å
323	V	98.2	Very high	98.3	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.176	32%	0.321	C	S	.	.			trans	-69.6	126.1	171.5	-172.8	0	0	0	0	109.3	L290 T292 C307 V310 L319	L290-V323 HydrophobicContact CB-CG1 3.95Å; L290-V323 HydrophobicContact CB-CG2 4.09Å; L290-V323 HydrophobicContact CD2-CB 4.5Å; L290-V323 HydrophobicContact CD2-CG1 3.65Å; L290-V323 HydrophobicContact CD2-CG2 4.01Å; L290-V323 HydrophobicContact CG-CG1 3.64Å; L290-V323 HydrophobicContact CG-CG2 4.41Å; T292-V323 HydrophobicContact CG2-CG1 4.42Å; C307-V323 WeakPolarHBondContact SG-CG1 3.37Å; V310-V323 HydrophobicContact CG1-CG2 4.41Å; L319-V323 HydrophobicContact CD1-CG2 3.68Å; L319-V323 HydrophobicContact CD2-CG2 4.26Å
324	L	98.4	Very high	98.3	Very high	55 Å²	55	59 Å²	59	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.3	173.8	-61.7	-169.8	0	0	0	111.2	L290 V291 T292 P322 T353 M356 V357	L290-L324 PolarHBondContact O-N 2.86Å; V291-L324 VanDerWaalsContact CA-O 3.32Å; V291-L324 WeakPolarHBondContact CA-O 3.38Å; T292-L324 PolarHBondContact N-O 3.4Å; T292-L324 VanDerWaalsContact N-O 3.09Å; P322-L324 PolarHBondContact O-N 3.1Å; L324-T353 HydrophobicContact CB-CG2 3.62Å; L324-T353 HydrophobicContact CD1-CG2 3.94Å; L324-T353 HydrophobicContact CG-CG2 4.42Å; L324-M356 HydrophobicContact CD1-CB 4.44Å; L324-M356 HydrophobicContact CD1-CE 4.49Å; L324-V357 HydrophobicContact CB-CG2 3.93Å; L324-V357 HydrophobicContact CD1-CG2 3.51Å; L324-V357 HydrophobicContact CG-CG2 3.56Å
325	R	98.7	Very high	98.3	Very high	100 Å²	100	63 Å²	63	38%	0.377	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	-177.4	-51.8	-172.2	-69	141.4	2	109.8	T292 P298 G303 T327	T292-R325 WeakPolarHBondContact O-CA 3.31Å; T292-R325 WeakPolarHBondContact OG1-CG 3.29Å; P298-R325 PolarHBondContact O-NH1 3.41Å; P298-R325 PolarHBondContact O-NH2 3.43Å; G303-R325 VanDerWaalsContact C-CD 3.49Å; G303-R325 WeakPolarHBondContact O-CD 3.48Å; R325-T327 HydrophobicContact CB-CG2 4.15Å
326	V	98.7	Very high	98.2	Very high	11 Å²	11	65 Å²	65	7%	0.067	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.3	171.6	-170.6	0	0	0	0	107.4	V291 T292 V293 E294 P345 N349 I350 T353	V291-V326 HydrophobicContact CG1-CG2 3.8Å; T292-V326 PolarHBondContact O-N 3.49Å; V293-V326 CarbonylContact C-O 3.06Å; V293-V326 VanDerWaalsContact CA-O 3.29Å; V293-V326 WeakPolarHBondContact CA-O 3.48Å; V293-V326 HydrophobicContact CG1-CB 4.44Å; V293-V326 HydrophobicContact CG2-CB 4.25Å; V293-V326 HydrophobicContact CG2-CG2 4.5Å; E294-V326 PolarHBondContact N-O 3.04Å; V326-P345 HydrophobicContact CG1-CB 3.76Å; V326-P345 HydrophobicContact CG1-CG 4.08Å; V326-N349 HydrophobicContact CG1-CB 3.9Å; V326-I350 HydrophobicContact CG1-CG1 4.36Å; V326-T353 HydrophobicContact CG2-CG2 3.88Å; V326-T353 WeakPolarHBondContact CG2-OG1 3.25Å
327	T	98.7	Very high	98.1	Very high	31 Å²	31	65.1 Å²	65.1	19%	0.19	35%	0.348	C	S	.	.			trans	-130.1	171.9	-170.4	68.5	0	0	0	0	111.3	E294 P298 R325 P345	E294-T327 HydrophobicContact CG-CG2 3.92Å; E294-T327 CarbonylContact O-C 3.59Å; E294-T327 WeakPolarHBondContact O-CA 2.94Å; P298-T327 HydrophobicContact CB-CG2 4.13Å; P298-T327 WeakPolarHBondContact CB-OG1 3.45Å; R325-T327 HydrophobicContact CB-CG2 4.15Å; T327-P345 VanDerWaalsContact C-CG 3.46Å; T327-P345 WeakPolarHBondContact O-CG 3.26Å
328	G	98.2	Very high	98.1	Very high	3 Å²	3	64.4 Å²	64.4	3%	0.031	34%	0.344	C	S	.	.			trans	-57	154.8	158.8	0	0	0	0	0	111.2	E294 G296 P298 S343	E294-G328 PolarHBondContact O-N 3.02Å; G296-G328 WeakPolarHBondContact O-CA 3.48Å; G296-G328 PolarHBondContact O-N 3.44Å; P298-G328 WeakPolarHBondContact CD-O 3.47Å; G328-S343 CarbonylContact C-O 3.6Å; G328-S343 VanDerWaalsContact CA-O 3.28Å; G328-S343 WeakPolarHBondContact CA-O 3.35Å
329	A	98.2	Very high	98	Very high	35 Å²	35	63.7 Å²	63.7	29%	0.289	35%	0.347	S	S	.	.			trans	-65.9	146.1	174.4	0	0	0	0	0	110.7	I331 S343	A329-I331 HydrophobicContact CB-CD1 4.38Å; A329-I331 HydrophobicContact CB-CG1 4Å; A329-I331 PolarHBondContact O-N 2.94Å; A329-S343 PolarHBondContact N-O 2.73Å
330	D	98.2	Very high	98	Very high	106 Å²	106	62.9 Å²	62.9	57%	0.567	34%	0.342	S	S	*	.	S	Bend	trans	-78.7	60.2	-178.1	-162.1	16.2	0	0	0	112.2	P298	P298-D330 HydrophobicContact CG-CB 3.71Å
331	I	97.9	Very high	97.8	Very high	76 Å²	76	66.1 Å²	66.1	39%	0.39	35%	0.347	S	S	.	.	S	Bend	trans	-144.9	155.1	-179.7	59.2	173.2	0	0	0	110.4	W297 A329 P334	W297-I331 PolarHBondContact NE1-O 2.72Å; A329-I331 HydrophobicContact CB-CD1 4.38Å; A329-I331 HydrophobicContact CB-CG1 4Å; A329-I331 PolarHBondContact O-N 2.94Å; I331-P334 HydrophobicContact CD1-CG 4.29Å
332	P	98.2	Very high	97.8	Very high	92 Å²	92	69.1 Å²	69.1	60%	0.597	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-58.3	139	160	-19.5	32	0	0	0	110.2	A157 P334	A157-P332 HydrophobicContact CB-CB 3.7Å; P332-P334 VanDerWaalsContact O-CD 3.32Å; P332-P334 WeakPolarHBondContact O-CD 3.42Å
333	M	98.3	Very high	97.8	Very high	13 Å²	13	64.7 Å²	64.7	6%	0.064	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-62.1	119.2	-173.2	-172.5	55.7	43.5	0	0	112.5	A156 A157 S160 E340 Y344	A156-M333 CarbonylContact C-O 3.56Å; A157-M333 WeakPolarHBondContact CA-O 3.3Å; A157-M333 PolarHBondContact N-O 3.11Å; S160-M333 VanDerWaalsContact CB-CB 3.5Å; S160-M333 WeakPolarHBondContact OG-CG 3.44Å; M333-E340 HydrophobicContact CG-CG 4.49Å; M333-E340 HydrophobicContact SD-CB 4.35Å; M333-E340 HydrophobicContact SD-CG 3.85Å; M333-Y344 HydrophobicContact CE-CD1 3.99Å; M333-Y344 HydrophobicContact CE-CD2 4.48Å; M333-Y344 HydrophobicContact CE-CE1 3.19Å; M333-Y344 HydrophobicContact CE-CE2 3.79Å; M333-Y344 WeakPolarHBondContact CE-OH 3.26Å; M333-Y344 WeakPolarHBondContact CG-OH 3.43Å; M333-Y344 HydrophobicContact SD-CD2 4.45Å; M333-Y344 HydrophobicContact SD-CE1 4.16Å; M333-Y344 HydrophobicContact SD-CE2 3.6Å; M333-Y344 VanDerWaalsContact SD-CE2 3.6Å; M333-Y344 PolarHBondContact SD-OH 3.08Å
334	P	98	Very high	97.6	Very high	26 Å²	26	64.8 Å²	64.8	17%	0.169	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-74.6	150.5	177.2	30	-35.4	0	0	0	111.9	I331 P332 L339 S343	I331-P334 HydrophobicContact CD1-CG 4.29Å; P332-P334 VanDerWaalsContact O-CD 3.32Å; P332-P334 WeakPolarHBondContact O-CD 3.42Å; P334-L339 HydrophobicContact CB-CB 3.76Å; P334-L339 HydrophobicContact CB-CD1 4.15Å; P334-L339 HydrophobicContact CG-CB 3.44Å; P334-L339 VanDerWaalsContact CG-CB 3.44Å; P334-S343 WeakPolarHBondContact CD-OG 3.2Å
335	Y	98	Very high	97.5	Very high	172 Å²	172	62.6 Å²	62.6	68%	0.675	33%	0.329	S	S	*	.	S	Bend	trans	-76.3	-34.3	176.8	172	-106.7	0	0	0	113.6	G154 L337	G154-Y335 WeakPolarHBondContact O-CD2 3.33Å; G154-Y335 WeakPolarHBondContact O-CE2 3.38Å; Y335-L337 PolarHBondContact O-N 3.48Å
336	A	97.6	Very high	97.5	Very high	41 Å²	41	61.2 Å²	61.2	34%	0.339	33%	0.329	S	S	.	.	S	Bend	trans	-65.9	123.3	-174.1	0	0	0	0	0	110.7	N338 L339 E340	A336-N338 VanDerWaalsContact C-N 3.26Å; A336-N338 PolarHBondContact O-N 3.33Å; A336-N338 VanDerWaalsContact O-N 3.08Å; A336-L339 HydrophobicContact CB-CB 4.44Å; A336-L339 HydrophobicContact CB-CD1 4.12Å; A336-L339 HydrophobicContact CB-CG 4.17Å; A336-L339 CarbonylContact O-C 3.41Å; A336-L339 WeakPolarHBondContact O-CA 3.38Å; A336-L339 WeakPolarHBondContact O-CB 3.49Å; A336-L339 PolarHBondContact O-N 2.79Å; A336-E340 PolarHBondContact O-N 3.25Å
337	L	96.4	Very high	97.4	Very high	97 Å²	97	62.2 Å²	62.2	51%	0.508	34%	0.335	S	S	.	.	H	α-helix	trans	-50.2	-40.4	-171.2	179.8	63.8	0	0	0	114.5	Y335 L339 R341	Y335-L337 PolarHBondContact O-N 3.48Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-R341 HydrophobicContact CD1-CG 4.25Å; L337-R341 WeakPolarHBondContact O-CB 3.34Å; L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.32Å; L337-R341 PolarHBondContact O-N 2.84Å
338	N	97.1	Very high	97.4	Very high	111 Å²	111	66.4 Å²	66.4	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-66.9	-36	178.3	62.6	-53.3	0	0	0	112.3	A336 A342	A336-N338 VanDerWaalsContact C-N 3.26Å; A336-N338 PolarHBondContact O-N 3.33Å; A336-N338 VanDerWaalsContact O-N 3.08Å; N338-A342 WeakPolarHBondContact O-CB 3.21Å; N338-A342 PolarHBondContact O-N 2.91Å
339	L	97.7	Very high	97.4	Very high	88 Å²	88	69.2 Å²	69.2	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-77.6	-40.9	176.9	-56.9	-178.5	0	0	0	111.1	P334 A336 L337 A342 S343	P334-L339 HydrophobicContact CB-CB 3.76Å; P334-L339 HydrophobicContact CB-CD1 4.15Å; P334-L339 HydrophobicContact CG-CB 3.44Å; P334-L339 VanDerWaalsContact CG-CB 3.44Å; A336-L339 HydrophobicContact CB-CB 4.44Å; A336-L339 HydrophobicContact CB-CD1 4.12Å; A336-L339 HydrophobicContact CB-CG 4.17Å; A336-L339 CarbonylContact O-C 3.41Å; A336-L339 WeakPolarHBondContact O-CA 3.38Å; A336-L339 WeakPolarHBondContact O-CB 3.49Å; A336-L339 PolarHBondContact O-N 2.79Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L339-A342 CarbonylContact O-C 3.39Å; L339-A342 PolarHBondContact O-N 2.93Å; L339-S343 WeakPolarHBondContact O-CB 3.43Å; L339-S343 PolarHBondContact O-N 2.82Å; L339-S343 PolarHBondContact O-OG 3.36Å
340	E	97.5	Very high	97.4	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.065	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-48.8	176	-178	178.3	-119.3	0	0	110.7	G154 M333 A336 A342 S343 Y344	G154-E340 WeakPolarHBondContact CA-OE1 3.43Å; G154-E340 PolarHBondContact N-OE1 3.41Å; G154-E340 PolarHBondContact N-OE2 2.72Å; M333-E340 HydrophobicContact CG-CG 4.49Å; M333-E340 HydrophobicContact SD-CB 4.35Å; M333-E340 HydrophobicContact SD-CG 3.85Å; A336-E340 PolarHBondContact O-N 3.25Å; E340-A342 VanDerWaalsContact C-N 3.3Å; E340-A342 PolarHBondContact O-N 3.43Å; E340-S343 WeakPolarHBondContact O-CB 3.41Å; E340-S343 PolarHBondContact O-N 2.81Å; E340-Y344 HydrophobicContact CG-CD2 4.42Å; E340-Y344 HydrophobicContact CG-CE2 3.84Å; E340-Y344 WeakPolarHBondContact O-CD2 3.33Å
341	R	95.3	Very high	97.4	Very high	175 Å²	175	63.1 Å²	63.1	66%	0.66	33%	0.33	S	S	*	.	H	α-helix	trans	-59	-40.1	175.9	-74.7	176.7	179.5	-177.8	0.2	112.9	L337 S343	L337-R341 HydrophobicContact CD1-CG 4.25Å; L337-R341 WeakPolarHBondContact O-CB 3.34Å; L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.32Å; L337-R341 PolarHBondContact O-N 2.84Å; R341-S343 PolarHBondContact O-N 2.82Å
342	A	96.7	Very high	97.4	Very high	80 Å²	80	62 Å²	62	66%	0.661	33%	0.326	S	S	*	.	H	α-helix	trans	-73.8	-11.2	177.4	0	0	0	0	0	113.4	N338 L339 E340	N338-A342 WeakPolarHBondContact O-CB 3.21Å; N338-A342 PolarHBondContact O-N 2.91Å; L339-A342 CarbonylContact O-C 3.39Å; L339-A342 PolarHBondContact O-N 2.93Å; E340-A342 VanDerWaalsContact C-N 3.3Å; E340-A342 PolarHBondContact O-N 3.43Å
343	S	97.7	Very high	97.4	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.028	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.1	-178.3	-57.9	0	0	0	0	113.4	G328 A329 P334 L339 E340 R341	G328-S343 CarbonylContact C-O 3.6Å; G328-S343 VanDerWaalsContact CA-O 3.28Å; G328-S343 WeakPolarHBondContact CA-O 3.35Å; A329-S343 PolarHBondContact N-O 2.73Å; P334-S343 WeakPolarHBondContact CD-OG 3.2Å; L339-S343 WeakPolarHBondContact O-CB 3.43Å; L339-S343 PolarHBondContact O-N 2.82Å; L339-S343 PolarHBondContact O-OG 3.36Å; E340-S343 WeakPolarHBondContact O-CB 3.41Å; E340-S343 PolarHBondContact O-N 2.81Å; R341-S343 PolarHBondContact O-N 2.82Å
344	Y	95	Very high	97.4	Very high	30 Å²	30	58 Å²	58	12%	0.118	30%	0.301	C	S	.	.	S	Bend	trans	-117.6	150.1	178.7	-62.9	-57.1	0	0	0	111.7	C151 M333 E340 D346	C151-Y344 HydrophobicContact CB-CD1 4.09Å; C151-Y344 HydrophobicContact CB-CD2 4.36Å; C151-Y344 HydrophobicContact CB-CE1 3.3Å; C151-Y344 HydrophobicContact CB-CE2 3.63Å; C151-Y344 WeakPolarHBondContact CB-OH 3.32Å; M333-Y344 HydrophobicContact CE-CD1 3.99Å; M333-Y344 HydrophobicContact CE-CD2 4.48Å; M333-Y344 HydrophobicContact CE-CE1 3.19Å; M333-Y344 HydrophobicContact CE-CE2 3.79Å; M333-Y344 WeakPolarHBondContact CE-OH 3.26Å; M333-Y344 WeakPolarHBondContact CG-OH 3.43Å; M333-Y344 HydrophobicContact SD-CD2 4.45Å; M333-Y344 HydrophobicContact SD-CE1 4.16Å; M333-Y344 HydrophobicContact SD-CE2 3.6Å; M333-Y344 VanDerWaalsContact SD-CE2 3.6Å; M333-Y344 PolarHBondContact SD-OH 3.08Å; E340-Y344 HydrophobicContact CG-CD2 4.42Å; E340-Y344 HydrophobicContact CG-CE2 3.84Å; E340-Y344 WeakPolarHBondContact O-CD2 3.33Å; Y344-D346 PolarHBondContact O-N 3.3Å
345	P	96.5	Very high	97.4	Very high	9 Å²	9	59 Å²	59	6%	0.058	30%	0.303	C	S	.	.			trans	-56.7	131	169.5	-25.6	34.4	0	0	0	112.3	V293 E294 V326 T327	V293-P345 HydrophobicContact CG1-CB 4.25Å; E294-P345 WeakPolarHBondContact O-CG 3.22Å; V326-P345 HydrophobicContact CG1-CB 3.76Å; V326-P345 HydrophobicContact CG1-CG 4.08Å; T327-P345 VanDerWaalsContact C-CG 3.46Å; T327-P345 WeakPolarHBondContact O-CG 3.26Å
346	D	96.9	Very high	97.3	Very high	72 Å²	72	56.4 Å²	56.4	39%	0.385	30%	0.298	S	S	.	.			trans	-114.2	174.6	166.1	72.2	17.7	0	0	0	112	T249 Y344 H348 N349 I350	T249-D346 VanDerWaalsContact CG2-C 3.48Å; Y344-D346 PolarHBondContact O-N 3.3Å; D346-H348 PolarHBondContact O-N 3.25Å; D346-H348 WeakPolarHBondContact OD1-CA 3.47Å; D346-H348 VanDerWaalsContact OD1-CB 3.3Å; D346-H348 WeakPolarHBondContact OD1-CB 3.02Å; D346-H348 PolarHBondContact OD1-N 2.89Å; D346-N349 PolarHBondContact N-OD1 3.2Å; D346-N349 PolarHBondContact O-N 3.15Å; D346-N349 PolarHBondContact OD1-N 3.46Å; D346-N349 PolarHBondContact OD1-OD1 3.25Å; D346-N349 VanDerWaalsContact OD1-OD1 3.11Å; D346-I350 PolarHBondContact O-N 2.81Å
347	T	98	Very high	97.3	Very high	31 Å²	31	54.8 Å²	54.8	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-53.6	-40.2	176.7	-53.8	0	0	0	0	111.9	A252 A253 E256 I350 V351	A252-T347 HydrophobicContact CB-CG2 4.29Å; A253-T347 HydrophobicContact CB-CG2 3.98Å; E256-T347 VanDerWaalsContact CD-CG2 3.44Å; E256-T347 HydrophobicContact CG-CG2 4.1Å; E256-T347 WeakPolarHBondContact OE2-CG2 3.33Å; T347-I350 PolarHBondContact O-N 2.85Å; T347-V351 HydrophobicContact CG2-CG2 4.3Å; T347-V351 VanDerWaalsContact O-CG2 3.27Å; T347-V351 WeakPolarHBondContact O-CG2 3.42Å; T347-V351 PolarHBondContact O-N 3.31Å
348	H	97.7	Very high	97.2	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-67.3	-40.5	-177.8	174.2	69.2	0	0	0	111.9	D346 I350 V351 T352	D346-H348 PolarHBondContact O-N 3.25Å; D346-H348 WeakPolarHBondContact OD1-CA 3.47Å; D346-H348 VanDerWaalsContact OD1-CB 3.3Å; D346-H348 WeakPolarHBondContact OD1-CB 3.02Å; D346-H348 PolarHBondContact OD1-N 2.89Å; H348-I350 VanDerWaalsContact C-N 3.32Å; H348-I350 PolarHBondContact O-N 2.96Å; H348-V351 PolarHBondContact O-N 3.31Å; H348-T352 PolarHBondContact CE1-OG1 3.36Å; H348-T352 VanDerWaalsContact O-CB 3.24Å; H348-T352 WeakPolarHBondContact O-CB 3.45Å; H348-T352 PolarHBondContact O-N 3.36Å; H348-T352 PolarHBondContact O-OG1 2.98Å
349	N	98.1	Very high	97	Very high	61 Å²	61	53.9 Å²	53.9	33%	0.326	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.4	-54.4	139.9	0	0	0	111.2	V326 D346 T353	V326-N349 HydrophobicContact CG1-CB 3.9Å; D346-N349 PolarHBondContact N-OD1 3.2Å; D346-N349 PolarHBondContact O-N 3.15Å; D346-N349 PolarHBondContact OD1-N 3.46Å; D346-N349 PolarHBondContact OD1-OD1 3.25Å; D346-N349 VanDerWaalsContact OD1-OD1 3.11Å; N349-T353 WeakPolarHBondContact O-CB 3.28Å; N349-T353 PolarHBondContact O-N 2.91Å; N349-T353 PolarHBondContact O-OG1 3.46Å
350	I	98.6	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-50.6	179.1	-58.4	171.8	0	0	0	110.7	L240 T249 A253 V293 V326 D346 T347 H348 T352 T353 V354	L240-I350 HydrophobicContact CD1-CG2 4.02Å; L240-I350 HydrophobicContact CD2-CG2 4.15Å; T249-I350 HydrophobicContact CG2-CD1 3.54Å; A253-I350 HydrophobicContact CB-CB 3.76Å; A253-I350 HydrophobicContact CB-CD1 4.2Å; A253-I350 HydrophobicContact CB-CG2 3.58Å; V293-I350 HydrophobicContact CG1-CD1 3.83Å; V293-I350 HydrophobicContact CG1-CG1 4.19Å; V293-I350 HydrophobicContact CG2-CD1 4.03Å; V293-I350 HydrophobicContact CG2-CG1 4.01Å; V293-I350 HydrophobicContact CG2-CG2 4.45Å; V326-I350 HydrophobicContact CG1-CG1 4.36Å; D346-I350 PolarHBondContact O-N 2.81Å; T347-I350 PolarHBondContact O-N 2.85Å; H348-I350 VanDerWaalsContact C-N 3.32Å; H348-I350 PolarHBondContact O-N 2.96Å; I350-T352 VanDerWaalsContact C-N 3.3Å; I350-T352 PolarHBondContact O-N 3.23Å; I350-T353 PolarHBondContact O-N 2.78Å; I350-T353 VanDerWaalsContact O-N 3.16Å; I350-V354 HydrophobicContact CG2-CG2 4.48Å; I350-V354 WeakPolarHBondContact O-CG2 3.49Å; I350-V354 PolarHBondContact O-N 3.04Å
351	V	98.4	Very high	95.3	Very high	13 Å²	13	63.6 Å²	63.6	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-58.2	-44.4	179.3	172.8	0	0	0	0	111	A253 E256 L257 T347 H348 V354 K355	A253-V351 HydrophobicContact CB-CG2 4.05Å; E256-V351 HydrophobicContact CB-CG2 4.01Å; L257-V351 HydrophobicContact CD2-CG1 4.07Å; L257-V351 HydrophobicContact CG-CG2 4.21Å; T347-V351 HydrophobicContact CG2-CG2 4.3Å; T347-V351 VanDerWaalsContact O-CG2 3.27Å; T347-V351 WeakPolarHBondContact O-CG2 3.42Å; T347-V351 PolarHBondContact O-N 3.31Å; H348-V351 PolarHBondContact O-N 3.31Å; V351-V354 PolarHBondContact O-N 3.35Å; V351-K355 WeakPolarHBondContact O-CG 3.42Å; V351-K355 PolarHBondContact O-N 3.2Å
352	T	98	Very high	95.3	Very high	52 Å²	52	58.1 Å²	58.1	32%	0.319	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-43.3	177.5	-59	0	0	0	0	111.3	H348 I350 K355 M356	H348-T352 PolarHBondContact CE1-OG1 3.36Å; H348-T352 VanDerWaalsContact O-CB 3.24Å; H348-T352 WeakPolarHBondContact O-CB 3.45Å; H348-T352 PolarHBondContact O-N 3.36Å; H348-T352 PolarHBondContact O-OG1 2.98Å; I350-T352 VanDerWaalsContact C-N 3.3Å; I350-T352 PolarHBondContact O-N 3.23Å; T352-K355 WeakPolarHBondContact O-CB 3.47Å; T352-K355 PolarHBondContact O-N 3.28Å; T352-M356 HydrophobicContact CG2-SD 4.36Å; T352-M356 WeakPolarHBondContact O-CG 3.35Å; T352-M356 PolarHBondContact O-N 3.23Å
353	T	98.4	Very high	95.2	Very high	22 Å²	22	56.9 Å²	56.9	14%	0.135	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-42	177.9	-57.4	0	0	0	0	111.5	V291 L324 V326 N349 I350 K355 M356 V357	V291-T353 HydrophobicContact CG1-CG2 3.85Å; V291-T353 HydrophobicContact CG2-CG2 4.09Å; L324-T353 HydrophobicContact CB-CG2 3.62Å; L324-T353 HydrophobicContact CD1-CG2 3.94Å; L324-T353 HydrophobicContact CG-CG2 4.42Å; V326-T353 HydrophobicContact CG2-CG2 3.88Å; V326-T353 WeakPolarHBondContact CG2-OG1 3.25Å; N349-T353 WeakPolarHBondContact O-CB 3.28Å; N349-T353 PolarHBondContact O-N 2.91Å; N349-T353 PolarHBondContact O-OG1 3.46Å; I350-T353 PolarHBondContact O-N 2.78Å; I350-T353 VanDerWaalsContact O-N 3.16Å; T353-K355 PolarHBondContact O-N 3.48Å; T353-M356 WeakPolarHBondContact O-CB 3.5Å; T353-M356 PolarHBondContact O-N 3.1Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.15Å
354	V	98.4	Very high	95.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-43	175.5	170.1	0	0	0	0	111.3	V238 L240 L257 I262 V291 I350 V351 M356 V357 K358	V238-V354 HydrophobicContact CB-CG1 4.42Å; V238-V354 HydrophobicContact CG1-CG1 3.88Å; V238-V354 HydrophobicContact CG1-CG2 4.28Å; V238-V354 HydrophobicContact CG2-CG2 4.31Å; L240-V354 HydrophobicContact CD2-CG2 3.78Å; L257-V354 HydrophobicContact CD1-CB 4.12Å; L257-V354 HydrophobicContact CD1-CG1 3.93Å; L257-V354 HydrophobicContact CD1-CG2 3.96Å; L257-V354 HydrophobicContact CD2-CB 4.09Å; L257-V354 HydrophobicContact CD2-CG1 3.73Å; I262-V354 HydrophobicContact CG2-CG1 4.35Å; V291-V354 HydrophobicContact CG2-CG2 4.13Å; I350-V354 HydrophobicContact CG2-CG2 4.48Å; I350-V354 WeakPolarHBondContact O-CG2 3.49Å; I350-V354 PolarHBondContact O-N 3.04Å; V351-V354 PolarHBondContact O-N 3.35Å; V354-M356 VanDerWaalsContact C-N 3.32Å; V354-M356 PolarHBondContact O-N 3.09Å; V354-V357 PolarHBondContact O-N 2.77Å; V354-K358 HydrophobicContact CG1-CD 4.21Å; V354-K358 HydrophobicContact CG1-CG 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.34Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 2.97Å
355	K	97.5	Very high	95.1	Very high	48 Å²	48	61.6 Å²	61.6	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-43.7	173.9	-80.6	-175	170	-144.1	0	112.1	V351 T352 T353 K358 N359 I360 Q361	V351-K355 WeakPolarHBondContact O-CG 3.42Å; V351-K355 PolarHBondContact O-N 3.2Å; T352-K355 WeakPolarHBondContact O-CB 3.47Å; T352-K355 PolarHBondContact O-N 3.28Å; T353-K355 PolarHBondContact O-N 3.48Å; K355-K358 PolarHBondContact O-N 2.98Å; K355-N359 PolarHBondContact O-N 2.83Å; K355-I360 WeakPolarHBondContact CB-O 3.32Å; K355-I360 PolarHBondContact O-N 3.25Å; K355-Q361 PolarHBondContact NZ-O 2.82Å; K355-Q361 PolarHBondContact NZ-OXT 2.71Å
356	M	96.9	Very high	95	Very high	116 Å²	116	64.9 Å²	64.9	57%	0.571	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-49.3	175.4	-69.3	170.7	62.8	0	0	111.7	L324 T352 T353 V354 K358 N359	L324-M356 HydrophobicContact CD1-CB 4.44Å; L324-M356 HydrophobicContact CD1-CE 4.49Å; T352-M356 HydrophobicContact CG2-SD 4.36Å; T352-M356 WeakPolarHBondContact O-CG 3.35Å; T352-M356 PolarHBondContact O-N 3.23Å; T353-M356 WeakPolarHBondContact O-CB 3.5Å; T353-M356 PolarHBondContact O-N 3.1Å; V354-M356 VanDerWaalsContact C-N 3.32Å; V354-M356 PolarHBondContact O-N 3.09Å; M356-K358 VanDerWaalsContact C-N 3.29Å; M356-K358 PolarHBondContact O-N 3.06Å; M356-N359 PolarHBondContact O-N 3.4Å; M356-N359 VanDerWaalsContact O-N 3.15Å; M356-N359 PolarHBondContact O-OD1 2.78Å
357	V	96	Very high	94.9	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-37.9	179.7	170.1	0	0	0	0	111.9	Y289 V291 A321 L324 T353 V354	Y289-V357 HydrophobicContact CD1-CG1 3.44Å; Y289-V357 VanDerWaalsContact CD1-CG1 3.44Å; Y289-V357 HydrophobicContact CE1-CG1 4.39Å; Y289-V357 HydrophobicContact CG-CG1 4.07Å; V291-V357 HydrophobicContact CG2-CG2 3.99Å; A321-V357 HydrophobicContact CB-CG1 4Å; A321-V357 WeakPolarHBondContact CB-O 3.43Å; L324-V357 HydrophobicContact CB-CG2 3.93Å; L324-V357 HydrophobicContact CD1-CG2 3.51Å; L324-V357 HydrophobicContact CG-CG2 3.56Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.15Å; V354-V357 PolarHBondContact O-N 2.77Å
358	K	94.7	Very high	94.7	Very high	41 Å²	41	66.8 Å²	66.8	18%	0.178	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.5	178.9	-63.4	-166.8	72	67.6	0	114.3	D237 I262 Y289 V354 K355 M356 I360	D237-K358 PolarHBondContact O-NZ 3.27Å; I262-K358 HydrophobicContact CD1-CD 4.47Å; I262-K358 HydrophobicContact CG2-CD 4.1Å; Y289-K358 HydrophobicContact CD1-CG 4.48Å; Y289-K358 HydrophobicContact CG-CG 4.45Å; V354-K358 HydrophobicContact CG1-CD 4.21Å; V354-K358 HydrophobicContact CG1-CG 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.34Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 2.97Å; K355-K358 PolarHBondContact O-N 2.98Å; M356-K358 VanDerWaalsContact C-N 3.29Å; M356-K358 PolarHBondContact O-N 3.06Å; K358-I360 VanDerWaalsContact C-N 3.35Å; K358-I360 HydrophobicContact CB-CD1 3.69Å; K358-I360 HydrophobicContact CB-CG1 3.94Å; K358-I360 HydrophobicContact CD-CD1 4.25Å; K358-I360 PolarHBondContact O-N 3.29Å
359	N	92.9	Very high	94.4	Very high	149 Å²	149	62.7 Å²	62.7	80%	0.797	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	45.6	-173.5	-65.3	-52.9	0	0	0	113.8	K355 M356	K355-N359 PolarHBondContact O-N 2.83Å; M356-N359 PolarHBondContact O-N 3.4Å; M356-N359 VanDerWaalsContact O-N 3.15Å; M356-N359 PolarHBondContact O-OD1 2.78Å
360	I	88	Confident	94.1	Very high	77 Å²	77	62.8 Å²	62.8	40%	0.395	32%	0.316	S	S	.	.			trans	-111.8	138.4	178.5	-57.3	169.9	0	0	0	109	I262 K355 K358	I262-I360 HydrophobicContact CD1-CD1 3.67Å; I262-I360 HydrophobicContact CG1-CD1 4.29Å; K355-I360 WeakPolarHBondContact CB-O 3.32Å; K355-I360 PolarHBondContact O-N 3.25Å; K358-I360 VanDerWaalsContact C-N 3.35Å; K358-I360 HydrophobicContact CB-CD1 3.69Å; K358-I360 HydrophobicContact CB-CG1 3.94Å; K358-I360 HydrophobicContact CD-CD1 4.25Å; K358-I360 PolarHBondContact O-N 3.29Å
361	Q	71.5	Confident	93.7	Very high	229 Å²	229	68.5 Å²	68.5	100%	1.07	35%	0.345	S	S	*	.			trans	-75.6	0	178	-68.5	-172.6	-20.3	0	0	113.1	K355	K355-Q361 PolarHBondContact NZ-O 2.82Å; K355-Q361 PolarHBondContact NZ-OXT 2.71Å

Retrieved 361 of 361 residues in 303.3 ms (Link to these results)

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