A0A087YG88_POEFO Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. This subunit is involved in antigen processing to generate class I binding peptides.

AlphaFold DB , UniProt , Accession A0A087YG88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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	33.2	Very low	32.1	Very low	250 Å²	250	165.2 Å²	165.2	100%	1.232	89%	0.886	S	S	*	*				0	106.1	0	-71.2	-171.3	-77.9	0	0	106.8
2	A	32.5	Very low	32.4	Very low	109 Å²	109	165.3 Å²	165.3	90%	0.901	87%	0.872	S	S	*	*			cis	-137	135.8	8.7	0	0	0	0	0	108
3	L	29.6	Very low	32.2	Very low	155 Å²	155	161.5 Å²	161.5	81%	0.812	86%	0.863	S	S	*	*			trans	-117.4	152.9	174.3	-126.8	160.1	0	0	0	103.5
4	E	29.1	Very low	32.8	Very low	170 Å²	170	157.7 Å²	157.7	79%	0.794	87%	0.866	S	S	*	*			trans	76.3	102.6	167.8	-53.8	175.4	179.7	0	0	115.2
5	D	32.3	Very low	33.2	Very low	168 Å²	168	159.3 Å²	159.3	90%	0.898	87%	0.865	S	S	*	*	S	Bend	trans	-171.1	-0.3	145.1	-102	-18.9	0	0	0	117.2
6	I	34.9	Very low	33.5	Very low	164 Å²	164	159.2 Å²	159.2	84%	0.841	86%	0.857	S	S	*	*	S	Bend	trans	-114.3	-9.9	-175	-62.2	-179.8	0	0	0	115.4
7	C	29.1	Very low	33.6	Very low	121 Å²	121	159.6 Å²	159.6	82%	0.818	86%	0.858	S	S	*	*			trans	-127.7	76.2	-177.5	-66.9	0	0	0	0	113.1	F9	C7-F9 VanDerWaalsContact C-N 3.27Å; C7-F9 PolarHBondContact O-N 2.99Å; C7-F9 VanDerWaalsContact O-N 3.11Å
8	C	29.9	Very low	33.7	Very low	134 Å²	134	161.3 Å²	161.3	91%	0.905	86%	0.856	S	S	*	*			trans	-78.3	77.4	158.6	-98.5	0	0	0	0	109.9
9	F	31.5	Very low	33.7	Very low	199 Å²	199	159.2 Å²	159.2	87%	0.873	85%	0.852	S	S	*	*			trans	-99.2	91.5	166.4	-132.3	-92.3	0	0	0	108.2	C7	C7-F9 VanDerWaalsContact C-N 3.27Å; C7-F9 PolarHBondContact O-N 2.99Å; C7-F9 VanDerWaalsContact O-N 3.11Å
10	K	33	Very low	33.7	Very low	182 Å²	182	157 Å²	157	79%	0.791	85%	0.85	S	S	*	*			trans	-73.4	127.7	166.2	-81	-177.9	175.3	177.9	0	108.5	K12	K10-K12 PolarHBondContact O-N 3.5Å
11	D	37.8	Very low	33.9	Very low	165 Å²	165	158.7 Å²	158.7	88%	0.882	85%	0.85	S	S	*	*			trans	-48	118	172.3	-73.1	-49.1	0	0	0	111.4
12	K	35.7	Very low	34	Very low	166 Å²	166	152.6 Å²	152.6	72%	0.722	83%	0.829	S	S	*	*			trans	-121.5	137.3	165.1	-78.4	-173.7	178	-178.6	0	108.9	K10	K10-K12 PolarHBondContact O-N 3.5Å
13	P	30.5	Very low	34.2	Very low	116 Å²	116	156.5 Å²	156.5	75%	0.753	83%	0.828	S	S	*	*			trans	-65.3	152.9	-176.8	26.1	-32.9	0	0	0	112.4	Q15	P13-Q15 VanDerWaalsContact C-N 3.25Å; P13-Q15 PolarHBondContact O-N 2.83Å
14	A	39.8	Very low	34.6	Very low	109 Å²	109	153.8 Å²	153.8	90%	0.901	83%	0.828	S	S	*	*	S	Bend	trans	-69.7	51.8	-166.7	0	0	0	0	0	116.4
15	Q	39.6	Very low	34.8	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	83%	0.826	S	S	*	*	S	Bend	trans	-127.1	10.8	177	-77.9	-176.8	-17.7	0	0	115.2	P13	P13-Q15 VanDerWaalsContact C-N 3.25Å; P13-Q15 PolarHBondContact O-N 2.83Å
16	Q	38	Very low	34.8	Very low	157 Å²	157	149.4 Å²	149.4	73%	0.734	82%	0.822	S	S	*	*			trans	-125.5	30.4	-175.5	-72.9	-169.9	-26.5	0	0	115.8
17	L	34.7	Very low	34.8	Very low	167 Å²	167	151 Å²	151	87%	0.874	82%	0.823	S	S	*	*	S	Bend	trans	-103.8	11.3	175.4	-92.5	160.5	0	0	0	115
18	F	35.3	Very low	35.3	Very low	189 Å²	189	151.9 Å²	151.9	83%	0.829	82%	0.818	S	S	*	*	S	Bend	trans	-122.4	132.5	170.6	-62.1	-76.5	0	0	0	109.3	S20	F18-S20 PolarHBondContact O-N 3.14Å
19	P	34.3	Very low	35.7	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63	127.6	170.7	25.6	-30.3	0	0	0	109.1	F21	P19-F21 PolarHBondContact O-N 2.84Å
20	S	33.5	Very low	35.7	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65.6	120.7	173.1	35.3	0	0	0	0	109.8	F18	F18-S20 PolarHBondContact O-N 3.14Å
21	F	38.5	Very low	36.1	Very low	194 Å²	194	154.3 Å²	154.3	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-60.7	133.3	168.2	-82.8	-90	0	0	0	109.5	P19 Q23	P19-F21 PolarHBondContact O-N 2.84Å; F21-Q23 PolarHBondContact O-N 3.07Å
22	P	35.5	Very low	36	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-62.9	131.7	173.8	23.8	-29.8	0	0	0	109.6	A24	P22-A24 PolarHBondContact O-N 2.98Å
23	Q	36.6	Very low	36.5	Very low	191 Å²	191	149.8 Å²	149.8	89%	0.893	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-58.1	128.4	175.3	-70.3	-177.3	-21.1	0	0	109.9	F21 T25	F21-Q23 PolarHBondContact O-N 3.07Å; Q23-T25 PolarHBondContact O-N 3.2Å
24	A	36.5	Very low	36.9	Very low	98 Å²	98	155.5 Å²	155.5	81%	0.81	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.7	177.8	0	0	0	0	0	110.5	P22	P22-A24 PolarHBondContact O-N 2.98Å
25	T	34.3	Very low	36.7	Very low	120 Å²	120	160.8 Å²	160.8	74%	0.736	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.6	147.8	162.2	46.8	0	0	0	0	109.4	Q23 F27	Q23-T25 PolarHBondContact O-N 3.2Å; T25-F27 PolarHBondContact O-N 2.82Å
26	P	31.3	Very low	36.8	Very low	127 Å²	127	154.6 Å²	154.6	83%	0.825	81%	0.805	S	S	*	*			trans	-75.1	96.2	180	30.5	-30.1	0	0	0	108.3	I28	P26-I28 PolarHBondContact O-N 3.11Å
27	F	35.4	Very low	37.1	Very low	198 Å²	198	152 Å²	152	87%	0.868	80%	0.802	S	S	*	*			trans	-67.9	122.9	170.9	-168.4	-100.7	0	0	0	108.8	T25 S29	T25-F27 PolarHBondContact O-N 2.82Å; F27-S29 PolarHBondContact O-N 2.82Å
28	I	38.8	Very low	37.5	Very low	139 Å²	139	150.2 Å²	150.2	71%	0.713	80%	0.8	S	S	*	*			trans	-49.7	118.2	-178.1	-71.2	166.5	0	0	0	110.5	P26 R30	P26-I28 PolarHBondContact O-N 3.11Å; I28-R30 PolarHBondContact O-N 3.23Å
29	S	39.3	Very low	38.1	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	80%	0.795	S	S	*	*			trans	-61.3	95.1	166.4	147	0	0	0	0	109.7	F27	F27-S29 PolarHBondContact O-N 2.82Å
30	R	30.8	Very low	38.7	Very low	226 Å²	226	149.7 Å²	149.7	85%	0.853	79%	0.794	S	S	*	*			trans	-93	94.6	148.7	-93.6	-174.9	176	-176.6	-0.2	107.9	I28 T32	I28-R30 PolarHBondContact O-N 3.23Å; R30-T32 PolarHBondContact O-N 2.96Å
31	R	42.4	Very low	39.4	Very low	237 Å²	237	150.2 Å²	150.2	89%	0.894	79%	0.792	S	S	*	*			trans	-60.1	101.5	159.6	-88.5	-177.9	176.3	-179.4	-0.7	108
32	T	35.1	Very low	39.5	Very low	126 Å²	126	148.3 Å²	148.3	77%	0.773	79%	0.79	S	S	*	*			trans	-103.9	99.6	152	45.9	0	0	0	0	107	R30 R34	R30-T32 PolarHBondContact O-N 2.96Å; T32-R34 PolarHBondContact O-N 2.66Å
33	S	47.3	Very low	40.2	Very low	111 Å²	111	146.6 Å²	146.6	78%	0.776	78%	0.777	S	S	*	*			trans	-62.2	100.1	171.8	50.6	0	0	0	0	110.4
34	R	37.2	Very low	40.8	Very low	236 Å²	236	143 Å²	143	89%	0.891	77%	0.768	S	S	*	*			trans	-149.4	68.8	156.3	-67.1	-165.3	-172.1	-169	2.3	110.1	T32 G36	T32-R34 PolarHBondContact O-N 2.66Å; R34-G36 PolarHBondContact O-N 2.83Å
35	F	35.8	Very low	41.1	Very low	220 Å²	220	147.1 Å²	147.1	97%	0.965	77%	0.77	S	S	*	*			trans	-80.7	98.8	163.5	-85.8	-82.3	0	0	0	108.8
36	G	41.7	Very low	41.6	Very low	51 Å²	51	146.3 Å²	146.3	53%	0.526	75%	0.754	S	S	.	*			trans	-96.9	157.5	145.1	0	0	0	0	0	108.4	R34	R34-G36 PolarHBondContact O-N 2.83Å
37	P	44.9	Very low	42.2	Very low	103 Å²	103	146.3 Å²	146.3	67%	0.669	75%	0.754	S	S	*	*			trans	-63.2	137.8	176.6	28.3	-32.4	0	0	0	109.2	N39	P37-N39 VanDerWaalsContact C-N 3.34Å; P37-N39 PolarHBondContact O-N 2.95Å
38	P	43.3	Very low	42.5	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	74%	0.739	S	S	*	*			trans	-69.5	98.1	168.7	27.6	-28.8	0	0	0	107.9
39	N	48.4	Very low	43.2	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	74%	0.74	S	S	*	*			trans	-64.4	137.6	163.5	-75.9	-20.9	0	0	0	108.6	P37	P37-N39 VanDerWaalsContact C-N 3.34Å; P37-N39 PolarHBondContact O-N 2.95Å
40	H	46.8	Very low	43.8	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.755	72%	0.722	S	S	*	*			trans	70.1	87.9	178.4	-71.6	-82.6	0	0	0	116.1	L42	H40-L42 PolarHBondContact O-N 2.81Å
41	V	47.3	Very low	45.3	Very low	127 Å²	127	130.1 Å²	130.1	77%	0.77	69%	0.692	S	S	*	*			trans	-54.3	116.4	135.5	-179.1	0	0	0	0	105.3	T43	V41-T43 PolarHBondContact O-N 3.15Å; V41-T43 PolarHBondContact O-OG1 3.25Å
42	L	41.6	Very low	46.8	Very low	153 Å²	153	121.7 Å²	121.7	80%	0.801	66%	0.662	S	S	*	*			trans	-66.3	85.4	171.7	-71.4	168.2	0	0	0	107.2	H40 V44	H40-L42 PolarHBondContact O-N 2.81Å; L42-V44 PolarHBondContact O-N 2.81Å
43	T	50.1	Low	49	Very low	85 Å²	85	116.3 Å²	116.3	52%	0.521	63%	0.631	S	S	.	*			trans	-60.2	108.8	162.5	-7.3	0	0	0	0	105.2	V41 Q45	V41-T43 PolarHBondContact O-N 3.15Å; V41-T43 PolarHBondContact O-OG1 3.25Å; T43-Q45 VanDerWaalsContact C-N 3.35Å; T43-Q45 PolarHBondContact O-N 3.1Å
44	V	49.3	Very low	51.1	Low	117 Å²	117	111.3 Å²	111.3	71%	0.709	60%	0.596	S	S	*	*			trans	-58.1	106.7	170.8	173.8	0	0	0	0	105.3	L42 R46	L42-V44 PolarHBondContact O-N 2.81Å; V44-R46 PolarHBondContact O-N 2.99Å
45	Q	41.2	Very low	53.9	Low	183 Å²	183	100.1 Å²	100.1	86%	0.855	55%	0.554	S	S	*	*			trans	-61.8	110.2	175.5	-75.7	-159.4	-24.9	0	0	106.9	T43	T43-Q45 VanDerWaalsContact C-N 3.35Å; T43-Q45 PolarHBondContact O-N 3.1Å
46	R	46	Very low	56.8	Low	103 Å²	103	89.7 Å²	89.7	39%	0.389	51%	0.508	S	S	.	.			trans	-59.6	139	174.6	-65	-175.7	-173.3	-175.1	4.3	107.1	V44 F48 D147	V44-R46 PolarHBondContact O-N 2.99Å; R46-F48 WeakPolarHBondContact CB-O 3.18Å; R46-F48 PolarHBondContact O-N 3.27Å; R46-D147 PolarHBondContact NH2-O 3.36Å
47	P	43.2	Very low	59.4	Low	127 Å²	127	87.2 Å²	87.2	83%	0.825	48%	0.483	S	S	*	.	S	Bend	trans	-60.5	-10.8	-177.1	21	-30.6	0	0	0	113.5
48	F	41.6	Very low	62	Low	126 Å²	126	82.3 Å²	82.3	55%	0.553	45%	0.452	S	S	*	.	S	Bend	trans	-142.6	144.8	171	50.4	-84.7	0	0	0	109.8	R46 L50	R46-F48 WeakPolarHBondContact CB-O 3.18Å; R46-F48 PolarHBondContact O-N 3.27Å; F48-L50 HydrophobicContact CD2-CD2 4.15Å; F48-L50 HydrophobicContact CD2-CG 4.46Å; F48-L50 HydrophobicContact CE2-CD2 3.55Å; F48-L50 HydrophobicContact CE2-CG 4.15Å; F48-L50 PolarHBondContact O-N 3.26Å
49	S	54	Low	64.6	Low	106 Å²	106	76.2 Å²	76.2	74%	0.741	41%	0.412	S	S	*	.			trans	-66.5	125	166	56.4	0	0	0	0	108	S51	S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.46Å
50	L	51	Low	66.9	Low	62 Å²	62	70.3 Å²	70.3	33%	0.325	38%	0.38	S	S	.	.			trans	-71.2	91.7	173.5	-82.3	173.4	0	0	0	108.7	F48 H52	F48-L50 HydrophobicContact CD2-CD2 4.15Å; F48-L50 HydrophobicContact CD2-CG 4.46Å; F48-L50 HydrophobicContact CE2-CD2 3.55Å; F48-L50 HydrophobicContact CE2-CG 4.15Å; F48-L50 PolarHBondContact O-N 3.26Å; L50-H52 PolarHBondContact O-N 3.36Å; L50-H52 VanDerWaalsContact O-N 3.14Å
51	S	63.8	Low	69.3	Low	32 Å²	32	62.6 Å²	62.6	22%	0.224	34%	0.344	C	S	.	.			trans	-82.1	80.7	161.7	-158.3	0	0	0	0	108.2	S49 Y222	S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.46Å; S51-Y222 WeakPolarHBondContact OG-CE1 3.45Å; S51-Y222 PolarHBondContact OG-OH 3.33Å
52	H	74.1	Confident	71.6	Confident	60 Å²	60	62.4 Å²	62.4	28%	0.278	34%	0.335	S	S	.	.			trans	-101.8	140	168.2	47	47.9	0	0	0	108.9	L50 C149	L50-H52 PolarHBondContact O-N 3.36Å; L50-H52 VanDerWaalsContact O-N 3.14Å; H52-C149 PolarHBondContact CE1-SG 3.33Å
53	G	80.9	Confident	74	Confident	12 Å²	12	56.8 Å²	56.8	12%	0.124	31%	0.314	C	S	.	.			trans	-150.1	159.6	176.1	0	0	0	0	0	110	S183 Y222	G53-S183 VanDerWaalsContact CA-OG 3.24Å; G53-S183 WeakPolarHBondContact CA-OG 3.29Å; G53-Y222 VanDerWaalsContact CA-CB 3.46Å
54	T	90.6	Very high	76.2	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.043	29%	0.289	C	S	.	.			trans	-167.4	162.2	-173.8	-172.6	0	0	0	0	107.4	D70 K86 S99 G182 S183	T54-D70 PolarHBondContact OG1-OD1 3.41Å; T54-K86 WeakPolarHBondContact OG1-CD 3.34Å; T54-K86 WeakPolarHBondContact OG1-CE 3.43Å; T54-K86 PolarHBondContact OG1-NZ 2.85Å; T54-S99 VanDerWaalsContact CG2-OG 3.22Å; T54-S99 WeakPolarHBondContact CG2-OG 3.39Å; T54-G182 CarbonylContact O-C 3.6Å; T54-G182 WeakPolarHBondContact O-CA 3.32Å; T54-S183 PolarHBondContact N-OG 3.3Å; T54-S183 PolarHBondContact O-N 3.25Å; T54-S183 PolarHBondContact O-OG 2.85Å
55	T	95.4	Very high	78.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.6	163.7	-61.6	0	0	0	0	108.7	A69 D70 G184 A188 A216 T223	T55-A69 VanDerWaalsContact O-CA 3.32Å; T55-A69 WeakPolarHBondContact O-CA 3.11Å; T55-D70 PolarHBondContact N-OD1 3.01Å; T55-D70 PolarHBondContact O-N 3.4Å; T55-D70 VanDerWaalsContact O-N 3.07Å; T55-D70 VanDerWaalsContact O-OD1 3.07Å; T55-G184 WeakPolarHBondContact OG1-CA 3.48Å; T55-G184 PolarHBondContact OG1-N 3.09Å; T55-A188 HydrophobicContact CG2-CB 4.07Å; T55-A216 HydrophobicContact CG2-CB 4Å; T55-T223 PolarHBondContact N-OG1 2.87Å; T55-T223 WeakPolarHBondContact OG1-CG2 3.43Å; T55-T223 PolarHBondContact OG1-OG1 2.94Å
56	T	96.9	Very high	81.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145	169.9	70.3	0	0	0	0	108.6	A68 A69 T97 S98 S180 V181	T56-A68 CarbonylContact C-O 3.6Å; T56-A68 WeakPolarHBondContact CA-O 3.49Å; T56-A69 HydrophobicContact CG2-CB 3.81Å; T56-T97 PolarHBondContact OG1-OG1 2.87Å; T56-S98 WeakPolarHBondContact CG2-O 3.46Å; T56-S180 CarbonylContact O-C 3.24Å; T56-S180 VanDerWaalsContact O-CA 3.31Å; T56-S180 WeakPolarHBondContact O-CA 3.3Å; T56-S180 PolarHBondContact O-OG 2.92Å; T56-V181 PolarHBondContact N-O 2.87Å; T56-V181 PolarHBondContact O-N 3.38Å; T56-V181 PolarHBondContact OG1-O 3.29Å
57	L	97.6	Very high	83.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.8	176.8	63.8	87.4	0	0	0	110.7	F59 A67 A68 I179 A188 L192 A209 A212 V213	L57-F59 HydrophobicContact CD1-CD1 3.87Å; L57-F59 HydrophobicContact CD1-CE1 3.92Å; L57-A67 CarbonylContact O-C 3.46Å; L57-A67 WeakPolarHBondContact O-CA 3.39Å; L57-A68 HydrophobicContact CD1-CB 3.72Å; L57-A68 HydrophobicContact CD2-CB 4.49Å; L57-A68 HydrophobicContact CG-CB 3.9Å; L57-A68 PolarHBondContact N-O 2.81Å; L57-A68 PolarHBondContact O-N 3.04Å; L57-I179 CarbonylContact C-O 3.49Å; L57-I179 VanDerWaalsContact CA-O 3.29Å; L57-I179 WeakPolarHBondContact CA-O 3.31Å; L57-A188 HydrophobicContact CD2-CB 4.27Å; L57-L192 HydrophobicContact CB-CD1 4.38Å; L57-L192 HydrophobicContact CD2-CD1 4.34Å; L57-A209 HydrophobicContact CD1-CB 4.21Å; L57-A212 HydrophobicContact CD2-CB 3.73Å; L57-V213 HydrophobicContact CD2-CG2 3.72Å; L57-V213 HydrophobicContact CG-CG2 4.42Å
58	G	97.9	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	135.9	170	0	0	0	0	0	110.5	I66 I179	G58-I66 CarbonylContact C-O 3.54Å; G58-I66 WeakPolarHBondContact CA-O 3.4Å; G58-I179 PolarHBondContact N-O 3.43Å; G58-I179 PolarHBondContact O-N 3.46Å
59	F	98.1	Very high	89	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158	177.3	63.7	-99.3	0	0	0	112.5	L57 F61 V65 I66 D177 I178 L192 L196 A205 A209	L57-F59 HydrophobicContact CD1-CD1 3.87Å; L57-F59 HydrophobicContact CD1-CE1 3.92Å; F59-F61 HydrophobicContact CE2-CD1 4.45Å; F59-V65 WeakPolarHBondContact O-CA 3.27Å; F59-V65 WeakPolarHBondContact O-CG1 3.46Å; F59-I66 HydrophobicContact CE1-CB 4.08Å; F59-I66 HydrophobicContact CE1-CG2 4.26Å; F59-I66 HydrophobicContact CE2-CB 4.08Å; F59-I66 HydrophobicContact CE2-CG1 4Å; F59-I66 HydrophobicContact CZ-CB 3.83Å; F59-I66 HydrophobicContact CZ-CG1 3.95Å; F59-I66 HydrophobicContact CZ-CG2 4.26Å; F59-I66 PolarHBondContact N-O 3.4Å; F59-I66 PolarHBondContact O-N 2.93Å; F59-D177 CarbonylContact C-O 3.55Å; F59-D177 WeakPolarHBondContact CA-O 3.36Å; F59-I178 HydrophobicContact CB-CB 4.38Å; F59-I178 HydrophobicContact CB-CG1 4.21Å; F59-I178 HydrophobicContact CB-CG2 4.2Å; F59-L192 HydrophobicContact CD1-CD2 3.77Å; F59-L192 HydrophobicContact CE1-CD2 3.78Å; F59-L196 HydrophobicContact CB-CD1 4.42Å; F59-L196 HydrophobicContact CB-CD2 4.12Å; F59-L196 HydrophobicContact CD2-CD1 3.24Å; F59-L196 HydrophobicContact CD2-CD2 4.36Å; F59-L196 HydrophobicContact CD2-CG 4.47Å; F59-L196 HydrophobicContact CE2-CD1 3.46Å; F59-L196 VanDerWaalsContact CE2-CD1 3.46Å; F59-L196 HydrophobicContact CG-CD1 3.84Å; F59-L196 HydrophobicContact CG-CD2 4.39Å; F59-L196 HydrophobicContact CZ-CD1 4.21Å; F59-A205 HydrophobicContact CE2-CB 4.09Å; F59-A205 HydrophobicContact CZ-CB 4.34Å; F59-A205 WeakPolarHBondContact CZ-O 3.45Å; F59-A209 HydrophobicContact CE1-CB 3.76Å; F59-A209 HydrophobicContact CZ-CB 4.05Å
60	I	97.8	Very high	91	Very high	12 Å²	12	16.5 Å²	16.5	6%	0.062	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.2	-179.1	-52.2	-178.5	0	0	0	109.7	V65 P162 V164 D177 W198	I60-V65 HydrophobicContact CG1-CG2 4.3Å; I60-P162 HydrophobicContact CD1-CB 4.37Å; I60-P162 HydrophobicContact CG1-CB 4.42Å; I60-P162 HydrophobicContact CG2-CB 3.66Å; I60-P162 HydrophobicContact CG2-CG 3.34Å; I60-V164 HydrophobicContact CD1-CG2 4.28Å; I60-V164 HydrophobicContact CG1-CB 4.48Å; I60-V164 HydrophobicContact CG1-CG2 3.71Å; I60-D177 PolarHBondContact N-O 3.2Å; I60-W198 HydrophobicContact CG2-CH2 4.33Å; I60-W198 HydrophobicContact CG2-CZ3 3.68Å
61	F	96.9	Very high	93.1	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	174.2	169.9	74.3	-69.9	0	0	0	109.8	F59 G63 G64 I66 L200 K202 A205 H231	F59-F61 HydrophobicContact CE2-CD1 4.45Å; F61-G63 VanDerWaalsContact CD2-N 3.27Å; F61-G63 VanDerWaalsContact CZ-C 3.49Å; F61-G63 PolarHBondContact O-N 3.37Å; F61-G63 VanDerWaalsContact O-N 3.1Å; F61-G64 VanDerWaalsContact CD1-O 3.25Å; F61-G64 WeakPolarHBondContact CD1-O 3.44Å; F61-G64 PolarHBondContact N-O 3.32Å; F61-G64 PolarHBondContact O-N 3.15Å; F61-I66 HydrophobicContact CD1-CG1 4.17Å; F61-I66 HydrophobicContact CE1-CD1 3.93Å; F61-I66 HydrophobicContact CE1-CG1 3.74Å; F61-I66 HydrophobicContact CZ-CD1 4.4Å; F61-L200 HydrophobicContact CD2-CB 4.5Å; F61-L200 WeakPolarHBondContact CD2-O 3.37Å; F61-K202 HydrophobicContact CE2-CB 4.41Å; F61-A205 HydrophobicContact CD1-CB 4.16Å; F61-A205 HydrophobicContact CD2-CB 3.92Å; F61-A205 HydrophobicContact CE1-CB 4.2Å; F61-A205 HydrophobicContact CE2-CB 3.95Å; F61-A205 HydrophobicContact CG-CB 4.04Å; F61-A205 HydrophobicContact CZ-CB 4.1Å; F61-H231 AromaticContact CZ-CD2 3.98Å; F61-H231 AromaticContact CZ-NE2 3.89Å
62	Q	94.6	Very high	94.6	Very high	123 Å²	123	14.6 Å²	14.6	58%	0.575	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.5	-177.9	178.3	-179.9	5.2	0	0	113.4	W198	Q62-W198 HydrophobicContact CB-CZ2 4.38Å; Q62-W198 WeakPolarHBondContact CB-O 3.13Å; Q62-W198 PolarHBondContact N-O 2.98Å
63	G	93.2	Very high	95.5	Very high	35 Å²	35	13.1 Å²	13.1	36%	0.361	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.9	-177.8	0	0	0	0	0	115.5	F61 H231	F61-G63 VanDerWaalsContact CD2-N 3.27Å; F61-G63 VanDerWaalsContact CZ-C 3.49Å; F61-G63 PolarHBondContact O-N 3.37Å; F61-G63 VanDerWaalsContact O-N 3.1Å; G63-H231 PolarHBondContact O-NE2 2.72Å
64	G	96	Very high	95.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.6	-147.7	-179.9	0	0	0	0	0	115.2	F61 I232	F61-G64 VanDerWaalsContact CD1-O 3.25Å; F61-G64 WeakPolarHBondContact CD1-O 3.44Å; F61-G64 PolarHBondContact N-O 3.32Å; F61-G64 PolarHBondContact O-N 3.15Å; G64-I232 CarbonylContact C-O 3.57Å; G64-I232 VanDerWaalsContact CA-O 3.25Å; G64-I232 WeakPolarHBondContact CA-O 3.24Å
65	V	97.9	Very high	95.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.9	173.2	-175.5	0	0	0	0	108.3	F59 I60 C155 P162 V164 I232	F59-V65 WeakPolarHBondContact O-CA 3.27Å; F59-V65 WeakPolarHBondContact O-CG1 3.46Å; I60-V65 HydrophobicContact CG1-CG2 4.3Å; V65-C155 HydrophobicContact CG1-CB 3.8Å; V65-P162 HydrophobicContact CG2-CB 3.38Å; V65-V164 HydrophobicContact CG1-CG2 3.54Å; V65-V164 HydrophobicContact CG2-CG2 4.46Å; V65-I232 HydrophobicContact CB-CB 4.37Å; V65-I232 HydrophobicContact CB-CD1 4.3Å; V65-I232 HydrophobicContact CG1-CD1 4.43Å; V65-I232 PolarHBondContact N-O 3.35Å; V65-I232 WeakPolarHBondContact O-CD1 3.34Å; V65-I232 PolarHBondContact O-N 3.32Å
66	I	98.1	Very high	94.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.5	164.4	-61	-60.2	0	0	0	108	G58 F59 F61 A205 I206 A209 L229 F230 H231	G58-I66 CarbonylContact C-O 3.54Å; G58-I66 WeakPolarHBondContact CA-O 3.4Å; F59-I66 HydrophobicContact CE1-CB 4.08Å; F59-I66 HydrophobicContact CE1-CG2 4.26Å; F59-I66 HydrophobicContact CE2-CB 4.08Å; F59-I66 HydrophobicContact CE2-CG1 4Å; F59-I66 HydrophobicContact CZ-CB 3.83Å; F59-I66 HydrophobicContact CZ-CG1 3.95Å; F59-I66 HydrophobicContact CZ-CG2 4.26Å; F59-I66 PolarHBondContact N-O 3.4Å; F59-I66 PolarHBondContact O-N 2.93Å; F61-I66 HydrophobicContact CD1-CG1 4.17Å; F61-I66 HydrophobicContact CE1-CD1 3.93Å; F61-I66 HydrophobicContact CE1-CG1 3.74Å; F61-I66 HydrophobicContact CZ-CD1 4.4Å; I66-A205 HydrophobicContact CG1-CB 4.14Å; I66-I206 HydrophobicContact CD1-CG1 4.04Å; I66-A209 HydrophobicContact CG2-CB 3.58Å; I66-L229 HydrophobicContact CG2-CD2 3.81Å; I66-F230 WeakPolarHBondContact CA-O 3.38Å; I66-H231 HydrophobicContact CD1-CB 3.86Å
67	A	98.2	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.5	165.4	0	0	0	0	0	108.5	L57 V95 T97 C155 F230 I232	L57-A67 CarbonylContact O-C 3.46Å; L57-A67 WeakPolarHBondContact O-CA 3.39Å; A67-V95 HydrophobicContact CB-CG2 3.87Å; A67-T97 HydrophobicContact CB-CG2 3.97Å; A67-C155 HydrophobicContact CB-CB 4.04Å; A67-F230 HydrophobicContact CB-CB 4.42Å; A67-F230 PolarHBondContact N-O 3.26Å; A67-F230 PolarHBondContact O-N 3.35Å; A67-I232 HydrophobicContact CB-CD1 4.23Å
68	A	98.1	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.1	-179.8	0	0	0	0	0	111.6	T56 L57 A209 V213 V227 D228 L229	T56-A68 CarbonylContact C-O 3.6Å; T56-A68 WeakPolarHBondContact CA-O 3.49Å; L57-A68 HydrophobicContact CD1-CB 3.72Å; L57-A68 HydrophobicContact CD2-CB 4.49Å; L57-A68 HydrophobicContact CG-CB 3.9Å; L57-A68 PolarHBondContact N-O 2.81Å; L57-A68 PolarHBondContact O-N 3.04Å; A68-A209 HydrophobicContact CB-CB 4.27Å; A68-V213 HydrophobicContact CB-CG2 4.03Å; A68-V227 HydrophobicContact CB-CG2 4.41Å; A68-D228 VanDerWaalsContact CA-O 3.22Å; A68-D228 WeakPolarHBondContact CA-O 3.5Å; A68-L229 HydrophobicContact CB-CD2 3.44Å; A68-L229 VanDerWaalsContact CB-CD2 3.44Å; A68-L229 HydrophobicContact CB-CG 4.08Å
69	A	97.7	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.4	177.1	0	0	0	0	0	111.1	T55 T56 K86 I87 V227 D228	T55-A69 VanDerWaalsContact O-CA 3.32Å; T55-A69 WeakPolarHBondContact O-CA 3.11Å; T56-A69 HydrophobicContact CG2-CB 3.81Å; A69-K86 HydrophobicContact CB-CB 4.03Å; A69-I87 HydrophobicContact CB-CD1 3.89Å; A69-I87 HydrophobicContact CB-CG1 3.69Å; A69-V227 WeakPolarHBondContact O-CA 3.35Å; A69-D228 PolarHBondContact N-O 2.58Å; A69-D228 PolarHBondContact O-N 3.01Å
70	D	96.3	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	162.5	168.4	81.1	-60.3	0	0	0	111.4	T54 T55 R72 K86 V213 T223 G224 N226	T54-D70 PolarHBondContact OG1-OD1 3.41Å; T55-D70 PolarHBondContact N-OD1 3.01Å; T55-D70 PolarHBondContact O-N 3.4Å; T55-D70 VanDerWaalsContact O-N 3.07Å; T55-D70 VanDerWaalsContact O-OD1 3.07Å; D70-R72 PolarHBondContact OD2-N 3.45Å; D70-K86 WeakPolarHBondContact O-CD 3.25Å; D70-K86 WeakPolarHBondContact O-CE 3.12Å; D70-K86 PolarHBondContact O-NZ 2.92Å; D70-K86 IonicContact OD1-NZ 3.13Å; D70-K86 PolarHBondContact OD1-NZ 2.69Å; D70-K86 IonicContact OD2-NZ 3.89Å; D70-K86 PolarHBondContact OD2-NZ 3.28Å; D70-V213 HydrophobicContact CB-CG1 3.96Å; D70-T223 HydrophobicContact CB-CG2 3.62Å; D70-T223 WeakPolarHBondContact OD2-CA 3.36Å; D70-G224 PolarHBondContact OD2-N 2.9Å; D70-N226 WeakPolarHBondContact CA-O 3.4Å
71	T	95.8	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	25%	0.246	C	C	.	.			trans	-104.6	-1.7	-175.7	65.9	0	0	0	0	114.8	P82 A83 V84 G224 N226	T71-P82 CarbonylContact C-O 3.6Å; T71-P82 WeakPolarHBondContact CB-O 3.48Å; T71-P82 CarbonylContact O-C 3.59Å; T71-P82 VanDerWaalsContact O-C 3.24Å; T71-P82 PolarHBondContact OG1-O 3.31Å; T71-A83 PolarHBondContact O-N 3.29Å; T71-V84 WeakPolarHBondContact CA-O 3.1Å; T71-V84 WeakPolarHBondContact CB-O 3.25Å; T71-V84 PolarHBondContact O-N 3.19Å; T71-G224 PolarHBondContact N-O 3.22Å; T71-N226 HydrophobicContact CG2-CB 3.88Å; T71-N226 PolarHBondContact N-O 3.47Å; T71-N226 VanDerWaalsContact N-O 3.12Å; T71-N226 WeakPolarHBondContact OG1-CB 3Å; T71-N226 PolarHBondContact OG1-N 2.9Å; T71-N226 VanDerWaalsContact OG1-N 3.09Å; T71-N226 PolarHBondContact OG1-ND2 3.29Å
72	R	94	Very high	92.4	Very high	54 Å²	54	38.6 Å²	38.6	20%	0.204	27%	0.265	C	S	.	.			trans	-76.2	131.7	-178.7	-179.2	176.2	-69	178.1	6	112	D70 V79 C81 K86 A221 Y222 T223 G224 N225	D70-R72 PolarHBondContact OD2-N 3.45Å; R72-V79 HydrophobicContact CG-CG1 4.16Å; R72-V79 HydrophobicContact CG-CG2 4.32Å; R72-C81 CarbonylContact C-O 3.54Å; R72-K86 WeakPolarHBondContact O-CE 3.37Å; R72-K86 PolarHBondContact O-NZ 2.87Å; R72-A221 PolarHBondContact NH1-O 3.12Å; R72-Y222 WeakPolarHBondContact CD-O 3.37Å; R72-T223 PolarHBondContact NH1-O 3.4Å; R72-G224 PolarHBondContact N-O 3.14Å; R72-N225 PolarHBondContact NE-OD1 2.98Å; R72-N225 PolarHBondContact NH2-OD1 3Å
73	A	92.6	Very high	92.4	Very high	29 Å²	29	34.7 Å²	34.7	24%	0.24	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.3	163.1	0	0	0	0	0	109.6	A80 C81 V84	A73-A80 PolarHBondContact O-N 2.86Å; A73-C81 HydrophobicContact CB-CB 4.38Å; A73-C81 PolarHBondContact N-O 3.31Å; A73-C81 PolarHBondContact O-N 3.41Å; A73-C81 VanDerWaalsContact O-N 3.14Å; A73-V84 HydrophobicContact CB-CB 4.34Å; A73-V84 HydrophobicContact CB-CG2 3.52Å
74	S	88.8	Confident	92.5	Very high	16 Å²	16	35.1 Å²	35.1	11%	0.112	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.9	-174.7	-59.8	0	0	0	0	111.4	L78	S74-L78 CarbonylContact C-O 3.49Å; S74-L78 WeakPolarHBondContact CA-O 3.36Å
75	A	86.4	Confident	92.4	Very high	50 Å²	50	41 Å²	41	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	109.9	175.4	0	0	0	0	0	109.4	G77 L78 A80	A75-G77 VanDerWaalsContact C-N 3.3Å; A75-G77 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact N-O 2.98Å; A75-L78 WeakPolarHBondContact O-CB 3.31Å; A75-L78 PolarHBondContact O-N 3.1Å; A75-L78 VanDerWaalsContact O-N 3.07Å; A75-A80 HydrophobicContact CB-CB 4.14Å
76	G	78.5	Confident	92.3	Very high	58 Å²	58	41.6 Å²	41.6	60%	0.598	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	37.1	175	0	0	0	0	0	113.9	L78	G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 2.94Å
77	G	80.4	Confident	92.2	Very high	59 Å²	59	41.9 Å²	41.9	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-5.2	-178.2	0	0	0	0	0	115	A75	A75-G77 VanDerWaalsContact C-N 3.3Å; A75-G77 PolarHBondContact O-N 3.04Å
78	L	86.8	Confident	92.2	Very high	130 Å²	130	43.4 Å²	43.4	68%	0.681	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.6	172.9	-59.7	174.7	0	0	0	110.7	S74 A75 G76 A80	S74-L78 CarbonylContact C-O 3.49Å; S74-L78 WeakPolarHBondContact CA-O 3.36Å; A75-L78 PolarHBondContact N-O 2.98Å; A75-L78 WeakPolarHBondContact O-CB 3.31Å; A75-L78 PolarHBondContact O-N 3.1Å; A75-L78 VanDerWaalsContact O-N 3.07Å; G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 2.94Å; L78-A80 PolarHBondContact O-N 3.29Å
79	V	91.1	Very high	92.1	Very high	75 Å²	75	45.9 Å²	45.9	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	104.6	168.5	179.1	0	0	0	0	108.2	R72 P82	R72-V79 HydrophobicContact CG-CG1 4.16Å; R72-V79 HydrophobicContact CG-CG2 4.32Å; V79-P82 HydrophobicContact CG1-CB 4.42Å
80	A	91.5	Very high	92	Very high	70 Å²	70	47 Å²	47	58%	0.579	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-38.7	178.9	0	0	0	0	0	111.7	A73 A75 L78	A73-A80 PolarHBondContact O-N 2.86Å; A75-A80 HydrophobicContact CB-CB 4.14Å; L78-A80 PolarHBondContact O-N 3.29Å
81	C	92.9	Very high	91.9	Very high	48 Å²	48	48.4 Å²	48.4	32%	0.324	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	128.5	174.9	-179.9	0	0	0	0	110.4	R72 A73 V84	R72-C81 CarbonylContact C-O 3.54Å; A73-C81 HydrophobicContact CB-CB 4.38Å; A73-C81 PolarHBondContact N-O 3.31Å; A73-C81 PolarHBondContact O-N 3.41Å; A73-C81 VanDerWaalsContact O-N 3.14Å; C81-V84 HydrophobicContact CB-CG2 3.59Å; C81-V84 VanDerWaalsContact SG-CG2 3.57Å
82	P	92.6	Very high	91.7	Very high	62 Å²	62	50.5 Å²	50.5	40%	0.403	33%	0.332	S	S	.	.	S	Bend	trans	-82.7	-11.5	-179	32	-35.4	0	0	0	114.2	T71 V79 N225	T71-P82 CarbonylContact C-O 3.6Å; T71-P82 WeakPolarHBondContact CB-O 3.48Å; T71-P82 CarbonylContact O-C 3.59Å; T71-P82 VanDerWaalsContact O-C 3.24Å; T71-P82 PolarHBondContact OG1-O 3.31Å; V79-P82 HydrophobicContact CG1-CB 4.42Å; P82-N225 HydrophobicContact CB-CB 4.42Å; P82-N225 WeakPolarHBondContact CB-ND2 3.25Å; P82-N225 VanDerWaalsContact O-CB 3.25Å; P82-N225 WeakPolarHBondContact O-CB 3.48Å
83	A	93.8	Very high	91.8	Very high	41 Å²	41	49.3 Å²	49.3	34%	0.339	33%	0.329	S	S	.	.	S	Bend	trans	-131.7	33.7	-164.2	0	0	0	0	0	113.9	T71 R242	T71-A83 PolarHBondContact O-N 3.29Å; A83-R242 PolarHBondContact O-NH1 3.3Å
84	V	94.8	Very high	92	Very high	45 Å²	45	48 Å²	48	27%	0.273	32%	0.318	S	S	.	.			trans	-69.2	138.1	178	178.3	0	0	0	0	110.9	T71 A73 C81 K86	T71-V84 WeakPolarHBondContact CA-O 3.1Å; T71-V84 WeakPolarHBondContact CB-O 3.25Å; T71-V84 PolarHBondContact O-N 3.19Å; A73-V84 HydrophobicContact CB-CB 4.34Å; A73-V84 HydrophobicContact CB-CG2 3.52Å; C81-V84 HydrophobicContact CB-CG2 3.59Å; C81-V84 VanDerWaalsContact SG-CG2 3.57Å; V84-K86 HydrophobicContact CG1-CG 4.01Å
85	H	93.6	Very high	92.4	Very high	124 Å²	124	47.2 Å²	47.2	57%	0.574	31%	0.313	S	S	*	.			trans	-86.5	122.8	169.8	-61.8	84.5	0	0	0	108.9	R242	H85-R242 PolarHBondContact CD2-NH2 2.87Å; H85-R242 PolarHBondContact NE2-NH2 3.01Å
86	K	95.7	Very high	93	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.048	29%	0.293	C	S	.	.			trans	-118.9	4.3	-179	-53.3	-177	-163.9	164.3	0	113	T54 A69 D70 R72 V84 T97 S98	T54-K86 WeakPolarHBondContact OG1-CD 3.34Å; T54-K86 WeakPolarHBondContact OG1-CE 3.43Å; T54-K86 PolarHBondContact OG1-NZ 2.85Å; A69-K86 HydrophobicContact CB-CB 4.03Å; D70-K86 WeakPolarHBondContact O-CD 3.25Å; D70-K86 WeakPolarHBondContact O-CE 3.12Å; D70-K86 PolarHBondContact O-NZ 2.92Å; D70-K86 IonicContact OD1-NZ 3.13Å; D70-K86 PolarHBondContact OD1-NZ 2.69Å; D70-K86 IonicContact OD2-NZ 3.89Å; D70-K86 PolarHBondContact OD2-NZ 3.28Å; R72-K86 WeakPolarHBondContact O-CE 3.37Å; R72-K86 PolarHBondContact O-NZ 2.87Å; V84-K86 HydrophobicContact CG1-CG 4.01Å; K86-T97 CarbonylContact O-C 3.21Å; K86-T97 VanDerWaalsContact O-CA 3.28Å; K86-T97 WeakPolarHBondContact O-CA 3.26Å; K86-S98 PolarHBondContact O-N 3.29Å; K86-S98 PolarHBondContact O-OG 2.9Å
87	I	97.5	Very high	93.9	Very high	7 Å²	7	42 Å²	42	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114	174	-49.3	-179.9	0	0	0	106.8	A69 V95 V96 T97 D228 F230	A69-I87 HydrophobicContact CB-CD1 3.89Å; A69-I87 HydrophobicContact CB-CG1 3.69Å; I87-V95 HydrophobicContact CG2-CB 4.08Å; I87-V95 HydrophobicContact CG2-CG2 4.2Å; I87-V96 CarbonylContact C-O 3.56Å; I87-V96 VanDerWaalsContact CA-O 3.31Å; I87-V96 WeakPolarHBondContact CA-O 3.46Å; I87-T97 HydrophobicContact CD1-CG2 4.48Å; I87-T97 HydrophobicContact CG1-CG2 4.06Å; I87-T97 HydrophobicContact CG2-CG2 4.38Å; I87-D228 HydrophobicContact CD1-CB 4.09Å; I87-D228 WeakPolarHBondContact CD1-O 3.3Å; I87-F230 HydrophobicContact CB-CD2 3.95Å; I87-F230 HydrophobicContact CB-CE2 3.78Å; I87-F230 HydrophobicContact CD1-CD2 3.77Å; I87-F230 HydrophobicContact CD1-CE2 4.23Å; I87-F230 HydrophobicContact CG1-CD2 4.47Å; I87-F230 HydrophobicContact CG2-CD2 3.55Å; I87-F230 HydrophobicContact CG2-CE2 3.74Å; I87-F230 HydrophobicContact CG2-CG 4.01Å; I87-F230 HydrophobicContact CG2-CZ 4.33Å
88	T	97.1	Very high	94.6	Very high	32 Å²	32	39.9 Å²	39.9	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.5	-176.7	-60.7	0	0	0	0	109.2	I90 V96 E109 I113	T88-I90 PolarHBondContact O-N 3.29Å; T88-V96 PolarHBondContact N-O 2.95Å; T88-V96 PolarHBondContact O-N 2.81Å; T88-E109 PolarHBondContact OG1-OE2 2.92Å; T88-I113 HydrophobicContact CG2-CD1 3.82Å
89	P	96.6	Very high	94.9	Very high	52 Å²	52	34.3 Å²	34.3	34%	0.338	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.2	172.8	28	-32.1	0	0	0	110.3	V95 W237	P89-V95 HydrophobicContact CB-CG1 4.33Å; P89-W237 HydrophobicContact CB-CD2 4.32Å; P89-W237 HydrophobicContact CB-CH2 4.35Å; P89-W237 HydrophobicContact CB-CZ2 3.62Å; P89-W237 HydrophobicContact CG-CH2 4.33Å; P89-W237 HydrophobicContact CG-CZ2 3.98Å
90	I	95	Very high	95	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.123	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-48.5	178.9	-53.8	-62.2	0	0	0	110.3	T88 L94 V96 I113 I116	T88-I90 PolarHBondContact O-N 3.29Å; I90-L94 HydrophobicContact CB-CB 4.43Å; I90-L94 HydrophobicContact CB-CD2 4.09Å; I90-L94 HydrophobicContact CB-CG 4.08Å; I90-L94 HydrophobicContact CG1-CD2 4.18Å; I90-L94 HydrophobicContact CG1-CG 4.07Å; I90-L94 HydrophobicContact CG2-CD2 4.2Å; I90-L94 PolarHBondContact N-O 2.92Å; I90-V96 HydrophobicContact CD1-CB 4.2Å; I90-V96 HydrophobicContact CD1-CG2 3.76Å; I90-V96 HydrophobicContact CG1-CB 4.28Å; I90-V96 HydrophobicContact CG1-CG2 3.52Å; I90-I113 HydrophobicContact CD1-CD1 3.91Å; I90-I113 HydrophobicContact CD1-CG1 3.3Å; I90-I113 HydrophobicContact CG2-CG1 4.36Å; I90-I116 HydrophobicContact CG2-CB 4.31Å; I90-I116 HydrophobicContact CG2-CD1 3.68Å; I90-I116 HydrophobicContact CG2-CG2 4.06Å
91	H	93.6	Very high	95	Very high	30 Å²	30	29 Å²	29	14%	0.139	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-176.2	173.8	63.8	75.6	0	0	0	109.1	H93 L94 W237	H91-H93 PolarHBondContact ND1-N 3.44Å; H91-H93 PolarHBondContact O-N 3.48Å; H91-L94 WeakPolarHBondContact CE1-CB 3.35Å; H91-L94 PolarHBondContact N-O 2.93Å; H91-L94 VanDerWaalsContact NE2-CB 3.26Å; H91-L94 WeakPolarHBondContact NE2-CB 3.3Å; H91-L94 PolarHBondContact O-N 3.28Å; H91-W237 PolarHBondContact O-NE1 2.91Å
92	S	92.7	Very high	94.8	Very high	43 Å²	43	28.9 Å²	28.9	30%	0.301	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18	-171.3	58.2	0	0	0	0	116.8	R126 G236 W237	S92-R126 PolarHBondContact OG-NH1 2.84Å; S92-R126 PolarHBondContact OG-NH2 2.93Å; S92-G236 CarbonylContact O-C 3.52Å; S92-G236 WeakPolarHBondContact O-CA 3.4Å; S92-W237 VanDerWaalsContact C-CD1 3.42Å; S92-W237 VanDerWaalsContact O-CD1 3.22Å; S92-W237 PolarHBondContact O-N 2.97Å
93	H	95.7	Very high	94.8	Very high	30 Å²	30	29.3 Å²	29.3	14%	0.139	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	9	-172.5	-66.9	85	0	0	0	113.1	H91 R126 G156 W157 A234 Q235	H91-H93 PolarHBondContact ND1-N 3.44Å; H91-H93 PolarHBondContact O-N 3.48Å; H93-R126 PolarHBondContact CE1-NH1 3.44Å; H93-R126 PolarHBondContact ND1-NH1 3.49Å; H93-G156 CarbonylContact O-C 3.54Å; H93-G156 WeakPolarHBondContact O-CA 3.31Å; H93-W157 WeakPolarHBondContact CB-O 3.49Å; H93-W157 PolarHBondContact O-N 3.4Å; H93-A234 PolarHBondContact NE2-O 3.49Å; H93-Q235 PolarHBondContact NE2-O 3.26Å
94	L	97.2	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.2	-177.9	174.5	61.7	0	0	0	109.5	I90 H91 I116 I129 L154	I90-L94 HydrophobicContact CB-CB 4.43Å; I90-L94 HydrophobicContact CB-CD2 4.09Å; I90-L94 HydrophobicContact CB-CG 4.08Å; I90-L94 HydrophobicContact CG1-CD2 4.18Å; I90-L94 HydrophobicContact CG1-CG 4.07Å; I90-L94 HydrophobicContact CG2-CD2 4.2Å; I90-L94 PolarHBondContact N-O 2.92Å; H91-L94 WeakPolarHBondContact CE1-CB 3.35Å; H91-L94 PolarHBondContact N-O 2.93Å; H91-L94 VanDerWaalsContact NE2-CB 3.26Å; H91-L94 WeakPolarHBondContact NE2-CB 3.3Å; H91-L94 PolarHBondContact O-N 3.28Å; L94-I116 HydrophobicContact CD2-CD1 4.34Å; L94-I129 HydrophobicContact CD1-CG1 4.32Å; L94-I129 HydrophobicContact CD1-CG2 4.14Å; L94-L154 HydrophobicContact CD1-CB 3.99Å; L94-L154 HydrophobicContact CD1-CD2 4.39Å; L94-L154 HydrophobicContact CD2-CD2 4.46Å
95	V	97.9	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152.7	168.4	-54.1	0	0	0	0	109.2	A67 I87 P89 C155 F230 I232 W237	A67-V95 HydrophobicContact CB-CG2 3.87Å; I87-V95 HydrophobicContact CG2-CB 4.08Å; I87-V95 HydrophobicContact CG2-CG2 4.2Å; P89-V95 HydrophobicContact CB-CG1 4.33Å; V95-C155 HydrophobicContact CG2-CB 3.83Å; V95-C155 PolarHBondContact N-O 3.2Å; V95-C155 PolarHBondContact O-N 2.94Å; V95-C155 VanDerWaalsContact O-O 3.06Å; V95-F230 HydrophobicContact CG1-CD1 3.94Å; V95-F230 HydrophobicContact CG1-CG 4.48Å; V95-I232 HydrophobicContact CG1-CG1 4.25Å; V95-I232 HydrophobicContact CG2-CD1 3.61Å; V95-I232 HydrophobicContact CG2-CG1 4.03Å; V95-W237 HydrophobicContact CG1-CB 3.89Å; V95-W237 HydrophobicContact CG1-CG 3.89Å
96	V	97.8	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.4	177.1	172.6	0	0	0	0	108.6	I87 T88 I90 L112 L152 T153 L154	I87-V96 CarbonylContact C-O 3.56Å; I87-V96 VanDerWaalsContact CA-O 3.31Å; I87-V96 WeakPolarHBondContact CA-O 3.46Å; T88-V96 PolarHBondContact N-O 2.95Å; T88-V96 PolarHBondContact O-N 2.81Å; I90-V96 HydrophobicContact CD1-CB 4.2Å; I90-V96 HydrophobicContact CD1-CG2 3.76Å; I90-V96 HydrophobicContact CG1-CB 4.28Å; I90-V96 HydrophobicContact CG1-CG2 3.52Å; V96-L112 HydrophobicContact CG2-CD2 4.41Å; V96-L152 HydrophobicContact CG1-CB 3.79Å; V96-L152 HydrophobicContact CG1-CD1 4.22Å; V96-L152 HydrophobicContact CG1-CD2 3.97Å; V96-L152 HydrophobicContact CG1-CG 4.19Å; V96-T153 CarbonylContact C-O 3.59Å; V96-T153 WeakPolarHBondContact CA-O 3.28Å; V96-L154 HydrophobicContact CG2-CG 4.08Å
97	T	97.4	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	166.6	77.5	0	0	0	0	109.7	T56 A67 K86 I87 L152 T153	T56-T97 PolarHBondContact OG1-OG1 2.87Å; A67-T97 HydrophobicContact CB-CG2 3.97Å; K86-T97 CarbonylContact O-C 3.21Å; K86-T97 VanDerWaalsContact O-CA 3.28Å; K86-T97 WeakPolarHBondContact O-CA 3.26Å; I87-T97 HydrophobicContact CD1-CG2 4.48Å; I87-T97 HydrophobicContact CG1-CG2 4.06Å; I87-T97 HydrophobicContact CG2-CG2 4.38Å; T97-L152 CarbonylContact O-C 3.57Å; T97-L152 WeakPolarHBondContact O-CA 3.39Å; T97-T153 PolarHBondContact N-O 3.46Å; T97-T153 PolarHBondContact O-N 3.18Å; T97-T153 WeakPolarHBondContact OG1-CB 3.24Å
98	S	95.7	Very high	94.7	Very high	13 Å²	13	30.3 Å²	30.3	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	179.7	60.9	0	0	0	0	113.3	T56 K86 E109	T56-S98 WeakPolarHBondContact CG2-O 3.46Å; K86-S98 PolarHBondContact O-N 3.29Å; K86-S98 PolarHBondContact O-OG 2.9Å; S98-E109 VanDerWaalsContact CB-OE1 3.24Å; S98-E109 WeakPolarHBondContact CB-OE1 3.16Å
99	S	93.6	Very high	94.7	Very high	13 Å²	13	29.5 Å²	29.5	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.2	170.5	172.1	0	0	0	0	111.6	T54 C105 V150 A151	T54-S99 VanDerWaalsContact CG2-OG 3.22Å; T54-S99 WeakPolarHBondContact CG2-OG 3.39Å; S99-C105 VanDerWaalsContact C-SG 3.57Å; S99-C105 PolarHBondContact O-SG 3.02Å; S99-C105 VanDerWaalsContact O-SG 3.4Å; S99-V150 CarbonylContact O-C 3.45Å; S99-A151 PolarHBondContact N-O 3.13Å; S99-A151 WeakPolarHBondContact O-CB 3.47Å; S99-A151 PolarHBondContact O-N 2.92Å
100	G	91.6	Very high	94.7	Very high	21 Å²	21	35.2 Å²	35.2	22%	0.216	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.1	-149.8	179.8	0	0	0	0	0	112.3	G102	G100-G102 PolarHBondContact O-N 2.93Å
101	S	91.4	Very high	94.8	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	21%	0.208	C	C	.	.			trans	-66.9	124.5	174	171.8	0	0	0	0	109.6	A103 D104 C105 C149	S101-A103 PolarHBondContact O-N 2.78Å; S101-D104 WeakPolarHBondContact CB-OD2 3.21Å; S101-D104 PolarHBondContact O-N 3.31Å; S101-D104 VanDerWaalsContact O-N 3.13Å; S101-C105 WeakPolarHBondContact O-CB 3.3Å; S101-C105 PolarHBondContact O-N 3.13Å; S101-C105 PolarHBondContact O-SG 2.63Å; S101-C149 PolarHBondContact N-O 3.42Å
102	G	90.3	Very high	95	Very high	46 Å²	46	35.1 Å²	35.1	47%	0.474	20%	0.202	S	C	.	.	H	α-helix	trans	-56.5	-38.1	-178	0	0	0	0	0	113.2	G100 M106	G100-G102 PolarHBondContact O-N 2.93Å; G102-M106 WeakPolarHBondContact O-CB 3.45Å; G102-M106 WeakPolarHBondContact O-CG 3.3Å; G102-M106 PolarHBondContact O-N 3.46Å
103	A	91.2	Very high	95.2	Very high	72 Å²	72	35.7 Å²	35.7	60%	0.595	20%	0.2	S	C	*	.	H	α-helix	trans	-66.2	-44.3	177.7	0	0	0	0	0	112.3	S101 L107	S101-A103 PolarHBondContact O-N 2.78Å; A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 PolarHBondContact O-N 3.36Å; A103-L107 VanDerWaalsContact O-N 3.09Å
104	D	93.9	Very high	95.3	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-44.4	179.5	-65.3	-22	0	0	0	110.4	S101 L107 W108 C149 V150	S101-D104 WeakPolarHBondContact CB-OD2 3.21Å; S101-D104 PolarHBondContact O-N 3.31Å; S101-D104 VanDerWaalsContact O-N 3.13Å; D104-L107 PolarHBondContact O-N 3.38Å; D104-W108 WeakPolarHBondContact O-CB 3.25Å; D104-W108 PolarHBondContact O-N 3.36Å; D104-C149 PolarHBondContact OD2-N 3.4Å; D104-V150 HydrophobicContact CB-CB 4.37Å
105	C	94.5	Very high	95.3	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.027	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-53.4	176.7	-67.1	0	0	0	0	111.2	S99 S101 L107 W108 E109	S99-C105 VanDerWaalsContact C-SG 3.57Å; S99-C105 PolarHBondContact O-SG 3.02Å; S99-C105 VanDerWaalsContact O-SG 3.4Å; S101-C105 WeakPolarHBondContact O-CB 3.3Å; S101-C105 PolarHBondContact O-N 3.13Å; S101-C105 PolarHBondContact O-SG 2.63Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.23Å; C105-W108 PolarHBondContact O-N 3.47Å; C105-E109 WeakPolarHBondContact O-CB 3.43Å; C105-E109 VanDerWaalsContact O-CG 3.27Å; C105-E109 WeakPolarHBondContact O-CG 3.35Å; C105-E109 PolarHBondContact O-N 3.42Å
106	M	94.5	Very high	95.2	Very high	101 Å²	101	44 Å²	44	50%	0.498	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-39.7	179.8	-73.8	175.9	67.3	0	0	112.6	G102 R110	G102-M106 WeakPolarHBondContact O-CB 3.45Å; G102-M106 WeakPolarHBondContact O-CG 3.3Å; G102-M106 PolarHBondContact O-N 3.46Å; M106-R110 WeakPolarHBondContact O-CB 3.42Å; M106-R110 WeakPolarHBondContact O-CD 3.5Å; M106-R110 VanDerWaalsContact O-CG 3.24Å; M106-R110 WeakPolarHBondContact O-CG 3.26Å; M106-R110 PolarHBondContact O-N 2.95Å
107	L	95.8	Very high	95.1	Very high	95 Å²	95	50.3 Å²	50.3	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-51.2	177.7	176	61.7	0	0	0	111.1	A103 D104 C105 R110 I111	A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 PolarHBondContact O-N 3.36Å; A103-L107 VanDerWaalsContact O-N 3.09Å; D104-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.23Å; L107-R110 PolarHBondContact O-N 2.93Å; L107-I111 HydrophobicContact CD1-CD1 3.97Å; L107-I111 HydrophobicContact CD1-CG1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.96Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.38Å
108	W	96.3	Very high	95.1	Very high	19 Å²	19	53.3 Å²	53.3	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-35.7	-176	-81.5	111.6	0	0	0	113.2	D104 C105 I111 L112 L136 M139 L140 F143 V150 L152	D104-W108 WeakPolarHBondContact O-CB 3.25Å; D104-W108 PolarHBondContact O-N 3.36Å; C105-W108 PolarHBondContact O-N 3.47Å; W108-I111 HydrophobicContact CE3-CB 4.45Å; W108-I111 HydrophobicContact CE3-CD1 4.14Å; W108-I111 HydrophobicContact CE3-CG2 4.44Å; W108-I111 HydrophobicContact CZ3-CD1 4.27Å; W108-I111 HydrophobicContact CZ3-CG2 4.35Å; W108-I111 PolarHBondContact O-N 3.48Å; W108-L112 VanDerWaalsContact O-CB 3.31Å; W108-L112 WeakPolarHBondContact O-CB 3.49Å; W108-L112 PolarHBondContact O-N 3.02Å; W108-L136 HydrophobicContact CE3-CD1 4.41Å; W108-M139 HydrophobicContact CH2-CB 4.22Å; W108-M139 WeakPolarHBondContact CH2-O 3.32Å; W108-M139 HydrophobicContact CZ3-CB 3.73Å; W108-L140 HydrophobicContact CD2-CD2 3.56Å; W108-L140 HydrophobicContact CD2-CG 4.39Å; W108-L140 HydrophobicContact CE3-CD2 4.01Å; W108-L140 HydrophobicContact CE3-CG 4.39Å; W108-L140 HydrophobicContact CG-CD2 4.05Å; W108-L140 HydrophobicContact CH2-CD2 4.03Å; W108-L140 HydrophobicContact CZ2-CD2 3.58Å; W108-L140 HydrophobicContact CZ3-CD2 4.24Å; W108-L140 HydrophobicContact CZ3-CG 4.47Å; W108-F143 AromaticContact CH2-CD2 3.92Å; W108-F143 HydrophobicContact CH2-CD2 3.92Å; W108-F143 AromaticContact CH2-CE2 3.53Å; W108-F143 HydrophobicContact CH2-CE2 3.53Å; W108-F143 HydrophobicContact CH2-CZ 4.31Å; W108-F143 AromaticContact CZ2-CD2 3.6Å; W108-F143 HydrophobicContact CZ2-CD2 3.6Å; W108-F143 AromaticContact CZ2-CE2 3.45Å; W108-F143 HydrophobicContact CZ2-CE2 3.45Å; W108-F143 VanDerWaalsContact CZ2-CE2 3.45Å; W108-F143 HydrophobicContact CZ2-CG 4.3Å; W108-F143 HydrophobicContact CZ2-CZ 4.02Å; W108-V150 HydrophobicContact CB-CG2 4.19Å; W108-V150 HydrophobicContact CG-CG1 4.3Å; W108-V150 HydrophobicContact CG-CG2 4.49Å; W108-L152 HydrophobicContact CB-CD1 4.43Å
109	E	95.9	Very high	95.2	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.065	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-47.4	170.8	-74.7	-175.4	163.3	0	0	111.6	T88 S98 C105 I111 L112 I113 L152	T88-E109 PolarHBondContact OG1-OE2 2.92Å; S98-E109 VanDerWaalsContact CB-OE1 3.24Å; S98-E109 WeakPolarHBondContact CB-OE1 3.16Å; C105-E109 WeakPolarHBondContact O-CB 3.43Å; C105-E109 VanDerWaalsContact O-CG 3.27Å; C105-E109 WeakPolarHBondContact O-CG 3.35Å; C105-E109 PolarHBondContact O-N 3.42Å; E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 2.79Å; E109-L112 PolarHBondContact O-N 3.35Å; E109-I113 WeakPolarHBondContact O-CB 3.44Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.24Å; E109-I113 PolarHBondContact O-N 2.9Å; E109-L152 HydrophobicContact CG-CD1 4.22Å; E109-L152 HydrophobicContact CG-CD2 3.96Å
110	R	96.8	Very high	95.2	Very high	172 Å²	172	56 Å²	56	65%	0.649	28%	0.28	S	S	*	.	H	α-helix	trans	-61.7	-42	178.8	-75.6	172.8	174	-171.8	-1.3	112.3	M106 L107 R114	M106-R110 WeakPolarHBondContact O-CB 3.42Å; M106-R110 WeakPolarHBondContact O-CD 3.5Å; M106-R110 VanDerWaalsContact O-CG 3.24Å; M106-R110 WeakPolarHBondContact O-CG 3.26Å; M106-R110 PolarHBondContact O-N 2.95Å; L107-R110 PolarHBondContact O-N 2.93Å; R110-R114 WeakPolarHBondContact O-CB 3.43Å; R110-R114 PolarHBondContact O-N 2.89Å
111	I	97.3	Very high	95.4	Very high	53 Å²	53	60.3 Å²	60.3	27%	0.272	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-47.9	175.3	-68.1	167.7	0	0	0	109.8	L107 W108 E109 I113 R114 E115 M139	L107-I111 HydrophobicContact CD1-CD1 3.97Å; L107-I111 HydrophobicContact CD1-CG1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.96Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.38Å; W108-I111 HydrophobicContact CE3-CB 4.45Å; W108-I111 HydrophobicContact CE3-CD1 4.14Å; W108-I111 HydrophobicContact CE3-CG2 4.44Å; W108-I111 HydrophobicContact CZ3-CD1 4.27Å; W108-I111 HydrophobicContact CZ3-CG2 4.35Å; W108-I111 PolarHBondContact O-N 3.48Å; E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 2.79Å; I111-I113 PolarHBondContact O-N 2.91Å; I111-R114 WeakPolarHBondContact O-CB 3.13Å; I111-R114 PolarHBondContact O-N 2.84Å; I111-E115 WeakPolarHBondContact O-CG 3.35Å; I111-E115 PolarHBondContact O-N 2.9Å; I111-M139 HydrophobicContact CG2-CE 4.19Å; I111-M139 HydrophobicContact CG2-SD 3.91Å
112	L	97.3	Very high	95.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-47.2	179.9	-177.6	62.5	0	0	0	112.1	V96 W108 E109 R114 E115 I116 L136 M139 L152	V96-L112 HydrophobicContact CG2-CD2 4.41Å; W108-L112 VanDerWaalsContact O-CB 3.31Å; W108-L112 WeakPolarHBondContact O-CB 3.49Å; W108-L112 PolarHBondContact O-N 3.02Å; E109-L112 PolarHBondContact O-N 3.35Å; L112-R114 VanDerWaalsContact C-N 3.31Å; L112-R114 PolarHBondContact O-N 2.98Å; L112-E115 PolarHBondContact O-N 2.95Å; L112-I116 HydrophobicContact CD1-CD1 3.73Å; L112-I116 HydrophobicContact CD1-CG1 4.18Å; L112-I116 HydrophobicContact CD2-CD1 4.44Å; L112-I116 HydrophobicContact CG-CD1 3.73Å; L112-I116 HydrophobicContact CG-CG1 4.49Å; L112-I116 WeakPolarHBondContact O-CB 3.46Å; L112-I116 VanDerWaalsContact O-CG1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.46Å; L112-I116 PolarHBondContact O-N 3.46Å; L112-L136 HydrophobicContact CD1-CB 4.05Å; L112-L136 HydrophobicContact CD1-CD1 4.48Å; L112-L136 HydrophobicContact CD2-CD1 4.44Å; L112-L136 HydrophobicContact CD2-CD2 4.2Å; L112-M139 HydrophobicContact CD1-CE 4.15Å; L112-L152 HydrophobicContact CD2-CD1 4.39Å
113	I	96.9	Very high	96	Very high	54 Å²	54	70.2 Å²	70.2	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-57.4	-47	176.9	-69.3	163.9	0	0	0	110.2	T88 I90 E109 I111 I116 R117	T88-I113 HydrophobicContact CG2-CD1 3.82Å; I90-I113 HydrophobicContact CD1-CD1 3.91Å; I90-I113 HydrophobicContact CD1-CG1 3.3Å; I90-I113 HydrophobicContact CG2-CG1 4.36Å; E109-I113 WeakPolarHBondContact O-CB 3.44Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.24Å; E109-I113 PolarHBondContact O-N 2.9Å; I111-I113 PolarHBondContact O-N 2.91Å; I113-I116 PolarHBondContact O-N 3.43Å; I113-R117 VanDerWaalsContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 PolarHBondContact O-N 3.3Å
114	R	97.5	Very high	96.2	Very high	155 Å²	155	76.1 Å²	76.1	59%	0.585	34%	0.335	S	S	*	.	H	α-helix	trans	-57.6	-51.8	178	177.8	-167.1	178.7	-116.7	8.3	111.1	R110 I111 L112 I116 R117 L118	R110-R114 WeakPolarHBondContact O-CB 3.43Å; R110-R114 PolarHBondContact O-N 2.89Å; I111-R114 WeakPolarHBondContact O-CB 3.13Å; I111-R114 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact C-N 3.31Å; L112-R114 PolarHBondContact O-N 2.98Å; R114-I116 PolarHBondContact O-N 3.43Å; R114-R117 PolarHBondContact O-N 2.99Å; R114-L118 HydrophobicContact CG-CD1 3.9Å; R114-L118 HydrophobicContact CG-CG 4.38Å; R114-L118 WeakPolarHBondContact O-CB 3.48Å; R114-L118 VanDerWaalsContact O-CG 3.3Å; R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 3.42Å
115	E	97.4	Very high	96.2	Very high	44 Å²	44	82 Å²	82	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-41.1	-176.4	-67.7	-53.3	134.7	0	0	112.3	I111 L112 R117 L118 Y119 L135 M139	I111-E115 WeakPolarHBondContact O-CG 3.35Å; I111-E115 PolarHBondContact O-N 2.9Å; L112-E115 PolarHBondContact O-N 2.95Å; E115-R117 VanDerWaalsContact C-N 3.34Å; E115-R117 PolarHBondContact O-N 2.83Å; E115-L118 PolarHBondContact O-N 2.94Å; E115-Y119 WeakPolarHBondContact O-CB 3.48Å; E115-Y119 PolarHBondContact O-N 3.29Å; E115-L135 HydrophobicContact CB-CD2 3.79Å; E115-M139 HydrophobicContact CG-SD 4.06Å
116	I	96.9	Very high	96	Very high	5 Å²	5	88 Å²	88	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.6	-68.9	171.4	0	0	0	110.4	I90 L94 L112 I113 R114 Y119 E120 L127	I90-I116 HydrophobicContact CG2-CB 4.31Å; I90-I116 HydrophobicContact CG2-CD1 3.68Å; I90-I116 HydrophobicContact CG2-CG2 4.06Å; L94-I116 HydrophobicContact CD2-CD1 4.34Å; L112-I116 HydrophobicContact CD1-CD1 3.73Å; L112-I116 HydrophobicContact CD1-CG1 4.18Å; L112-I116 HydrophobicContact CD2-CD1 4.44Å; L112-I116 HydrophobicContact CG-CD1 3.73Å; L112-I116 HydrophobicContact CG-CG1 4.49Å; L112-I116 WeakPolarHBondContact O-CB 3.46Å; L112-I116 VanDerWaalsContact O-CG1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.46Å; L112-I116 PolarHBondContact O-N 3.46Å; I113-I116 PolarHBondContact O-N 3.43Å; R114-I116 PolarHBondContact O-N 3.43Å; I116-Y119 WeakPolarHBondContact O-CB 3.36Å; I116-Y119 PolarHBondContact O-N 3.5Å; I116-E120 PolarHBondContact O-N 3.4Å; I116-L127 HydrophobicContact CG1-CD2 4.04Å; I116-L127 HydrophobicContact CG2-CB 4.41Å
117	R	95.9	Very high	96.1	Very high	134 Å²	134	84 Å²	84	51%	0.506	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-42	179.3	-172.7	58.3	174	177.5	-2.6	112.3	I113 R114 E115 Y119 E120 L121	I113-R117 VanDerWaalsContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 PolarHBondContact O-N 3.3Å; R114-R117 PolarHBondContact O-N 2.99Å; E115-R117 VanDerWaalsContact C-N 3.34Å; E115-R117 PolarHBondContact O-N 2.83Å; R117-Y119 VanDerWaalsContact C-N 3.28Å; R117-Y119 PolarHBondContact O-N 2.84Å; R117-E120 IonicContact CZ-OE2 3.62Å; R117-E120 IonicContact NH1-OE1 2.7Å; R117-E120 IonicContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact NH1-OE2 3.01Å; R117-E120 PolarHBondContact O-N 3.46Å; R117-L121 HydrophobicContact CG-CD1 4.41Å; R117-L121 WeakPolarHBondContact O-CG 3.48Å; R117-L121 PolarHBondContact O-N 2.99Å
118	L	97	Very high	96	Very high	63 Å²	63	82 Å²	82	33%	0.33	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-36	174.2	-74.4	174.8	0	0	0	112	R114 E115 R122	R114-L118 HydrophobicContact CG-CD1 3.9Å; R114-L118 HydrophobicContact CG-CG 4.38Å; R114-L118 WeakPolarHBondContact O-CB 3.48Å; R114-L118 VanDerWaalsContact O-CG 3.3Å; R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 3.42Å; E115-L118 PolarHBondContact O-N 2.94Å; L118-R122 WeakPolarHBondContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.33Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.15Å; L118-R122 PolarHBondContact O-NE 2.92Å
119	Y	96.8	Very high	96	Very high	45 Å²	45	81.3 Å²	81.3	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-48.2	173.5	-177.5	-88.1	0	0	0	111.4	E115 I116 R117 L121 R122 H123 R125 L127	E115-Y119 WeakPolarHBondContact O-CB 3.48Å; E115-Y119 PolarHBondContact O-N 3.29Å; I116-Y119 WeakPolarHBondContact O-CB 3.36Å; I116-Y119 PolarHBondContact O-N 3.5Å; R117-Y119 VanDerWaalsContact C-N 3.28Å; R117-Y119 PolarHBondContact O-N 2.84Å; Y119-L121 PolarHBondContact O-N 2.91Å; Y119-R122 PolarHBondContact O-N 2.92Å; Y119-H123 AromaticContact CD2-CE1 3.84Å; Y119-H123 AromaticContact CD2-ND1 3.69Å; Y119-H123 HydrophobicContact CE1-CB 4.29Å; Y119-H123 AromaticContact CE2-CE1 3.69Å; Y119-H123 AromaticContact CE2-ND1 3.66Å; Y119-H123 AromaticContact CZ-ND1 3.98Å; Y119-H123 PolarHBondContact O-N 3.01Å; Y119-H123 PolarHBondContact O-ND1 3.36Å; Y119-H123 VanDerWaalsContact O-ND1 3.1Å; Y119-R125 HydrophobicContact CE1-CG 4.08Å; Y119-R125 VanDerWaalsContact OH-CZ 3.26Å; Y119-R125 PolarHBondContact OH-NE 3.34Å; Y119-R125 VanDerWaalsContact OH-NE 3.14Å; Y119-R125 PolarHBondContact OH-NH2 2.98Å; Y119-L127 HydrophobicContact CD1-CB 3.88Å; Y119-L127 HydrophobicContact CD1-CD1 3.79Å; Y119-L127 HydrophobicContact CD1-CG 4.37Å; Y119-L127 HydrophobicContact CD2-CD1 4.13Å; Y119-L127 HydrophobicContact CE1-CB 4.22Å; Y119-L127 HydrophobicContact CE1-CD1 3.61Å; Y119-L127 HydrophobicContact CE2-CD1 3.96Å; Y119-L127 HydrophobicContact CG-CB 4.48Å; Y119-L127 HydrophobicContact CG-CD1 4.04Å
120	E	94.9	Very high	96	Very high	37 Å²	37	85.2 Å²	85.2	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-43.9	179.7	-172.3	-178.9	-157.6	0	0	111.9	I116 R117 K124 R125 R126	I116-E120 PolarHBondContact O-N 3.4Å; R117-E120 IonicContact CZ-OE2 3.62Å; R117-E120 IonicContact NH1-OE1 2.7Å; R117-E120 IonicContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact NH1-OE2 3.01Å; R117-E120 PolarHBondContact O-N 3.46Å; E120-K124 WeakPolarHBondContact O-CA 3.07Å; E120-K124 PolarHBondContact O-N 3.37Å; E120-R125 WeakPolarHBondContact CA-O 3.39Å; E120-R126 WeakPolarHBondContact OE1-CG 3.39Å; E120-R126 IonicContact OE1-NE 3.76Å
121	L	96.1	Very high	96	Very high	112 Å²	112	78.6 Å²	78.6	59%	0.586	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-39.6	177.3	-70.2	172.4	0	0	0	112.7	R117 Y119	R117-L121 HydrophobicContact CG-CD1 4.41Å; R117-L121 WeakPolarHBondContact O-CG 3.48Å; R117-L121 PolarHBondContact O-N 2.99Å; Y119-L121 PolarHBondContact O-N 2.91Å
122	R	97.6	Very high	96	Very high	170 Å²	170	76.1 Å²	76.1	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-71.9	-41.4	-179.6	-76.9	-175.5	-71.7	179.2	-4.5	113.1	L118 Y119	L118-R122 WeakPolarHBondContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.33Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.15Å; L118-R122 PolarHBondContact O-NE 2.92Å; Y119-R122 PolarHBondContact O-N 2.92Å
123	H	96.1	Very high	96	Very high	95 Å²	95	76.1 Å²	76.1	44%	0.44	33%	0.333	S	S	.	.	H	α-helix	trans	-104.7	-2.7	-171.2	-59.8	79.9	0	0	0	113.3	Y119 R125	Y119-H123 AromaticContact CD2-CE1 3.84Å; Y119-H123 AromaticContact CD2-ND1 3.69Å; Y119-H123 HydrophobicContact CE1-CB 4.29Å; Y119-H123 AromaticContact CE2-CE1 3.69Å; Y119-H123 AromaticContact CE2-ND1 3.66Å; Y119-H123 AromaticContact CZ-ND1 3.98Å; Y119-H123 PolarHBondContact O-N 3.01Å; Y119-H123 PolarHBondContact O-ND1 3.36Å; Y119-H123 VanDerWaalsContact O-ND1 3.1Å; H123-R125 HydrophobicContact CB-CG 3.83Å; H123-R125 PolarHBondContact O-N 2.91Å
124	K	95	Very high	96	Very high	197 Å²	197	78.9 Å²	78.9	86%	0.857	34%	0.343	S	S	*	.	S	Bend	trans	52.2	27.5	-175	-57.1	-177.4	179.5	-179.3	0	113.2	E120	E120-K124 WeakPolarHBondContact O-CA 3.07Å; E120-K124 PolarHBondContact O-N 3.37Å
125	R	93	Very high	96	Very high	152 Å²	152	74.1 Å²	74.1	57%	0.574	33%	0.329	S	S	*	.	S	Bend	trans	-142.5	146	179.8	73.4	179.6	-175.6	152.8	-8.9	110.4	Y119 E120 H123	Y119-R125 HydrophobicContact CE1-CG 4.08Å; Y119-R125 VanDerWaalsContact OH-CZ 3.26Å; Y119-R125 PolarHBondContact OH-NE 3.34Å; Y119-R125 VanDerWaalsContact OH-NE 3.14Å; Y119-R125 PolarHBondContact OH-NH2 2.98Å; E120-R125 WeakPolarHBondContact CA-O 3.39Å; H123-R125 HydrophobicContact CB-CG 3.83Å; H123-R125 PolarHBondContact O-N 2.91Å
126	R	91.9	Very high	96	Very high	131 Å²	131	72 Å²	72	49%	0.494	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-70.6	145.3	177	-63.9	175.6	-173.2	164.7	0.1	110.8	S92 H93 E120	S92-R126 PolarHBondContact OG-NH1 2.84Å; S92-R126 PolarHBondContact OG-NH2 2.93Å; H93-R126 PolarHBondContact CE1-NH1 3.44Å; H93-R126 PolarHBondContact ND1-NH1 3.49Å; E120-R126 WeakPolarHBondContact OE1-CG 3.39Å; E120-R126 IonicContact OE1-NE 3.76Å
127	L	94.8	Very high	96.1	Very high	17 Å²	17	72.4 Å²	72.4	9%	0.089	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-75.3	132.1	173.4	-166.3	64.1	0	0	0	109.1	I116 Y119 A131 L135	I116-L127 HydrophobicContact CG1-CD2 4.04Å; I116-L127 HydrophobicContact CG2-CB 4.41Å; Y119-L127 HydrophobicContact CD1-CB 3.88Å; Y119-L127 HydrophobicContact CD1-CD1 3.79Å; Y119-L127 HydrophobicContact CD1-CG 4.37Å; Y119-L127 HydrophobicContact CD2-CD1 4.13Å; Y119-L127 HydrophobicContact CE1-CB 4.22Å; Y119-L127 HydrophobicContact CE1-CD1 3.61Å; Y119-L127 HydrophobicContact CE2-CD1 3.96Å; Y119-L127 HydrophobicContact CG-CB 4.48Å; Y119-L127 HydrophobicContact CG-CD1 4.04Å; L127-A131 HydrophobicContact CD1-CB 3.62Å; L127-A131 HydrophobicContact CD2-CB 4.41Å; L127-A131 HydrophobicContact CG-CB 3.82Å; L127-L135 HydrophobicContact CD2-CD2 4.13Å
128	S	94.9	Very high	96.2	Very high	54 Å²	54	69.1 Å²	69.1	38%	0.378	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-62.6	153.1	175.3	64.7	0	0	0	0	110.9	R130 A131 S132 E158	S128-R130 VanDerWaalsContact C-N 3.28Å; S128-R130 PolarHBondContact O-N 2.89Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 WeakPolarHBondContact OG-CB 3.14Å; S128-A131 PolarHBondContact OG-N 3.34Å; S128-S132 PolarHBondContact O-N 2.82Å; S128-S132 PolarHBondContact O-OG 2.92Å; S128-E158 WeakPolarHBondContact CB-OE2 3.48Å
129	I	96.3	Very high	96.1	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-39.9	-175.9	-58.4	167.2	0	0	0	110.4	L94 A131 S132 A133 L154 G156 E158 R163 I165	L94-I129 HydrophobicContact CD1-CG1 4.32Å; L94-I129 HydrophobicContact CD1-CG2 4.14Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 2.95Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 3.11Å; I129-A133 PolarHBondContact O-N 3.3Å; I129-L154 HydrophobicContact CG2-CB 4.18Å; I129-G156 VanDerWaalsContact CD1-CA 3.5Å; I129-G156 WeakPolarHBondContact CD1-O 3.38Å; I129-E158 HydrophobicContact CD1-CB 4.05Å; I129-E158 HydrophobicContact CD1-CG 4.2Å; I129-E158 HydrophobicContact CG1-CB 4.39Å; I129-E158 PolarHBondContact N-OE2 3.18Å; I129-R163 HydrophobicContact CB-CB 4.46Å; I129-R163 HydrophobicContact CD1-CB 4.16Å; I129-R163 HydrophobicContact CG2-CB 4.17Å; I129-I165 HydrophobicContact CG2-CD1 4.21Å
130	R	96.1	Very high	96.1	Very high	96 Å²	96	66 Å²	66	36%	0.362	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-41.6	174.8	-66.4	-176.3	-178.9	111	-16.9	112.5	S128 A133 K134 E158 S160 R163 I165	S128-R130 VanDerWaalsContact C-N 3.28Å; S128-R130 PolarHBondContact O-N 2.89Å; R130-A133 PolarHBondContact O-N 2.98Å; R130-K134 WeakPolarHBondContact O-CB 3.42Å; R130-K134 PolarHBondContact O-N 3.46Å; R130-E158 IonicContact CZ-OE1 3.52Å; R130-E158 IonicContact NH1-OE1 3.97Å; R130-E158 PolarHBondContact NH1-OE1 2.89Å; R130-S160 PolarHBondContact NH1-OG 2.91Å; R130-R163 VanDerWaalsContact NH2-NH2 3.11Å; R130-I165 HydrophobicContact CB-CD1 4.44Å; R130-I165 HydrophobicContact CG-CD1 3.94Å
131	A	96.3	Very high	96.2	Very high	34 Å²	34	69.6 Å²	69.6	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-38.2	177.4	0	0	0	0	0	111.6	L127 S128 I129 K134 L135	L127-A131 HydrophobicContact CD1-CB 3.62Å; L127-A131 HydrophobicContact CD2-CB 4.41Å; L127-A131 HydrophobicContact CG-CB 3.82Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 WeakPolarHBondContact OG-CB 3.14Å; S128-A131 PolarHBondContact OG-N 3.34Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 2.95Å; A131-K134 PolarHBondContact O-N 2.86Å; A131-L135 VanDerWaalsContact O-CB 3.31Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 PolarHBondContact O-N 2.77Å
132	S	97.2	Very high	96.1	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-46.2	171.9	-59	0	0	0	0	111.5	S128 I129 K134 L135 L136	S128-S132 PolarHBondContact O-N 2.82Å; S128-S132 PolarHBondContact O-OG 2.92Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 3.11Å; S132-K134 PolarHBondContact O-N 2.9Å; S132-L135 PolarHBondContact O-N 3.34Å; S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 2.99Å
133	A	97.3	Very high	95.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-37.9	176.1	0	0	0	0	0	112.4	I129 R130 S137 L154 I165 V167 R173	I129-A133 PolarHBondContact O-N 3.3Å; R130-A133 PolarHBondContact O-N 2.98Å; A133-S137 VanDerWaalsContact O-CB 3.24Å; A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.34Å; A133-L154 HydrophobicContact CB-CD1 4.18Å; A133-L154 HydrophobicContact CB-CD2 4.1Å; A133-I165 HydrophobicContact CB-CB 4.08Å; A133-I165 HydrophobicContact CB-CD1 4.04Å; A133-I165 HydrophobicContact CB-CG2 3.58Å; A133-V167 HydrophobicContact CB-CG2 4.05Å; A133-R173 HydrophobicContact CB-CG 4.46Å
134	K	97.6	Very high	95.8	Very high	113 Å²	113	66.4 Å²	66.4	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-41.7	176.2	-178.9	56.7	178.1	169.5	0	111.9	R130 A131 S132 S137 C138	R130-K134 WeakPolarHBondContact O-CB 3.42Å; R130-K134 PolarHBondContact O-N 3.46Å; A131-K134 PolarHBondContact O-N 2.86Å; S132-K134 PolarHBondContact O-N 2.9Å; K134-S137 PolarHBondContact O-N 3.42Å; K134-C138 VanDerWaalsContact CE-SG 3.59Å; K134-C138 WeakPolarHBondContact O-CB 3.29Å; K134-C138 PolarHBondContact O-N 2.9Å; K134-C138 PolarHBondContact O-SG 3.47Å; K134-C138 VanDerWaalsContact O-SG 3.38Å
135	L	97.7	Very high	95.4	Very high	54 Å²	54	61.1 Å²	61.1	28%	0.283	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-50.9	174.9	176.5	64.7	0	0	0	110.3	E115 L127 A131 S132 S137 C138 M139	E115-L135 HydrophobicContact CB-CD2 3.79Å; L127-L135 HydrophobicContact CD2-CD2 4.13Å; A131-L135 VanDerWaalsContact O-CB 3.31Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 PolarHBondContact O-N 2.77Å; S132-L135 PolarHBondContact O-N 3.34Å; L135-S137 PolarHBondContact O-N 2.82Å; L135-C138 PolarHBondContact O-N 3.4Å; L135-M139 HydrophobicContact CD1-CG 4.43Å; L135-M139 HydrophobicContact CD1-SD 4.37Å; L135-M139 HydrophobicContact CG-CE 4.03Å; L135-M139 HydrophobicContact CG-SD 4.35Å; L135-M139 WeakPolarHBondContact O-CG 3.49Å; L135-M139 PolarHBondContact O-N 2.86Å
136	L	97.6	Very high	95.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-48.4	176.9	-178.2	64.1	0	0	0	112.2	W108 L112 S132 C138 M139 L140 L152 L154 V167	W108-L136 HydrophobicContact CE3-CD1 4.41Å; L112-L136 HydrophobicContact CD1-CB 4.05Å; L112-L136 HydrophobicContact CD1-CD1 4.48Å; L112-L136 HydrophobicContact CD2-CD1 4.44Å; L112-L136 HydrophobicContact CD2-CD2 4.2Å; S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 2.99Å; L136-C138 VanDerWaalsContact C-N 3.3Å; L136-C138 PolarHBondContact O-N 3.23Å; L136-M139 HydrophobicContact CD1-CE 4.25Å; L136-M139 PolarHBondContact O-N 2.92Å; L136-M139 VanDerWaalsContact O-N 3.13Å; L136-L140 HydrophobicContact CD1-CD1 3.8Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CD2-CD1 4.4Å; L136-L140 HydrophobicContact CG-CD1 3.79Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 PolarHBondContact O-N 3.21Å; L136-L152 HydrophobicContact CD1-CD1 4.11Å; L136-L152 HydrophobicContact CD2-CB 3.81Å; L136-L152 HydrophobicContact CD2-CD1 3.71Å; L136-L152 HydrophobicContact CD2-CG 4.19Å; L136-L154 HydrophobicContact CD2-CD1 4.09Å; L136-V167 HydrophobicContact CB-CG1 4.46Å; L136-V167 HydrophobicContact CD2-CB 3.69Å; L136-V167 HydrophobicContact CD2-CG1 3.92Å; L136-V167 HydrophobicContact CD2-CG2 3.99Å; L136-V167 HydrophobicContact CG-CB 4.26Å; L136-V167 HydrophobicContact CG-CG1 3.93Å
137	S	97.7	Very high	95.2	Very high	13 Å²	13	54.9 Å²	54.9	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-45.1	176.2	163.7	0	0	0	0	111.8	A133 K134 L135 L140 H141 G171	A133-S137 VanDerWaalsContact O-CB 3.24Å; A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.34Å; K134-S137 PolarHBondContact O-N 3.42Å; L135-S137 PolarHBondContact O-N 2.82Å; S137-L140 PolarHBondContact O-N 3.44Å; S137-H141 WeakPolarHBondContact O-CB 3.4Å; S137-H141 PolarHBondContact O-N 3.02Å; S137-G171 WeakPolarHBondContact CB-O 3.37Å; S137-G171 PolarHBondContact OG-O 3.49Å
138	C	97.4	Very high	95	Very high	66 Å²	66	55.3 Å²	55.3	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-36.5	177.1	-75.3	0	0	0	0	113.1	K134 L135 L136 P142	K134-C138 VanDerWaalsContact CE-SG 3.59Å; K134-C138 WeakPolarHBondContact O-CB 3.29Å; K134-C138 PolarHBondContact O-N 2.9Å; K134-C138 PolarHBondContact O-SG 3.47Å; K134-C138 VanDerWaalsContact O-SG 3.38Å; L135-C138 PolarHBondContact O-N 3.4Å; L136-C138 VanDerWaalsContact C-N 3.3Å; L136-C138 PolarHBondContact O-N 3.23Å; C138-P142 WeakPolarHBondContact O-CD 3.46Å
139	M	96.8	Very high	94.8	Very high	41 Å²	41	54.8 Å²	54.8	20%	0.202	31%	0.307	C	S	.	.	H	α-helix	trans	-72.2	-33.1	177.4	-66.1	-174.4	-59.9	0	0	112.7	W108 I111 L112 E115 L135 L136 P142	W108-M139 HydrophobicContact CH2-CB 4.22Å; W108-M139 WeakPolarHBondContact CH2-O 3.32Å; W108-M139 HydrophobicContact CZ3-CB 3.73Å; I111-M139 HydrophobicContact CG2-CE 4.19Å; I111-M139 HydrophobicContact CG2-SD 3.91Å; L112-M139 HydrophobicContact CD1-CE 4.15Å; E115-M139 HydrophobicContact CG-SD 4.06Å; L135-M139 HydrophobicContact CD1-CG 4.43Å; L135-M139 HydrophobicContact CD1-SD 4.37Å; L135-M139 HydrophobicContact CG-CE 4.03Å; L135-M139 HydrophobicContact CG-SD 4.35Å; L135-M139 WeakPolarHBondContact O-CG 3.49Å; L135-M139 PolarHBondContact O-N 2.86Å; L136-M139 HydrophobicContact CD1-CE 4.25Å; L136-M139 PolarHBondContact O-N 2.92Å; L136-M139 VanDerWaalsContact O-N 3.13Å; M139-P142 WeakPolarHBondContact O-CD 3.36Å
140	L	96.3	Very high	94.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-80.9	-29.2	178.8	-75.9	170.6	0	0	0	113.2	W108 L136 S137 P142 F143 V150 V167 C168	W108-L140 HydrophobicContact CD2-CD2 3.56Å; W108-L140 HydrophobicContact CD2-CG 4.39Å; W108-L140 HydrophobicContact CE3-CD2 4.01Å; W108-L140 HydrophobicContact CE3-CG 4.39Å; W108-L140 HydrophobicContact CG-CD2 4.05Å; W108-L140 HydrophobicContact CH2-CD2 4.03Å; W108-L140 HydrophobicContact CZ2-CD2 3.58Å; W108-L140 HydrophobicContact CZ3-CD2 4.24Å; W108-L140 HydrophobicContact CZ3-CG 4.47Å; L136-L140 HydrophobicContact CD1-CD1 3.8Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CD2-CD1 4.4Å; L136-L140 HydrophobicContact CG-CD1 3.79Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 PolarHBondContact O-N 3.21Å; S137-L140 PolarHBondContact O-N 3.44Å; L140-P142 VanDerWaalsContact C-N 3.33Å; L140-P142 VanDerWaalsContact O-N 3.16Å; L140-F143 WeakPolarHBondContact O-CA 3.29Å; L140-F143 WeakPolarHBondContact O-CB 3.37Å; L140-F143 PolarHBondContact O-N 2.96Å; L140-V150 HydrophobicContact CD1-CG1 4.21Å; L140-V150 HydrophobicContact CD2-CG1 3.62Å; L140-V167 HydrophobicContact CD1-CG1 3.93Å; L140-C168 WeakPolarHBondContact CD1-O 3.35Å
141	H	95.8	Very high	94.6	Very high	112 Å²	112	50.6 Å²	50.6	52%	0.519	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-51.5	-39.7	-175.5	-168.9	59.8	0	0	0	115.5	S137 F143 K144 D170	S137-H141 WeakPolarHBondContact O-CB 3.4Å; S137-H141 PolarHBondContact O-N 3.02Å; H141-F143 PolarHBondContact O-N 3.43Å; H141-K144 VanDerWaalsContact O-CB 3.25Å; H141-K144 WeakPolarHBondContact O-CB 3.43Å; H141-K144 PolarHBondContact O-N 2.83Å; H141-K144 VanDerWaalsContact O-N 3.13Å; H141-D170 PolarHBondContact ND1-O 2.88Å
142	P	95.8	Very high	94.7	Very high	99 Å²	99	49 Å²	49	64%	0.643	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20	175.6	-23.6	35.6	0	0	0	114.6	C138 M139 L140 K144	C138-P142 WeakPolarHBondContact O-CD 3.46Å; M139-P142 WeakPolarHBondContact O-CD 3.36Å; L140-P142 VanDerWaalsContact C-N 3.33Å; L140-P142 VanDerWaalsContact O-N 3.16Å; P142-K144 VanDerWaalsContact C-N 3.34Å
143	F	92.9	Very high	94.7	Very high	84 Å²	84	49.1 Å²	49.1	37%	0.368	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-91.4	3.7	179.4	-60.7	-87.1	0	0	0	112.9	W108 L140 H141 G145 T146 V148	W108-F143 AromaticContact CH2-CD2 3.92Å; W108-F143 HydrophobicContact CH2-CD2 3.92Å; W108-F143 AromaticContact CH2-CE2 3.53Å; W108-F143 HydrophobicContact CH2-CE2 3.53Å; W108-F143 HydrophobicContact CH2-CZ 4.31Å; W108-F143 AromaticContact CZ2-CD2 3.6Å; W108-F143 HydrophobicContact CZ2-CD2 3.6Å; W108-F143 AromaticContact CZ2-CE2 3.45Å; W108-F143 HydrophobicContact CZ2-CE2 3.45Å; W108-F143 VanDerWaalsContact CZ2-CE2 3.45Å; W108-F143 HydrophobicContact CZ2-CG 4.3Å; W108-F143 HydrophobicContact CZ2-CZ 4.02Å; L140-F143 WeakPolarHBondContact O-CA 3.29Å; L140-F143 WeakPolarHBondContact O-CB 3.37Å; L140-F143 PolarHBondContact O-N 2.96Å; H141-F143 PolarHBondContact O-N 3.43Å; F143-G145 PolarHBondContact O-N 2.85Å; F143-T146 WeakPolarHBondContact O-CB 3.27Å; F143-T146 WeakPolarHBondContact O-CG2 3.5Å; F143-T146 PolarHBondContact O-N 3.04Å; F143-T146 PolarHBondContact O-OG1 2.96Å; F143-V148 HydrophobicContact CB-CB 4.45Å; F143-V148 HydrophobicContact CB-CG2 4.23Å; F143-V148 HydrophobicContact CD1-CG2 4Å; F143-V148 HydrophobicContact CG-CG2 4.38Å
144	K	92.4	Very high	94.8	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.557	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	126.5	175.5	178.5	170.6	-177.3	175.5	0	111	H141 P142 T146 D170	H141-K144 VanDerWaalsContact O-CB 3.25Å; H141-K144 WeakPolarHBondContact O-CB 3.43Å; H141-K144 PolarHBondContact O-N 2.83Å; H141-K144 VanDerWaalsContact O-N 3.13Å; P142-K144 VanDerWaalsContact C-N 3.34Å; K144-T146 VanDerWaalsContact C-N 3.34Å; K144-D170 HydrophobicContact CB-CB 4.26Å; K144-D170 HydrophobicContact CD-CB 4.15Å; K144-D170 HydrophobicContact CG-CB 3.89Å
145	G	88.6	Confident	94.8	Very high	85 Å²	85	43.7 Å²	43.7	88%	0.876	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	6.8	-178.9	0	0	0	0	0	114.6	F143	F143-G145 PolarHBondContact O-N 2.85Å
146	T	91.6	Very high	94.8	Very high	71 Å²	71	41.1 Å²	41.1	44%	0.436	24%	0.244	S	C	.	.	S	Bend	trans	-95.4	174.3	168.9	71.4	0	0	0	0	111.2	F143 K144 V148	F143-T146 WeakPolarHBondContact O-CB 3.27Å; F143-T146 WeakPolarHBondContact O-CG2 3.5Å; F143-T146 PolarHBondContact O-N 3.04Å; F143-T146 PolarHBondContact O-OG1 2.96Å; K144-T146 VanDerWaalsContact C-N 3.34Å; T146-V148 PolarHBondContact O-N 3.43Å; T146-V148 WeakPolarHBondContact OG1-CG2 3.21Å
147	D	88.5	Confident	94.7	Very high	81 Å²	81	44.3 Å²	44.3	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	-81	17.2	179.3	-55.9	-36.8	0	0	0	114.1	R46 C149	R46-D147 PolarHBondContact NH2-O 3.36Å; D147-C149 PolarHBondContact O-N 3.44Å
148	V	90.6	Very high	94.5	Very high	27 Å²	27	44.9 Å²	44.9	16%	0.164	26%	0.257	C	S	.	.			trans	-70.7	120	174.7	173	0	0	0	0	108.8	F143 T146 V150 S169	F143-V148 HydrophobicContact CB-CB 4.45Å; F143-V148 HydrophobicContact CB-CG2 4.23Å; F143-V148 HydrophobicContact CD1-CG2 4Å; F143-V148 HydrophobicContact CG-CG2 4.38Å; T146-V148 PolarHBondContact O-N 3.43Å; T146-V148 WeakPolarHBondContact OG1-CG2 3.21Å; V148-V150 HydrophobicContact CG1-CG1 3.89Å; V148-S169 WeakPolarHBondContact O-CB 3.18Å; V148-S169 PolarHBondContact O-OG 3.21Å
149	C	91.1	Very high	94.1	Very high	42 Å²	42	50.3 Å²	50.3	28%	0.284	28%	0.282	S	S	.	.			trans	-115.2	92.7	-179.4	-173.5	0	0	0	0	110	H52 S101 D104 D147	H52-C149 PolarHBondContact CE1-SG 3.33Å; S101-C149 PolarHBondContact N-O 3.42Å; D104-C149 PolarHBondContact OD2-N 3.4Å; D147-C149 PolarHBondContact O-N 3.44Å
150	V	93.8	Very high	93.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.1	178.2	66	0	0	0	0	110.3	S99 D104 W108 L140 V148 L152 S169	S99-V150 CarbonylContact O-C 3.45Å; D104-V150 HydrophobicContact CB-CB 4.37Å; W108-V150 HydrophobicContact CB-CG2 4.19Å; W108-V150 HydrophobicContact CG-CG1 4.3Å; W108-V150 HydrophobicContact CG-CG2 4.49Å; L140-V150 HydrophobicContact CD1-CG1 4.21Å; L140-V150 HydrophobicContact CD2-CG1 3.62Å; V148-V150 HydrophobicContact CG1-CG1 3.89Å; V150-L152 HydrophobicContact CG2-CD2 3.94Å; V150-L152 HydrophobicContact CG2-CG 3.92Å; V150-S169 WeakPolarHBondContact O-CA 3.4Å; V150-S169 WeakPolarHBondContact O-CB 3.31Å; V150-S169 PolarHBondContact O-N 3.17Å
151	A	94.5	Very high	93.6	Very high	9 Å²	9	51.9 Å²	51.9	7%	0.074	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	120.4	171.3	0	0	0	0	0	107.2	S99 Y166 V167 V181	S99-A151 PolarHBondContact N-O 3.13Å; S99-A151 WeakPolarHBondContact O-CB 3.47Å; S99-A151 PolarHBondContact O-N 2.92Å; A151-Y166 HydrophobicContact CB-CE2 3.64Å; A151-V167 WeakPolarHBondContact CA-O 3.26Å; A151-V181 HydrophobicContact CB-CG1 3.89Å
152	L	97.5	Very high	93.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	178.1	-59.5	-175.1	0	0	0	109.2	V96 T97 W108 E109 L112 L136 V150 V167	V96-L152 HydrophobicContact CG1-CB 3.79Å; V96-L152 HydrophobicContact CG1-CD1 4.22Å; V96-L152 HydrophobicContact CG1-CD2 3.97Å; V96-L152 HydrophobicContact CG1-CG 4.19Å; T97-L152 CarbonylContact O-C 3.57Å; T97-L152 WeakPolarHBondContact O-CA 3.39Å; W108-L152 HydrophobicContact CB-CD1 4.43Å; E109-L152 HydrophobicContact CG-CD1 4.22Å; E109-L152 HydrophobicContact CG-CD2 3.96Å; L112-L152 HydrophobicContact CD2-CD1 4.39Å; L136-L152 HydrophobicContact CD1-CD1 4.11Å; L136-L152 HydrophobicContact CD2-CB 3.81Å; L136-L152 HydrophobicContact CD2-CD1 3.71Å; L136-L152 HydrophobicContact CD2-CG 4.19Å; V150-L152 HydrophobicContact CG2-CD2 3.94Å; V150-L152 HydrophobicContact CG2-CG 3.92Å; L152-V167 PolarHBondContact N-O 2.91Å; L152-V167 PolarHBondContact O-N 3.27Å
153	T	98.1	Very high	93.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.4	172.1	-52	0	0	0	0	108.7	V96 T97 V164 I179	V96-T153 CarbonylContact C-O 3.59Å; V96-T153 WeakPolarHBondContact CA-O 3.28Å; T97-T153 PolarHBondContact N-O 3.46Å; T97-T153 PolarHBondContact O-N 3.18Å; T97-T153 WeakPolarHBondContact OG1-CB 3.24Å; T153-V164 HydrophobicContact CG2-CG1 3.62Å; T153-I179 HydrophobicContact CG2-CB 4.12Å; T153-I179 HydrophobicContact CG2-CD1 4.48Å; T153-I179 HydrophobicContact CG2-CG2 3.99Å
154	L	98.3	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.8	177	-67.6	86.9	0	0	0	108.8	L94 V96 I129 A133 L136 V164 I165 V167	L94-L154 HydrophobicContact CD1-CB 3.99Å; L94-L154 HydrophobicContact CD1-CD2 4.39Å; L94-L154 HydrophobicContact CD2-CD2 4.46Å; V96-L154 HydrophobicContact CG2-CG 4.08Å; I129-L154 HydrophobicContact CG2-CB 4.18Å; A133-L154 HydrophobicContact CB-CD1 4.18Å; A133-L154 HydrophobicContact CB-CD2 4.1Å; L136-L154 HydrophobicContact CD2-CD1 4.09Å; L154-V164 WeakPolarHBondContact O-CA 3.25Å; L154-I165 PolarHBondContact N-O 2.82Å; L154-I165 PolarHBondContact O-N 2.93Å; L154-V167 HydrophobicContact CD1-CG2 3.93Å
155	C	98.2	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.7	178.4	-65.5	0	0	0	0	109	V65 A67 V95 I232	V65-C155 HydrophobicContact CG1-CB 3.8Å; A67-C155 HydrophobicContact CB-CB 4.04Å; V95-C155 HydrophobicContact CG2-CB 3.83Å; V95-C155 PolarHBondContact N-O 3.2Å; V95-C155 PolarHBondContact O-N 2.94Å; V95-C155 VanDerWaalsContact O-O 3.06Å; C155-I232 HydrophobicContact CB-CD1 4.43Å
156	G	97.1	Very high	94.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	178.4	179.5	0	0	0	0	0	115.7	H93 I129 R163	H93-G156 CarbonylContact O-C 3.54Å; H93-G156 WeakPolarHBondContact O-CA 3.31Å; I129-G156 VanDerWaalsContact CD1-CA 3.5Å; I129-G156 WeakPolarHBondContact CD1-O 3.38Å; G156-R163 PolarHBondContact N-O 3.3Å; G156-R163 PolarHBondContact O-N 2.81Å
157	W	96.2	Very high	95	Very high	67 Å²	67	29.4 Å²	29.4	25%	0.254	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.5	176	-170	-78.1	0	0	0	110.7	H93 P162 I232 D233 A234	H93-W157 WeakPolarHBondContact CB-O 3.49Å; H93-W157 PolarHBondContact O-N 3.4Å; W157-P162 HydrophobicContact CE3-CB 3.73Å; W157-P162 HydrophobicContact CE3-CG 4.16Å; W157-P162 HydrophobicContact CZ3-CB 3.88Å; W157-P162 HydrophobicContact CZ3-CG 3.81Å; W157-I232 HydrophobicContact CB-CG2 4.18Å; W157-D233 VanDerWaalsContact CB-O 3.27Å; W157-D233 WeakPolarHBondContact CB-O 3.22Å; W157-A234 HydrophobicContact CZ2-CB 4.26Å
158	E	92.7	Very high	95.3	Very high	24 Å²	24	27 Å²	27	11%	0.112	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	175.1	172.8	63	179.3	-157.9	0	0	110.5	S128 I129 R130 S160 G161 R163	S128-E158 WeakPolarHBondContact CB-OE2 3.48Å; I129-E158 HydrophobicContact CD1-CB 4.05Å; I129-E158 HydrophobicContact CD1-CG 4.2Å; I129-E158 HydrophobicContact CG1-CB 4.39Å; I129-E158 PolarHBondContact N-OE2 3.18Å; R130-E158 IonicContact CZ-OE1 3.52Å; R130-E158 IonicContact NH1-OE1 3.97Å; R130-E158 PolarHBondContact NH1-OE1 2.89Å; E158-S160 PolarHBondContact O-N 3.41Å; E158-S160 PolarHBondContact OE1-OG 3.26Å; E158-G161 PolarHBondContact N-O 3.14Å; E158-G161 VanDerWaalsContact N-O 3.15Å; E158-G161 WeakPolarHBondContact O-CA 3.24Å; E158-G161 PolarHBondContact O-N 3.14Å; E158-R163 HydrophobicContact CG-CG 4.15Å; E158-R163 IonicContact OE1-NE 2.78Å
159	N	88.8	Confident	95.5	Very high	181 Å²	181	27.1 Å²	27.1	97%	0.968	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.7	-177.8	-63.9	-3.2	0	0	0	113.7	G161	N159-G161 VanDerWaalsContact C-N 3.26Å; N159-G161 PolarHBondContact O-N 3.28Å
160	S	90.4	Very high	95.5	Very high	62 Å²	62	27.7 Å²	27.7	43%	0.434	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.6	177	77.9	0	0	0	0	114	R130 E158 R163	R130-S160 PolarHBondContact NH1-OG 2.91Å; E158-S160 PolarHBondContact O-N 3.41Å; E158-S160 PolarHBondContact OE1-OG 3.26Å; S160-R163 PolarHBondContact O-NH2 3.46Å; S160-R163 PolarHBondContact OG-NH2 2.87Å
161	G	93.7	Very high	95.5	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106	-170.2	-178.3	0	0	0	0	0	113.9	E158 N159	E158-G161 PolarHBondContact N-O 3.14Å; E158-G161 VanDerWaalsContact N-O 3.15Å; E158-G161 WeakPolarHBondContact O-CA 3.24Å; E158-G161 PolarHBondContact O-N 3.14Å; N159-G161 VanDerWaalsContact C-N 3.26Å; N159-G161 PolarHBondContact O-N 3.28Å
162	P	96.6	Very high	95.5	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	146.7	-178.7	27.4	-33	0	0	0	111.8	I60 V65 W157	I60-P162 HydrophobicContact CD1-CB 4.37Å; I60-P162 HydrophobicContact CG1-CB 4.42Å; I60-P162 HydrophobicContact CG2-CB 3.66Å; I60-P162 HydrophobicContact CG2-CG 3.34Å; V65-P162 HydrophobicContact CG2-CB 3.38Å; W157-P162 HydrophobicContact CE3-CB 3.73Å; W157-P162 HydrophobicContact CE3-CG 4.16Å; W157-P162 HydrophobicContact CZ3-CB 3.88Å; W157-P162 HydrophobicContact CZ3-CG 3.81Å
163	R	96.8	Very high	95.4	Very high	43 Å²	43	34.9 Å²	34.9	16%	0.162	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.8	178.4	-60.6	-65.8	172.4	-118.1	3	110.9	I129 R130 G156 E158 S160	I129-R163 HydrophobicContact CB-CB 4.46Å; I129-R163 HydrophobicContact CD1-CB 4.16Å; I129-R163 HydrophobicContact CG2-CB 4.17Å; R130-R163 VanDerWaalsContact NH2-NH2 3.11Å; G156-R163 PolarHBondContact N-O 3.3Å; G156-R163 PolarHBondContact O-N 2.81Å; E158-R163 HydrophobicContact CG-CG 4.15Å; E158-R163 IonicContact OE1-NE 2.78Å; S160-R163 PolarHBondContact O-NH2 3.46Å; S160-R163 PolarHBondContact OG-NH2 2.87Å
164	V	97.9	Very high	95.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.5	166.8	-178.1	0	0	0	0	107.7	I60 V65 T153 L154 G176 I179	I60-V164 HydrophobicContact CD1-CG2 4.28Å; I60-V164 HydrophobicContact CG1-CB 4.48Å; I60-V164 HydrophobicContact CG1-CG2 3.71Å; V65-V164 HydrophobicContact CG1-CG2 3.54Å; V65-V164 HydrophobicContact CG2-CG2 4.46Å; T153-V164 HydrophobicContact CG2-CG1 3.62Å; L154-V164 WeakPolarHBondContact O-CA 3.25Å; V164-G176 PolarHBondContact O-N 3.2Å; V164-I179 HydrophobicContact CG1-CB 3.89Å; V164-I179 HydrophobicContact CG1-CD1 3.8Å; V164-I179 HydrophobicContact CG1-CG1 3.75Å
165	I	98.3	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.8	-176.8	-51.8	178.6	0	0	0	109.7	I129 R130 A133 L154 R173 L174 Q175	I129-I165 HydrophobicContact CG2-CD1 4.21Å; R130-I165 HydrophobicContact CB-CD1 4.44Å; R130-I165 HydrophobicContact CG-CD1 3.94Å; A133-I165 HydrophobicContact CB-CB 4.08Å; A133-I165 HydrophobicContact CB-CD1 4.04Å; A133-I165 HydrophobicContact CB-CG2 3.58Å; L154-I165 PolarHBondContact N-O 2.82Å; L154-I165 PolarHBondContact O-N 2.93Å; I165-R173 HydrophobicContact CG2-CG 3.5Å; I165-R173 VanDerWaalsContact CG2-CG 3.5Å; I165-L174 CarbonylContact C-O 3.37Å; I165-L174 WeakPolarHBondContact CA-O 3.33Å; I165-Q175 HydrophobicContact CG1-CB 4.39Å; I165-Q175 HydrophobicContact CG1-CG 4.22Å
166	Y	97.9	Very high	95.1	Very high	50 Å²	50	45.1 Å²	45.1	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.4	172.9	172.1	-107.6	0	0	0	111.3	A151 C168 R173 L174 I179 V181	A151-Y166 HydrophobicContact CB-CE2 3.64Å; Y166-C168 HydrophobicContact CE1-CB 3.64Å; Y166-C168 WeakPolarHBondContact OH-CB 3.41Å; Y166-C168 PolarHBondContact OH-SG 2.96Å; Y166-C168 VanDerWaalsContact OH-SG 3.4Å; Y166-R173 CarbonylContact O-C 3.57Å; Y166-R173 VanDerWaalsContact O-CA 3.3Å; Y166-R173 WeakPolarHBondContact O-CA 3.48Å; Y166-L174 HydrophobicContact CD1-CB 4.13Å; Y166-L174 PolarHBondContact N-O 3.07Å; Y166-L174 PolarHBondContact O-N 2.81Å; Y166-I179 HydrophobicContact CD2-CG2 4.38Å; Y166-I179 HydrophobicContact CG-CG2 4.43Å; Y166-V181 HydrophobicContact CD2-CG2 3.68Å; Y166-V181 HydrophobicContact CE2-CG1 3.91Å; Y166-V181 HydrophobicContact CE2-CG2 3.73Å
167	V	97.9	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.7	169.4	-173	0	0	0	0	110	A133 L136 L140 A151 L152 L154 A172 R173	A133-V167 HydrophobicContact CB-CG2 4.05Å; L136-V167 HydrophobicContact CB-CG1 4.46Å; L136-V167 HydrophobicContact CD2-CB 3.69Å; L136-V167 HydrophobicContact CD2-CG1 3.92Å; L136-V167 HydrophobicContact CD2-CG2 3.99Å; L136-V167 HydrophobicContact CG-CB 4.26Å; L136-V167 HydrophobicContact CG-CG1 3.93Å; L140-V167 HydrophobicContact CD1-CG1 3.93Å; A151-V167 WeakPolarHBondContact CA-O 3.26Å; L152-V167 PolarHBondContact N-O 2.91Å; L152-V167 PolarHBondContact O-N 3.27Å; L154-V167 HydrophobicContact CD1-CG2 3.93Å; V167-A172 WeakPolarHBondContact CA-O 3.49Å; V167-R173 HydrophobicContact CG2-CG 4.21Å
168	C	95.1	Very high	95	Very high	30 Å²	30	49.5 Å²	49.5	20%	0.203	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	165.6	179.4	-169.3	0	0	0	0	111.9	L140 Y166 D170 G171 A172	L140-C168 WeakPolarHBondContact CD1-O 3.35Å; Y166-C168 HydrophobicContact CE1-CB 3.64Å; Y166-C168 WeakPolarHBondContact OH-CB 3.41Å; Y166-C168 PolarHBondContact OH-SG 2.96Å; Y166-C168 VanDerWaalsContact OH-SG 3.4Å; C168-D170 VanDerWaalsContact CB-OD1 3.26Å; C168-D170 WeakPolarHBondContact CB-OD1 3.39Å; C168-D170 PolarHBondContact O-N 3.43Å; C168-G171 WeakPolarHBondContact O-CA 3.49Å; C168-G171 PolarHBondContact O-N 2.83Å; C168-A172 HydrophobicContact CB-CB 4.34Å; C168-A172 PolarHBondContact N-O 2.93Å
169	S	93.8	Very high	95.3	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	179.5	57.7	0	0	0	0	114.5	V148 V150 G171	V148-S169 WeakPolarHBondContact O-CB 3.18Å; V148-S169 PolarHBondContact O-OG 3.21Å; V150-S169 WeakPolarHBondContact O-CA 3.4Å; V150-S169 WeakPolarHBondContact O-CB 3.31Å; V150-S169 PolarHBondContact O-N 3.17Å; S169-G171 PolarHBondContact O-N 2.77Å
170	D	92.6	Very high	95.7	Very high	53 Å²	53	40.4 Å²	40.4	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.6	173.3	71.2	-17.4	0	0	0	113.6	H141 K144 C168 A172	H141-D170 PolarHBondContact ND1-O 2.88Å; K144-D170 HydrophobicContact CB-CB 4.26Å; K144-D170 HydrophobicContact CD-CB 4.15Å; K144-D170 HydrophobicContact CG-CB 3.89Å; C168-D170 VanDerWaalsContact CB-OD1 3.26Å; C168-D170 WeakPolarHBondContact CB-OD1 3.39Å; C168-D170 PolarHBondContact O-N 3.43Å; D170-A172 VanDerWaalsContact C-N 3.3Å; D170-A172 WeakPolarHBondContact OD1-CB 3.22Å; D170-A172 PolarHBondContact OD1-N 3.37Å
171	G	92.7	Very high	95.9	Very high	6 Å²	6	38.3 Å²	38.3	6%	0.062	21%	0.207	C	C	.	.			trans	80.6	5	-174.7	0	0	0	0	0	113.8	S137 C168 S169	S137-G171 WeakPolarHBondContact CB-O 3.37Å; S137-G171 PolarHBondContact OG-O 3.49Å; C168-G171 WeakPolarHBondContact O-CA 3.49Å; C168-G171 PolarHBondContact O-N 2.83Å; S169-G171 PolarHBondContact O-N 2.77Å
172	A	94.6	Very high	95.8	Very high	45 Å²	45	38.7 Å²	38.7	37%	0.372	21%	0.212	S	C	.	.			trans	-62.9	138.7	173	0	0	0	0	0	110.1	V167 C168 D170	V167-A172 WeakPolarHBondContact CA-O 3.49Å; C168-A172 HydrophobicContact CB-CB 4.34Å; C168-A172 PolarHBondContact N-O 2.93Å; D170-A172 VanDerWaalsContact C-N 3.3Å; D170-A172 WeakPolarHBondContact OD1-CB 3.22Å; D170-A172 PolarHBondContact OD1-N 3.37Å
173	R	96.1	Very high	95.6	Very high	114 Å²	114	40.1 Å²	40.1	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.3	-178.1	-176.1	-179.5	65.6	81.6	3.8	109.6	A133 I165 Y166 V167	A133-R173 HydrophobicContact CB-CG 4.46Å; I165-R173 HydrophobicContact CG2-CG 3.5Å; I165-R173 VanDerWaalsContact CG2-CG 3.5Å; Y166-R173 CarbonylContact O-C 3.57Å; Y166-R173 VanDerWaalsContact O-CA 3.3Å; Y166-R173 WeakPolarHBondContact O-CA 3.48Å; V167-R173 HydrophobicContact CG2-CG 4.21Å
174	L	96.6	Very high	95.4	Very high	110 Å²	110	38.1 Å²	38.1	58%	0.576	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.9	177.5	-176.3	67.9	0	0	0	109.3	I165 Y166	I165-L174 CarbonylContact C-O 3.37Å; I165-L174 WeakPolarHBondContact CA-O 3.33Å; Y166-L174 HydrophobicContact CD1-CB 4.13Å; Y166-L174 PolarHBondContact N-O 3.07Å; Y166-L174 PolarHBondContact O-N 2.81Å
175	Q	96.4	Very high	95.3	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.6	170.5	-179.3	178.7	-23	0	0	107.8	I165	I165-Q175 HydrophobicContact CG1-CB 4.39Å; I165-Q175 HydrophobicContact CG1-CG 4.22Å
176	G	94.5	Very high	95.1	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.4	178	0	0	0	0	0	111.2	V164 I178	V164-G176 PolarHBondContact O-N 3.2Å; G176-I178 VanDerWaalsContact C-N 3.34Å
177	D	95.5	Very high	95	Very high	114 Å²	114	45.6 Å²	45.6	61%	0.61	26%	0.257	S	S	*	.	S	Bend	trans	-82.8	-20.7	174.6	-59.8	-32.8	0	0	0	111.6	F59 I60	F59-D177 CarbonylContact C-O 3.55Å; F59-D177 WeakPolarHBondContact CA-O 3.36Å; I60-D177 PolarHBondContact N-O 3.2Å
178	I	97	Very high	94.9	Very high	45 Å²	45	45.6 Å²	45.6	23%	0.231	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.9	177.1	-46.3	174.5	0	0	0	107.4	F59 G176 Y189 L192 L196	F59-I178 HydrophobicContact CB-CB 4.38Å; F59-I178 HydrophobicContact CB-CG1 4.21Å; F59-I178 HydrophobicContact CB-CG2 4.2Å; G176-I178 VanDerWaalsContact C-N 3.34Å; I178-Y189 HydrophobicContact CG2-CD1 4.37Å; I178-Y189 HydrophobicContact CG2-CE1 3.93Å; I178-L192 HydrophobicContact CG2-CB 4.47Å; I178-L192 HydrophobicContact CG2-CD1 3.86Å; I178-L196 HydrophobicContact CD1-CB 4.43Å; I178-L196 HydrophobicContact CD1-CD2 3.19Å; I178-L196 HydrophobicContact CD1-CG 4.4Å; I178-L196 HydrophobicContact CG1-CD2 3.29Å
179	I	97.8	Very high	95	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	117.7	172.4	-57.6	-169.8	0	0	0	107.8	L57 G58 T153 V164 Y166 V181	L57-I179 CarbonylContact C-O 3.49Å; L57-I179 VanDerWaalsContact CA-O 3.29Å; L57-I179 WeakPolarHBondContact CA-O 3.31Å; G58-I179 PolarHBondContact N-O 3.43Å; G58-I179 PolarHBondContact O-N 3.46Å; T153-I179 HydrophobicContact CG2-CB 4.12Å; T153-I179 HydrophobicContact CG2-CD1 4.48Å; T153-I179 HydrophobicContact CG2-CG2 3.99Å; V164-I179 HydrophobicContact CG1-CB 3.89Å; V164-I179 HydrophobicContact CG1-CD1 3.8Å; V164-I179 HydrophobicContact CG1-CG1 3.75Å; Y166-I179 HydrophobicContact CD2-CG2 4.38Å; Y166-I179 HydrophobicContact CG-CG2 4.43Å; I179-V181 HydrophobicContact CG2-CG2 3.69Å
180	S	96.8	Very high	95.1	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136	165.9	-175.8	0	0	0	0	109.6	T56 S185 Y189	T56-S180 CarbonylContact O-C 3.24Å; T56-S180 VanDerWaalsContact O-CA 3.31Å; T56-S180 WeakPolarHBondContact O-CA 3.3Å; T56-S180 PolarHBondContact O-OG 2.92Å; S180-S185 WeakPolarHBondContact OG-CA 3.37Å; S180-S185 WeakPolarHBondContact OG-CB 3.35Å; S180-Y189 VanDerWaalsContact N-CZ 3.31Å; S180-Y189 PolarHBondContact N-OH 2.94Å; S180-Y189 WeakPolarHBondContact O-CE2 3.47Å; S180-Y189 PolarHBondContact O-OH 3.25Å
181	V	94.9	Very high	95.3	Very high	18 Å²	18	47.8 Å²	47.8	11%	0.109	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.3	-174.3	-168.9	0	0	0	0	110.2	T56 A151 Y166 I179	T56-V181 PolarHBondContact N-O 2.87Å; T56-V181 PolarHBondContact O-N 3.38Å; T56-V181 PolarHBondContact OG1-O 3.29Å; A151-V181 HydrophobicContact CB-CG1 3.89Å; Y166-V181 HydrophobicContact CD2-CG2 3.68Å; Y166-V181 HydrophobicContact CE2-CG1 3.91Å; Y166-V181 HydrophobicContact CE2-CG2 3.73Å; I179-V181 HydrophobicContact CG2-CG2 3.69Å
182	G	91.8	Very high	95.5	Very high	21 Å²	21	47.5 Å²	47.5	22%	0.216	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.7	-174.7	175.8	0	0	0	0	0	112.3	T54 G184 S185	T54-G182 CarbonylContact O-C 3.6Å; T54-G182 WeakPolarHBondContact O-CA 3.32Å; G182-G184 PolarHBondContact O-N 3.41Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.48Å; G182-S185 PolarHBondContact O-N 3.25Å; G182-S185 PolarHBondContact O-OG 2.95Å
183	S	92.6	Very high	95.5	Very high	44 Å²	44	51 Å²	51	31%	0.308	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.4	-174.1	48	0	0	0	0	113.6	G53 T54 S185 P186 D220	G53-S183 VanDerWaalsContact CA-OG 3.24Å; G53-S183 WeakPolarHBondContact CA-OG 3.29Å; T54-S183 PolarHBondContact N-OG 3.3Å; T54-S183 PolarHBondContact O-N 3.25Å; T54-S183 PolarHBondContact O-OG 2.85Å; S183-S185 VanDerWaalsContact C-N 3.34Å; S183-P186 WeakPolarHBondContact O-CD 3.45Å; S183-D220 VanDerWaalsContact CB-OD2 3.3Å; S183-D220 WeakPolarHBondContact CB-OD2 3.4Å; S183-D220 PolarHBondContact OG-OD2 3.31Å
184	G	92.9	Very high	95.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.7	178.2	0	0	0	0	0	114.1	T55 G182 P186 Y187 A188 D220	T55-G184 WeakPolarHBondContact OG1-CA 3.48Å; T55-G184 PolarHBondContact OG1-N 3.09Å; G182-G184 PolarHBondContact O-N 3.41Å; G184-P186 VanDerWaalsContact C-CD 3.42Å; G184-Y187 PolarHBondContact O-N 2.91Å; G184-Y187 VanDerWaalsContact O-N 3.15Å; G184-A188 PolarHBondContact O-N 3.39Å; G184-A188 VanDerWaalsContact O-N 3.11Å; G184-D220 PolarHBondContact N-OD2 3Å; G184-D220 VanDerWaalsContact N-OD2 3.09Å
185	S	94.8	Very high	95.1	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-38.3	178.4	62.4	0	0	0	0	114.8	S180 G182 S183 Y187 A188 Y189	S180-S185 WeakPolarHBondContact OG-CA 3.37Å; S180-S185 WeakPolarHBondContact OG-CB 3.35Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.48Å; G182-S185 PolarHBondContact O-N 3.25Å; G182-S185 PolarHBondContact O-OG 2.95Å; S183-S185 VanDerWaalsContact C-N 3.34Å; S185-Y187 VanDerWaalsContact C-N 3.28Å; S185-Y187 PolarHBondContact O-N 2.91Å; S185-A188 PolarHBondContact O-N 2.9Å; S185-Y189 WeakPolarHBondContact O-CD2 3.46Å; S185-Y189 PolarHBondContact O-N 2.79Å
186	P	94.9	Very high	95	Very high	84 Å²	84	43.4 Å²	43.4	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-35.4	177.6	-22.3	35.8	0	0	0	112.7	S183 G184 G190	S183-P186 WeakPolarHBondContact O-CD 3.45Å; G184-P186 VanDerWaalsContact C-CD 3.42Å; P186-G190 PolarHBondContact O-N 3.24Å
187	Y	95.3	Very high	95	Very high	102 Å²	102	45 Å²	45	40%	0.4	29%	0.288	S	S	.	.	H	α-helix	trans	-72	-40.2	177.5	-53.9	-64	0	0	0	111.5	G184 S185 G190 V191 R219 D220	G184-Y187 PolarHBondContact O-N 2.91Å; G184-Y187 VanDerWaalsContact O-N 3.15Å; S185-Y187 VanDerWaalsContact C-N 3.28Å; S185-Y187 PolarHBondContact O-N 2.91Å; Y187-G190 PolarHBondContact O-N 3.21Å; Y187-V191 PolarHBondContact O-N 3.35Å; Y187-R219 HydrophobicContact CD1-CB 3.61Å; Y187-R219 HydrophobicContact CD1-CG 4.05Å; Y187-R219 HydrophobicContact CD2-CB 3.82Å; Y187-R219 HydrophobicContact CE1-CB 3.57Å; Y187-R219 HydrophobicContact CE1-CG 4.18Å; Y187-R219 HydrophobicContact CE2-CB 3.78Å; Y187-R219 HydrophobicContact CG-CB 3.74Å; Y187-R219 HydrophobicContact CG-CG 4.45Å; Y187-D220 HydrophobicContact CD2-CB 4.1Å; Y187-D220 HydrophobicContact CE2-CB 3.96Å
188	A	96.6	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175.4	0	0	0	0	0	111.6	T55 L57 G184 S185 G190 V191 L192 A212	T55-A188 HydrophobicContact CG2-CB 4.07Å; L57-A188 HydrophobicContact CD2-CB 4.27Å; G184-A188 PolarHBondContact O-N 3.39Å; G184-A188 VanDerWaalsContact O-N 3.11Å; S185-A188 PolarHBondContact O-N 2.9Å; A188-G190 VanDerWaalsContact C-N 3.31Å; A188-G190 PolarHBondContact O-N 3.36Å; A188-V191 PolarHBondContact O-N 3.13Å; A188-L192 VanDerWaalsContact O-CG 3.3Å; A188-L192 WeakPolarHBondContact O-CG 2.99Å; A188-L192 PolarHBondContact O-N 2.78Å; A188-A212 HydrophobicContact CB-CB 4.38Å
189	Y	97.3	Very high	94.9	Very high	73 Å²	73	49 Å²	49	29%	0.286	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-40.8	174.2	-81.2	-63.6	0	0	0	112.1	I178 S180 S185 V191 L192 D193	I178-Y189 HydrophobicContact CG2-CD1 4.37Å; I178-Y189 HydrophobicContact CG2-CE1 3.93Å; S180-Y189 VanDerWaalsContact N-CZ 3.31Å; S180-Y189 PolarHBondContact N-OH 2.94Å; S180-Y189 WeakPolarHBondContact O-CE2 3.47Å; S180-Y189 PolarHBondContact O-OH 3.25Å; S185-Y189 WeakPolarHBondContact O-CD2 3.46Å; S185-Y189 PolarHBondContact O-N 2.79Å; Y189-V191 PolarHBondContact O-N 2.7Å; Y189-V191 VanDerWaalsContact O-N 3.14Å; Y189-L192 PolarHBondContact O-N 3.13Å; Y189-L192 VanDerWaalsContact O-N 3.14Å; Y189-D193 VanDerWaalsContact O-CB 3.31Å; Y189-D193 WeakPolarHBondContact O-CB 3.44Å; Y189-D193 PolarHBondContact O-N 2.72Å
190	G	96.4	Very high	94.8	Very high	56 Å²	56	49.9 Å²	49.9	58%	0.577	31%	0.309	S	S	*	.	H	α-helix	trans	-57.2	-30.9	176.9	0	0	0	0	0	114.4	P186 Y187 A188	P186-G190 PolarHBondContact O-N 3.24Å; Y187-G190 PolarHBondContact O-N 3.21Å; A188-G190 VanDerWaalsContact C-N 3.31Å; A188-G190 PolarHBondContact O-N 3.36Å
191	V	96.4	Very high	94.8	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-82.1	-46.6	173.9	179.5	0	0	0	0	111.1	Y187 A188 Y189 D193 G194 G195 L208 E211 A212 R215	Y187-V191 PolarHBondContact O-N 3.35Å; A188-V191 PolarHBondContact O-N 3.13Å; Y189-V191 PolarHBondContact O-N 2.7Å; Y189-V191 VanDerWaalsContact O-N 3.14Å; V191-D193 PolarHBondContact O-N 3.27Å; V191-G194 PolarHBondContact O-N 2.66Å; V191-G195 PolarHBondContact O-N 3.04Å; V191-G195 VanDerWaalsContact O-N 3.11Å; V191-L208 HydrophobicContact CG1-CD1 3.98Å; V191-E211 HydrophobicContact CG1-CB 4.41Å; V191-E211 HydrophobicContact CG1-CG 3.93Å; V191-A212 HydrophobicContact CB-CB 4.07Å; V191-A212 HydrophobicContact CG1-CB 4.09Å; V191-R215 HydrophobicContact CG2-CB 3.77Å; V191-R215 HydrophobicContact CG2-CG 3.74Å
192	L	96.6	Very high	94.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-40.2	-176.7	-68.5	171	0	0	0	112.2	L57 F59 I178 A188 Y189 G194 G195 L196 L208 A212	L57-L192 HydrophobicContact CB-CD1 4.38Å; L57-L192 HydrophobicContact CD2-CD1 4.34Å; F59-L192 HydrophobicContact CD1-CD2 3.77Å; F59-L192 HydrophobicContact CE1-CD2 3.78Å; I178-L192 HydrophobicContact CG2-CB 4.47Å; I178-L192 HydrophobicContact CG2-CD1 3.86Å; A188-L192 VanDerWaalsContact O-CG 3.3Å; A188-L192 WeakPolarHBondContact O-CG 2.99Å; A188-L192 PolarHBondContact O-N 2.78Å; Y189-L192 PolarHBondContact O-N 3.13Å; Y189-L192 VanDerWaalsContact O-N 3.14Å; L192-G194 PolarHBondContact O-N 2.95Å; L192-G195 PolarHBondContact O-N 3.21Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 PolarHBondContact O-N 3.18Å; L192-L208 HydrophobicContact CD2-CD2 4.24Å; L192-L208 HydrophobicContact CD2-CG 4.15Å; L192-A212 HydrophobicContact CD2-CB 4.15Å; L192-A212 HydrophobicContact CG-CB 4.07Å
193	D	95.4	Very high	95	Very high	117 Å²	117	59.4 Å²	59.4	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-65.2	-27.9	-179.1	-69.5	-13.1	0	0	0	112.3	Y189 V191	Y189-D193 VanDerWaalsContact O-CB 3.31Å; Y189-D193 WeakPolarHBondContact O-CB 3.44Å; Y189-D193 PolarHBondContact O-N 2.72Å; V191-D193 PolarHBondContact O-N 3.27Å
194	G	92.8	Very high	95.2	Very high	75 Å²	75	62.3 Å²	62.3	77%	0.773	36%	0.359	S	S	*	.	H	α-helix	trans	-88.5	-29.5	177.5	0	0	0	0	0	114.4	V191 L192	V191-G194 PolarHBondContact O-N 2.66Å; L192-G194 PolarHBondContact O-N 2.95Å
195	G	90.2	Very high	95.4	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-109.3	-17	-171.1	0	0	0	0	0	115.8	V191 L192 S197	V191-G195 PolarHBondContact O-N 3.04Å; V191-G195 VanDerWaalsContact O-N 3.11Å; L192-G195 PolarHBondContact O-N 3.21Å; G195-S197 PolarHBondContact O-N 3.18Å
196	L	94.3	Very high	95.4	Very high	44 Å²	44	62 Å²	62	23%	0.23	36%	0.355	C	S	.	.			trans	-79.3	125.4	-174.5	-168.8	75	0	0	0	112.1	F59 I178 L192 L200 L208	F59-L196 HydrophobicContact CB-CD1 4.42Å; F59-L196 HydrophobicContact CB-CD2 4.12Å; F59-L196 HydrophobicContact CD2-CD1 3.24Å; F59-L196 HydrophobicContact CD2-CD2 4.36Å; F59-L196 HydrophobicContact CD2-CG 4.47Å; F59-L196 HydrophobicContact CE2-CD1 3.46Å; F59-L196 VanDerWaalsContact CE2-CD1 3.46Å; F59-L196 HydrophobicContact CG-CD1 3.84Å; F59-L196 HydrophobicContact CG-CD2 4.39Å; F59-L196 HydrophobicContact CZ-CD1 4.21Å; I178-L196 HydrophobicContact CD1-CB 4.43Å; I178-L196 HydrophobicContact CD1-CD2 3.19Å; I178-L196 HydrophobicContact CD1-CG 4.4Å; I178-L196 HydrophobicContact CG1-CD2 3.29Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 PolarHBondContact O-N 3.18Å; L196-L200 HydrophobicContact CD1-CD1 3.8Å; L196-L208 HydrophobicContact CB-CD2 4.07Å; L196-L208 HydrophobicContact CD1-CD2 3.88Å
197	S	94.9	Very high	95.4	Very high	54 Å²	54	60.1 Å²	60.1	38%	0.378	34%	0.344	S	S	.	.			trans	-134.5	151.4	169.4	177.5	0	0	0	0	110.3	G195 S199 L200	G195-S197 PolarHBondContact O-N 3.18Å; S197-S199 PolarHBondContact O-N 3.22Å; S197-S199 PolarHBondContact OG-N 2.82Å; S197-S199 PolarHBondContact OG-OG 2.68Å; S197-S199 VanDerWaalsContact OG-OG 3.13Å; S197-L200 WeakPolarHBondContact O-CD1 3.3Å; S197-L200 VanDerWaalsContact O-CG 3.26Å; S197-L200 WeakPolarHBondContact O-CG 3.48Å; S197-L200 PolarHBondContact O-N 3.44Å
198	W	95	Very high	95.5	Very high	158 Å²	158	56.4 Å²	56.4	60%	0.598	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.5	174.1	179.5	-105.2	0	0	0	112	I60 Q62 L200	I60-W198 HydrophobicContact CG2-CH2 4.33Å; I60-W198 HydrophobicContact CG2-CZ3 3.68Å; Q62-W198 HydrophobicContact CB-CZ2 4.38Å; Q62-W198 WeakPolarHBondContact CB-O 3.13Å; Q62-W198 PolarHBondContact N-O 2.98Å; W198-L200 VanDerWaalsContact C-N 3.26Å; W198-L200 PolarHBondContact O-N 3.25Å
199	S	95.8	Very high	95.5	Very high	84 Å²	84	56.4 Å²	56.4	59%	0.587	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	11.5	-174.2	64.4	0	0	0	0	114.8	S197	S197-S199 PolarHBondContact O-N 3.22Å; S197-S199 PolarHBondContact OG-N 2.82Å; S197-S199 PolarHBondContact OG-OG 2.68Å; S197-S199 VanDerWaalsContact OG-OG 3.13Å
200	L	94.8	Very high	95.4	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	33%	0.326	C	S	.	.			trans	-63	139.4	178.9	-73	171	0	0	0	111.2	F61 L196 S197 W198 E204 A205 L208	F61-L200 HydrophobicContact CD2-CB 4.5Å; F61-L200 WeakPolarHBondContact CD2-O 3.37Å; L196-L200 HydrophobicContact CD1-CD1 3.8Å; S197-L200 WeakPolarHBondContact O-CD1 3.3Å; S197-L200 VanDerWaalsContact O-CG 3.26Å; S197-L200 WeakPolarHBondContact O-CG 3.48Å; S197-L200 PolarHBondContact O-N 3.44Å; W198-L200 VanDerWaalsContact C-N 3.26Å; W198-L200 PolarHBondContact O-N 3.25Å; L200-E204 HydrophobicContact CD2-CB 3.91Å; L200-A205 HydrophobicContact CB-CB 4.39Å; L200-L208 HydrophobicContact CD1-CD2 3.91Å
201	S	96.8	Very high	95.3	Very high	47 Å²	47	54.6 Å²	54.6	33%	0.329	31%	0.308	S	S	.	.			trans	-68.2	164.2	164.3	65.5	0	0	0	0	110.8	E203 E204 A205	S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 PolarHBondContact O-N 3.11Å; S201-E204 WeakPolarHBondContact CB-OE2 3.24Å; S201-E204 PolarHBondContact N-OE2 3.34Å; S201-E204 PolarHBondContact O-N 3.15Å; S201-E204 WeakPolarHBondContact OG-CB 3.45Å; S201-E204 WeakPolarHBondContact OG-CG 3.43Å; S201-E204 PolarHBondContact OG-N 3.09Å; S201-E204 PolarHBondContact OG-OE2 3.22Å; S201-A205 WeakPolarHBondContact O-CB 3.28Å; S201-A205 PolarHBondContact O-N 3.37Å
202	K	95.5	Very high	95.4	Very high	68 Å²	68	53.1 Å²	53.1	30%	0.296	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-43	178.3	174	175.1	171.3	161.4	0	111.3	F61 A205 I206 H231	F61-K202 HydrophobicContact CE2-CB 4.41Å; K202-A205 PolarHBondContact O-N 3.38Å; K202-I206 HydrophobicContact CG-CD1 3.9Å; K202-I206 WeakPolarHBondContact O-CD1 3.05Å; K202-I206 VanDerWaalsContact O-CG1 3.23Å; K202-I206 WeakPolarHBondContact O-CG1 3.5Å; K202-I206 PolarHBondContact O-N 3.4Å; K202-H231 WeakPolarHBondContact CE-ND1 3.39Å; K202-H231 PolarHBondContact NZ-ND1 3.14Å
203	E	95.8	Very high	95.3	Very high	131 Å²	131	53.1 Å²	53.1	61%	0.612	30%	0.299	S	S	*	.	H	α-helix	trans	-67.7	-42.6	-178.5	-67.8	65.8	-145.7	0	0	111.3	S201 I206 S207	S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 PolarHBondContact O-N 3.11Å; E203-I206 PolarHBondContact O-N 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.37Å; E203-S207 PolarHBondContact O-N 2.98Å
204	E	96.1	Very high	95.3	Very high	106 Å²	106	48 Å²	48	50%	0.495	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.2	-69.5	163.9	149.7	0	0	111.6	L200 S201 I206 S207 L208	L200-E204 HydrophobicContact CD2-CB 3.91Å; S201-E204 WeakPolarHBondContact CB-OE2 3.24Å; S201-E204 PolarHBondContact N-OE2 3.34Å; S201-E204 PolarHBondContact O-N 3.15Å; S201-E204 WeakPolarHBondContact OG-CB 3.45Å; S201-E204 WeakPolarHBondContact OG-CG 3.43Å; S201-E204 PolarHBondContact OG-N 3.09Å; S201-E204 PolarHBondContact OG-OE2 3.22Å; E204-I206 VanDerWaalsContact C-N 3.35Å; E204-I206 PolarHBondContact O-N 3.43Å; E204-S207 PolarHBondContact O-N 2.92Å; E204-L208 WeakPolarHBondContact O-CB 3.22Å; E204-L208 PolarHBondContact O-N 3.13Å
205	A	96.9	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-42.6	176.1	0	0	0	0	0	111.8	F59 F61 I66 L200 S201 K202 L208 A209	F59-A205 HydrophobicContact CE2-CB 4.09Å; F59-A205 HydrophobicContact CZ-CB 4.34Å; F59-A205 WeakPolarHBondContact CZ-O 3.45Å; F61-A205 HydrophobicContact CD1-CB 4.16Å; F61-A205 HydrophobicContact CD2-CB 3.92Å; F61-A205 HydrophobicContact CE1-CB 4.2Å; F61-A205 HydrophobicContact CE2-CB 3.95Å; F61-A205 HydrophobicContact CG-CB 4.04Å; F61-A205 HydrophobicContact CZ-CB 4.1Å; I66-A205 HydrophobicContact CG1-CB 4.14Å; L200-A205 HydrophobicContact CB-CB 4.39Å; S201-A205 WeakPolarHBondContact O-CB 3.28Å; S201-A205 PolarHBondContact O-N 3.37Å; K202-A205 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 3.37Å; A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.85Å
206	I	96.1	Very high	95.6	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.072	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-45	174.8	-70.3	165.6	0	0	0	110.5	I66 K202 E203 E204 L208 A209 R210 L229	I66-I206 HydrophobicContact CD1-CG1 4.04Å; K202-I206 HydrophobicContact CG-CD1 3.9Å; K202-I206 WeakPolarHBondContact O-CD1 3.05Å; K202-I206 VanDerWaalsContact O-CG1 3.23Å; K202-I206 WeakPolarHBondContact O-CG1 3.5Å; K202-I206 PolarHBondContact O-N 3.4Å; E203-I206 PolarHBondContact O-N 3.27Å; E204-I206 VanDerWaalsContact C-N 3.35Å; E204-I206 PolarHBondContact O-N 3.43Å; I206-L208 PolarHBondContact O-N 2.85Å; I206-A209 PolarHBondContact O-N 2.78Å; I206-R210 WeakPolarHBondContact O-CB 3.13Å; I206-R210 PolarHBondContact O-N 2.67Å; I206-L229 HydrophobicContact CG2-CD1 4.4Å
207	S	95.3	Very high	95.5	Very high	46 Å²	46	47.1 Å²	47.1	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-40.1	179	-162.9	0	0	0	0	112.2	E203 E204 R210 E211	E203-S207 WeakPolarHBondContact O-CB 3.37Å; E203-S207 PolarHBondContact O-N 2.98Å; E204-S207 PolarHBondContact O-N 2.92Å; S207-R210 PolarHBondContact O-N 3.43Å; S207-R210 PolarHBondContact OG-NH1 2.8Å; S207-R210 PolarHBondContact OG-NH2 3.39Å; S207-E211 VanDerWaalsContact O-CB 3.29Å; S207-E211 WeakPolarHBondContact O-CB 3.39Å; S207-E211 PolarHBondContact O-N 2.78Å
208	L	96.6	Very high	95.3	Very high	23 Å²	23	49.9 Å²	49.9	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.2	179.9	65.9	0	0	0	111.6	V191 L192 L196 L200 E204 A205 I206 E211 A212	V191-L208 HydrophobicContact CG1-CD1 3.98Å; L192-L208 HydrophobicContact CD2-CD2 4.24Å; L192-L208 HydrophobicContact CD2-CG 4.15Å; L196-L208 HydrophobicContact CB-CD2 4.07Å; L196-L208 HydrophobicContact CD1-CD2 3.88Å; L200-L208 HydrophobicContact CD1-CD2 3.91Å; E204-L208 WeakPolarHBondContact O-CB 3.22Å; E204-L208 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 3.37Å; I206-L208 PolarHBondContact O-N 2.85Å; L208-E211 PolarHBondContact O-N 2.75Å; L208-A212 WeakPolarHBondContact O-CB 3.2Å; L208-A212 PolarHBondContact O-N 3.22Å
209	A	96.9	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-43.1	177.3	0	0	0	0	0	111.9	L57 F59 I66 A68 A205 I206 A212 V213 L229	L57-A209 HydrophobicContact CD1-CB 4.21Å; F59-A209 HydrophobicContact CE1-CB 3.76Å; F59-A209 HydrophobicContact CZ-CB 4.05Å; I66-A209 HydrophobicContact CG2-CB 3.58Å; A68-A209 HydrophobicContact CB-CB 4.27Å; A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.85Å; I206-A209 PolarHBondContact O-N 2.78Å; A209-A212 PolarHBondContact O-N 3.08Å; A209-V213 WeakPolarHBondContact O-CG2 3.43Å; A209-V213 PolarHBondContact O-N 2.78Å; A209-L229 HydrophobicContact CB-CD2 3.58Å
210	R	95.5	Very high	94.9	Very high	50 Å²	50	47.3 Å²	47.3	19%	0.189	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-50.5	174.1	-174.1	179.9	81.8	-105.4	-6.9	110.8	I206 S207 A212 V213 F214 V227 L229 E243 L245 E248	I206-R210 WeakPolarHBondContact O-CB 3.13Å; I206-R210 PolarHBondContact O-N 2.67Å; S207-R210 PolarHBondContact O-N 3.43Å; S207-R210 PolarHBondContact OG-NH1 2.8Å; S207-R210 PolarHBondContact OG-NH2 3.39Å; R210-A212 VanDerWaalsContact C-N 3.33Å; R210-A212 PolarHBondContact O-N 3.19Å; R210-V213 PolarHBondContact O-N 2.68Å; R210-F214 WeakPolarHBondContact O-CB 3.37Å; R210-F214 PolarHBondContact O-N 3.03Å; R210-V227 HydrophobicContact CG-CG1 4.21Å; R210-L229 HydrophobicContact CB-CD1 4.28Å; R210-E243 WeakPolarHBondContact CD-OE2 3.42Å; R210-E243 IonicContact NE-OE2 2.66Å; R210-L245 HydrophobicContact CG-CD2 4.3Å; R210-E248 WeakPolarHBondContact CD-OE2 3.48Å; R210-E248 IonicContact CZ-OE1 3.13Å; R210-E248 IonicContact NE-OE1 3.75Å; R210-E248 PolarHBondContact NE-OE1 3.1Å; R210-E248 IonicContact NE-OE2 3.34Å; R210-E248 PolarHBondContact NE-OE2 2.76Å; R210-E248 VanDerWaalsContact NE-OE2 3.13Å; R210-E248 IonicContact NH2-OE1 2.72Å; R210-E248 PolarHBondContact NH2-OE1 3.14Å
211	E	94.6	Very high	94.6	Very high	42 Å²	42	49.7 Å²	49.7	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-41.6	179.8	-178.7	62.8	-172.1	0	0	112.1	V191 S207 L208 V213 F214 R215	V191-E211 HydrophobicContact CG1-CB 4.41Å; V191-E211 HydrophobicContact CG1-CG 3.93Å; S207-E211 VanDerWaalsContact O-CB 3.29Å; S207-E211 WeakPolarHBondContact O-CB 3.39Å; S207-E211 PolarHBondContact O-N 2.78Å; L208-E211 PolarHBondContact O-N 2.75Å; E211-V213 PolarHBondContact O-N 2.99Å; E211-F214 PolarHBondContact O-N 2.68Å; E211-R215 HydrophobicContact CG-CG 4.39Å; E211-R215 WeakPolarHBondContact O-CB 3.27Å; E211-R215 VanDerWaalsContact O-CG 3.29Å; E211-R215 WeakPolarHBondContact O-CG 3.4Å; E211-R215 PolarHBondContact O-N 3.13Å; E211-R215 IonicContact OE1-CZ 2.72Å; E211-R215 IonicContact OE1-NE 3.96Å; E211-R215 PolarHBondContact OE1-NE 3.34Å; E211-R215 IonicContact OE1-NH2 3.78Å; E211-R215 PolarHBondContact OE1-NH2 3.16Å
212	A	96.6	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-43	177.5	0	0	0	0	0	112.3	L57 A188 V191 L192 L208 A209 R210 A216	L57-A212 HydrophobicContact CD2-CB 3.73Å; A188-A212 HydrophobicContact CB-CB 4.38Å; V191-A212 HydrophobicContact CB-CB 4.07Å; V191-A212 HydrophobicContact CG1-CB 4.09Å; L192-A212 HydrophobicContact CD2-CB 4.15Å; L192-A212 HydrophobicContact CG-CB 4.07Å; L208-A212 WeakPolarHBondContact O-CB 3.2Å; L208-A212 PolarHBondContact O-N 3.22Å; A209-A212 PolarHBondContact O-N 3.08Å; R210-A212 VanDerWaalsContact C-N 3.33Å; R210-A212 PolarHBondContact O-N 3.19Å; A212-A216 WeakPolarHBondContact O-CB 3.06Å; A212-A216 PolarHBondContact O-N 3.15Å; A212-A216 VanDerWaalsContact O-N 3.13Å
213	V	96.2	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71	-37.2	175.9	-178.6	0	0	0	0	111.2	L57 A68 D70 A209 R210 E211 A216 T217 V227 L245	L57-V213 HydrophobicContact CD2-CG2 3.72Å; L57-V213 HydrophobicContact CG-CG2 4.42Å; A68-V213 HydrophobicContact CB-CG2 4.03Å; D70-V213 HydrophobicContact CB-CG1 3.96Å; A209-V213 WeakPolarHBondContact O-CG2 3.43Å; A209-V213 PolarHBondContact O-N 2.78Å; R210-V213 PolarHBondContact O-N 2.68Å; E211-V213 PolarHBondContact O-N 2.99Å; V213-A216 PolarHBondContact O-N 3.49Å; V213-T217 WeakPolarHBondContact O-CB 3.39Å; V213-T217 PolarHBondContact O-N 2.69Å; V213-T217 PolarHBondContact O-OG1 3.03Å; V213-V227 HydrophobicContact CB-CG2 3.98Å; V213-V227 HydrophobicContact CG1-CB 4.23Å; V213-V227 HydrophobicContact CG1-CG2 4Å; V213-V227 HydrophobicContact CG2-CG2 3.98Å; V213-L245 HydrophobicContact CG1-CD1 4.04Å
214	F	94.6	Very high	94	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-51.6	175.9	174.5	-108	0	0	0	112	R210 E211 A216 T217 H218 L245 E248 Y249 E252	R210-F214 WeakPolarHBondContact O-CB 3.37Å; R210-F214 PolarHBondContact O-N 3.03Å; E211-F214 PolarHBondContact O-N 2.68Å; F214-A216 VanDerWaalsContact C-N 3.3Å; F214-A216 PolarHBondContact O-N 2.8Å; F214-T217 VanDerWaalsContact O-CB 3.27Å; F214-T217 WeakPolarHBondContact O-CB 3.22Å; F214-T217 PolarHBondContact O-N 3Å; F214-T217 VanDerWaalsContact O-N 3.1Å; F214-H218 PolarHBondContact O-N 3.27Å; F214-H218 VanDerWaalsContact O-N 3.08Å; F214-L245 HydrophobicContact CB-CD2 4.13Å; F214-L245 HydrophobicContact CD2-CB 4.19Å; F214-L245 HydrophobicContact CD2-CD2 4.33Å; F214-E248 HydrophobicContact CD2-CB 4.35Å; F214-E248 HydrophobicContact CD2-CG 4.44Å; F214-E248 HydrophobicContact CE2-CB 4.15Å; F214-E248 HydrophobicContact CE2-CG 4.35Å; F214-Y249 HydrophobicContact CZ-CD2 4.46Å; F214-E252 WeakPolarHBondContact CE1-OE2 3.19Å
215	R	94.1	Very high	93.9	Very high	101 Å²	101	38.5 Å²	38.5	38%	0.381	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-37.4	177.3	-66	-71.2	-175.4	-157.1	-17.5	112	V191 E211 H218 R219 E252	V191-R215 HydrophobicContact CG2-CB 3.77Å; V191-R215 HydrophobicContact CG2-CG 3.74Å; E211-R215 HydrophobicContact CG-CG 4.39Å; E211-R215 WeakPolarHBondContact O-CB 3.27Å; E211-R215 VanDerWaalsContact O-CG 3.29Å; E211-R215 WeakPolarHBondContact O-CG 3.4Å; E211-R215 PolarHBondContact O-N 3.13Å; E211-R215 IonicContact OE1-CZ 2.72Å; E211-R215 IonicContact OE1-NE 3.96Å; E211-R215 PolarHBondContact OE1-NE 3.34Å; E211-R215 IonicContact OE1-NH2 3.78Å; E211-R215 PolarHBondContact OE1-NH2 3.16Å; R215-H218 PolarHBondContact O-N 3.34Å; R215-R219 PolarHBondContact O-N 3.27Å; R215-E252 IonicContact CZ-OE1 2.68Å; R215-E252 IonicContact NH1-OE1 2.69Å; R215-E252 IonicContact NH1-OE2 2.75Å; R215-E252 IonicContact NH2-OE1 2.99Å; R215-E252 PolarHBondContact NH2-OE1 2.91Å; R215-E252 IonicContact NH2-OE2 3.12Å
216	A	94.7	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-42.8	172.7	0	0	0	0	0	111.9	T55 A212 V213 F214 H218 R219 D220 T223	T55-A216 HydrophobicContact CG2-CB 4Å; A212-A216 WeakPolarHBondContact O-CB 3.06Å; A212-A216 PolarHBondContact O-N 3.15Å; A212-A216 VanDerWaalsContact O-N 3.13Å; V213-A216 PolarHBondContact O-N 3.49Å; F214-A216 VanDerWaalsContact C-N 3.3Å; F214-A216 PolarHBondContact O-N 2.8Å; A216-H218 PolarHBondContact O-N 3.21Å; A216-R219 PolarHBondContact O-N 3.34Å; A216-R219 VanDerWaalsContact O-N 3.14Å; A216-D220 WeakPolarHBondContact O-CB 3.33Å; A216-D220 PolarHBondContact O-N 2.69Å; A216-T223 HydrophobicContact CB-CG2 4.22Å
217	T	92.7	Very high	93.7	Very high	32 Å²	32	39.3 Å²	39.3	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-37.1	175.8	-61.4	0	0	0	0	112.3	V213 F214 R219 G224 L245	V213-T217 WeakPolarHBondContact O-CB 3.39Å; V213-T217 PolarHBondContact O-N 2.69Å; V213-T217 PolarHBondContact O-OG1 3.03Å; F214-T217 VanDerWaalsContact O-CB 3.27Å; F214-T217 WeakPolarHBondContact O-CB 3.22Å; F214-T217 PolarHBondContact O-N 3Å; F214-T217 VanDerWaalsContact O-N 3.1Å; T217-R219 VanDerWaalsContact C-N 3.35Å; T217-G224 WeakPolarHBondContact OG1-CA 3.08Å; T217-L245 HydrophobicContact CG2-CD1 4.47Å; T217-L245 WeakPolarHBondContact OG1-CD1 3.21Å
218	H	90.2	Very high	93.8	Very high	112 Å²	112	37.2 Å²	37.2	52%	0.519	18%	0.176	S	C	.	.	H	α-helix	trans	-74	-25.6	-179.7	-164.8	76.4	0	0	0	113.3	F214 R215 A216 Y249	F214-H218 PolarHBondContact O-N 3.27Å; F214-H218 VanDerWaalsContact O-N 3.08Å; R215-H218 PolarHBondContact O-N 3.34Å; A216-H218 PolarHBondContact O-N 3.21Å; H218-Y249 AromaticContact CE1-CE2 3.48Å; H218-Y249 VanDerWaalsContact CE1-CE2 3.48Å; H218-Y249 WeakPolarHBondContact CE1-CE2 3.2Å; H218-Y249 AromaticContact ND1-CD2 3.96Å; H218-Y249 AromaticContact ND1-CE2 3.7Å
219	R	90.5	Very high	93.8	Very high	174 Å²	174	36.2 Å²	36.2	66%	0.657	17%	0.17	S	C	*	.	H	α-helix	trans	-109.4	-20.8	-173.8	-63.5	-58.9	-164.6	115.2	0.4	114.8	Y187 R215 A216 T217	Y187-R219 HydrophobicContact CD1-CB 3.61Å; Y187-R219 HydrophobicContact CD1-CG 4.05Å; Y187-R219 HydrophobicContact CD2-CB 3.82Å; Y187-R219 HydrophobicContact CE1-CB 3.57Å; Y187-R219 HydrophobicContact CE1-CG 4.18Å; Y187-R219 HydrophobicContact CE2-CB 3.78Å; Y187-R219 HydrophobicContact CG-CB 3.74Å; Y187-R219 HydrophobicContact CG-CG 4.45Å; R215-R219 PolarHBondContact O-N 3.27Å; A216-R219 PolarHBondContact O-N 3.34Å; A216-R219 VanDerWaalsContact O-N 3.14Å; T217-R219 VanDerWaalsContact C-N 3.35Å
220	D	92.3	Very high	93.9	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.08	17%	0.172	C	C	.	.			trans	-110.8	119	178.7	176.5	28.7	0	0	0	111.5	S183 G184 Y187 A216 Y222 T223	S183-D220 VanDerWaalsContact CB-OD2 3.3Å; S183-D220 WeakPolarHBondContact CB-OD2 3.4Å; S183-D220 PolarHBondContact OG-OD2 3.31Å; G184-D220 PolarHBondContact N-OD2 3Å; G184-D220 VanDerWaalsContact N-OD2 3.09Å; Y187-D220 HydrophobicContact CD2-CB 4.1Å; Y187-D220 HydrophobicContact CE2-CB 3.96Å; A216-D220 WeakPolarHBondContact O-CB 3.33Å; A216-D220 PolarHBondContact O-N 2.69Å; D220-Y222 PolarHBondContact O-N 3.21Å; D220-Y222 WeakPolarHBondContact OD1-CD2 3.35Å; D220-Y222 PolarHBondContact OD1-N 2.91Å; D220-T223 PolarHBondContact O-N 3.22Å; D220-T223 WeakPolarHBondContact OD2-CB 3.48Å; D220-T223 PolarHBondContact OD2-N 3.09Å; D220-T223 PolarHBondContact OD2-OG1 3.5Å
221	A	89.7	Confident	94	Very high	74 Å²	74	34.4 Å²	34.4	61%	0.612	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.6	-179.7	0	0	0	0	0	113.3	R72	R72-A221 PolarHBondContact NH1-O 3.12Å
222	Y	90.9	Very high	94.2	Very high	70 Å²	70	32.4 Å²	32.4	28%	0.275	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12	-177.6	-53.9	-70.2	0	0	0	113.9	S51 G53 R72 D220	S51-Y222 WeakPolarHBondContact OG-CE1 3.45Å; S51-Y222 PolarHBondContact OG-OH 3.33Å; G53-Y222 VanDerWaalsContact CA-CB 3.46Å; R72-Y222 WeakPolarHBondContact CD-O 3.37Å; D220-Y222 PolarHBondContact O-N 3.21Å; D220-Y222 WeakPolarHBondContact OD1-CD2 3.35Å; D220-Y222 PolarHBondContact OD1-N 2.91Å
223	T	92.1	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-101.4	139.2	179.8	-65.3	0	0	0	0	110	T55 D70 R72 A216 D220	T55-T223 PolarHBondContact N-OG1 2.87Å; T55-T223 WeakPolarHBondContact OG1-CG2 3.43Å; T55-T223 PolarHBondContact OG1-OG1 2.94Å; D70-T223 HydrophobicContact CB-CG2 3.62Å; D70-T223 WeakPolarHBondContact OD2-CA 3.36Å; R72-T223 PolarHBondContact NH1-O 3.4Å; A216-T223 HydrophobicContact CB-CG2 4.22Å; D220-T223 PolarHBondContact O-N 3.22Å; D220-T223 WeakPolarHBondContact OD2-CB 3.48Å; D220-T223 PolarHBondContact OD2-N 3.09Å; D220-T223 PolarHBondContact OD2-OG1 3.5Å
224	G	91.5	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	157.3	-153.3	163.8	0	0	0	0	0	117.1	D70 T71 R72 T217 N226	D70-G224 PolarHBondContact OD2-N 2.9Å; T71-G224 PolarHBondContact N-O 3.22Å; R72-G224 PolarHBondContact N-O 3.14Å; T217-G224 WeakPolarHBondContact OG1-CA 3.08Å; G224-N226 PolarHBondContact O-N 3.03Å
225	N	92.9	Very high	94.1	Very high	48 Å²	48	43.2 Å²	43.2	26%	0.257	22%	0.215	S	C	.	.	S	Bend	trans	70.6	-101.9	-172	-62.2	82.9	0	0	0	111.4	R72 P82 L245	R72-N225 PolarHBondContact NE-OD1 2.98Å; R72-N225 PolarHBondContact NH2-OD1 3Å; P82-N225 HydrophobicContact CB-CB 4.42Å; P82-N225 WeakPolarHBondContact CB-ND2 3.25Å; P82-N225 VanDerWaalsContact O-CB 3.25Å; P82-N225 WeakPolarHBondContact O-CB 3.48Å; N225-L245 VanDerWaalsContact O-CB 3.3Å; N225-L245 WeakPolarHBondContact O-CB 3.44Å; N225-L245 PolarHBondContact O-N 2.97Å
226	N	95	Very high	94.2	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.16	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	168.8	-177.3	-47.4	-78.1	0	0	0	110.6	D70 T71 G224 R242 E243 D244	D70-N226 WeakPolarHBondContact CA-O 3.4Å; T71-N226 HydrophobicContact CG2-CB 3.88Å; T71-N226 PolarHBondContact N-O 3.47Å; T71-N226 VanDerWaalsContact N-O 3.12Å; T71-N226 WeakPolarHBondContact OG1-CB 3Å; T71-N226 PolarHBondContact OG1-N 2.9Å; T71-N226 VanDerWaalsContact OG1-N 3.09Å; T71-N226 PolarHBondContact OG1-ND2 3.29Å; G224-N226 PolarHBondContact O-N 3.03Å; N226-R242 HydrophobicContact CB-CG 3.48Å; N226-R242 VanDerWaalsContact CB-CG 3.48Å; N226-E243 CarbonylContact C-O 3.56Å; N226-E243 VanDerWaalsContact CA-O 3.24Å; N226-E243 WeakPolarHBondContact CA-O 3.42Å; N226-E243 VanDerWaalsContact CB-O 3.3Å; N226-E243 WeakPolarHBondContact CB-O 3.38Å; N226-D244 WeakPolarHBondContact OD1-CA 3.14Å
227	V	95.8	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.5	168.2	63.4	0	0	0	0	110.7	A68 A69 R210 V213 L229 E243 L245	A68-V227 HydrophobicContact CB-CG2 4.41Å; A69-V227 WeakPolarHBondContact O-CA 3.35Å; R210-V227 HydrophobicContact CG-CG1 4.21Å; V213-V227 HydrophobicContact CB-CG2 3.98Å; V213-V227 HydrophobicContact CG1-CB 4.23Å; V213-V227 HydrophobicContact CG1-CG2 4Å; V213-V227 HydrophobicContact CG2-CG2 3.98Å; V227-L229 HydrophobicContact CG1-CD1 4.12Å; V227-L229 HydrophobicContact CG2-CD1 4.01Å; V227-L229 HydrophobicContact CG2-CG 3.97Å; V227-E243 HydrophobicContact CG1-CB 3.86Å; V227-E243 PolarHBondContact N-O 3.33Å; V227-E243 PolarHBondContact O-N 3.05Å; V227-L245 HydrophobicContact CB-CD1 4.29Å; V227-L245 HydrophobicContact CB-CD2 4.13Å; V227-L245 HydrophobicContact CB-CG 4.33Å; V227-L245 HydrophobicContact CG1-CD2 3.81Å; V227-L245 HydrophobicContact CG1-CG 4.35Å
228	D	96.9	Very high	94.5	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.6	166.5	-73.9	-29.3	0	0	0	109.1	A68 A69 I87 R242	A68-D228 VanDerWaalsContact CA-O 3.22Å; A68-D228 WeakPolarHBondContact CA-O 3.5Å; A69-D228 PolarHBondContact N-O 2.58Å; A69-D228 PolarHBondContact O-N 3.01Å; I87-D228 HydrophobicContact CD1-CB 4.09Å; I87-D228 WeakPolarHBondContact CD1-O 3.3Å; D228-R242 VanDerWaalsContact CG-NH2 3.31Å; D228-R242 IonicContact OD1-CZ 3.53Å; D228-R242 IonicContact OD1-NE 3.69Å; D228-R242 PolarHBondContact OD1-NE 2.58Å; D228-R242 IonicContact OD1-NH2 2.8Å; D228-R242 PolarHBondContact OD1-NH2 3.18Å; D228-R242 VanDerWaalsContact OD1-NH2 3.13Å; D228-R242 IonicContact OD2-CZ 3.35Å; D228-R242 IonicContact OD2-NE 3.57Å; D228-R242 IonicContact OD2-NH2 3.99Å; D228-R242 PolarHBondContact OD2-NH2 3.2Å
229	L	97	Very high	94.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131	-176.6	-83	152.1	0	0	0	111.3	I66 A68 I206 A209 R210 V227 R240	I66-L229 HydrophobicContact CG2-CD2 3.81Å; A68-L229 HydrophobicContact CB-CD2 3.44Å; A68-L229 VanDerWaalsContact CB-CD2 3.44Å; A68-L229 HydrophobicContact CB-CG 4.08Å; I206-L229 HydrophobicContact CG2-CD1 4.4Å; A209-L229 HydrophobicContact CB-CD2 3.58Å; R210-L229 HydrophobicContact CB-CD1 4.28Å; V227-L229 HydrophobicContact CG1-CD1 4.12Å; V227-L229 HydrophobicContact CG2-CD1 4.01Å; V227-L229 HydrophobicContact CG2-CG 3.97Å; L229-R240 HydrophobicContact CB-CB 4.06Å; L229-R240 HydrophobicContact CB-CG 4.38Å; L229-R240 PolarHBondContact O-N 2.76Å
230	F	98.1	Very high	95	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.7	174.3	-74.4	-109.5	0	0	0	109.2	I66 A67 I87 V95 I232 W237 Q239	I66-F230 WeakPolarHBondContact CA-O 3.38Å; A67-F230 HydrophobicContact CB-CB 4.42Å; A67-F230 PolarHBondContact N-O 3.26Å; A67-F230 PolarHBondContact O-N 3.35Å; I87-F230 HydrophobicContact CB-CD2 3.95Å; I87-F230 HydrophobicContact CB-CE2 3.78Å; I87-F230 HydrophobicContact CD1-CD2 3.77Å; I87-F230 HydrophobicContact CD1-CE2 4.23Å; I87-F230 HydrophobicContact CG1-CD2 4.47Å; I87-F230 HydrophobicContact CG2-CD2 3.55Å; I87-F230 HydrophobicContact CG2-CE2 3.74Å; I87-F230 HydrophobicContact CG2-CG 4.01Å; I87-F230 HydrophobicContact CG2-CZ 4.33Å; V95-F230 HydrophobicContact CG1-CD1 3.94Å; V95-F230 HydrophobicContact CG1-CG 4.48Å; F230-I232 HydrophobicContact CB-CD1 4.19Å; F230-W237 HydrophobicContact CD1-CD2 4.33Å; F230-W237 AromaticContact CD1-CE3 3.8Å; F230-W237 HydrophobicContact CD1-CE3 3.8Å; F230-W237 HydrophobicContact CD1-CZ3 4.43Å; F230-W237 HydrophobicContact CE1-CD2 4.39Å; F230-W237 AromaticContact CE1-CE3 3.72Å; F230-W237 HydrophobicContact CE1-CE3 3.72Å; F230-W237 AromaticContact CE1-CZ3 3.91Å; F230-W237 HydrophobicContact CE1-CZ3 3.91Å; F230-Q239 HydrophobicContact CD1-CB 4.04Å; F230-Q239 HydrophobicContact CD1-CG 4.46Å; F230-Q239 HydrophobicContact CD2-CG 4.4Å; F230-Q239 HydrophobicContact CE1-CB 3.64Å; F230-Q239 HydrophobicContact CE1-CG 3.92Å; F230-Q239 HydrophobicContact CE2-CB 4.43Å; F230-Q239 HydrophobicContact CE2-CG 3.83Å; F230-Q239 HydrophobicContact CZ-CB 3.86Å; F230-Q239 VanDerWaalsContact CZ-CD 3.46Å; F230-Q239 HydrophobicContact CZ-CG 3.56Å
231	H	97.9	Very high	95.1	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.5	168.5	170.3	-131.9	0	0	0	108.4	F61 G63 I66 K202 D233 W237 I238	F61-H231 AromaticContact CZ-CD2 3.98Å; F61-H231 AromaticContact CZ-NE2 3.89Å; G63-H231 PolarHBondContact O-NE2 2.72Å; I66-H231 HydrophobicContact CD1-CB 3.86Å; K202-H231 WeakPolarHBondContact CE-ND1 3.39Å; K202-H231 PolarHBondContact NZ-ND1 3.14Å; H231-D233 IonicContact CE1-OD2 3.21Å; H231-D233 PolarHBondContact CE1-OD2 2.92Å; H231-W237 CarbonylContact O-C 3.55Å; H231-W237 VanDerWaalsContact O-CA 3.3Å; H231-W237 WeakPolarHBondContact O-CA 3.19Å; H231-I238 PolarHBondContact N-O 3.2Å; H231-I238 PolarHBondContact O-N 2.81Å
232	I	97.8	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.7	-179.4	-48.4	91.3	0	0	0	109.5	G64 V65 A67 V95 C155 W157 F230 G236 W237	G64-I232 CarbonylContact C-O 3.57Å; G64-I232 VanDerWaalsContact CA-O 3.25Å; G64-I232 WeakPolarHBondContact CA-O 3.24Å; V65-I232 HydrophobicContact CB-CB 4.37Å; V65-I232 HydrophobicContact CB-CD1 4.3Å; V65-I232 HydrophobicContact CG1-CD1 4.43Å; V65-I232 PolarHBondContact N-O 3.35Å; V65-I232 WeakPolarHBondContact O-CD1 3.34Å; V65-I232 PolarHBondContact O-N 3.32Å; A67-I232 HydrophobicContact CB-CD1 4.23Å; V95-I232 HydrophobicContact CG1-CG1 4.25Å; V95-I232 HydrophobicContact CG2-CD1 3.61Å; V95-I232 HydrophobicContact CG2-CG1 4.03Å; C155-I232 HydrophobicContact CB-CD1 4.43Å; W157-I232 HydrophobicContact CB-CG2 4.18Å; F230-I232 HydrophobicContact CB-CD1 4.19Å; I232-G236 WeakPolarHBondContact CA-O 3.38Å; I232-W237 HydrophobicContact CB-CB 4.49Å; I232-W237 HydrophobicContact CG1-CB 3.79Å; I232-W237 HydrophobicContact CG2-CB 4.41Å
233	D	96.1	Very high	95.3	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.118	22%	0.218	C	C	.	.			trans	-128.5	-167.5	178.6	62.7	24.2	0	0	0	111.5	W157 H231 Q235 G236	W157-D233 VanDerWaalsContact CB-O 3.27Å; W157-D233 WeakPolarHBondContact CB-O 3.22Å; H231-D233 IonicContact CE1-OD2 3.21Å; H231-D233 PolarHBondContact CE1-OD2 2.92Å; D233-Q235 VanDerWaalsContact C-N 3.26Å; D233-Q235 PolarHBondContact O-N 3.47Å; D233-Q235 WeakPolarHBondContact OD1-CA 3.3Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.35Å; D233-Q235 PolarHBondContact OD1-N 3.49Å; D233-Q235 PolarHBondContact OD1-OE1 3.34Å; D233-Q235 PolarHBondContact OD2-OE1 3.3Å; D233-G236 PolarHBondContact N-O 3.3Å; D233-G236 PolarHBondContact O-N 3.29Å; D233-G236 PolarHBondContact OD1-N 3.49Å; D233-G236 VanDerWaalsContact OD1-O 3.06Å
234	A	95.1	Very high	95.1	Very high	56 Å²	56	47.3 Å²	47.3	46%	0.463	24%	0.237	S	C	.	.	S	Bend	trans	-66.3	-26.4	179.1	0	0	0	0	0	113.2	H93 W157	H93-A234 PolarHBondContact NE2-O 3.49Å; W157-A234 HydrophobicContact CZ2-CB 4.26Å
235	Q	95	Very high	94.8	Very high	157 Å²	157	47.6 Å²	47.6	73%	0.734	24%	0.238	S	C	*	.	S	Bend	trans	-79.4	-34.5	178	-63.7	90	-26.5	0	0	111.2	H93 D233	H93-Q235 PolarHBondContact NE2-O 3.26Å; D233-Q235 VanDerWaalsContact C-N 3.26Å; D233-Q235 PolarHBondContact O-N 3.47Å; D233-Q235 WeakPolarHBondContact OD1-CA 3.3Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.35Å; D233-Q235 PolarHBondContact OD1-N 3.49Å; D233-Q235 PolarHBondContact OD1-OE1 3.34Å; D233-Q235 PolarHBondContact OD2-OE1 3.3Å
236	G	95.5	Very high	94.1	Very high	7 Å²	7	51.5 Å²	51.5	7%	0.072	25%	0.253	C	S	.	.			trans	152.9	-159.7	174.1	0	0	0	0	0	112.3	S92 I232 D233	S92-G236 CarbonylContact O-C 3.52Å; S92-G236 WeakPolarHBondContact O-CA 3.4Å; I232-G236 WeakPolarHBondContact CA-O 3.38Å; D233-G236 PolarHBondContact N-O 3.3Å; D233-G236 PolarHBondContact O-N 3.29Å; D233-G236 PolarHBondContact OD1-N 3.49Å; D233-G236 VanDerWaalsContact OD1-O 3.06Å
237	W	96.9	Very high	93	Very high	83 Å²	83	55.6 Å²	55.6	31%	0.314	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.7	170	62.3	-101	0	0	0	111.3	P89 H91 S92 V95 F230 H231 I232 Q239	P89-W237 HydrophobicContact CB-CD2 4.32Å; P89-W237 HydrophobicContact CB-CH2 4.35Å; P89-W237 HydrophobicContact CB-CZ2 3.62Å; P89-W237 HydrophobicContact CG-CH2 4.33Å; P89-W237 HydrophobicContact CG-CZ2 3.98Å; H91-W237 PolarHBondContact O-NE1 2.91Å; S92-W237 VanDerWaalsContact C-CD1 3.42Å; S92-W237 VanDerWaalsContact O-CD1 3.22Å; S92-W237 PolarHBondContact O-N 2.97Å; V95-W237 HydrophobicContact CG1-CB 3.89Å; V95-W237 HydrophobicContact CG1-CG 3.89Å; F230-W237 HydrophobicContact CD1-CD2 4.33Å; F230-W237 AromaticContact CD1-CE3 3.8Å; F230-W237 HydrophobicContact CD1-CE3 3.8Å; F230-W237 HydrophobicContact CD1-CZ3 4.43Å; F230-W237 HydrophobicContact CE1-CD2 4.39Å; F230-W237 AromaticContact CE1-CE3 3.72Å; F230-W237 HydrophobicContact CE1-CE3 3.72Å; F230-W237 AromaticContact CE1-CZ3 3.91Å; F230-W237 HydrophobicContact CE1-CZ3 3.91Å; H231-W237 CarbonylContact O-C 3.55Å; H231-W237 VanDerWaalsContact O-CA 3.3Å; H231-W237 WeakPolarHBondContact O-CA 3.19Å; I232-W237 HydrophobicContact CB-CB 4.49Å; I232-W237 HydrophobicContact CG1-CB 3.79Å; I232-W237 HydrophobicContact CG2-CB 4.41Å; W237-Q239 HydrophobicContact CE3-CB 4.36Å; W237-Q239 HydrophobicContact CZ3-CB 4.04Å
238	I	97.2	Very high	91.8	Very high	85 Å²	85	56.9 Å²	56.9	44%	0.436	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.5	170.9	-60.4	172.5	0	0	0	107	H231	H231-I238 PolarHBondContact N-O 3.2Å; H231-I238 PolarHBondContact O-N 2.81Å
239	Q	96.2	Very high	90.3	Very high	91 Å²	91	61.1 Å²	61.1	43%	0.425	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.3	172.1	-176.2	175.5	7.7	0	0	109.1	F230 W237	F230-Q239 HydrophobicContact CD1-CB 4.04Å; F230-Q239 HydrophobicContact CD1-CG 4.46Å; F230-Q239 HydrophobicContact CD2-CG 4.4Å; F230-Q239 HydrophobicContact CE1-CB 3.64Å; F230-Q239 HydrophobicContact CE1-CG 3.92Å; F230-Q239 HydrophobicContact CE2-CB 4.43Å; F230-Q239 HydrophobicContact CE2-CG 3.83Å; F230-Q239 HydrophobicContact CZ-CB 3.86Å; F230-Q239 VanDerWaalsContact CZ-CD 3.46Å; F230-Q239 HydrophobicContact CZ-CG 3.56Å; W237-Q239 HydrophobicContact CE3-CB 4.36Å; W237-Q239 HydrophobicContact CZ3-CB 4.04Å
240	R	94.8	Very high	88.9	Confident	105 Å²	105	67.1 Å²	67.1	40%	0.396	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-81.5	151.8	169.7	-69.9	-72.5	-63.3	172.3	-0.5	109.8	L229 R242	L229-R240 HydrophobicContact CB-CB 4.06Å; L229-R240 HydrophobicContact CB-CG 4.38Å; L229-R240 PolarHBondContact O-N 2.76Å; R240-R242 PolarHBondContact O-N 3.14Å
241	P	94	Very high	87.7	Confident	91 Å²	91	74.6 Å²	74.6	59%	0.591	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-52.6	139.1	169.5	-22.9	33.6	0	0	0	110	E243	P241-E243 PolarHBondContact O-N 2.8Å
242	R	93.6	Very high	86.3	Confident	79 Å²	79	78.7 Å²	78.7	30%	0.298	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-61.7	131.8	174.3	175.2	174.5	-73.9	-177.6	-3.7	109.2	A83 H85 N226 D228 R240	A83-R242 PolarHBondContact O-NH1 3.3Å; H85-R242 PolarHBondContact CD2-NH2 2.87Å; H85-R242 PolarHBondContact NE2-NH2 3.01Å; N226-R242 HydrophobicContact CB-CG 3.48Å; N226-R242 VanDerWaalsContact CB-CG 3.48Å; D228-R242 VanDerWaalsContact CG-NH2 3.31Å; D228-R242 IonicContact OD1-CZ 3.53Å; D228-R242 IonicContact OD1-NE 3.69Å; D228-R242 PolarHBondContact OD1-NE 2.58Å; D228-R242 IonicContact OD1-NH2 2.8Å; D228-R242 PolarHBondContact OD1-NH2 3.18Å; D228-R242 VanDerWaalsContact OD1-NH2 3.13Å; D228-R242 IonicContact OD2-CZ 3.35Å; D228-R242 IonicContact OD2-NE 3.57Å; D228-R242 IonicContact OD2-NH2 3.99Å; D228-R242 PolarHBondContact OD2-NH2 3.2Å; R240-R242 PolarHBondContact O-N 3.14Å
243	E	91	Very high	84.7	Confident	51 Å²	51	84.1 Å²	84.1	24%	0.238	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.5	-177.8	-59	179.2	-156.9	0	0	109.6	R210 N226 V227 P241	R210-E243 WeakPolarHBondContact CD-OE2 3.42Å; R210-E243 IonicContact NE-OE2 2.66Å; N226-E243 CarbonylContact C-O 3.56Å; N226-E243 VanDerWaalsContact CA-O 3.24Å; N226-E243 WeakPolarHBondContact CA-O 3.42Å; N226-E243 VanDerWaalsContact CB-O 3.3Å; N226-E243 WeakPolarHBondContact CB-O 3.38Å; V227-E243 HydrophobicContact CG1-CB 3.86Å; V227-E243 PolarHBondContact N-O 3.33Å; V227-E243 PolarHBondContact O-N 3.05Å; P241-E243 PolarHBondContact O-N 2.8Å
244	D	89	Confident	82.6	Confident	73 Å²	73	93.6 Å²	93.6	39%	0.39	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.6	176.2	-171.2	-8.4	0	0	0	109.8	N226 K246	N226-D244 WeakPolarHBondContact OD1-CA 3.14Å; D244-K246 PolarHBondContact O-N 3.17Å; D244-K246 WeakPolarHBondContact OD1-CB 3.43Å; D244-K246 PolarHBondContact OD1-N 3.5Å
245	L	84.6	Confident	82	Confident	5 Å²	5	95.5 Å²	95.5	3%	0.026	44%	0.435	C	S	.	.	H	α-helix	trans	-73.4	-14.8	-178.6	-61.3	175.3	0	0	0	112.3	R210 V213 F214 T217 N225 V227 E248 Y249	R210-L245 HydrophobicContact CG-CD2 4.3Å; V213-L245 HydrophobicContact CG1-CD1 4.04Å; F214-L245 HydrophobicContact CB-CD2 4.13Å; F214-L245 HydrophobicContact CD2-CB 4.19Å; F214-L245 HydrophobicContact CD2-CD2 4.33Å; T217-L245 HydrophobicContact CG2-CD1 4.47Å; T217-L245 WeakPolarHBondContact OG1-CD1 3.21Å; N225-L245 VanDerWaalsContact O-CB 3.3Å; N225-L245 WeakPolarHBondContact O-CB 3.44Å; N225-L245 PolarHBondContact O-N 2.97Å; V227-L245 HydrophobicContact CB-CD1 4.29Å; V227-L245 HydrophobicContact CB-CD2 4.13Å; V227-L245 HydrophobicContact CB-CG 4.33Å; V227-L245 HydrophobicContact CG1-CD2 3.81Å; V227-L245 HydrophobicContact CG1-CG 4.35Å; L245-E248 PolarHBondContact O-N 2.92Å; L245-Y249 PolarHBondContact O-N 3.07Å
246	K	78.3	Confident	81.3	Confident	130 Å²	130	92.3 Å²	92.3	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-64.4	-40.5	178.2	-173.5	-179	177.4	-171.9	0	111.7	D244 E248 Y249 Y250	D244-K246 PolarHBondContact O-N 3.17Å; D244-K246 WeakPolarHBondContact OD1-CB 3.43Å; D244-K246 PolarHBondContact OD1-N 3.5Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 PolarHBondContact O-N 2.87Å; K246-Y249 PolarHBondContact O-N 3.29Å; K246-Y250 HydrophobicContact CD-CE2 4.48Å; K246-Y250 HydrophobicContact CG-CD2 4.4Å; K246-Y250 HydrophobicContact CG-CE2 3.86Å; K246-Y250 WeakPolarHBondContact O-CD2 3.48Å
247	E	72.4	Confident	80.5	Confident	116 Å²	116	97 Å²	97	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-66.5	-36.3	179.3	-66.7	-171.5	175.9	0	0	111.9	Y249 Y250 R251	E247-Y249 VanDerWaalsContact C-N 3.34Å; E247-Y249 PolarHBondContact O-N 2.83Å; E247-Y250 PolarHBondContact O-N 2.8Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 VanDerWaalsContact O-N 3.14Å; E247-R251 IonicContact OE2-NH2 3.37Å; E247-R251 PolarHBondContact OE2-NH2 2.88Å
248	E	69.9	Low	79.5	Confident	28 Å²	28	97.8 Å²	97.8	13%	0.131	45%	0.445	C	S	.	.	H	α-helix	trans	-65.9	-37.9	-179.9	-166	157.8	-147.2	0	0	111.7	R210 F214 L245 K246 Y250 R251 E252	R210-E248 WeakPolarHBondContact CD-OE2 3.48Å; R210-E248 IonicContact CZ-OE1 3.13Å; R210-E248 IonicContact NE-OE1 3.75Å; R210-E248 PolarHBondContact NE-OE1 3.1Å; R210-E248 IonicContact NE-OE2 3.34Å; R210-E248 PolarHBondContact NE-OE2 2.76Å; R210-E248 VanDerWaalsContact NE-OE2 3.13Å; R210-E248 IonicContact NH2-OE1 2.72Å; R210-E248 PolarHBondContact NH2-OE1 3.14Å; F214-E248 HydrophobicContact CD2-CB 4.35Å; F214-E248 HydrophobicContact CD2-CG 4.44Å; F214-E248 HydrophobicContact CE2-CB 4.15Å; F214-E248 HydrophobicContact CE2-CG 4.35Å; L245-E248 PolarHBondContact O-N 2.92Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 PolarHBondContact O-N 2.87Å; E248-Y250 VanDerWaalsContact C-N 3.29Å; E248-Y250 PolarHBondContact O-N 2.93Å; E248-R251 PolarHBondContact O-N 3.37Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-E252 PolarHBondContact O-N 2.86Å; E248-E252 VanDerWaalsContact O-N 3.15Å
249	Y	66.2	Low	78.4	Confident	90 Å²	90	98.6 Å²	98.6	35%	0.353	45%	0.446	S	S	.	.	H	α-helix	trans	-57.8	-40.3	172.8	179.1	-102.7	0	0	0	113	F214 H218 L245 K246 E247 L253	F214-Y249 HydrophobicContact CZ-CD2 4.46Å; H218-Y249 AromaticContact CE1-CE2 3.48Å; H218-Y249 VanDerWaalsContact CE1-CE2 3.48Å; H218-Y249 WeakPolarHBondContact CE1-CE2 3.2Å; H218-Y249 AromaticContact ND1-CD2 3.96Å; H218-Y249 AromaticContact ND1-CE2 3.7Å; L245-Y249 PolarHBondContact O-N 3.07Å; K246-Y249 PolarHBondContact O-N 3.29Å; E247-Y249 VanDerWaalsContact C-N 3.34Å; E247-Y249 PolarHBondContact O-N 2.83Å; Y249-L253 HydrophobicContact CD1-CD1 3.97Å; Y249-L253 HydrophobicContact CE1-CD1 3.42Å; Y249-L253 VanDerWaalsContact CE1-CD1 3.42Å; Y249-L253 HydrophobicContact CE2-CD1 4.44Å
250	Y	68	Low	77.2	Confident	129 Å²	129	99.1 Å²	99.1	51%	0.506	45%	0.447	S	S	.	.	H	α-helix	trans	-73	-32.1	178	-69.8	-69.3	0	0	0	112.4	K246 E247 E248 E252 L253	K246-Y250 HydrophobicContact CD-CE2 4.48Å; K246-Y250 HydrophobicContact CG-CD2 4.4Å; K246-Y250 HydrophobicContact CG-CE2 3.86Å; K246-Y250 WeakPolarHBondContact O-CD2 3.48Å; E247-Y250 PolarHBondContact O-N 2.8Å; E248-Y250 VanDerWaalsContact C-N 3.29Å; E248-Y250 PolarHBondContact O-N 2.93Å; Y250-E252 VanDerWaalsContact C-N 3.34Å; Y250-E252 PolarHBondContact O-N 3.25Å; Y250-L253 PolarHBondContact O-N 3.45Å
251	R	71.9	Confident	76	Confident	162 Å²	162	98.7 Å²	98.7	61%	0.611	45%	0.451	S	S	*	.	H	α-helix	trans	-67	-31.1	175.1	-67.6	-178.9	-152.2	165.7	8.3	113.4	E247 E248 L253	E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 VanDerWaalsContact O-N 3.14Å; E247-R251 IonicContact OE2-NH2 3.37Å; E247-R251 PolarHBondContact OE2-NH2 2.88Å; E248-R251 PolarHBondContact O-N 3.37Å; E248-R251 VanDerWaalsContact O-N 3.16Å; R251-L253 VanDerWaalsContact C-N 3.31Å
252	E	69.9	Low	74.6	Confident	93 Å²	93	99.3 Å²	99.3	44%	0.435	44%	0.44	S	S	.	.	H	α-helix	trans	-74.8	-19.6	175.9	-74.8	-162.3	148.2	0	0	113.4	F214 R215 E248 Y250	F214-E252 WeakPolarHBondContact CE1-OE2 3.19Å; R215-E252 IonicContact CZ-OE1 2.68Å; R215-E252 IonicContact NH1-OE1 2.69Å; R215-E252 IonicContact NH1-OE2 2.75Å; R215-E252 IonicContact NH2-OE1 2.99Å; R215-E252 PolarHBondContact NH2-OE1 2.91Å; R215-E252 IonicContact NH2-OE2 3.12Å; E248-E252 PolarHBondContact O-N 2.86Å; E248-E252 VanDerWaalsContact O-N 3.15Å; Y250-E252 VanDerWaalsContact C-N 3.34Å; Y250-E252 PolarHBondContact O-N 3.25Å
253	L	63	Low	73	Confident	113 Å²	113	101 Å²	101	59%	0.592	45%	0.452	S	S	*	.	H	α-helix	trans	-85.8	-15.4	-179.8	-78.7	167.4	0	0	0	113.5	Y249 Y250 R251	Y249-L253 HydrophobicContact CD1-CD1 3.97Å; Y249-L253 HydrophobicContact CE1-CD1 3.42Å; Y249-L253 VanDerWaalsContact CE1-CD1 3.42Å; Y249-L253 HydrophobicContact CE2-CD1 4.44Å; Y250-L253 PolarHBondContact O-N 3.45Å; R251-L253 VanDerWaalsContact C-N 3.31Å
254	E	51.9	Low	71.4	Confident	222 Å²	222	105.5 Å²	105.5	100%	1.037	47%	0.472	S	S	*	.			trans	-87.1	0	175.5	-68.6	179.9	168.8	0	0	111.6

Retrieved 254 of 254 residues in 507.5 ms (Link to these results)

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