A0A096MXH6_PAPAN Loading...

EGF domain-specific O-linked N-acetylglucosamine transferase

Catalyzes the transfer of a single N-acetylglucosamine from UDP-GlcNAc to a serine or threonine residue in extracellular proteins resulting in their modification with a beta-linked N-acetylglucosamine (O-GlcNAc). Specifically glycosylates the Thr residue located between the fifth and sixth conserved cysteines of folded EGF-like domains.

AlphaFold DB (A0A2K5NQE1), UniProt , Accession A0A096MXH6, Species PAPAN (Papio anubis, Olive baboon), Gene EOGT, Length 527 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	34.3	Very low	27.2	Very low	242 Å²	242	158.9 Å²	158.9	100%	1.192	84%	0.84	S	S	*	*				0	85.3	0	-163.6	167.6	87.6	0	0	107.7
2	L	26.7	Very low	27	Very low	174 Å²	174	159.8 Å²	159.8	91%	0.911	84%	0.836	S	S	*	*			trans	-138.3	108.6	171.8	-123.7	97.2	0	0	0	105.6
3	M	25.5	Very low	26.9	Very low	173 Å²	173	161.8 Å²	161.8	85%	0.852	84%	0.838	S	S	*	*			trans	-78.6	120.8	175.2	-90.2	-159.8	154.3	0	0	109.2
4	L	28.3	Very low	27	Very low	163 Å²	163	153.6 Å²	153.6	85%	0.853	80%	0.798	S	S	*	*			trans	-85.9	112	163.3	-88.1	150.7	0	0	0	107.9	V6	L4-V6 PolarHBondContact O-N 3.44Å
5	F	27	Very low	26.9	Very low	176 Å²	176	149 Å²	149	77%	0.772	78%	0.782	S	S	*	*			trans	-75.2	110.4	166.3	-94.8	-90.1	0	0	0	108.7
6	V	27.6	Very low	27.1	Very low	130 Å²	130	146 Å²	146	79%	0.788	77%	0.766	S	S	*	*			trans	-86.4	108.2	166.5	178	0	0	0	0	107.1	L4 G8	L4-V6 PolarHBondContact O-N 3.44Å; V6-G8 PolarHBondContact O-N 2.94Å
7	F	27.6	Very low	27.4	Very low	189 Å²	189	141.4 Å²	141.4	83%	0.829	75%	0.749	S	S	*	*			trans	-74.3	102.6	164.8	-102.5	-91.4	0	0	0	108	V9	F7-V9 PolarHBondContact O-N 2.79Å
8	G	24.3	Very low	27.5	Very low	62 Å²	62	139.8 Å²	139.8	64%	0.639	74%	0.741	S	S	*	*			trans	-72.3	111	168.4	0	0	0	0	0	109.6	V6 L10	V6-G8 PolarHBondContact O-N 2.94Å; G8-L10 PolarHBondContact O-N 2.93Å
9	V	26.8	Very low	28	Very low	126 Å²	126	141.3 Å²	141.3	76%	0.764	74%	0.743	S	S	*	*			trans	-76	109	165.3	177.6	0	0	0	0	106.8	F7 L11	F7-V9 PolarHBondContact O-N 2.79Å; V9-L11 PolarHBondContact O-N 2.72Å; V9-L11 VanDerWaalsContact O-N 3.08Å
10	L	24.9	Very low	28.1	Very low	155 Å²	155	141 Å²	141	81%	0.812	74%	0.742	S	S	*	*			trans	-66.6	98.5	167.7	-89.2	138.2	0	0	0	108.3	G8 H12	G8-L10 PolarHBondContact O-N 2.93Å; L10-H12 PolarHBondContact O-N 3.24Å
11	L	26.5	Very low	28.1	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	74%	0.743	S	S	*	*			trans	-69	109.9	160.5	-79.2	155.1	0	0	0	107.1	V9 E13	V9-L11 PolarHBondContact O-N 2.72Å; V9-L11 VanDerWaalsContact O-N 3.08Å; L11-E13 PolarHBondContact O-N 3.12Å
12	H	24.8	Very low	27.8	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.787	72%	0.719	S	S	*	*			trans	-71.6	111.6	162.9	-89.6	10.4	0	0	0	107.9	L10 V14	L10-H12 PolarHBondContact O-N 3.24Å; H12-V14 PolarHBondContact O-N 2.87Å
13	E	25.8	Very low	28	Very low	186 Å²	186	131 Å²	131	87%	0.869	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-62.7	118.3	166.5	-69.5	-169.7	161.4	0	0	108.6	L11	L11-E13 PolarHBondContact O-N 3.12Å
14	V	27.9	Very low	28.4	Very low	46 Å²	46	127.7 Å²	127.7	28%	0.279	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-73.3	125.4	164.6	-178.3	0	0	0	0	107.4	H12 L16 V133 Q136	H12-V14 PolarHBondContact O-N 2.87Å; V14-L16 PolarHBondContact O-N 2.77Å; V14-V133 HydrophobicContact CB-CG2 4.36Å; V14-V133 HydrophobicContact CG2-CG2 4.46Å; V14-Q136 VanDerWaalsContact CG2-CD 3.49Å
15	P	25.8	Very low	28.9	Very low	85 Å²	85	127.4 Å²	127.4	55%	0.552	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-68.4	120	-176.1	24.6	-28.8	0	0	0	110.4	S17	P15-S17 VanDerWaalsContact C-N 3.29Å; P15-S17 PolarHBondContact O-N 2.68Å
16	L	30.6	Very low	29.6	Very low	101 Å²	101	123.4 Å²	123.4	53%	0.529	69%	0.688	S	S	.	*	S	Bend	trans	-61.9	91.9	158.4	-85.9	161.7	0	0	0	108.1	V14 M131 M146	V14-L16 PolarHBondContact O-N 2.77Å; L16-M131 HydrophobicContact CD2-CB 4.35Å; L16-M146 HydrophobicContact CD2-CE 3.62Å; L16-M146 HydrophobicContact CG-CE 4Å
17	S	31.7	Very low	30.3	Very low	68 Å²	68	125.9 Å²	125.9	48%	0.476	69%	0.69	S	S	.	*	S	Bend	trans	54.7	113.9	-177	-164	0	0	0	0	112.6	P15 Q19	P15-S17 VanDerWaalsContact C-N 3.29Å; P15-S17 PolarHBondContact O-N 2.68Å; S17-Q19 PolarHBondContact O-N 2.81Å
18	D	29.1	Very low	31.4	Very low	112 Å²	112	120.6 Å²	120.6	60%	0.599	68%	0.677	S	S	*	*			trans	-44.5	105	173.7	-133.4	-21.8	0	0	0	110.7	N20	D18-N20 PolarHBondContact O-N 3.04Å
19	Q	36.9	Very low	33	Very low	168 Å²	168	122.5 Å²	122.5	79%	0.785	67%	0.671	S	S	*	*	S	Bend	trans	-77.3	6.9	175.4	-69	-167.9	-8.4	0	0	111	S17	S17-Q19 PolarHBondContact O-N 2.81Å
20	N	29.4	Very low	34.8	Very low	135 Å²	135	122.8 Å²	122.8	72%	0.722	68%	0.675	S	S	*	*			trans	-140	66.4	177.3	-71.8	-44.8	0	0	0	110	D18 A22	D18-N20 PolarHBondContact O-N 3.04Å; N20-A22 PolarHBondContact O-N 3.11Å
21	E	28.5	Very low	37.3	Very low	165 Å²	165	118.7 Å²	118.7	77%	0.771	67%	0.671	S	S	*	*			trans	-58	113.6	148.1	-86.6	-171.8	162.4	0	0	106.7
22	A	27.3	Very low	40.1	Very low	82 Å²	82	116.7 Å²	116.7	68%	0.678	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-51.2	133.2	167.5	0	0	0	0	0	107.5	N20	N20-A22 PolarHBondContact O-N 3.11Å
23	P	31.6	Very low	43.2	Very low	100 Å²	100	111.6 Å²	111.6	65%	0.649	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-55.7	132.1	-179.4	22.6	-30.7	0	0	0	107.9	N25	P23-N25 PolarHBondContact O-N 3.15Å
24	P	34.9	Very low	46.3	Very low	105 Å²	105	105.8 Å²	105.8	68%	0.682	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-53.2	135.5	175.8	21.6	-30.9	0	0	0	107.6	T26	P24-T26 PolarHBondContact O-N 3.12Å
25	N	37.1	Very low	49.4	Very low	157 Å²	157	106.8 Å²	106.8	84%	0.84	61%	0.613	S	S	*	*			trans	-45.8	104.9	176.9	-89.6	-26.4	0	0	0	108.7	P23 H27	P23-N25 PolarHBondContact O-N 3.15Å; N25-H27 VanDerWaalsContact C-N 3.27Å; N25-H27 PolarHBondContact O-N 3.49Å
26	T	41.8	Very low	52.6	Low	92 Å²	92	107.8 Å²	107.8	56%	0.564	61%	0.614	S	S	*	*			trans	-83.3	77.1	-169.8	22.8	0	0	0	0	108.3	P24 S28 L34	P24-T26 PolarHBondContact O-N 3.12Å; T26-S28 PolarHBondContact O-N 3.41Å; T26-S28 VanDerWaalsContact O-N 3.14Å; T26-L34 HydrophobicContact CG2-CD2 4.11Å
27	H	42.2	Very low	55.6	Low	181 Å²	181	103.6 Å²	103.6	84%	0.838	59%	0.591	S	S	*	*			trans	-75.2	84.4	149.5	-72.7	-62	0	0	0	106.6	N25 I29	N25-H27 VanDerWaalsContact C-N 3.27Å; N25-H27 PolarHBondContact O-N 3.49Å; H27-I29 PolarHBondContact O-N 3.27Å
28	S	51.1	Low	58.4	Low	79 Å²	79	104.2 Å²	104.2	55%	0.552	60%	0.6	S	S	*	*			trans	-69.6	122.5	175.7	49	0	0	0	0	109.6	T26	T26-S28 PolarHBondContact O-N 3.41Å; T26-S28 VanDerWaalsContact O-N 3.14Å
29	I	59.1	Low	61.3	Low	102 Å²	102	101 Å²	101	52%	0.523	59%	0.587	S	S	.	*			trans	-68.3	127.8	164.7	-59.9	176.5	0	0	0	106.4	H27 G31 E32	H27-I29 PolarHBondContact O-N 3.27Å; I29-G31 PolarHBondContact O-N 2.84Å; I29-E32 HydrophobicContact CB-CG 4.4Å; I29-E32 PolarHBondContact O-N 3.02Å
30	P	64.6	Low	63.9	Low	131 Å²	131	93.3 Å²	93.3	85%	0.851	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	115.4	177.9	-23.3	32.3	0	0	0	110.6
31	G	75.9	Confident	67	Low	70 Å²	70	90.8 Å²	90.8	72%	0.722	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	109	-6	178.2	0	0	0	0	0	116.1	I29 L66	I29-G31 PolarHBondContact O-N 2.84Å; G31-L66 WeakPolarHBondContact O-CD1 3.29Å
32	E	85.6	Confident	70.3	Confident	116 Å²	116	83.3 Å²	83.3	54%	0.542	50%	0.5	S	S	.	.	S	Bend	trans	-100.5	144	175.3	-69.7	-174.5	173.9	0	0	112.5	I29	I29-E32 HydrophobicContact CB-CG 4.4Å; I29-E32 PolarHBondContact O-N 3.02Å
33	P	89.8	Confident	73.6	Confident	63 Å²	63	80 Å²	80	41%	0.409	47%	0.471	S	S	.	.			trans	-69.7	146	176.4	31	-34.9	0	0	0	111	Y35 Y37 D64 L66	P33-Y35 WeakPolarHBondContact CB-O 3.4Å; P33-Y35 PolarHBondContact O-N 2.9Å; P33-Y37 HydrophobicContact CB-CD2 4.09Å; P33-Y37 HydrophobicContact CB-CE2 4.1Å; P33-D64 WeakPolarHBondContact CA-OD2 3.41Å; P33-L66 HydrophobicContact CB-CB 4.15Å; P33-L66 HydrophobicContact CB-CD1 4.35Å
34	L	91.4	Very high	76.6	Confident	64 Å²	64	80.9 Å²	80.9	34%	0.335	47%	0.467	S	S	.	.	S	Bend	trans	-69.7	-10.5	177.9	-59.6	-177.5	0	0	0	113.2	T26 V60 D64	T26-L34 HydrophobicContact CG2-CD2 4.11Å; L34-V60 HydrophobicContact CB-CG1 3.62Å; L34-D64 HydrophobicContact CB-CB 4.2Å; L34-D64 HydrophobicContact CD1-CB 3.96Å; L34-D64 HydrophobicContact CG-CB 4.08Å; L34-D64 PolarHBondContact N-OD2 3.05Å
35	Y	92.4	Very high	79.4	Confident	67 Å²	67	79.7 Å²	79.7	26%	0.263	45%	0.452	S	S	.	.	S	Bend	trans	-146.7	147.1	176.2	-178.2	-90.9	0	0	0	109.4	P33 Y37 I40 I57	P33-Y35 WeakPolarHBondContact CB-O 3.4Å; P33-Y35 PolarHBondContact O-N 2.9Å; Y35-Y37 VanDerWaalsContact C-N 3.26Å; Y35-Y37 AromaticContact CD1-CD1 3.55Å; Y35-Y37 HydrophobicContact CD1-CD1 3.55Å; Y35-Y37 AromaticContact CD1-CE1 3.7Å; Y35-Y37 HydrophobicContact CD1-CE1 3.7Å; Y35-Y37 HydrophobicContact CD1-CG 4.11Å; Y35-Y37 HydrophobicContact CE1-CD1 4.35Å; Y35-Y37 HydrophobicContact CG-CD1 4.39Å; Y35-Y37 HydrophobicContact CG-CE1 4.12Å; Y35-Y37 VanDerWaalsContact O-CD2 3.31Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.39Å; Y35-Y37 PolarHBondContact O-N 3.31Å; Y35-I40 HydrophobicContact CE1-CD1 3.89Å; Y35-I40 HydrophobicContact CE1-CG1 4.03Å; Y35-I57 HydrophobicContact CD1-CG2 4.23Å; Y35-I57 HydrophobicContact CE1-CG2 4.11Å; Y35-I57 HydrophobicContact CE2-CD1 4.09Å; Y35-I57 HydrophobicContact CE2-CG1 4.04Å; Y35-I57 HydrophobicContact CE2-CG2 4.42Å; Y35-I57 HydrophobicContact CG-CG2 4.46Å; Y35-I57 WeakPolarHBondContact OH-CD1 3.49Å
36	N	93.2	Very high	82.3	Confident	105 Å²	105	72.2 Å²	72.2	56%	0.561	41%	0.412	S	S	*	.			trans	-73.9	77.3	174.3	-176.9	7.6	0	0	0	110.9	A38 S39	N36-A38 PolarHBondContact O-N 3.5Å; N36-A38 VanDerWaalsContact O-N 3.14Å; N36-A38 PolarHBondContact OD1-N 3.16Å; N36-S39 WeakPolarHBondContact O-CB 3.31Å; N36-S39 PolarHBondContact O-N 2.89Å; N36-S39 PolarHBondContact O-OG 3.48Å
37	Y	93.3	Very high	85	Confident	13 Å²	13	67.9 Å²	67.9	5%	0.051	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-62.4	-22.9	-177.9	-63.9	-64.9	0	0	0	113.8	P33 Y35 S39 I40 C61 D64 C67 P68 Y69	P33-Y37 HydrophobicContact CB-CD2 4.09Å; P33-Y37 HydrophobicContact CB-CE2 4.1Å; Y35-Y37 VanDerWaalsContact C-N 3.26Å; Y35-Y37 AromaticContact CD1-CD1 3.55Å; Y35-Y37 HydrophobicContact CD1-CD1 3.55Å; Y35-Y37 AromaticContact CD1-CE1 3.7Å; Y35-Y37 HydrophobicContact CD1-CE1 3.7Å; Y35-Y37 HydrophobicContact CD1-CG 4.11Å; Y35-Y37 HydrophobicContact CE1-CD1 4.35Å; Y35-Y37 HydrophobicContact CG-CD1 4.39Å; Y35-Y37 HydrophobicContact CG-CE1 4.12Å; Y35-Y37 VanDerWaalsContact O-CD2 3.31Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.39Å; Y35-Y37 PolarHBondContact O-N 3.31Å; Y37-S39 PolarHBondContact O-N 3.15Å; Y37-I40 HydrophobicContact CD1-CD1 4.22Å; Y37-I40 PolarHBondContact O-N 2.96Å; Y37-C61 HydrophobicContact CE1-CB 3.99Å; Y37-C61 WeakPolarHBondContact OH-CA 3.35Å; Y37-C61 PolarHBondContact OH-N 3.32Å; Y37-D64 HydrophobicContact CE2-CB 4.45Å; Y37-D64 WeakPolarHBondContact CE2-OD2 3.28Å; Y37-C67 HydrophobicContact CD2-CB 4.43Å; Y37-C67 HydrophobicContact CE1-CB 4.17Å; Y37-C67 VanDerWaalsContact CE1-SG 3.52Å; Y37-C67 HydrophobicContact CE2-CB 3.74Å; Y37-P68 HydrophobicContact CG-CG 4.26Å; Y37-Y69 AromaticContact CD1-CD2 3.97Å; Y37-Y69 HydrophobicContact CD1-CD2 3.97Å; Y37-Y69 HydrophobicContact CD1-CE2 4.08Å; Y37-Y69 HydrophobicContact CG-CE2 4.38Å; Y37-Y69 PolarHBondContact O-OH 2.89Å
38	A	90.4	Very high	87.6	Confident	81 Å²	81	59.6 Å²	59.6	67%	0.669	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.7	-24.4	175.7	0	0	0	0	0	112.4	N36 I40	N36-A38 PolarHBondContact O-N 3.5Å; N36-A38 VanDerWaalsContact O-N 3.14Å; N36-A38 PolarHBondContact OD1-N 3.16Å; A38-I40 VanDerWaalsContact C-N 3.29Å; A38-I40 PolarHBondContact O-N 3.38Å
39	S	89.9	Confident	89.8	Confident	46 Å²	46	56.6 Å²	56.6	32%	0.322	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-72.7	-18.8	178.1	72.6	0	0	0	0	114	N36 Y37	N36-S39 WeakPolarHBondContact O-CB 3.31Å; N36-S39 PolarHBondContact O-N 2.89Å; N36-S39 PolarHBondContact O-OG 3.48Å; Y37-S39 PolarHBondContact O-N 3.15Å
40	I	92.6	Very high	91.7	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-49.2	179.6	-67.5	169.1	0	0	0	109	Y35 Y37 A38 L42 I47 F50 I57 Y69	Y35-I40 HydrophobicContact CE1-CD1 3.89Å; Y35-I40 HydrophobicContact CE1-CG1 4.03Å; Y37-I40 HydrophobicContact CD1-CD1 4.22Å; Y37-I40 PolarHBondContact O-N 2.96Å; A38-I40 VanDerWaalsContact C-N 3.29Å; A38-I40 PolarHBondContact O-N 3.38Å; I40-L42 HydrophobicContact CG2-CB 4.13Å; I40-L42 HydrophobicContact CG2-CD1 4.02Å; I40-L42 HydrophobicContact CG2-CG 3.99Å; I40-L42 WeakPolarHBondContact O-CG 3.5Å; I40-L42 PolarHBondContact O-N 2.86Å; I40-I47 HydrophobicContact CG2-CD1 3.72Å; I40-F50 HydrophobicContact CD1-CD1 4.39Å; I40-F50 HydrophobicContact CD1-CE1 3.68Å; I40-F50 HydrophobicContact CD1-CZ 4.43Å; I40-F50 HydrophobicContact CG1-CE1 3.79Å; I40-F50 HydrophobicContact CG1-CZ 4.1Å; I40-F50 HydrophobicContact CG2-CD1 4.12Å; I40-F50 HydrophobicContact CG2-CE1 4.06Å; I40-I57 HydrophobicContact CD1-CG2 4.2Å; I40-Y69 HydrophobicContact CB-CE2 4.34Å; I40-Y69 HydrophobicContact CD1-CD2 4.14Å; I40-Y69 HydrophobicContact CD1-CE2 3.71Å
41	H	94.1	Very high	93.2	Very high	82 Å²	82	46.2 Å²	46.2	38%	0.38	26%	0.263	S	S	.	.			trans	34	55	174.4	-177.6	-151	0	0	0	113.5	H351 R352	H41-H351 AromaticContact CD2-CD2 3.89Å; H41-H351 AromaticContact CD2-NE2 3.31Å; H41-H351 PolarHBondContact CD2-NE2 3.46Å; H41-H351 VanDerWaalsContact CD2-NE2 3.31Å; H41-H351 AromaticContact NE2-NE2 3.78Å; H41-R352 VanDerWaalsContact CG-NH1 3.33Å; H41-R352 PolarHBondContact ND1-NH1 3.1Å; H41-R352 VanDerWaalsContact ND1-NH1 3.18Å; H41-R352 WeakPolarHBondContact O-CD 3.48Å; H41-R352 PolarHBondContact O-NH1 2.93Å
42	L	97.1	Very high	94.2	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	23%	0.231	C	C	.	.			trans	-113.1	155.7	178	-73.2	-180	0	0	0	110.4	I40 H46 I47 F50 F266 H351	I40-L42 HydrophobicContact CG2-CB 4.13Å; I40-L42 HydrophobicContact CG2-CD1 4.02Å; I40-L42 HydrophobicContact CG2-CG 3.99Å; I40-L42 WeakPolarHBondContact O-CG 3.5Å; I40-L42 PolarHBondContact O-N 2.86Å; L42-H46 HydrophobicContact CB-CB 4.35Å; L42-I47 HydrophobicContact CB-CD1 3.94Å; L42-F50 HydrophobicContact CD1-CB 3.76Å; L42-F50 HydrophobicContact CD1-CD2 3.69Å; L42-F50 HydrophobicContact CD1-CE2 4.46Å; L42-F50 HydrophobicContact CD1-CG 3.74Å; L42-F266 HydrophobicContact CD1-CD2 4.37Å; L42-F266 HydrophobicContact CD1-CG 4.46Å; L42-F266 HydrophobicContact CD2-CB 4.01Å; L42-F266 HydrophobicContact CD2-CD1 4.05Å; L42-F266 HydrophobicContact CD2-CG 4.01Å; L42-H351 VanDerWaalsContact C-NE2 3.32Å; L42-H351 PolarHBondContact O-NE2 3.12Å
43	P	96.9	Very high	94.7	Very high	11 Å²	11	40 Å²	40	7%	0.071	22%	0.216	C	C	.	.			trans	-50.9	141.9	169.9	-25	33.1	0	0	0	112.1	E45 H46 I47 Q347 H351	P43-E45 PolarHBondContact O-N 2.95Å; P43-E45 VanDerWaalsContact O-N 3.13Å; P43-H46 HydrophobicContact CB-CB 4.46Å; P43-H46 WeakPolarHBondContact CD-ND1 3.36Å; P43-H46 WeakPolarHBondContact O-CB 3.4Å; P43-H46 PolarHBondContact O-N 2.86Å; P43-I47 PolarHBondContact O-N 3.46Å; P43-Q347 HydrophobicContact CG-CB 4.25Å; P43-Q347 WeakPolarHBondContact CG-O 3.46Å; P43-H351 HydrophobicContact CB-CB 4.42Å; P43-H351 HydrophobicContact CG-CB 3.7Å
44	E	94.6	Very high	95	Very high	119 Å²	119	37.4 Å²	37.4	56%	0.556	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-35	-177.6	-176.7	175.5	-177.7	0	0	112.8	H46 I47 K71	E44-H46 PolarHBondContact O-N 2.8Å; E44-I47 PolarHBondContact O-N 2.84Å; E44-K71 VanDerWaalsContact OE1-CE 3.28Å; E44-K71 WeakPolarHBondContact OE1-CE 3.48Å; E44-K71 IonicContact OE1-NZ 2.63Å; E44-K71 PolarHBondContact OE1-NZ 3Å
45	E	95.1	Very high	95.2	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.8	177.1	-162.3	180	170	0	0	112.5	P43 F49 F92 R343 Q347	P43-E45 PolarHBondContact O-N 2.95Å; P43-E45 VanDerWaalsContact O-N 3.13Å; E45-F49 WeakPolarHBondContact O-CD2 3.38Å; E45-F49 WeakPolarHBondContact O-CE2 3.27Å; E45-F92 HydrophobicContact CG-CE2 3.94Å; E45-F92 HydrophobicContact CG-CZ 4.31Å; E45-R343 IonicContact OE1-CZ 2.62Å; E45-R343 VanDerWaalsContact OE1-CZ 3.31Å; E45-R343 IonicContact OE1-NH1 2.65Å; E45-R343 PolarHBondContact OE1-NH1 3.37Å; E45-R343 IonicContact OE1-NH2 3.84Å; E45-R343 PolarHBondContact OE1-NH2 3.35Å; E45-R343 IonicContact OE2-CZ 3.14Å; E45-R343 IonicContact OE2-NH2 2.88Å; E45-R343 PolarHBondContact OE2-NH2 3.04Å; E45-Q347 PolarHBondContact OE2-NE2 3Å
46	H	97.8	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.6	-176.8	-62.1	-173.1	0	0	0	112.6	L42 P43 E44 F49 F50 W80 F92 A344 Q347	L42-H46 HydrophobicContact CB-CB 4.35Å; P43-H46 HydrophobicContact CB-CB 4.46Å; P43-H46 WeakPolarHBondContact CD-ND1 3.36Å; P43-H46 WeakPolarHBondContact O-CB 3.4Å; P43-H46 PolarHBondContact O-N 2.86Å; E44-H46 PolarHBondContact O-N 2.8Å; H46-F49 WeakPolarHBondContact O-CB 3.37Å; H46-F49 PolarHBondContact O-N 2.77Å; H46-F49 VanDerWaalsContact O-N 3.09Å; H46-F50 PolarHBondContact O-N 2.63Å; H46-W80 HydrophobicContact CB-CH2 3.84Å; H46-W80 HydrophobicContact CB-CZ2 4.03Å; H46-W80 AromaticContact CG-CH2 3.66Å; H46-W80 AromaticContact ND1-CH2 3.9Å; H46-F92 AromaticContact CD2-CE2 3.68Å; H46-F92 AromaticContact CD2-CZ 3.74Å; H46-F92 AromaticContact NE2-CZ 3.79Å; H46-A344 PolarHBondContact CE1-O 3.32Å; H46-A344 VanDerWaalsContact CE1-O 3.25Å; H46-Q347 PolarHBondContact NE2-OE1 2.95Å
47	I	97.8	Very high	95.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-54.6	-46.7	-173.8	-60	-63.1	0	0	0	113.5	I40 L42 P43 E44 F49 F50 L51 Y69 H72	I40-I47 HydrophobicContact CG2-CD1 3.72Å; L42-I47 HydrophobicContact CB-CD1 3.94Å; P43-I47 PolarHBondContact O-N 3.46Å; E44-I47 PolarHBondContact O-N 2.84Å; I47-F49 VanDerWaalsContact C-N 3.29Å; I47-F49 PolarHBondContact O-N 2.84Å; I47-F50 PolarHBondContact O-N 3.3Å; I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.19Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 VanDerWaalsContact O-CG 3.3Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 3.05Å; I47-Y69 HydrophobicContact CD1-CD1 4.23Å; I47-Y69 HydrophobicContact CD1-CE1 3.8Å; I47-Y69 HydrophobicContact CG1-CD1 4.16Å; I47-Y69 HydrophobicContact CG1-CE1 4.06Å; I47-Y69 HydrophobicContact CG2-CD1 3.69Å; I47-Y69 HydrophobicContact CG2-CE1 4.35Å; I47-Y69 HydrophobicContact CG2-CG 3.83Å; I47-H72 HydrophobicContact CG2-CB 3.86Å
48	P	97.1	Very high	95.6	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.045	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-39.9	177.9	-24.4	34.9	0	0	0	113.6	L51 H52 H72 K75	P48-L51 PolarHBondContact O-N 3.14Å; P48-H52 WeakPolarHBondContact O-CB 3.12Å; P48-H52 PolarHBondContact O-N 3.44Å; P48-H72 HydrophobicContact CG-CB 4.15Å; P48-K75 HydrophobicContact CB-CB 3.85Å; P48-K75 HydrophobicContact CG-CB 4.14Å; P48-K75 HydrophobicContact CG-CD 4.25Å
49	F	97.7	Very high	95.9	Very high	16 Å²	16	35.4 Å²	35.4	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-43.9	-177.9	-56.9	-96.6	0	0	0	110.6	E45 H46 I47 L51 H52 N53 Y78 C79 W80 F92	E45-F49 WeakPolarHBondContact O-CD2 3.38Å; E45-F49 WeakPolarHBondContact O-CE2 3.27Å; H46-F49 WeakPolarHBondContact O-CB 3.37Å; H46-F49 PolarHBondContact O-N 2.77Å; H46-F49 VanDerWaalsContact O-N 3.09Å; I47-F49 VanDerWaalsContact C-N 3.29Å; I47-F49 PolarHBondContact O-N 2.84Å; F49-L51 PolarHBondContact O-N 2.63Å; F49-H52 WeakPolarHBondContact O-CB 3.34Å; F49-H52 PolarHBondContact O-N 3.28Å; F49-N53 PolarHBondContact O-N 3.19Å; F49-N53 VanDerWaalsContact O-N 3.09Å; F49-Y78 HydrophobicContact CE1-CD1 4.46Å; F49-Y78 HydrophobicContact CZ-CD1 4.2Å; F49-Y78 HydrophobicContact CZ-CG 4.34Å; F49-C79 VanDerWaalsContact CD1-O 3.23Å; F49-C79 WeakPolarHBondContact CD1-O 3.36Å; F49-C79 WeakPolarHBondContact CE1-O 3.45Å; F49-W80 HydrophobicContact CB-CD2 3.72Å; F49-W80 VanDerWaalsContact CB-CE2 3.43Å; F49-W80 HydrophobicContact CB-CE3 4.25Å; F49-W80 HydrophobicContact CB-CG 4.12Å; F49-W80 HydrophobicContact CB-CH2 4.32Å; F49-W80 HydrophobicContact CB-CZ2 3.78Å; F49-W80 HydrophobicContact CG-CD2 4.47Å; F49-F92 HydrophobicContact CD1-CB 3.76Å; F49-F92 AromaticContact CD1-CD2 3.87Å; F49-F92 HydrophobicContact CD1-CD2 3.87Å; F49-F92 HydrophobicContact CD1-CG 4.34Å; F49-F92 AromaticContact CD2-CD2 3.63Å; F49-F92 HydrophobicContact CD2-CD2 3.63Å; F49-F92 HydrophobicContact CD2-CE2 4.15Å; F49-F92 VanDerWaalsContact CE1-CA 3.46Å; F49-F92 HydrophobicContact CE1-CB 3.62Å; F49-F92 AromaticContact CE1-CD2 3.73Å; F49-F92 HydrophobicContact CE1-CD2 3.73Å; F49-F92 HydrophobicContact CE1-CG 4.17Å; F49-F92 AromaticContact CE2-CD2 3.45Å; F49-F92 HydrophobicContact CE2-CD2 3.45Å; F49-F92 VanDerWaalsContact CE2-CD2 3.45Å; F49-F92 AromaticContact CE2-CE2 3.91Å; F49-F92 HydrophobicContact CE2-CE2 3.91Å; F49-F92 HydrophobicContact CG-CB 4.48Å; F49-F92 AromaticContact CG-CD2 3.87Å; F49-F92 HydrophobicContact CG-CD2 3.87Å; F49-F92 HydrophobicContact CZ-CB 4.2Å; F49-F92 AromaticContact CZ-CD2 3.5Å; F49-F92 HydrophobicContact CZ-CD2 3.5Å; F49-F92 HydrophobicContact CZ-CE2 4.29Å; F49-F92 HydrophobicContact CZ-CG 4.28Å
50	F	97.6	Very high	96.2	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-57.9	-46.9	171.7	173.5	-96.1	0	0	0	112.3	I40 L42 H46 I47 H52 N53 N54 I57 F266	I40-F50 HydrophobicContact CD1-CD1 4.39Å; I40-F50 HydrophobicContact CD1-CE1 3.68Å; I40-F50 HydrophobicContact CD1-CZ 4.43Å; I40-F50 HydrophobicContact CG1-CE1 3.79Å; I40-F50 HydrophobicContact CG1-CZ 4.1Å; I40-F50 HydrophobicContact CG2-CD1 4.12Å; I40-F50 HydrophobicContact CG2-CE1 4.06Å; L42-F50 HydrophobicContact CD1-CB 3.76Å; L42-F50 HydrophobicContact CD1-CD2 3.69Å; L42-F50 HydrophobicContact CD1-CE2 4.46Å; L42-F50 HydrophobicContact CD1-CG 3.74Å; H46-F50 PolarHBondContact O-N 2.63Å; I47-F50 PolarHBondContact O-N 3.3Å; F50-H52 VanDerWaalsContact C-N 3.33Å; F50-H52 PolarHBondContact O-N 2.83Å; F50-N53 PolarHBondContact O-N 3.16Å; F50-N54 WeakPolarHBondContact CD2-ND2 3.37Å; F50-N54 HydrophobicContact CE1-CB 4.36Å; F50-N54 VanDerWaalsContact CE2-ND2 3.3Å; F50-N54 WeakPolarHBondContact CE2-ND2 2.81Å; F50-N54 HydrophobicContact CZ-CB 4.28Å; F50-N54 WeakPolarHBondContact O-CB 3.28Å; F50-N54 PolarHBondContact O-N 3.28Å; F50-N54 PolarHBondContact O-ND2 3.38Å; F50-I57 HydrophobicContact CE1-CD1 3.74Å; F50-I57 HydrophobicContact CZ-CD1 3.56Å; F50-F266 AromaticContact CD2-CD2 3.94Å; F50-F266 HydrophobicContact CD2-CD2 3.94Å; F50-F266 HydrophobicContact CD2-CE2 4.16Å; F50-F266 HydrophobicContact CE2-CD2 4.06Å
51	L	97.2	Very high	96.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.6	-28.7	179.3	-68.3	176.6	0	0	0	112.8	I47 P48 F49 N54 I57 A58 H72 L73 L76	I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.19Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 VanDerWaalsContact O-CG 3.3Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 3.05Å; P48-L51 PolarHBondContact O-N 3.14Å; F49-L51 PolarHBondContact O-N 2.63Å; L51-N54 CarbonylContact O-C 3.58Å; L51-I57 HydrophobicContact CD2-CB 4.44Å; L51-I57 HydrophobicContact CD2-CG2 4.07Å; L51-A58 HydrophobicContact CB-CB 4.23Å; L51-A58 HydrophobicContact CD2-CB 4.33Å; L51-H72 HydrophobicContact CD1-CB 4.15Å; L51-L73 HydrophobicContact CD1-CD2 4.12Å; L51-L76 HydrophobicContact CB-CD2 3.73Å
52	H	96.6	Very high	96.5	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-46.6	170.7	179.6	113.4	0	0	0	111.1	P48 F49 F50 R55 L76 Y78 E83	P48-H52 WeakPolarHBondContact O-CB 3.12Å; P48-H52 PolarHBondContact O-N 3.44Å; F49-H52 WeakPolarHBondContact O-CB 3.34Å; F49-H52 PolarHBondContact O-N 3.28Å; F50-H52 VanDerWaalsContact C-N 3.33Å; F50-H52 PolarHBondContact O-N 2.83Å; H52-R55 PolarHBondContact CE1-NH2 3.48Å; H52-R55 VanDerWaalsContact CG-NH2 3.31Å; H52-R55 PolarHBondContact ND1-NH2 3.25Å; H52-R55 WeakPolarHBondContact O-CD 3.41Å; H52-R55 WeakPolarHBondContact O-CG 3.2Å; H52-R55 PolarHBondContact O-NE 3.3Å; H52-L76 PolarHBondContact ND1-O 2.84Å; H52-Y78 WeakPolarHBondContact CB-O 3.35Å; H52-Y78 VanDerWaalsContact CG-O 3.32Å; H52-Y78 PolarHBondContact ND1-O 3.14Å; H52-E83 IonicContact CD2-OE1 2.72Å
53	N	96.3	Very high	96.4	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-31.7	179	-157.7	42.8	0	0	0	111.9	F49 F50 Y82 E83 N264	F49-N53 PolarHBondContact O-N 3.19Å; F49-N53 VanDerWaalsContact O-N 3.09Å; F50-N53 PolarHBondContact O-N 3.16Å; N53-Y82 PolarHBondContact ND2-OH 2.78Å; N53-E83 WeakPolarHBondContact OD1-CG 3.41Å; N53-N264 VanDerWaalsContact ND2-CG 3.32Å; N53-N264 PolarHBondContact ND2-OD1 3.08Å
54	N	96.8	Very high	96.3	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.048	22%	0.215	C	C	.	.			trans	-109.3	67.5	-177.8	-64.5	-76.7	0	0	0	112.2	F50 L51 H56 I57 A58 N264	F50-N54 WeakPolarHBondContact CD2-ND2 3.37Å; F50-N54 HydrophobicContact CE1-CB 4.36Å; F50-N54 VanDerWaalsContact CE2-ND2 3.3Å; F50-N54 WeakPolarHBondContact CE2-ND2 2.81Å; F50-N54 HydrophobicContact CZ-CB 4.28Å; F50-N54 WeakPolarHBondContact O-CB 3.28Å; F50-N54 PolarHBondContact O-N 3.28Å; F50-N54 PolarHBondContact O-ND2 3.38Å; L51-N54 CarbonylContact O-C 3.58Å; N54-H56 PolarHBondContact O-N 2.95Å; N54-I57 HydrophobicContact CB-CB 4.37Å; N54-I57 HydrophobicContact CB-CD1 3.82Å; N54-I57 HydrophobicContact CB-CG1 4.08Å; N54-I57 PolarHBondContact O-N 3.25Å; N54-I57 VanDerWaalsContact O-N 3.11Å; N54-A58 PolarHBondContact O-N 3.18Å; N54-A58 VanDerWaalsContact O-N 3.14Å; N54-N264 PolarHBondContact ND2-OD1 2.93Å; N54-N264 PolarHBondContact OD1-ND2 2.85Å
55	R	94.8	Very high	96.3	Very high	109 Å²	109	45 Å²	45	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-29.9	-175.6	-65.1	-62.5	-179.6	163.6	-5.5	114.6	H52 A58 T59 L76	H52-R55 PolarHBondContact CE1-NH2 3.48Å; H52-R55 VanDerWaalsContact CG-NH2 3.31Å; H52-R55 PolarHBondContact ND1-NH2 3.25Å; H52-R55 WeakPolarHBondContact O-CD 3.41Å; H52-R55 WeakPolarHBondContact O-CG 3.2Å; H52-R55 PolarHBondContact O-NE 3.3Å; R55-A58 PolarHBondContact O-N 2.96Å; R55-T59 WeakPolarHBondContact O-CB 3.44Å; R55-T59 PolarHBondContact O-N 3Å; R55-T59 PolarHBondContact O-OG1 3.43Å; R55-L76 PolarHBondContact NH2-O 3.04Å
56	H	95	Very high	96.3	Very high	96 Å²	96	45.4 Å²	45.4	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-47	175.4	64.4	-82.9	0	0	0	110.6	N54 A58 T59 V60	N54-H56 PolarHBondContact O-N 2.95Å; H56-A58 PolarHBondContact O-N 3.09Å; H56-T59 WeakPolarHBondContact O-CB 3.27Å; H56-T59 PolarHBondContact O-N 3.35Å; H56-T59 VanDerWaalsContact O-N 3.15Å; H56-V60 WeakPolarHBondContact O-CG2 3.48Å; H56-V60 PolarHBondContact O-N 2.74Å
57	I	96.3	Very high	96.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-43.8	175.3	-53.4	179.8	0	0	0	110.9	Y35 I40 F50 L51 N54 T59 V60 C61	Y35-I57 HydrophobicContact CD1-CG2 4.23Å; Y35-I57 HydrophobicContact CE1-CG2 4.11Å; Y35-I57 HydrophobicContact CE2-CD1 4.09Å; Y35-I57 HydrophobicContact CE2-CG1 4.04Å; Y35-I57 HydrophobicContact CE2-CG2 4.42Å; Y35-I57 HydrophobicContact CG-CG2 4.46Å; Y35-I57 WeakPolarHBondContact OH-CD1 3.49Å; I40-I57 HydrophobicContact CD1-CG2 4.2Å; F50-I57 HydrophobicContact CE1-CD1 3.74Å; F50-I57 HydrophobicContact CZ-CD1 3.56Å; L51-I57 HydrophobicContact CD2-CB 4.44Å; L51-I57 HydrophobicContact CD2-CG2 4.07Å; N54-I57 HydrophobicContact CB-CB 4.37Å; N54-I57 HydrophobicContact CB-CD1 3.82Å; N54-I57 HydrophobicContact CB-CG1 4.08Å; N54-I57 PolarHBondContact O-N 3.25Å; N54-I57 VanDerWaalsContact O-N 3.11Å; I57-T59 PolarHBondContact O-N 2.82Å; I57-V60 PolarHBondContact O-N 2.7Å; I57-C61 WeakPolarHBondContact O-CB 3.5Å; I57-C61 PolarHBondContact O-N 3.18Å
58	A	96.3	Very high	96.1	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-37.5	176.4	0	0	0	0	0	112	L51 N54 R55 H56 K62 L73 L76	L51-A58 HydrophobicContact CB-CB 4.23Å; L51-A58 HydrophobicContact CD2-CB 4.33Å; N54-A58 PolarHBondContact O-N 3.18Å; N54-A58 VanDerWaalsContact O-N 3.14Å; R55-A58 PolarHBondContact O-N 2.96Å; H56-A58 PolarHBondContact O-N 3.09Å; A58-K62 WeakPolarHBondContact O-CB 3.43Å; A58-K62 PolarHBondContact O-N 3.37Å; A58-L73 HydrophobicContact CB-CD2 4.02Å; A58-L76 HydrophobicContact CB-CD1 4.41Å; A58-L76 HydrophobicContact CB-CD2 4.14Å
59	T	96.5	Very high	96	Very high	74 Å²	74	51 Å²	51	45%	0.454	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-41.9	177	-59.4	0	0	0	0	111.9	R55 H56 I57 K62 K63	R55-T59 WeakPolarHBondContact O-CB 3.44Å; R55-T59 PolarHBondContact O-N 3Å; R55-T59 PolarHBondContact O-OG1 3.43Å; H56-T59 WeakPolarHBondContact O-CB 3.27Å; H56-T59 PolarHBondContact O-N 3.35Å; H56-T59 VanDerWaalsContact O-N 3.15Å; I57-T59 PolarHBondContact O-N 2.82Å; T59-K62 PolarHBondContact O-N 3.34Å; T59-K63 PolarHBondContact O-N 2.85Å
60	V	96.6	Very high	95.9	Very high	41 Å²	41	54.5 Å²	54.5	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-49	174	178.6	0	0	0	0	110.3	L34 H56 I57 K62 K63 D64	L34-V60 HydrophobicContact CB-CG1 3.62Å; H56-V60 WeakPolarHBondContact O-CG2 3.48Å; H56-V60 PolarHBondContact O-N 2.74Å; I57-V60 PolarHBondContact O-N 2.7Å; V60-K62 VanDerWaalsContact C-N 3.26Å; V60-K62 PolarHBondContact O-N 3.02Å; V60-K63 PolarHBondContact O-N 2.94Å; V60-D64 WeakPolarHBondContact O-CB 3.28Å; V60-D64 PolarHBondContact O-N 3.29Å
61	C	96.3	Very high	95.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-35.1	177.1	176.5	0	0	0	0	114	Y37 I57 K63 C67 L73	Y37-C61 HydrophobicContact CE1-CB 3.99Å; Y37-C61 WeakPolarHBondContact OH-CA 3.35Å; Y37-C61 PolarHBondContact OH-N 3.32Å; I57-C61 WeakPolarHBondContact O-CB 3.5Å; I57-C61 PolarHBondContact O-N 3.18Å; C61-K63 VanDerWaalsContact C-N 3.32Å; C61-K63 PolarHBondContact O-N 3.05Å; C61-C67 HydrophobicContact CB-CB 3.84Å; C61-C67 WeakPolarHBondContact CB-SG 3.44Å; C61-C67 WeakPolarHBondContact O-CB 3.4Å; C61-C67 WeakPolarHBondContact SG-CB 3.4Å; C61-C67 CovalentContact SG-SG 2.02Å; C61-C67 PolarHBondContact SG-SG 3.46Å; C61-L73 HydrophobicContact CB-CD2 4.4Å
62	K	96	Very high	95.6	Very high	162 Å²	162	60.2 Å²	60.2	70%	0.704	30%	0.298	S	S	*	.	H	α-helix	trans	-64.1	-38.4	176.3	-173.1	176.5	-180	178.8	0	112.3	A58 T59 V60 L73	A58-K62 WeakPolarHBondContact O-CB 3.43Å; A58-K62 PolarHBondContact O-N 3.37Å; T59-K62 PolarHBondContact O-N 3.34Å; V60-K62 VanDerWaalsContact C-N 3.26Å; V60-K62 PolarHBondContact O-N 3.02Å; K62-L73 HydrophobicContact CB-CD1 3.98Å; K62-L73 HydrophobicContact CG-CD1 4.47Å
63	K	95.2	Very high	95.5	Very high	164 Å²	164	61.2 Å²	61.2	71%	0.713	30%	0.304	S	S	*	.	H	α-helix	trans	-83.3	-33.2	-177.7	-66.5	175.3	-179.1	178.6	0	112.2	T59 V60 C61	T59-K63 PolarHBondContact O-N 2.85Å; V60-K63 PolarHBondContact O-N 2.94Å; C61-K63 VanDerWaalsContact C-N 3.32Å; C61-K63 PolarHBondContact O-N 3.05Å
64	D	95.6	Very high	95.3	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.032	33%	0.332	C	S	.	.			trans	-73.7	125.5	-177.8	-166.8	-16.7	0	0	0	111.7	P33 L34 Y37 V60 L66 C67 K70	P33-D64 WeakPolarHBondContact CA-OD2 3.41Å; L34-D64 HydrophobicContact CB-CB 4.2Å; L34-D64 HydrophobicContact CD1-CB 3.96Å; L34-D64 HydrophobicContact CG-CB 4.08Å; L34-D64 PolarHBondContact N-OD2 3.05Å; Y37-D64 HydrophobicContact CE2-CB 4.45Å; Y37-D64 WeakPolarHBondContact CE2-OD2 3.28Å; V60-D64 WeakPolarHBondContact O-CB 3.28Å; V60-D64 PolarHBondContact O-N 3.29Å; D64-L66 PolarHBondContact O-N 3.23Å; D64-L66 WeakPolarHBondContact OD1-CB 3.41Å; D64-L66 PolarHBondContact OD1-N 3.16Å; D64-C67 HydrophobicContact CB-CB 4.31Å; D64-K70 WeakPolarHBondContact O-CE 3.45Å; D64-K70 PolarHBondContact O-NZ 2.79Å
65	S	93.8	Very high	95.1	Very high	100 Å²	100	72.2 Å²	72.2	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.5	172.5	48.3	0	0	0	0	113.4
66	L	95.3	Very high	95	Very high	89 Å²	89	69 Å²	69	47%	0.466	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.6	-174.9	-60.2	176.1	0	0	0	113.7	G31 P33 D64 P68	G31-L66 WeakPolarHBondContact O-CD1 3.29Å; P33-L66 HydrophobicContact CB-CB 4.15Å; P33-L66 HydrophobicContact CB-CD1 4.35Å; D64-L66 PolarHBondContact O-N 3.23Å; D64-L66 WeakPolarHBondContact OD1-CB 3.41Å; D64-L66 PolarHBondContact OD1-N 3.16Å; L66-P68 WeakPolarHBondContact O-CD 3.38Å
67	C	95.4	Very high	95	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.054	34%	0.344	C	S	.	.			trans	-63.3	121.5	178.5	-176.9	0	0	0	0	111.7	Y37 C61 D64 Y69 K70	Y37-C67 HydrophobicContact CD2-CB 4.43Å; Y37-C67 HydrophobicContact CE1-CB 4.17Å; Y37-C67 VanDerWaalsContact CE1-SG 3.52Å; Y37-C67 HydrophobicContact CE2-CB 3.74Å; C61-C67 HydrophobicContact CB-CB 3.84Å; C61-C67 WeakPolarHBondContact CB-SG 3.44Å; C61-C67 WeakPolarHBondContact O-CB 3.4Å; C61-C67 WeakPolarHBondContact SG-CB 3.4Å; C61-C67 CovalentContact SG-SG 2.02Å; C61-C67 PolarHBondContact SG-SG 3.46Å; D64-C67 HydrophobicContact CB-CB 4.31Å; C67-Y69 PolarHBondContact O-N 3.47Å; C67-Y69 PolarHBondContact SG-N 2.91Å; C67-Y69 VanDerWaalsContact SG-N 3.4Å; C67-K70 HydrophobicContact CB-CG 4.28Å
68	P	95.6	Very high	95.1	Very high	79 Å²	79	73.3 Å²	73.3	51%	0.513	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.2	179.5	30.6	-34.7	0	0	0	112.7	Y37 L66	Y37-P68 HydrophobicContact CG-CG 4.26Å; L66-P68 WeakPolarHBondContact O-CD 3.38Å
69	Y	95.9	Very high	95.1	Very high	39 Å²	39	73.1 Å²	73.1	15%	0.153	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	13.9	-170.9	-51.9	-57.9	0	0	0	114.6	Y37 I40 I47 C67 K71 H72	Y37-Y69 AromaticContact CD1-CD2 3.97Å; Y37-Y69 HydrophobicContact CD1-CD2 3.97Å; Y37-Y69 HydrophobicContact CD1-CE2 4.08Å; Y37-Y69 HydrophobicContact CG-CE2 4.38Å; Y37-Y69 PolarHBondContact O-OH 2.89Å; I40-Y69 HydrophobicContact CB-CE2 4.34Å; I40-Y69 HydrophobicContact CD1-CD2 4.14Å; I40-Y69 HydrophobicContact CD1-CE2 3.71Å; I47-Y69 HydrophobicContact CD1-CD1 4.23Å; I47-Y69 HydrophobicContact CD1-CE1 3.8Å; I47-Y69 HydrophobicContact CG1-CD1 4.16Å; I47-Y69 HydrophobicContact CG1-CE1 4.06Å; I47-Y69 HydrophobicContact CG2-CD1 3.69Å; I47-Y69 HydrophobicContact CG2-CE1 4.35Å; I47-Y69 HydrophobicContact CG2-CG 3.83Å; C67-Y69 PolarHBondContact O-N 3.47Å; C67-Y69 PolarHBondContact SG-N 2.91Å; C67-Y69 VanDerWaalsContact SG-N 3.4Å; Y69-K71 PolarHBondContact O-N 3.41Å; Y69-K71 VanDerWaalsContact O-N 3.16Å; Y69-H72 WeakPolarHBondContact O-CB 3.45Å; Y69-H72 PolarHBondContact O-N 2.72Å
70	K	94.6	Very high	95.1	Very high	91 Å²	91	69.7 Å²	69.7	40%	0.396	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-52.7	-40.8	-177.9	-72.5	-166.3	-177.1	-150.3	0	113.6	D64 C67 H72 L73	D64-K70 WeakPolarHBondContact O-CE 3.45Å; D64-K70 PolarHBondContact O-NZ 2.79Å; C67-K70 HydrophobicContact CB-CG 4.28Å; K70-H72 PolarHBondContact O-N 3.48Å; K70-H72 VanDerWaalsContact O-N 3.14Å; K70-L73 WeakPolarHBondContact O-CB 3.39Å; K70-L73 PolarHBondContact O-N 2.95Å
71	K	94.6	Very high	95.1	Very high	123 Å²	123	67.8 Å²	67.8	54%	0.535	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.8	177.2	70.4	-177.3	-174.1	-179.9	0	113.7	E44 Y69	E44-K71 VanDerWaalsContact OE1-CE 3.28Å; E44-K71 WeakPolarHBondContact OE1-CE 3.48Å; E44-K71 IonicContact OE1-NZ 2.63Å; E44-K71 PolarHBondContact OE1-NZ 3Å; Y69-K71 PolarHBondContact O-N 3.41Å; Y69-K71 VanDerWaalsContact O-N 3.16Å
72	H	95.3	Very high	95.1	Very high	10 Å²	10	68.4 Å²	68.4	5%	0.046	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-87.6	-13.8	179.5	-59.1	-81.6	0	0	0	112.8	I47 P48 L51 Y69 K70 E74 K75	I47-H72 HydrophobicContact CG2-CB 3.86Å; P48-H72 HydrophobicContact CG-CB 4.15Å; L51-H72 HydrophobicContact CD1-CB 4.15Å; Y69-H72 WeakPolarHBondContact O-CB 3.45Å; Y69-H72 PolarHBondContact O-N 2.72Å; K70-H72 PolarHBondContact O-N 3.48Å; K70-H72 VanDerWaalsContact O-N 3.14Å; H72-E74 PolarHBondContact O-N 3.34Å; H72-K75 WeakPolarHBondContact O-CA 3.42Å; H72-K75 WeakPolarHBondContact O-CB 3.36Å; H72-K75 PolarHBondContact O-N 2.71Å
73	L	94	Very high	95.1	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.178	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.4	-24	177.7	-62.3	176.1	0	0	0	112.7	L51 A58 C61 K62 K70 K75 L76	L51-L73 HydrophobicContact CD1-CD2 4.12Å; A58-L73 HydrophobicContact CB-CD2 4.02Å; C61-L73 HydrophobicContact CB-CD2 4.4Å; K62-L73 HydrophobicContact CB-CD1 3.98Å; K62-L73 HydrophobicContact CG-CD1 4.47Å; K70-L73 WeakPolarHBondContact O-CB 3.39Å; K70-L73 PolarHBondContact O-N 2.95Å; L73-K75 PolarHBondContact O-N 3.16Å; L73-L76 HydrophobicContact CD2-CD1 4.35Å; L73-L76 WeakPolarHBondContact O-CD1 3.47Å; L73-L76 WeakPolarHBondContact O-CG 3.18Å
74	E	92	Very high	94.9	Very high	176 Å²	176	63.8 Å²	63.8	82%	0.822	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.4	173.2	-62.1	177.8	-174.3	0	0	112.5	H72	H72-E74 PolarHBondContact O-N 3.34Å
75	K	92.8	Very high	94.7	Very high	106 Å²	106	67.8 Å²	67.8	46%	0.461	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-104.9	20.5	-176.4	-64.7	-176.1	-178.1	-179.2	0	112.7	P48 H72 L73 K77 Y78	P48-K75 HydrophobicContact CB-CB 3.85Å; P48-K75 HydrophobicContact CG-CB 4.14Å; P48-K75 HydrophobicContact CG-CD 4.25Å; H72-K75 WeakPolarHBondContact O-CA 3.42Å; H72-K75 WeakPolarHBondContact O-CB 3.36Å; H72-K75 PolarHBondContact O-N 2.71Å; L73-K75 PolarHBondContact O-N 3.16Å; K75-K77 PolarHBondContact O-N 3.22Å; K75-Y78 HydrophobicContact CB-CD2 3.84Å; K75-Y78 HydrophobicContact CB-CE2 4.29Å; K75-Y78 HydrophobicContact CG-CD2 4.4Å; K75-Y78 HydrophobicContact CG-CE2 4.38Å; K75-Y78 WeakPolarHBondContact O-CD2 3.31Å; K75-Y78 PolarHBondContact O-N 3.41Å
76	L	92.9	Very high	94.7	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.215	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.1	-178.8	-76.5	177.1	0	0	0	115.6	L51 H52 R55 A58 L73	L51-L76 HydrophobicContact CB-CD2 3.73Å; H52-L76 PolarHBondContact ND1-O 2.84Å; R55-L76 PolarHBondContact NH2-O 3.04Å; A58-L76 HydrophobicContact CB-CD1 4.41Å; A58-L76 HydrophobicContact CB-CD2 4.14Å; L73-L76 HydrophobicContact CD2-CD1 4.35Å; L73-L76 WeakPolarHBondContact O-CD1 3.47Å; L73-L76 WeakPolarHBondContact O-CG 3.18Å
77	K	95.1	Very high	94.6	Very high	110 Å²	110	65.2 Å²	65.2	48%	0.478	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.7	169.3	65.9	-174.3	-174.7	175.7	0	112.9	K75 F90	K75-K77 PolarHBondContact O-N 3.22Å; K77-F90 HydrophobicContact CB-CD1 4.44Å; K77-F90 HydrophobicContact CB-CD2 4.34Å; K77-F90 HydrophobicContact CB-CE2 4.46Å; K77-F90 HydrophobicContact CB-CG 4.36Å; K77-F90 HydrophobicContact CD-CD1 3.95Å; K77-F90 HydrophobicContact CD-CE1 3.49Å; K77-F90 VanDerWaalsContact CD-CE1 3.49Å; K77-F90 HydrophobicContact CD-CE2 4.46Å; K77-F90 HydrophobicContact CD-CZ 3.8Å; K77-F90 HydrophobicContact CG-CD1 3.9Å; K77-F90 HydrophobicContact CG-CE1 3.98Å; K77-F90 HydrophobicContact CG-CG 4.29Å; K77-F90 HydrophobicContact CG-CZ 4.41Å; K77-F90 WeakPolarHBondContact O-CB 3.43Å
78	Y	96.6	Very high	94.4	Very high	82 Å²	82	68 Å²	68	32%	0.322	33%	0.327	S	S	.	.			trans	-75.6	135.3	178.2	-65.8	-84.9	0	0	0	110.9	F49 H52 K75 F90	F49-Y78 HydrophobicContact CE1-CD1 4.46Å; F49-Y78 HydrophobicContact CZ-CD1 4.2Å; F49-Y78 HydrophobicContact CZ-CG 4.34Å; H52-Y78 WeakPolarHBondContact CB-O 3.35Å; H52-Y78 VanDerWaalsContact CG-O 3.32Å; H52-Y78 PolarHBondContact ND1-O 3.14Å; K75-Y78 HydrophobicContact CB-CD2 3.84Å; K75-Y78 HydrophobicContact CB-CE2 4.29Å; K75-Y78 HydrophobicContact CG-CD2 4.4Å; K75-Y78 HydrophobicContact CG-CE2 4.38Å; K75-Y78 WeakPolarHBondContact O-CD2 3.31Å; K75-Y78 PolarHBondContact O-N 3.41Å; Y78-F90 VanDerWaalsContact CA-O 3.32Å; Y78-F90 WeakPolarHBondContact CA-O 3.26Å; Y78-F90 HydrophobicContact CD1-CB 4.47Å; Y78-F90 HydrophobicContact CD1-CD1 4.45Å; Y78-F90 HydrophobicContact CE1-CD1 4.27Å
79	C	96.6	Very high	94.2	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-149.1	155	-166.2	39	0	0	0	0	110.8	F49 G81 C86 F90 R91 F92	F49-C79 VanDerWaalsContact CD1-O 3.23Å; F49-C79 WeakPolarHBondContact CD1-O 3.36Å; F49-C79 WeakPolarHBondContact CE1-O 3.45Å; C79-G81 PolarHBondContact O-N 2.98Å; C79-C86 HydrophobicContact CB-CB 3.63Å; C79-C86 WeakPolarHBondContact CB-SG 3.37Å; C79-C86 WeakPolarHBondContact SG-CA 3.42Å; C79-C86 WeakPolarHBondContact SG-CB 3.37Å; C79-C86 CovalentContact SG-SG 2.01Å; C79-C86 PolarHBondContact SG-SG 3.32Å; C79-F90 PolarHBondContact N-O 2.91Å; C79-R91 CarbonylContact O-C 3.54Å; C79-R91 WeakPolarHBondContact O-CA 3.31Å; C79-F92 PolarHBondContact O-N 2.91Å; C79-F92 VanDerWaalsContact O-N 3.12Å
80	W	97.3	Very high	94.2	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.008	33%	0.332	C	S	.	.			trans	-66.8	-32.7	-175.5	-69.6	110.4	0	0	0	111.8	H46 F49 Y82 E83 F92 F121 H261 A344	H46-W80 HydrophobicContact CB-CH2 3.84Å; H46-W80 HydrophobicContact CB-CZ2 4.03Å; H46-W80 AromaticContact CG-CH2 3.66Å; H46-W80 AromaticContact ND1-CH2 3.9Å; F49-W80 HydrophobicContact CB-CD2 3.72Å; F49-W80 VanDerWaalsContact CB-CE2 3.43Å; F49-W80 HydrophobicContact CB-CE3 4.25Å; F49-W80 HydrophobicContact CB-CG 4.12Å; F49-W80 HydrophobicContact CB-CH2 4.32Å; F49-W80 HydrophobicContact CB-CZ2 3.78Å; F49-W80 HydrophobicContact CG-CD2 4.47Å; W80-Y82 HydrophobicContact CB-CD1 3.75Å; W80-Y82 HydrophobicContact CB-CE1 3.27Å; W80-Y82 HydrophobicContact CB-CE2 4.43Å; W80-Y82 AromaticContact CD1-CZ 3.7Å; W80-Y82 AromaticContact CG-CE1 3.78Å; W80-Y82 HydrophobicContact CG-CE1 3.78Å; W80-Y82 AromaticContact CG-CZ 3.88Å; W80-E83 PolarHBondContact N-OE1 3.3Å; W80-E83 PolarHBondContact N-OE2 3.4Å; W80-E83 VanDerWaalsContact N-OE2 3.09Å; W80-F92 HydrophobicContact CE3-CB 3.67Å; W80-F92 HydrophobicContact CE3-CD2 4.21Å; W80-F92 AromaticContact CE3-CG 3.88Å; W80-F92 HydrophobicContact CE3-CG 3.88Å; W80-F92 HydrophobicContact CH2-CD2 4.34Å; W80-F92 HydrophobicContact CZ3-CB 3.95Å; W80-F92 HydrophobicContact CZ3-CD1 4.01Å; W80-F92 AromaticContact CZ3-CD2 3.69Å; W80-F92 HydrophobicContact CZ3-CD2 3.69Å; W80-F92 HydrophobicContact CZ3-CE2 4.23Å; W80-F92 AromaticContact CZ3-CG 3.59Å; W80-F92 HydrophobicContact CZ3-CG 3.59Å; W80-F121 HydrophobicContact CB-CD1 4.44Å; W80-F121 HydrophobicContact CD2-CE1 4.42Å; W80-F121 HydrophobicContact CD2-CZ 4.29Å; W80-F121 HydrophobicContact CE3-CD2 4.3Å; W80-F121 AromaticContact CE3-CE1 3.83Å; W80-F121 HydrophobicContact CE3-CE1 3.83Å; W80-F121 AromaticContact CE3-CE2 3.57Å; W80-F121 HydrophobicContact CE3-CE2 3.57Å; W80-F121 AromaticContact CE3-CZ 3.29Å; W80-F121 HydrophobicContact CE3-CZ 3.29Å; W80-F121 HydrophobicContact CZ3-CE1 4.33Å; W80-F121 AromaticContact CZ3-CE2 3.94Å; W80-F121 HydrophobicContact CZ3-CE2 3.94Å; W80-F121 AromaticContact CZ3-CZ 3.52Å; W80-F121 HydrophobicContact CZ3-CZ 3.52Å; W80-F121 WeakPolarHBondContact O-CB 3.46Å; W80-H261 AromaticContact CD2-CE1 3.65Å; W80-H261 AromaticContact CE2-CE1 3.62Å; W80-H261 AromaticContact CE3-CE1 3.88Å; W80-H261 AromaticContact CZ2-CE1 3.82Å; W80-A344 HydrophobicContact CZ3-CB 4.03Å
81	G	95.8	Very high	94.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	119.9	-15.6	176.3	0	0	0	0	0	114.1	C79 E83 C86 W116	C79-G81 PolarHBondContact O-N 2.98Å; G81-E83 PolarHBondContact N-OE2 2.02Å; G81-C86 VanDerWaalsContact CA-SG 3.51Å; G81-W116 WeakPolarHBondContact O-CH2 3.44Å; G81-W116 WeakPolarHBondContact O-CZ2 3.16Å
82	Y	96.4	Very high	94.3	Very high	14 Å²	14	61.4 Å²	61.4	6%	0.055	29%	0.293	C	S	.	.			trans	-85.1	-14.8	174.3	53.4	-108.9	0	0	0	113.1	N53 W80 F121 A124 L128 H261	N53-Y82 PolarHBondContact ND2-OH 2.78Å; W80-Y82 HydrophobicContact CB-CD1 3.75Å; W80-Y82 HydrophobicContact CB-CE1 3.27Å; W80-Y82 HydrophobicContact CB-CE2 4.43Å; W80-Y82 AromaticContact CD1-CZ 3.7Å; W80-Y82 AromaticContact CG-CE1 3.78Å; W80-Y82 HydrophobicContact CG-CE1 3.78Å; W80-Y82 AromaticContact CG-CZ 3.88Å; Y82-F121 HydrophobicContact CD1-CB 4.36Å; Y82-F121 HydrophobicContact CD1-CD1 4.18Å; Y82-F121 HydrophobicContact CE1-CD1 4.13Å; Y82-A124 HydrophobicContact CD1-CB 3.95Å; Y82-L128 HydrophobicContact CD2-CD1 3.99Å; Y82-L128 HydrophobicContact CG-CD1 4.23Å; Y82-H261 HydrophobicContact CE1-CB 4.07Å; Y82-H261 AromaticContact CE1-ND1 3.47Å; Y82-H261 WeakPolarHBondContact CE1-ND1 3.35Å; Y82-H261 AromaticContact CZ-ND1 3.8Å; Y82-H261 PolarHBondContact OH-ND1 3.41Å
83	E	95.9	Very high	94	Very high	19 Å²	19	62.6 Å²	62.6	9%	0.089	31%	0.307	C	S	.	.	S	Bend	trans	-69.3	133.2	175.4	-51.1	91.7	146.8	0	0	110.3	H52 N53 W80 G81 S85 C86	H52-E83 IonicContact CD2-OE1 2.72Å; N53-E83 WeakPolarHBondContact OD1-CG 3.41Å; W80-E83 PolarHBondContact N-OE1 3.3Å; W80-E83 PolarHBondContact N-OE2 3.4Å; W80-E83 VanDerWaalsContact N-OE2 3.09Å; G81-E83 PolarHBondContact N-OE2 2.02Å; E83-S85 PolarHBondContact O-N 2.98Å; E83-C86 HydrophobicContact CB-CB 4.24Å; E83-C86 WeakPolarHBondContact O-CB 3.42Å; E83-C86 PolarHBondContact O-N 3.02Å
84	K	91.2	Very high	93.7	Very high	209 Å²	209	63.7 Å²	63.7	91%	0.909	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.5	-177	-67.6	-177.7	179.2	177.1	0	113.9
85	S	90.9	Very high	93.7	Very high	91 Å²	91	55.4 Å²	55.4	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-4	179.5	56	0	0	0	0	113.9	E83 K87	E83-S85 PolarHBondContact O-N 2.98Å; S85-K87 PolarHBondContact O-N 3.44Å
86	C	94.4	Very high	93.7	Very high	13 Å²	13	54.2 Å²	54.2	9%	0.088	27%	0.272	C	S	.	.			trans	-78.5	120.5	-172.9	-171.2	0	0	0	0	112.2	C79 G81 E83	C79-C86 HydrophobicContact CB-CB 3.63Å; C79-C86 WeakPolarHBondContact CB-SG 3.37Å; C79-C86 WeakPolarHBondContact SG-CA 3.42Å; C79-C86 WeakPolarHBondContact SG-CB 3.37Å; C79-C86 CovalentContact SG-SG 2.01Å; C79-C86 PolarHBondContact SG-SG 3.32Å; G81-C86 VanDerWaalsContact CA-SG 3.51Å; E83-C86 HydrophobicContact CB-CB 4.24Å; E83-C86 WeakPolarHBondContact O-CB 3.42Å; E83-C86 PolarHBondContact O-N 3.02Å
87	K	93.1	Very high	93.8	Very high	121 Å²	121	52.7 Å²	52.7	53%	0.526	27%	0.265	S	S	.	.			trans	-86.2	147.5	174.3	-55.2	-172.5	176.9	-176.1	0	111.3	S85 E89 F90	S85-K87 PolarHBondContact O-N 3.44Å; K87-E89 VanDerWaalsContact C-N 3.28Å; K87-E89 WeakPolarHBondContact CB-OE2 3.48Å; K87-E89 WeakPolarHBondContact CD-OE1 3.47Å; K87-E89 PolarHBondContact O-N 2.99Å; K87-F90 HydrophobicContact CB-CD2 3.97Å; K87-F90 HydrophobicContact CB-CE2 4.45Å; K87-F90 HydrophobicContact CD-CD2 4.46Å; K87-F90 HydrophobicContact CD-CE2 4.21Å; K87-F90 HydrophobicContact CG-CD2 4.45Å; K87-F90 PolarHBondContact O-N 3.32Å
88	P	91.3	Very high	93.6	Very high	66 Å²	66	52 Å²	52	43%	0.429	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-50.7	-41.6	-177.8	-27.9	35.3	0	0	0	114.8	F90 R91	P88-F90 PolarHBondContact O-N 3.2Å; P88-F90 VanDerWaalsContact O-N 3.11Å; P88-R91 WeakPolarHBondContact O-CB 3.4Å; P88-R91 WeakPolarHBondContact O-CG 3.11Å; P88-R91 PolarHBondContact O-N 3.49Å
89	E	92.2	Very high	93.4	Very high	122 Å²	122	54 Å²	54	57%	0.57	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67.3	-11.6	-178.4	68.5	-87.5	-158.3	0	0	114.6	K87	K87-E89 VanDerWaalsContact C-N 3.28Å; K87-E89 WeakPolarHBondContact CB-OE2 3.48Å; K87-E89 WeakPolarHBondContact CD-OE1 3.47Å; K87-E89 PolarHBondContact O-N 2.99Å
90	F	95.6	Very high	93	Very high	44 Å²	44	56.1 Å²	56.1	19%	0.193	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-111.6	3.8	-179.6	-60	-47.4	0	0	0	113.7	K77 Y78 C79 K87 P88	K77-F90 HydrophobicContact CB-CD1 4.44Å; K77-F90 HydrophobicContact CB-CD2 4.34Å; K77-F90 HydrophobicContact CB-CE2 4.46Å; K77-F90 HydrophobicContact CB-CG 4.36Å; K77-F90 HydrophobicContact CD-CD1 3.95Å; K77-F90 HydrophobicContact CD-CE1 3.49Å; K77-F90 VanDerWaalsContact CD-CE1 3.49Å; K77-F90 HydrophobicContact CD-CE2 4.46Å; K77-F90 HydrophobicContact CD-CZ 3.8Å; K77-F90 HydrophobicContact CG-CD1 3.9Å; K77-F90 HydrophobicContact CG-CE1 3.98Å; K77-F90 HydrophobicContact CG-CG 4.29Å; K77-F90 HydrophobicContact CG-CZ 4.41Å; K77-F90 WeakPolarHBondContact O-CB 3.43Å; Y78-F90 VanDerWaalsContact CA-O 3.32Å; Y78-F90 WeakPolarHBondContact CA-O 3.26Å; Y78-F90 HydrophobicContact CD1-CB 4.47Å; Y78-F90 HydrophobicContact CD1-CD1 4.45Å; Y78-F90 HydrophobicContact CE1-CD1 4.27Å; C79-F90 PolarHBondContact N-O 2.91Å; K87-F90 HydrophobicContact CB-CD2 3.97Å; K87-F90 HydrophobicContact CB-CE2 4.45Å; K87-F90 HydrophobicContact CD-CD2 4.46Å; K87-F90 HydrophobicContact CD-CE2 4.21Å; K87-F90 HydrophobicContact CG-CD2 4.45Å; K87-F90 PolarHBondContact O-N 3.32Å; P88-F90 PolarHBondContact O-N 3.2Å; P88-F90 VanDerWaalsContact O-N 3.11Å
91	R	95.4	Very high	92.5	Very high	27 Å²	27	58 Å²	58	10%	0.102	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-65.9	158.2	178.6	-68.2	179.6	-179.1	158.3	1.1	112.1	C79 P88 G93	C79-R91 CarbonylContact O-C 3.54Å; C79-R91 WeakPolarHBondContact O-CA 3.31Å; P88-R91 WeakPolarHBondContact O-CB 3.4Å; P88-R91 WeakPolarHBondContact O-CG 3.11Å; P88-R91 PolarHBondContact O-N 3.49Å; R91-G93 WeakPolarHBondContact CB-O 3.15Å; R91-G93 PolarHBondContact O-N 2.92Å
92	F	94.9	Very high	91.8	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.009	35%	0.345	C	S	.	.	S	Bend	trans	-70.8	76.3	171.6	-168.5	-89	0	0	0	110	E45 H46 F49 C79 W80 F121 G340 A344	E45-F92 HydrophobicContact CG-CE2 3.94Å; E45-F92 HydrophobicContact CG-CZ 4.31Å; H46-F92 AromaticContact CD2-CE2 3.68Å; H46-F92 AromaticContact CD2-CZ 3.74Å; H46-F92 AromaticContact NE2-CZ 3.79Å; F49-F92 HydrophobicContact CD1-CB 3.76Å; F49-F92 AromaticContact CD1-CD2 3.87Å; F49-F92 HydrophobicContact CD1-CD2 3.87Å; F49-F92 HydrophobicContact CD1-CG 4.34Å; F49-F92 AromaticContact CD2-CD2 3.63Å; F49-F92 HydrophobicContact CD2-CD2 3.63Å; F49-F92 HydrophobicContact CD2-CE2 4.15Å; F49-F92 VanDerWaalsContact CE1-CA 3.46Å; F49-F92 HydrophobicContact CE1-CB 3.62Å; F49-F92 AromaticContact CE1-CD2 3.73Å; F49-F92 HydrophobicContact CE1-CD2 3.73Å; F49-F92 HydrophobicContact CE1-CG 4.17Å; F49-F92 AromaticContact CE2-CD2 3.45Å; F49-F92 HydrophobicContact CE2-CD2 3.45Å; F49-F92 VanDerWaalsContact CE2-CD2 3.45Å; F49-F92 AromaticContact CE2-CE2 3.91Å; F49-F92 HydrophobicContact CE2-CE2 3.91Å; F49-F92 HydrophobicContact CG-CB 4.48Å; F49-F92 AromaticContact CG-CD2 3.87Å; F49-F92 HydrophobicContact CG-CD2 3.87Å; F49-F92 HydrophobicContact CZ-CB 4.2Å; F49-F92 AromaticContact CZ-CD2 3.5Å; F49-F92 HydrophobicContact CZ-CD2 3.5Å; F49-F92 HydrophobicContact CZ-CE2 4.29Å; F49-F92 HydrophobicContact CZ-CG 4.28Å; C79-F92 PolarHBondContact O-N 2.91Å; C79-F92 VanDerWaalsContact O-N 3.12Å; W80-F92 HydrophobicContact CE3-CB 3.67Å; W80-F92 HydrophobicContact CE3-CD2 4.21Å; W80-F92 AromaticContact CE3-CG 3.88Å; W80-F92 HydrophobicContact CE3-CG 3.88Å; W80-F92 HydrophobicContact CH2-CD2 4.34Å; W80-F92 HydrophobicContact CZ3-CB 3.95Å; W80-F92 HydrophobicContact CZ3-CD1 4.01Å; W80-F92 AromaticContact CZ3-CD2 3.69Å; W80-F92 HydrophobicContact CZ3-CD2 3.69Å; W80-F92 HydrophobicContact CZ3-CE2 4.23Å; W80-F92 AromaticContact CZ3-CG 3.59Å; W80-F92 HydrophobicContact CZ3-CG 3.59Å; F92-F121 HydrophobicContact CB-CD2 4.43Å; F92-F121 HydrophobicContact CB-CE2 4.04Å; F92-F121 HydrophobicContact CD1-CE2 4.01Å; F92-F121 HydrophobicContact CG-CE2 4.33Å; F92-G340 WeakPolarHBondContact O-CA 3.33Å; F92-A344 HydrophobicContact CD1-CB 4.04Å; F92-A344 HydrophobicContact CE1-CB 3.65Å; F92-A344 HydrophobicContact CZ-CB 4.25Å
93	G	88.8	Confident	91.3	Very high	34 Å²	34	69 Å²	69	35%	0.351	38%	0.378	S	S	.	.			trans	74.4	167.1	-169.3	0	0	0	0	0	113	R91	R91-G93 WeakPolarHBondContact CB-O 3.15Å; R91-G93 PolarHBondContact O-N 2.92Å
94	Y	89.4	Confident	90.7	Very high	57 Å²	57	73.4 Å²	73.4	22%	0.224	39%	0.393	C	S	.	.			trans	-149.6	141.6	174.4	-158.6	-114.1	0	0	0	107.3	E112 D113 W116	Y94-E112 HydrophobicContact CD1-CB 4.33Å; Y94-E112 HydrophobicContact CE1-CB 3.62Å; Y94-D113 VanDerWaalsContact OH-CA 3.28Å; Y94-D113 WeakPolarHBondContact OH-CA 3.05Å; Y94-D113 PolarHBondContact OH-N 3Å; Y94-W116 HydrophobicContact CD2-CB 4.39Å; Y94-W116 AromaticContact CD2-CD1 3.75Å; Y94-W116 HydrophobicContact CD2-CG 4.03Å; Y94-W116 HydrophobicContact CE2-CB 3.75Å; Y94-W116 AromaticContact CE2-CD1 3.8Å; Y94-W116 HydrophobicContact CE2-CD2 4.14Å; Y94-W116 AromaticContact CE2-CG 3.59Å; Y94-W116 HydrophobicContact CE2-CG 3.59Å
95	P	91.9	Very high	90.6	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.013	36%	0.355	C	S	.	.			trans	-64.8	156	-178.4	28.3	-36.2	0	0	0	111.3	E112 F115 W116 Q337	P95-E112 HydrophobicContact CG-CB 4.3Å; P95-E112 WeakPolarHBondContact CG-O 3.42Å; P95-F115 HydrophobicContact CB-CB 4.39Å; P95-F115 HydrophobicContact CB-CD1 3.39Å; P95-F115 HydrophobicContact CB-CE1 3.96Å; P95-F115 HydrophobicContact CB-CG 4.22Å; P95-F115 HydrophobicContact CG-CB 4.26Å; P95-F115 HydrophobicContact CG-CD1 3.9Å; P95-W116 HydrophobicContact CG-CB 3.86Å; P95-Q337 VanDerWaalsContact CA-O 3.3Å; P95-Q337 WeakPolarHBondContact CA-O 3.41Å; P95-Q337 WeakPolarHBondContact CB-O 3.48Å
96	V	92.4	Very high	90.6	Very high	81 Å²	81	66.2 Å²	66.2	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.9	176.7	-179.4	0	0	0	0	108.2	C336 Q337	V96-C336 WeakPolarHBondContact O-CA 3.26Å; V96-Q337 PolarHBondContact N-O 3.36Å; V96-Q337 PolarHBondContact O-N 3.01Å
97	C	94.3	Very high	90.6	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.5	176.9	-54	0	0	0	0	111	L108 A111 E112 G335 C336	C97-L108 HydrophobicContact CB-CD2 4.1Å; C97-A111 HydrophobicContact CB-CB 4.32Å; C97-E112 HydrophobicContact CB-CG 4.05Å; C97-E112 WeakPolarHBondContact SG-CG 3.37Å; C97-G335 WeakPolarHBondContact CA-O 3.25Å; C97-C336 HydrophobicContact CB-CB 4.12Å; C97-C336 WeakPolarHBondContact CB-SG 3.48Å; C97-C336 WeakPolarHBondContact SG-CB 3.18Å; C97-C336 CovalentContact SG-SG 2.03Å; C97-C336 PolarHBondContact SG-SG 3.48Å
98	S	92.1	Very high	90.6	Very high	96 Å²	96	66.6 Å²	66.6	67%	0.671	37%	0.368	S	S	*	.	S	Bend	trans	-92	-23.3	-178	55.6	0	0	0	0	114	G335	S98-G335 PolarHBondContact N-O 3.36Å; S98-G335 PolarHBondContact OG-O 3.48Å
99	Y	90.6	Very high	90.7	Very high	124 Å²	124	70.8 Å²	70.8	49%	0.486	38%	0.381	S	S	.	.	S	Bend	trans	-153.2	163.2	175.3	64.6	-89.3	0	0	0	110.9	S334 G335	Y99-S334 WeakPolarHBondContact OH-CB 3.11Å; Y99-G335 VanDerWaalsContact CE1-CA 3.43Å
100	V	88.3	Confident	90.7	Very high	44 Å²	44	66.8 Å²	66.8	27%	0.267	37%	0.367	S	S	.	.			trans	-92.2	129.2	176.7	-179.9	0	0	0	0	110	T105 L108	V100-T105 HydrophobicContact CG1-CG2 4.18Å; V100-T105 WeakPolarHBondContact CG1-O 3.28Å; V100-L108 HydrophobicContact CG2-CB 4.45Å; V100-L108 HydrophobicContact CG2-CD2 3.7Å; V100-L108 HydrophobicContact CG2-CG 3.77Å
101	D	86.9	Confident	90.7	Very high	42 Å²	42	64.7 Å²	64.7	23%	0.225	36%	0.358	C	S	.	.			trans	-90.4	102.5	166.8	-170.8	-24.8	0	0	0	108.9	G103 W104 T105 I333 S334	D101-G103 PolarHBondContact O-N 3.22Å; D101-G103 PolarHBondContact OD1-N 2.88Å; D101-G103 VanDerWaalsContact OD1-N 3.11Å; D101-W104 VanDerWaalsContact CG-CD1 3.5Å; D101-W104 PolarHBondContact O-N 3Å; D101-T105 PolarHBondContact O-N 3.45Å; D101-T105 VanDerWaalsContact O-N 3.12Å; D101-I333 HydrophobicContact CB-CG1 4.3Å; D101-S334 WeakPolarHBondContact OD2-CB 3.39Å; D101-S334 PolarHBondContact OD2-OG 2.83Å
102	M	82.6	Confident	90.7	Very high	175 Å²	175	65.6 Å²	65.6	86%	0.862	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.4	-177.3	-74.2	-172.4	-92.8	0	0	113.7	W104 T105	M102-W104 PolarHBondContact O-N 3.45Å; M102-T105 WeakPolarHBondContact CA-O 3.4Å
103	G	84.4	Confident	90.6	Very high	71 Å²	71	67.4 Å²	67.4	73%	0.732	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.3	171.5	0	0	0	0	0	113.6	D101	D101-G103 PolarHBondContact O-N 3.22Å; D101-G103 PolarHBondContact OD1-N 2.88Å; D101-G103 VanDerWaalsContact OD1-N 3.11Å
104	W	83.1	Confident	90.9	Very high	111 Å²	111	67.3 Å²	67.3	42%	0.42	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-44.7	-177.1	-69.9	77.6	0	0	0	113	D101 M102 I114 P331 I333	D101-W104 VanDerWaalsContact CG-CD1 3.5Å; D101-W104 PolarHBondContact O-N 3Å; M102-W104 PolarHBondContact O-N 3.45Å; W104-I114 HydrophobicContact CE3-CG2 4.37Å; W104-P331 HydrophobicContact CH2-CB 4.01Å; W104-P331 HydrophobicContact CZ3-CB 4.5Å; W104-I333 HydrophobicContact CB-CD1 3.43Å; W104-I333 VanDerWaalsContact CB-CD1 3.43Å; W104-I333 HydrophobicContact CB-CG1 3.85Å; W104-I333 HydrophobicContact CD2-CB 4.02Å; W104-I333 HydrophobicContact CD2-CD1 4.39Å; W104-I333 HydrophobicContact CD2-CG1 4.02Å; W104-I333 HydrophobicContact CE3-CB 4.11Å; W104-I333 HydrophobicContact CE3-CG1 4.48Å; W104-I333 HydrophobicContact CG-CB 4.27Å; W104-I333 HydrophobicContact CG-CD1 3.89Å; W104-I333 HydrophobicContact CG-CG1 3.72Å
105	T	90.6	Very high	91.2	Very high	17 Å²	17	64.6 Å²	64.6	10%	0.104	35%	0.354	C	S	.	.			trans	-160	168.9	-172.3	-170.7	0	0	0	0	112.3	V100 D101 M102 S110 A111 I114 I333	V100-T105 HydrophobicContact CG1-CG2 4.18Å; V100-T105 WeakPolarHBondContact CG1-O 3.28Å; D101-T105 PolarHBondContact O-N 3.45Å; D101-T105 VanDerWaalsContact O-N 3.12Å; M102-T105 WeakPolarHBondContact CA-O 3.4Å; T105-S110 WeakPolarHBondContact OG1-CB 3.35Å; T105-S110 PolarHBondContact OG1-OG 3.47Å; T105-A111 HydrophobicContact CG2-CB 3.73Å; T105-I114 HydrophobicContact CG2-CD1 4.38Å; T105-I333 HydrophobicContact CG2-CD1 3.86Å
106	D	91.3	Very high	91.4	Very high	133 Å²	133	64.5 Å²	64.5	71%	0.711	35%	0.353	S	S	*	.	S	Bend	trans	-103.8	-11.6	-176	62.2	-5.5	0	0	0	114.3
107	T	93.4	Very high	91.5	Very high	65 Å²	65	64.9 Å²	64.9	40%	0.399	35%	0.348	S	S	.	.	S	Bend	trans	-137.4	151.6	-174.8	53.9	0	0	0	0	112.8	S110 A111	T107-S110 PolarHBondContact O-N 2.7Å; T107-S110 WeakPolarHBondContact OG1-CB 3.34Å; T107-S110 PolarHBondContact OG1-N 3.01Å; T107-A111 PolarHBondContact O-N 3.31Å
108	L	93.1	Very high	91.4	Very high	77 Å²	77	67 Å²	67	40%	0.403	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-41.7	176.1	-74	173.6	0	0	0	111.9	C97 V100 S110 A111 E112	C97-L108 HydrophobicContact CB-CD2 4.1Å; V100-L108 HydrophobicContact CG2-CB 4.45Å; V100-L108 HydrophobicContact CG2-CD2 3.7Å; V100-L108 HydrophobicContact CG2-CG 3.77Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.35Å; L108-A111 WeakPolarHBondContact O-CB 3.47Å; L108-A111 PolarHBondContact O-N 2.77Å; L108-A111 VanDerWaalsContact O-N 3.09Å; L108-E112 WeakPolarHBondContact O-CG 3.5Å; L108-E112 PolarHBondContact O-N 2.89Å
109	E	92.8	Very high	91.5	Very high	153 Å²	153	62.4 Å²	62.4	72%	0.715	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-41.9	179	-176	178.1	-178.2	0	0	111.8	E112 D113	E109-E112 PolarHBondContact O-N 2.84Å; E109-D113 PolarHBondContact O-N 3.3Å
110	S	93.8	Very high	91.8	Very high	38 Å²	38	56.5 Å²	56.5	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-68.5	-35.4	175.3	-178.3	0	0	0	0	111.8	T105 T107 L108 D113 I114	T105-S110 WeakPolarHBondContact OG1-CB 3.35Å; T105-S110 PolarHBondContact OG1-OG 3.47Å; T107-S110 PolarHBondContact O-N 2.7Å; T107-S110 WeakPolarHBondContact OG1-CB 3.34Å; T107-S110 PolarHBondContact OG1-N 3.01Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.35Å; S110-D113 PolarHBondContact O-N 3.11Å; S110-I114 WeakPolarHBondContact O-CB 3.45Å; S110-I114 WeakPolarHBondContact O-CD1 3.35Å; S110-I114 WeakPolarHBondContact O-CG1 3.49Å; S110-I114 PolarHBondContact O-N 2.94Å
111	A	94.6	Very high	92.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-43.7	173.7	0	0	0	0	0	111.9	C97 T105 T107 L108 I114 F115 I333	C97-A111 HydrophobicContact CB-CB 4.32Å; T105-A111 HydrophobicContact CG2-CB 3.73Å; T107-A111 PolarHBondContact O-N 3.31Å; L108-A111 WeakPolarHBondContact O-CB 3.47Å; L108-A111 PolarHBondContact O-N 2.77Å; L108-A111 VanDerWaalsContact O-N 3.09Å; A111-I114 PolarHBondContact O-N 3.34Å; A111-F115 WeakPolarHBondContact O-CB 3.39Å; A111-F115 PolarHBondContact O-N 3.39Å; A111-I333 HydrophobicContact CB-CD1 3.82Å
112	E	94.9	Very high	92.7	Very high	45 Å²	45	52.5 Å²	52.5	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-44.5	176.4	-68.6	174.4	169.6	0	0	111.6	Y94 P95 C97 L108 E109 F115 W116	Y94-E112 HydrophobicContact CD1-CB 4.33Å; Y94-E112 HydrophobicContact CE1-CB 3.62Å; P95-E112 HydrophobicContact CG-CB 4.3Å; P95-E112 WeakPolarHBondContact CG-O 3.42Å; C97-E112 HydrophobicContact CB-CG 4.05Å; C97-E112 WeakPolarHBondContact SG-CG 3.37Å; L108-E112 WeakPolarHBondContact O-CG 3.5Å; L108-E112 PolarHBondContact O-N 2.89Å; E109-E112 PolarHBondContact O-N 2.84Å; E112-F115 PolarHBondContact O-N 3.43Å; E112-W116 VanDerWaalsContact O-CB 3.3Å; E112-W116 WeakPolarHBondContact O-CB 3.32Å; E112-W116 PolarHBondContact O-N 3.26Å
113	D	94.3	Very high	93.3	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-40.5	177.6	-179.9	67.6	0	0	0	112.5	Y94 E109 S110 W116 K117	Y94-D113 VanDerWaalsContact OH-CA 3.28Å; Y94-D113 WeakPolarHBondContact OH-CA 3.05Å; Y94-D113 PolarHBondContact OH-N 3Å; E109-D113 PolarHBondContact O-N 3.3Å; S110-D113 PolarHBondContact O-N 3.11Å; D113-W116 PolarHBondContact O-N 2.94Å; D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.27Å; D113-K117 WeakPolarHBondContact O-CG 3.47Å; D113-K117 PolarHBondContact O-N 3.3Å; D113-K117 WeakPolarHBondContact OD1-CE 3.36Å; D113-K117 IonicContact OD1-NZ 3.34Å; D113-K117 WeakPolarHBondContact OD2-CE 3.2Å; D113-K117 IonicContact OD2-NZ 2.8Å; D113-K117 PolarHBondContact OD2-NZ 3.32Å
114	I	94.8	Very high	93.9	Very high	33 Å²	33	41 Å²	41	17%	0.169	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-50	173.9	-72.8	167.1	0	0	0	110.3	W104 T105 S110 A111 W116 K117 Q118 I333	W104-I114 HydrophobicContact CE3-CG2 4.37Å; T105-I114 HydrophobicContact CG2-CD1 4.38Å; S110-I114 WeakPolarHBondContact O-CB 3.45Å; S110-I114 WeakPolarHBondContact O-CD1 3.35Å; S110-I114 WeakPolarHBondContact O-CG1 3.49Å; S110-I114 PolarHBondContact O-N 2.94Å; A111-I114 PolarHBondContact O-N 3.34Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 3.35Å; I114-K117 PolarHBondContact O-N 3.37Å; I114-Q118 WeakPolarHBondContact O-CB 3.46Å; I114-Q118 WeakPolarHBondContact O-CG 3.5Å; I114-Q118 PolarHBondContact O-N 2.98Å; I114-I333 HydrophobicContact CG2-CB 4.5Å; I114-I333 HydrophobicContact CG2-CG2 4.31Å
115	F	95.2	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-43	179.3	-168	-89.5	0	0	0	111.1	P95 A111 E112 K117 Q118 A119 L332 I333 C336 T339	P95-F115 HydrophobicContact CB-CB 4.39Å; P95-F115 HydrophobicContact CB-CD1 3.39Å; P95-F115 HydrophobicContact CB-CE1 3.96Å; P95-F115 HydrophobicContact CB-CG 4.22Å; P95-F115 HydrophobicContact CG-CB 4.26Å; P95-F115 HydrophobicContact CG-CD1 3.9Å; A111-F115 WeakPolarHBondContact O-CB 3.39Å; A111-F115 PolarHBondContact O-N 3.39Å; E112-F115 PolarHBondContact O-N 3.43Å; F115-K117 PolarHBondContact O-N 3.04Å; F115-Q118 PolarHBondContact O-N 2.98Å; F115-A119 HydrophobicContact CD1-CB 4.25Å; F115-A119 HydrophobicContact CE1-CB 4.21Å; F115-A119 HydrophobicContact CZ-CB 4.38Å; F115-A119 WeakPolarHBondContact O-CA 3.48Å; F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 2.95Å; F115-L332 HydrophobicContact CD2-CD2 4.19Å; F115-L332 HydrophobicContact CE2-CB 4.37Å; F115-L332 HydrophobicContact CE2-CD2 3.68Å; F115-L332 HydrophobicContact CE2-CG 4.47Å; F115-L332 HydrophobicContact CZ-CD2 4.18Å; F115-I333 HydrophobicContact CB-CG2 3.84Å; F115-I333 HydrophobicContact CD2-CG2 3.81Å; F115-I333 HydrophobicContact CG-CG2 4.33Å; F115-C336 HydrophobicContact CB-CB 3.95Å; F115-C336 HydrophobicContact CD1-CB 4.31Å; F115-C336 HydrophobicContact CD2-CB 3.39Å; F115-C336 HydrophobicContact CE2-CB 3.85Å; F115-C336 HydrophobicContact CG-CB 3.64Å; F115-C336 HydrophobicContact CZ-CB 4.47Å; F115-T339 HydrophobicContact CD1-CG2 4.27Å; F115-T339 HydrophobicContact CE1-CG2 3.44Å; F115-T339 VanDerWaalsContact CE1-CG2 3.44Å; F115-T339 HydrophobicContact CZ-CG2 4.13Å
116	W	95.8	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-41.2	177.5	-179.1	82.5	0	0	0	112.5	G81 Y94 P95 E112 D113 I114 D120 F121 G122 R125	G81-W116 WeakPolarHBondContact O-CH2 3.44Å; G81-W116 WeakPolarHBondContact O-CZ2 3.16Å; Y94-W116 HydrophobicContact CD2-CB 4.39Å; Y94-W116 AromaticContact CD2-CD1 3.75Å; Y94-W116 HydrophobicContact CD2-CG 4.03Å; Y94-W116 HydrophobicContact CE2-CB 3.75Å; Y94-W116 AromaticContact CE2-CD1 3.8Å; Y94-W116 HydrophobicContact CE2-CD2 4.14Å; Y94-W116 AromaticContact CE2-CG 3.59Å; Y94-W116 HydrophobicContact CE2-CG 3.59Å; P95-W116 HydrophobicContact CG-CB 3.86Å; E112-W116 VanDerWaalsContact O-CB 3.3Å; E112-W116 WeakPolarHBondContact O-CB 3.32Å; E112-W116 PolarHBondContact O-N 3.26Å; D113-W116 PolarHBondContact O-N 2.94Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 3.35Å; W116-D120 HydrophobicContact CB-CB 4.45Å; W116-D120 HydrophobicContact CG-CB 4.14Å; W116-D120 CarbonylContact O-C 3.58Å; W116-D120 VanDerWaalsContact O-CB 3.28Å; W116-D120 WeakPolarHBondContact O-CB 3.34Å; W116-D120 PolarHBondContact O-N 3.36Å; W116-F121 HydrophobicContact CZ2-CB 4.4Å; W116-G122 VanDerWaalsContact CZ2-N 3.34Å; W116-G122 WeakPolarHBondContact O-CA 3.27Å; W116-G122 PolarHBondContact O-N 3.31Å; W116-R125 VanDerWaalsContact CZ3-CZ 3.48Å
117	K	94.9	Very high	95.1	Very high	89 Å²	89	35.8 Å²	35.8	39%	0.387	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-40	175.8	-77.6	170.5	176.1	166.9	0	112.7	D113 I114 F115 G122 Y123	D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.27Å; D113-K117 WeakPolarHBondContact O-CG 3.47Å; D113-K117 PolarHBondContact O-N 3.3Å; D113-K117 WeakPolarHBondContact OD1-CE 3.36Å; D113-K117 IonicContact OD1-NZ 3.34Å; D113-K117 WeakPolarHBondContact OD2-CE 3.2Å; D113-K117 IonicContact OD2-NZ 2.8Å; D113-K117 PolarHBondContact OD2-NZ 3.32Å; I114-K117 PolarHBondContact O-N 3.37Å; F115-K117 PolarHBondContact O-N 3.04Å; K117-G122 CarbonylContact O-C 3.58Å; K117-Y123 WeakPolarHBondContact O-CA 3.36Å; K117-Y123 PolarHBondContact O-N 3.36Å
118	Q	93.1	Very high	95.2	Very high	52 Å²	52	35.2 Å²	35.2	24%	0.243	17%	0.171	C	C	.	.	H	α-helix	trans	-90.1	-29.2	-171.6	-69.4	171.2	-21.2	0	0	113.8	I114 F115 P331	I114-Q118 WeakPolarHBondContact O-CB 3.46Å; I114-Q118 WeakPolarHBondContact O-CG 3.5Å; I114-Q118 PolarHBondContact O-N 2.98Å; F115-Q118 PolarHBondContact O-N 2.98Å; Q118-P331 HydrophobicContact CB-CG 4.21Å; Q118-P331 HydrophobicContact CG-CG 4.09Å; Q118-P331 PolarHBondContact OE1-O 3.2Å
119	A	94.1	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-126	-7.6	-165.3	0	0	0	0	0	114.8	F115 T330 L332 T339 L460	F115-A119 HydrophobicContact CD1-CB 4.25Å; F115-A119 HydrophobicContact CE1-CB 4.21Å; F115-A119 HydrophobicContact CZ-CB 4.38Å; F115-A119 WeakPolarHBondContact O-CA 3.48Å; F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 2.95Å; A119-T330 HydrophobicContact CB-CG2 4.16Å; A119-L332 HydrophobicContact CB-CD2 3.44Å; A119-L332 VanDerWaalsContact CB-CD2 3.44Å; A119-T339 HydrophobicContact CB-CG2 4.07Å; A119-T339 WeakPolarHBondContact O-CG2 3.37Å; A119-L460 HydrophobicContact CB-CD2 3.69Å
120	D	96	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-126.9	-161.9	-173.3	-152.7	-23.5	0	0	0	111.4	W116 G122 Y123 T339 G340 L341	W116-D120 HydrophobicContact CB-CB 4.45Å; W116-D120 HydrophobicContact CG-CB 4.14Å; W116-D120 CarbonylContact O-C 3.58Å; W116-D120 VanDerWaalsContact O-CB 3.28Å; W116-D120 WeakPolarHBondContact O-CB 3.34Å; W116-D120 PolarHBondContact O-N 3.36Å; D120-G122 PolarHBondContact O-N 3.04Å; D120-Y123 WeakPolarHBondContact O-CB 3.22Å; D120-Y123 PolarHBondContact O-N 3.34Å; D120-T339 HydrophobicContact CB-CG2 4.33Å; D120-T339 WeakPolarHBondContact OD2-CA 3.46Å; D120-G340 VanDerWaalsContact CG-N 3.29Å; D120-G340 WeakPolarHBondContact OD1-CA 3.42Å; D120-G340 PolarHBondContact OD1-N 2.93Å; D120-G340 PolarHBondContact OD2-N 2.68Å; D120-L341 WeakPolarHBondContact OD1-CB 3.34Å; D120-L341 PolarHBondContact OD1-N 3.2Å
121	F	97.3	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-15.7	177.8	-71.4	-67	0	0	0	114.7	W80 Y82 F92 W116 Y123 A124 R125 H261 L341 A344	W80-F121 HydrophobicContact CB-CD1 4.44Å; W80-F121 HydrophobicContact CD2-CE1 4.42Å; W80-F121 HydrophobicContact CD2-CZ 4.29Å; W80-F121 HydrophobicContact CE3-CD2 4.3Å; W80-F121 AromaticContact CE3-CE1 3.83Å; W80-F121 HydrophobicContact CE3-CE1 3.83Å; W80-F121 AromaticContact CE3-CE2 3.57Å; W80-F121 HydrophobicContact CE3-CE2 3.57Å; W80-F121 AromaticContact CE3-CZ 3.29Å; W80-F121 HydrophobicContact CE3-CZ 3.29Å; W80-F121 HydrophobicContact CZ3-CE1 4.33Å; W80-F121 AromaticContact CZ3-CE2 3.94Å; W80-F121 HydrophobicContact CZ3-CE2 3.94Å; W80-F121 AromaticContact CZ3-CZ 3.52Å; W80-F121 HydrophobicContact CZ3-CZ 3.52Å; W80-F121 WeakPolarHBondContact O-CB 3.46Å; Y82-F121 HydrophobicContact CD1-CB 4.36Å; Y82-F121 HydrophobicContact CD1-CD1 4.18Å; Y82-F121 HydrophobicContact CE1-CD1 4.13Å; F92-F121 HydrophobicContact CB-CD2 4.43Å; F92-F121 HydrophobicContact CB-CE2 4.04Å; F92-F121 HydrophobicContact CD1-CE2 4.01Å; F92-F121 HydrophobicContact CG-CE2 4.33Å; W116-F121 HydrophobicContact CZ2-CB 4.4Å; F121-Y123 PolarHBondContact O-N 2.95Å; F121-A124 WeakPolarHBondContact O-CB 3.19Å; F121-A124 PolarHBondContact O-N 3.11Å; F121-R125 PolarHBondContact O-N 3.39Å; F121-R125 VanDerWaalsContact O-N 3.15Å; F121-H261 AromaticContact CE1-CD2 3.93Å; F121-H261 AromaticContact CE1-CE1 3.44Å; F121-H261 VanDerWaalsContact CE1-CE1 3.44Å; F121-H261 WeakPolarHBondContact CE1-CE1 3.48Å; F121-H261 AromaticContact CE1-ND1 3.72Å; F121-H261 AromaticContact CE1-NE2 3.59Å; F121-H261 AromaticContact CZ-CE1 4Å; F121-L341 HydrophobicContact CD1-CD1 4Å; F121-L341 HydrophobicContact CD2-CB 4.4Å; F121-L341 HydrophobicContact CE1-CB 4.47Å; F121-L341 HydrophobicContact CE1-CD1 3.52Å; F121-L341 HydrophobicContact CE2-CB 4.26Å; F121-L341 HydrophobicContact CZ-CB 4.3Å; F121-L341 HydrophobicContact CZ-CD1 3.92Å; F121-A344 HydrophobicContact CE2-CB 4.39Å; F121-A344 HydrophobicContact CZ-CB 3.95Å
122	G	96.2	Very high	95.9	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-28.2	169	0	0	0	0	0	113	W116 K117 D120 R125 E126	W116-G122 VanDerWaalsContact CZ2-N 3.34Å; W116-G122 WeakPolarHBondContact O-CA 3.27Å; W116-G122 PolarHBondContact O-N 3.31Å; K117-G122 CarbonylContact O-C 3.58Å; D120-G122 PolarHBondContact O-N 3.04Å; G122-R125 WeakPolarHBondContact O-CB 3.42Å; G122-R125 PolarHBondContact O-N 2.96Å; G122-E126 PolarHBondContact O-N 2.97Å; G122-E126 VanDerWaalsContact O-N 3.12Å
123	Y	96.2	Very high	96.1	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-41.9	173	-171.6	-85.7	0	0	0	111.3	K117 D120 F121 R125 E126 R127 L258 M322 Y324 L326	K117-Y123 WeakPolarHBondContact O-CA 3.36Å; K117-Y123 PolarHBondContact O-N 3.36Å; D120-Y123 WeakPolarHBondContact O-CB 3.22Å; D120-Y123 PolarHBondContact O-N 3.34Å; F121-Y123 PolarHBondContact O-N 2.95Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.81Å; Y123-E126 PolarHBondContact O-N 2.92Å; Y123-R127 HydrophobicContact CD1-CG 4.13Å; Y123-R127 HydrophobicContact CE1-CG 3.86Å; Y123-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y123-R127 VanDerWaalsContact CZ-NH1 3.31Å; Y123-R127 WeakPolarHBondContact O-CG 3.35Å; Y123-R127 PolarHBondContact O-N 3.42Å; Y123-R127 PolarHBondContact O-NH1 3.19Å; Y123-L258 HydrophobicContact CD1-CD2 3.45Å; Y123-L258 VanDerWaalsContact CD1-CD2 3.45Å; Y123-L258 HydrophobicContact CE1-CD2 3.72Å; Y123-M322 HydrophobicContact CE1-CE 4.36Å; Y123-M322 WeakPolarHBondContact OH-CE 3.41Å; Y123-Y324 VanDerWaalsContact CE2-O 3.28Å; Y123-Y324 WeakPolarHBondContact CE2-O 3.49Å; Y123-L326 HydrophobicContact CD1-CD1 3.4Å; Y123-L326 VanDerWaalsContact CD1-CD1 3.4Å; Y123-L326 HydrophobicContact CD1-CG 4Å; Y123-L326 HydrophobicContact CD2-CD1 4.33Å; Y123-L326 HydrophobicContact CD2-CD2 4.49Å; Y123-L326 HydrophobicContact CD2-CG 4.13Å; Y123-L326 HydrophobicContact CE1-CD1 3.9Å; Y123-L326 HydrophobicContact CE1-CG 4.23Å; Y123-L326 HydrophobicContact CE2-CG 4.38Å; Y123-L326 HydrophobicContact CG-CD1 3.64Å; Y123-L326 HydrophobicContact CG-CD2 4.38Å; Y123-L326 HydrophobicContact CG-CG 3.93Å
124	A	96.9	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-43	174.5	0	0	0	0	0	111	Y82 F121 E126 R127 L128 L258 V262	Y82-A124 HydrophobicContact CD1-CB 3.95Å; F121-A124 WeakPolarHBondContact O-CB 3.19Å; F121-A124 PolarHBondContact O-N 3.11Å; A124-E126 VanDerWaalsContact C-N 3.33Å; A124-E126 PolarHBondContact O-N 3.06Å; A124-R127 PolarHBondContact O-N 3Å; A124-L128 WeakPolarHBondContact O-CG 3.45Å; A124-L128 PolarHBondContact O-N 3.2Å; A124-L258 HydrophobicContact CB-CD1 3.52Å; A124-V262 HydrophobicContact CB-CG2 4.45Å
125	R	97	Very high	96.5	Very high	56 Å²	56	30.8 Å²	30.8	21%	0.211	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-46.7	177.5	-167.9	176.7	66.1	-166.9	2.4	111.7	W116 F121 G122 Y123 R127 L128 E129	W116-R125 VanDerWaalsContact CZ3-CZ 3.48Å; F121-R125 PolarHBondContact O-N 3.39Å; F121-R125 VanDerWaalsContact O-N 3.15Å; G122-R125 WeakPolarHBondContact O-CB 3.42Å; G122-R125 PolarHBondContact O-N 2.96Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.81Å; R125-R127 PolarHBondContact O-N 3.18Å; R125-L128 WeakPolarHBondContact O-CB 3.15Å; R125-L128 PolarHBondContact O-N 3.41Å; R125-E129 HydrophobicContact CG-CG 4.46Å; R125-E129 IonicContact NE-OE1 2.9Å; R125-E129 WeakPolarHBondContact O-CG 3.48Å; R125-E129 PolarHBondContact O-N 2.79Å
126	E	95.9	Very high	96.6	Very high	88 Å²	88	33.7 Å²	33.7	41%	0.411	16%	0.158	S	C	.	.	H	α-helix	trans	-63.8	-41.1	-179.5	-164.1	-172.5	-158.6	0	0	111.4	G122 Y123 A124 L128 E129 E130	G122-E126 PolarHBondContact O-N 2.97Å; G122-E126 VanDerWaalsContact O-N 3.12Å; Y123-E126 PolarHBondContact O-N 2.92Å; A124-E126 VanDerWaalsContact C-N 3.33Å; A124-E126 PolarHBondContact O-N 3.06Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 2.97Å; E126-E129 PolarHBondContact O-N 3.36Å; E126-E130 VanDerWaalsContact O-CG 3.24Å; E126-E130 WeakPolarHBondContact O-CG 3.49Å; E126-E130 PolarHBondContact O-N 3.46Å
127	R	96.5	Very high	96.7	Very high	8 Å²	8	35.2 Å²	35.2	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-39.1	175.2	-58.6	-59.8	74.4	71.7	-11.9	112.3	Y123 A124 R125 E130 M131 V262 L318	Y123-R127 HydrophobicContact CD1-CG 4.13Å; Y123-R127 HydrophobicContact CE1-CG 3.86Å; Y123-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y123-R127 VanDerWaalsContact CZ-NH1 3.31Å; Y123-R127 WeakPolarHBondContact O-CG 3.35Å; Y123-R127 PolarHBondContact O-N 3.42Å; Y123-R127 PolarHBondContact O-NH1 3.19Å; A124-R127 PolarHBondContact O-N 3Å; R125-R127 PolarHBondContact O-N 3.18Å; R127-E130 IonicContact CZ-OE1 3.88Å; R127-E130 IonicContact CZ-OE2 2.77Å; R127-E130 IonicContact NE-OE2 3.54Å; R127-E130 PolarHBondContact NE-OE2 3.04Å; R127-E130 IonicContact NH2-OE1 3.33Å; R127-E130 PolarHBondContact NH2-OE1 2.65Å; R127-E130 IonicContact NH2-OE2 2.75Å; R127-E130 PolarHBondContact NH2-OE2 2.92Å; R127-E130 PolarHBondContact O-N 3.31Å; R127-M131 WeakPolarHBondContact O-CG 3.33Å; R127-V262 HydrophobicContact CB-CG2 4.16Å; R127-L318 HydrophobicContact CG-CD2 4.12Å
128	L	96.5	Very high	96.6	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.277	18%	0.184	S	C	.	.	H	α-helix	trans	-66.7	-40.7	176.1	-72.4	167.1	0	0	0	112.1	Y82 A124 R125 E126 E130 M131 V262	Y82-L128 HydrophobicContact CD2-CD1 3.99Å; Y82-L128 HydrophobicContact CG-CD1 4.23Å; A124-L128 WeakPolarHBondContact O-CG 3.45Å; A124-L128 PolarHBondContact O-N 3.2Å; R125-L128 WeakPolarHBondContact O-CB 3.15Å; R125-L128 PolarHBondContact O-N 3.41Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 2.97Å; L128-E130 VanDerWaalsContact C-N 3.28Å; L128-E130 PolarHBondContact O-N 3.34Å; L128-M131 WeakPolarHBondContact O-CB 3.4Å; L128-M131 WeakPolarHBondContact O-CG 3.23Å; L128-M131 PolarHBondContact O-N 3.38Å; L128-V262 HydrophobicContact CD2-CG1 3.94Å; L128-V262 WeakPolarHBondContact CD2-O 3.35Å; L128-V262 HydrophobicContact CG-CG1 4.35Å
129	E	97	Very high	96.6	Very high	130 Å²	130	42.9 Å²	42.9	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-69.7	-24.9	178.6	-72.8	172.3	172.6	0	0	112.9	R125 E126	R125-E129 HydrophobicContact CG-CG 4.46Å; R125-E129 IonicContact NE-OE1 2.9Å; R125-E129 WeakPolarHBondContact O-CG 3.48Å; R125-E129 PolarHBondContact O-N 2.79Å; E126-E129 PolarHBondContact O-N 3.36Å
130	E	97.1	Very high	96.2	Very high	40 Å²	40	50 Å²	50	19%	0.187	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.9	176.9	-72.8	171	165.2	0	0	114.3	E126 R127 L128 H132 R149	E126-E130 VanDerWaalsContact O-CG 3.24Å; E126-E130 WeakPolarHBondContact O-CG 3.49Å; E126-E130 PolarHBondContact O-N 3.46Å; R127-E130 IonicContact CZ-OE1 3.88Å; R127-E130 IonicContact CZ-OE2 2.77Å; R127-E130 IonicContact NE-OE2 3.54Å; R127-E130 PolarHBondContact NE-OE2 3.04Å; R127-E130 IonicContact NH2-OE1 3.33Å; R127-E130 PolarHBondContact NH2-OE1 2.65Å; R127-E130 IonicContact NH2-OE2 2.75Å; R127-E130 PolarHBondContact NH2-OE2 2.92Å; R127-E130 PolarHBondContact O-N 3.31Å; L128-E130 VanDerWaalsContact C-N 3.28Å; L128-E130 PolarHBondContact O-N 3.34Å; E130-H132 PolarHBondContact O-N 2.93Å; E130-H132 PolarHBondContact O-ND1 3.28Å; E130-H132 VanDerWaalsContact O-ND1 3.08Å; E130-R149 HydrophobicContact CB-CB 4.15Å; E130-R149 HydrophobicContact CG-CB 4.13Å
131	M	97.8	Very high	95.9	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.133	25%	0.252	C	S	.	.			trans	-65.3	129	-176.1	-70.4	-60.8	-64.9	0	0	111.8	L16 R127 L128 M146 C147 S148 Y153	L16-M131 HydrophobicContact CD2-CB 4.35Å; R127-M131 WeakPolarHBondContact O-CG 3.33Å; L128-M131 WeakPolarHBondContact O-CB 3.4Å; L128-M131 WeakPolarHBondContact O-CG 3.23Å; L128-M131 PolarHBondContact O-N 3.38Å; M131-M146 HydrophobicContact CE-CB 3.81Å; M131-C147 WeakPolarHBondContact CA-O 3.44Å; M131-C147 VanDerWaalsContact SD-C 3.55Å; M131-S148 PolarHBondContact SD-N 3.28Å; M131-Y153 HydrophobicContact CE-CD1 4.04Å; M131-Y153 HydrophobicContact CE-CE1 3.88Å; M131-Y153 HydrophobicContact SD-CD1 3.59Å; M131-Y153 VanDerWaalsContact SD-CD1 3.59Å; M131-Y153 HydrophobicContact SD-CE1 3.89Å
132	H	97.8	Very high	95.9	Very high	50 Å²	50	51 Å²	51	23%	0.231	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.5	174.3	59.7	-79.2	0	0	0	111.2	E130 M146 C147 E197	E130-H132 PolarHBondContact O-N 2.93Å; E130-H132 PolarHBondContact O-ND1 3.28Å; E130-H132 VanDerWaalsContact O-ND1 3.08Å; H132-M146 CarbonylContact O-C 3.54Å; H132-M146 VanDerWaalsContact O-CA 3.27Å; H132-M146 WeakPolarHBondContact O-CA 3.32Å; H132-C147 PolarHBondContact CE1-O 2.84Å; H132-C147 PolarHBondContact N-O 3.01Å; H132-C147 PolarHBondContact ND1-O 3.33Å; H132-C147 VanDerWaalsContact ND1-O 3.17Å; H132-C147 PolarHBondContact O-N 2.82Å; H132-E197 IonicContact CE1-OE1 3.92Å
133	V	98.3	Very high	96	Very high	44 Å²	44	51 Å²	51	27%	0.267	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.2	179.5	-175.2	0	0	0	0	109.4	V14 C135 Q136 M146	V14-V133 HydrophobicContact CB-CG2 4.36Å; V14-V133 HydrophobicContact CG2-CG2 4.46Å; V133-C135 WeakPolarHBondContact CG1-O 3.39Å; V133-Q136 HydrophobicContact CG1-CB 4.17Å; V133-M146 HydrophobicContact CB-CG 4.39Å; V133-M146 HydrophobicContact CG1-CG 4.5Å; V133-M146 HydrophobicContact CG2-CE 3.75Å; V133-M146 HydrophobicContact CG2-CG 3.96Å; V133-M146 HydrophobicContact CG2-SD 4.09Å
134	L	98.5	Very high	96.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-32.7	171.5	-66.8	176.3	0	0	0	111.8	L145 C147 L151 L189 D190 T193 L194	L134-L145 HydrophobicContact CB-CD2 4.3Å; L134-L145 HydrophobicContact CB-CG 4.46Å; L134-L145 HydrophobicContact CD1-CD2 4.26Å; L134-L145 PolarHBondContact N-O 3.14Å; L134-C147 HydrophobicContact CD1-CB 3.89Å; L134-L151 HydrophobicContact CD1-CD1 4.13Å; L134-L189 WeakPolarHBondContact O-CA 3.32Å; L134-L189 WeakPolarHBondContact O-CD1 3.23Å; L134-D190 PolarHBondContact O-N 3.39Å; L134-T193 HydrophobicContact CD2-CG2 3.65Å; L134-L194 HydrophobicContact CD1-CD1 4.02Å; L134-L194 HydrophobicContact CD2-CB 4.42Å
135	C	98.2	Very high	96.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	108.4	-178.8	164.6	0	0	0	0	107.9	V133 S144 L145 C187 L189 Y214	V133-C135 WeakPolarHBondContact CG1-O 3.39Å; C135-S144 WeakPolarHBondContact O-CA 3.33Å; C135-L145 HydrophobicContact CB-CB 3.57Å; C135-L145 PolarHBondContact N-O 3.28Å; C135-L145 VanDerWaalsContact N-O 3.09Å; C135-L145 PolarHBondContact O-N 3.05Å; C135-L145 VanDerWaalsContact O-N 3.14Å; C135-C187 HydrophobicContact CB-CB 4.11Å; C135-C187 WeakPolarHBondContact CB-SG 3.2Å; C135-C187 WeakPolarHBondContact SG-CB 3.1Å; C135-C187 CovalentContact SG-SG 1.99Å; C135-C187 PolarHBondContact SG-SG 3.28Å; C135-L189 HydrophobicContact CB-CD1 4.09Å; C135-Y214 HydrophobicContact CB-CE1 4.08Å; C135-Y214 PolarHBondContact SG-OH 3.25Å; C135-Y214 VanDerWaalsContact SG-OH 3.42Å
136	Q	98	Very high	96.2	Very high	62 Å²	62	50 Å²	50	29%	0.29	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118	-171.7	176	63.7	53.9	0	0	110.9	V14 V133 C187 Q188	V14-Q136 VanDerWaalsContact CG2-CD 3.49Å; V133-Q136 HydrophobicContact CG1-CB 4.17Å; Q136-C187 WeakPolarHBondContact O-CB 3.34Å; Q136-Q188 HydrophobicContact CB-CB 4.28Å; Q136-Q188 PolarHBondContact N-O 2.79Å; Q136-Q188 PolarHBondContact O-N 3.46Å
137	P	97.1	Very high	96.4	Very high	32 Å²	32	45.8 Å²	45.8	21%	0.208	23%	0.233	C	C	.	.			trans	-71.6	146.4	172.1	29.6	-34.5	0	0	0	110.6	D142	P137-D142 HydrophobicContact CB-CB 3.63Å
138	K	93.4	Very high	96.4	Very high	166 Å²	166	45.4 Å²	45.4	72%	0.722	23%	0.232	S	C	*	.	S	Bend	trans	-99.1	-36.9	169.2	-62.8	-179.7	179.7	175.6	0	111.3	D142	K138-D142 WeakPolarHBondContact CA-OD2 3.48Å; K138-D142 WeakPolarHBondContact CB-OD2 3.37Å; K138-D142 PolarHBondContact N-OD2 2.79Å
139	E	92.8	Very high	96.5	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-118.9	168	178.2	-60.7	-172.9	-172.8	0	0	111.2	S141 D142	E139-S141 VanDerWaalsContact C-N 3.26Å; E139-S141 PolarHBondContact O-N 3.18Å; E139-D142 PolarHBondContact N-OD2 2.86Å; E139-D142 WeakPolarHBondContact O-CB 3.48Å; E139-D142 PolarHBondContact O-N 3.27Å
140	T	86.1	Confident	96.5	Very high	150 Å²	150	43.1 Å²	43.1	92%	0.92	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.1	-178.9	46.7	0	0	0	0	113.6
141	S	90.4	Very high	96.5	Very high	16 Å²	16	41.2 Å²	41.2	11%	0.112	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9	176.9	58.2	0	0	0	0	113.9	E139 N158 T220 E223	E139-S141 VanDerWaalsContact C-N 3.26Å; E139-S141 PolarHBondContact O-N 3.18Å; S141-N158 PolarHBondContact O-ND2 3.18Å; S141-N158 VanDerWaalsContact O-ND2 3.13Å; S141-T220 VanDerWaalsContact O-CG2 3.31Å; S141-T220 WeakPolarHBondContact O-CG2 3.27Å; S141-E223 WeakPolarHBondContact CB-OE1 3.24Å; S141-E223 WeakPolarHBondContact CB-OE2 3.28Å; S141-E223 VanDerWaalsContact OG-CD 3.24Å; S141-E223 PolarHBondContact OG-OE1 3Å; S141-E223 PolarHBondContact OG-OE2 2.89Å
142	D	95.9	Very high	96.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.027	20%	0.199	C	C	.	.	S	Bend	trans	-66.6	161.5	174.5	-76.1	-8.9	0	0	0	111.3	P137 K138 E139 N158 H186	P137-D142 HydrophobicContact CB-CB 3.63Å; K138-D142 WeakPolarHBondContact CA-OD2 3.48Å; K138-D142 WeakPolarHBondContact CB-OD2 3.37Å; K138-D142 PolarHBondContact N-OD2 2.79Å; E139-D142 PolarHBondContact N-OD2 2.86Å; E139-D142 WeakPolarHBondContact O-CB 3.48Å; E139-D142 PolarHBondContact O-N 3.27Å; D142-N158 PolarHBondContact O-ND2 2.79Å; D142-H186 VanDerWaalsContact CB-O 3.27Å; D142-H186 WeakPolarHBondContact CB-O 3.4Å; D142-H186 IonicContact OD1-CE1 3.83Å; D142-H186 PolarHBondContact OD1-CE1 3.14Å; D142-H186 IonicContact OD1-CG 2.88Å; D142-H186 IonicContact OD1-ND1 3.25Å; D142-H186 PolarHBondContact OD1-ND1 2.92Å
143	S	98.3	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-82.9	154.9	174.4	-51.1	0	0	0	0	111.3	T157 N158 G185 H186 C187	S143-T157 WeakPolarHBondContact CA-O 3.45Å; S143-T157 VanDerWaalsContact CB-O 3.32Å; S143-T157 WeakPolarHBondContact CB-O 3.45Å; S143-N158 PolarHBondContact OG-O 2.63Å; S143-G185 WeakPolarHBondContact OG-CA 3.35Å; S143-H186 PolarHBondContact N-O 2.93Å; S143-H186 PolarHBondContact OG-N 3.32Å; S143-C187 VanDerWaalsContact O-CB 3.24Å; S143-C187 WeakPolarHBondContact O-CB 3.47Å
144	S	98.3	Very high	96.5	Very high	16 Å²	16	35.9 Å²	35.9	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.7	169.2	74.8	0	0	0	0	111.3	C135 A156 T157	C135-S144 WeakPolarHBondContact O-CA 3.33Å; S144-A156 CarbonylContact O-C 3.47Å; S144-A156 WeakPolarHBondContact O-CA 3.5Å; S144-A156 WeakPolarHBondContact O-CB 3.3Å; S144-T157 WeakPolarHBondContact CB-OG1 3.2Å; S144-T157 PolarHBondContact N-O 3.13Å; S144-T157 VanDerWaalsContact N-O 3.15Å; S144-T157 PolarHBondContact N-OG1 2.81Å; S144-T157 VanDerWaalsContact N-OG1 3.14Å; S144-T157 PolarHBondContact O-N 2.86Å; S144-T157 PolarHBondContact OG-OG1 3.06Å
145	L	98.8	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.1	167.6	-176.9	67.3	0	0	0	107.9	L134 C135 C154 A156 Y214	L134-L145 HydrophobicContact CB-CD2 4.3Å; L134-L145 HydrophobicContact CB-CG 4.46Å; L134-L145 HydrophobicContact CD1-CD2 4.26Å; L134-L145 PolarHBondContact N-O 3.14Å; C135-L145 HydrophobicContact CB-CB 3.57Å; C135-L145 PolarHBondContact N-O 3.28Å; C135-L145 VanDerWaalsContact N-O 3.09Å; C135-L145 PolarHBondContact O-N 3.05Å; C135-L145 VanDerWaalsContact O-N 3.14Å; L145-C154 HydrophobicContact CD1-CB 4.08Å; L145-A156 HydrophobicContact CD1-CB 3.94Å; L145-Y214 HydrophobicContact CB-CE2 4.5Å; L145-Y214 HydrophobicContact CD2-CD1 4.42Å; L145-Y214 HydrophobicContact CD2-CD2 3.97Å; L145-Y214 HydrophobicContact CD2-CE2 4.14Å; L145-Y214 HydrophobicContact CD2-CG 4.11Å
146	M	98.4	Very high	96.5	Very high	25 Å²	25	38.8 Å²	38.8	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	173.9	-57.7	-177	63.7	0	0	108.6	L16 M131 H132 V133 C154 R155	L16-M146 HydrophobicContact CD2-CE 3.62Å; L16-M146 HydrophobicContact CG-CE 4Å; M131-M146 HydrophobicContact CE-CB 3.81Å; H132-M146 CarbonylContact O-C 3.54Å; H132-M146 VanDerWaalsContact O-CA 3.27Å; H132-M146 WeakPolarHBondContact O-CA 3.32Å; V133-M146 HydrophobicContact CB-CG 4.39Å; V133-M146 HydrophobicContact CG1-CG 4.5Å; V133-M146 HydrophobicContact CG2-CE 3.75Å; V133-M146 HydrophobicContact CG2-CG 3.96Å; V133-M146 HydrophobicContact CG2-SD 4.09Å; M146-C154 CarbonylContact O-C 3.58Å; M146-C154 WeakPolarHBondContact O-CA 3.37Å; M146-C154 WeakPolarHBondContact O-CB 3.19Å; M146-R155 PolarHBondContact N-O 3.47Å; M146-R155 PolarHBondContact O-N 3.37Å
147	C	98.6	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.4	-176	-66.3	0	0	0	0	111.4	M131 H132 L134 L151 Y153 C154	M131-C147 WeakPolarHBondContact CA-O 3.44Å; M131-C147 VanDerWaalsContact SD-C 3.55Å; H132-C147 PolarHBondContact CE1-O 2.84Å; H132-C147 PolarHBondContact N-O 3.01Å; H132-C147 PolarHBondContact ND1-O 3.33Å; H132-C147 VanDerWaalsContact ND1-O 3.17Å; H132-C147 PolarHBondContact O-N 2.82Å; L134-C147 HydrophobicContact CD1-CB 3.89Å; C147-L151 HydrophobicContact CB-CD1 4.29Å; C147-L151 HydrophobicContact CB-CG 4.15Å; C147-Y153 CarbonylContact C-O 3.51Å; C147-Y153 VanDerWaalsContact CA-O 3.27Å; C147-Y153 WeakPolarHBondContact CA-O 3.38Å; C147-C154 HydrophobicContact CB-CB 4.09Å; C147-C154 WeakPolarHBondContact CB-SG 3.45Å; C147-C154 WeakPolarHBondContact SG-CB 3.4Å; C147-C154 CovalentContact SG-SG 2.04Å; C147-C154 PolarHBondContact SG-SG 3.01Å
148	S	98	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.			trans	-73.2	169.7	161.9	75.5	0	0	0	0	109.4	M131 Y150 L151 Y153	M131-S148 PolarHBondContact SD-N 3.28Å; S148-Y150 PolarHBondContact O-N 2.97Å; S148-L151 PolarHBondContact O-N 3.4Å; S148-L151 VanDerWaalsContact O-N 3.1Å; S148-Y153 PolarHBondContact N-O 2.98Å; S148-Y153 PolarHBondContact OG-N 2.86Å; S148-Y153 VanDerWaalsContact OG-N 3.1Å
149	R	96.9	Very high	96.9	Very high	117 Å²	117	28.9 Å²	28.9	44%	0.442	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-52.2	142.4	174.8	-162.9	-179.5	179.9	176.7	1.5	111.3	E130 L151 Q152	E130-R149 HydrophobicContact CB-CB 4.15Å; E130-R149 HydrophobicContact CG-CB 4.13Å; R149-L151 PolarHBondContact O-N 3.01Å; R149-L151 VanDerWaalsContact O-N 3.15Å; R149-Q152 PolarHBondContact O-N 3.46Å
150	Y	97.5	Very high	97.1	Very high	18 Å²	18	23 Å²	23	7%	0.071	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	58.4	18	-177.2	-48.2	-58.7	0	0	0	115.1	S148 Q152 E197 Q199 R200 S206	S148-Y150 PolarHBondContact O-N 2.97Å; Y150-Q152 PolarHBondContact O-N 3.42Å; Y150-E197 WeakPolarHBondContact CA-OE2 3.21Å; Y150-E197 PolarHBondContact N-OE2 3.22Å; Y150-Q199 HydrophobicContact CD1-CB 4.2Å; Y150-Q199 HydrophobicContact CE1-CB 3.87Å; Y150-Q199 HydrophobicContact CE1-CG 4.4Å; Y150-R200 HydrophobicContact CD1-CB 4.43Å; Y150-R200 HydrophobicContact CD1-CG 4.01Å; Y150-R200 VanDerWaalsContact CD2-CD 3.46Å; Y150-R200 HydrophobicContact CD2-CG 4.02Å; Y150-R200 HydrophobicContact CE1-CG 4.25Å; Y150-R200 HydrophobicContact CE2-CG 4.24Å; Y150-R200 VanDerWaalsContact CE2-CZ 3.44Å; Y150-R200 HydrophobicContact CG-CB 4.17Å; Y150-R200 HydrophobicContact CG-CG 3.86Å; Y150-S206 WeakPolarHBondContact O-CB 3.2Å; Y150-S206 PolarHBondContact O-OG 3.05Å
151	L	97.7	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	53.1	41.9	-176.2	-75.4	57.2	0	0	0	111.2	L134 C147 S148 R149 Y153 L194 E197 W207 F208 L211	L134-L151 HydrophobicContact CD1-CD1 4.13Å; C147-L151 HydrophobicContact CB-CD1 4.29Å; C147-L151 HydrophobicContact CB-CG 4.15Å; S148-L151 PolarHBondContact O-N 3.4Å; S148-L151 VanDerWaalsContact O-N 3.1Å; R149-L151 PolarHBondContact O-N 3.01Å; R149-L151 VanDerWaalsContact O-N 3.15Å; L151-Y153 VanDerWaalsContact C-N 3.34Å; L151-L194 HydrophobicContact CD2-CD1 3.76Å; L151-E197 HydrophobicContact CD1-CB 3.3Å; L151-E197 HydrophobicContact CD1-CG 3.62Å; L151-W207 HydrophobicContact CB-CB 4.36Å; L151-W207 WeakPolarHBondContact O-CB 3.34Å; L151-W207 PolarHBondContact O-N 3.03Å; L151-F208 HydrophobicContact CB-CB 4.49Å; L151-F208 HydrophobicContact CD2-CB 4.13Å; L151-F208 HydrophobicContact CD2-CD2 4.07Å; L151-L211 HydrophobicContact CD2-CB 3.79Å; L151-L211 HydrophobicContact CD2-CD1 4.02Å; L151-L211 HydrophobicContact CG-CD1 4.48Å
152	Q	97	Very high	98.1	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	7%	0.069	C	C	.	.	S	Bend	trans	-76.2	-27.7	177.4	-71.8	-175.2	-44.9	0	0	112.2	R149 Y150 L319 M322	R149-Q152 PolarHBondContact O-N 3.46Å; Y150-Q152 PolarHBondContact O-N 3.42Å; Q152-L319 WeakPolarHBondContact O-CD1 3.4Å; Q152-M322 HydrophobicContact CB-SD 3.73Å; Q152-M322 HydrophobicContact CG-CG 4.36Å; Q152-M322 HydrophobicContact CG-SD 3.97Å
153	Y	98.3	Very high	98.2	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.02	7%	0.069	C	C	.	.	S	Bend	trans	-142.8	139.7	170.8	166.7	-94.8	0	0	0	108.2	M131 C147 S148 L151 T259 V262 N263 V315 F316 L318	M131-Y153 HydrophobicContact CE-CD1 4.04Å; M131-Y153 HydrophobicContact CE-CE1 3.88Å; M131-Y153 HydrophobicContact SD-CD1 3.59Å; M131-Y153 VanDerWaalsContact SD-CD1 3.59Å; M131-Y153 HydrophobicContact SD-CE1 3.89Å; C147-Y153 CarbonylContact C-O 3.51Å; C147-Y153 VanDerWaalsContact CA-O 3.27Å; C147-Y153 WeakPolarHBondContact CA-O 3.38Å; S148-Y153 PolarHBondContact N-O 2.98Å; S148-Y153 PolarHBondContact OG-N 2.86Å; S148-Y153 VanDerWaalsContact OG-N 3.1Å; L151-Y153 VanDerWaalsContact C-N 3.34Å; Y153-T259 HydrophobicContact CD2-CG2 4.02Å; Y153-T259 HydrophobicContact CE2-CG2 3.7Å; Y153-V262 HydrophobicContact CD1-CG1 3.7Å; Y153-V262 HydrophobicContact CD2-CG1 4.32Å; Y153-V262 HydrophobicContact CE1-CG1 3.51Å; Y153-V262 HydrophobicContact CE2-CB 4.49Å; Y153-V262 HydrophobicContact CE2-CG1 4.14Å; Y153-V262 HydrophobicContact CG-CG1 4.1Å; Y153-N263 WeakPolarHBondContact OH-CA 3.29Å; Y153-N263 WeakPolarHBondContact OH-CB 3.45Å; Y153-N263 PolarHBondContact OH-OD1 3.03Å; Y153-V315 HydrophobicContact CD2-CG1 4.32Å; Y153-V315 HydrophobicContact CE2-CG1 3.52Å; Y153-F316 WeakPolarHBondContact CA-O 3.19Å; Y153-F316 WeakPolarHBondContact CD2-O 3.17Å; Y153-L318 HydrophobicContact CD2-CG 4.49Å
154	C	98.8	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.7	173.8	-60	0	0	0	0	111.6	L145 M146 C147 L211 V315 F316	L145-C154 HydrophobicContact CD1-CB 4.08Å; M146-C154 CarbonylContact O-C 3.58Å; M146-C154 WeakPolarHBondContact O-CA 3.37Å; M146-C154 WeakPolarHBondContact O-CB 3.19Å; C147-C154 HydrophobicContact CB-CB 4.09Å; C147-C154 WeakPolarHBondContact CB-SG 3.45Å; C147-C154 WeakPolarHBondContact SG-CB 3.4Å; C147-C154 CovalentContact SG-SG 2.04Å; C147-C154 PolarHBondContact SG-SG 3.01Å; C154-L211 HydrophobicContact CB-CD1 4.32Å; C154-V315 CarbonylContact O-C 3.59Å; C154-V315 WeakPolarHBondContact O-CA 3.2Å; C154-F316 HydrophobicContact CB-CB 3.97Å; C154-F316 HydrophobicContact CB-CD2 3.83Å; C154-F316 HydrophobicContact CB-CG 4.23Å; C154-F316 PolarHBondContact N-O 2.6Å; C154-F316 VanDerWaalsContact N-O 3.14Å; C154-F316 PolarHBondContact O-N 2.83Å
155	R	98.5	Very high	97.7	Very high	62 Å²	62	25.6 Å²	25.6	23%	0.234	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136	166.8	-176	176	175	-175.1	-1.4	108.8	M146 E313 A314	M146-R155 PolarHBondContact N-O 3.47Å; M146-R155 PolarHBondContact O-N 3.37Å; R155-E313 IonicContact CZ-OE1 2.75Å; R155-E313 IonicContact NH2-OE1 3.55Å; R155-E313 PolarHBondContact NH2-OE1 3.39Å; R155-A314 CarbonylContact C-O 3.53Å; R155-A314 WeakPolarHBondContact CA-O 3.39Å
156	A	98.5	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149	176.4	0	0	0	0	0	111.1	S144 L145 L159 A314 F316	S144-A156 CarbonylContact O-C 3.47Å; S144-A156 WeakPolarHBondContact O-CA 3.5Å; S144-A156 WeakPolarHBondContact O-CB 3.3Å; L145-A156 HydrophobicContact CD1-CB 3.94Å; A156-L159 HydrophobicContact CB-CB 4.25Å; A156-A314 HydrophobicContact CB-CB 4.41Å; A156-A314 PolarHBondContact N-O 2.93Å; A156-A314 PolarHBondContact O-N 3.13Å; A156-F316 HydrophobicContact CB-CE2 4.45Å
157	T	98.4	Very high	96.9	Very high	32 Å²	32	33.9 Å²	33.9	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.6	169.5	60.5	0	0	0	0	109.9	S143 S144 L159 K312	S143-T157 WeakPolarHBondContact CA-O 3.45Å; S143-T157 VanDerWaalsContact CB-O 3.32Å; S143-T157 WeakPolarHBondContact CB-O 3.45Å; S144-T157 WeakPolarHBondContact CB-OG1 3.2Å; S144-T157 PolarHBondContact N-O 3.13Å; S144-T157 VanDerWaalsContact N-O 3.15Å; S144-T157 PolarHBondContact N-OG1 2.81Å; S144-T157 VanDerWaalsContact N-OG1 3.14Å; S144-T157 PolarHBondContact O-N 2.86Å; S144-T157 PolarHBondContact OG-OG1 3.06Å; T157-L159 PolarHBondContact O-N 3.45Å; T157-K312 CarbonylContact C-O 3.43Å; T157-K312 VanDerWaalsContact CA-O 3.23Å; T157-K312 WeakPolarHBondContact CA-O 3.34Å
158	N	98.3	Very high	96.7	Very high	21 Å²	21	36 Å²	36	11%	0.112	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	46.1	-178.5	-54.8	-46.1	0	0	0	112.4	S141 D142 S143 I222 F311 K312	S141-N158 PolarHBondContact O-ND2 3.18Å; S141-N158 VanDerWaalsContact O-ND2 3.13Å; D142-N158 PolarHBondContact O-ND2 2.79Å; S143-N158 PolarHBondContact OG-O 2.63Å; N158-I222 HydrophobicContact CB-CD1 4.45Å; N158-I222 WeakPolarHBondContact OD1-CD1 3.44Å; N158-F311 CarbonylContact C-O 3.57Å; N158-F311 VanDerWaalsContact CA-O 3.3Å; N158-F311 WeakPolarHBondContact CA-O 3.16Å; N158-F311 PolarHBondContact N-O 3.31Å; N158-K312 PolarHBondContact N-O 3.27Å
159	L	98.6	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131	-178.3	174.1	70.2	0	0	0	110.1	A156 T157 L161 I183 Y214 F237 C310 F311 A314 F316	A156-L159 HydrophobicContact CB-CB 4.25Å; T157-L159 PolarHBondContact O-N 3.45Å; L159-L161 HydrophobicContact CD2-CD2 4.39Å; L159-L161 HydrophobicContact CD2-CG 4.38Å; L159-L161 HydrophobicContact CG-CD2 4.43Å; L159-L161 HydrophobicContact CG-CG 4.45Å; L159-I183 HydrophobicContact CD1-CG1 4.24Å; L159-Y214 HydrophobicContact CD1-CD2 4.44Å; L159-Y214 HydrophobicContact CD1-CE2 3.71Å; L159-F237 HydrophobicContact CD2-CE2 3.73Å; L159-F237 HydrophobicContact CD2-CZ 4.36Å; L159-C310 CarbonylContact O-C 3.47Å; L159-C310 VanDerWaalsContact O-CA 3.22Å; L159-C310 WeakPolarHBondContact O-CA 3.43Å; L159-F311 HydrophobicContact CB-CB 4.36Å; L159-F311 HydrophobicContact CD2-CD2 4.4Å; L159-F311 PolarHBondContact N-O 3.06Å; L159-F311 PolarHBondContact O-N 3.09Å; L159-A314 HydrophobicContact CB-CB 4.4Å; L159-A314 HydrophobicContact CD2-CB 3.74Å; L159-F316 HydrophobicContact CD2-CE2 4.23Å; L159-F316 HydrophobicContact CD2-CZ 3.98Å
160	Y	98.7	Very high	96.2	Very high	11 Å²	11	39.6 Å²	39.6	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.4	173.8	176.6	-96.5	0	0	0	111.1	D162 I183 G184 L217 F219 P221 C227 R308	Y160-D162 HydrophobicContact CE1-CB 3.79Å; Y160-D162 PolarHBondContact OH-OD2 2.99Å; Y160-I183 WeakPolarHBondContact O-CA 3.3Å; Y160-G184 WeakPolarHBondContact CB-O 3.46Å; Y160-G184 PolarHBondContact N-O 3.09Å; Y160-G184 PolarHBondContact O-N 2.95Å; Y160-G184 VanDerWaalsContact O-N 3.09Å; Y160-L217 HydrophobicContact CD1-CD1 3.89Å; Y160-L217 HydrophobicContact CG-CD1 3.88Å; Y160-F219 HydrophobicContact CD2-CE2 4.24Å; Y160-F219 HydrophobicContact CE1-CZ 4.47Å; Y160-F219 HydrophobicContact CE2-CE2 4.31Å; Y160-F219 HydrophobicContact CE2-CZ 4.3Å; Y160-P221 HydrophobicContact CD2-CB 4.1Å; Y160-P221 HydrophobicContact CG-CB 4.47Å; Y160-C227 WeakPolarHBondContact CD2-SG 3.33Å; Y160-R308 HydrophobicContact CE2-CB 4.09Å; Y160-R308 HydrophobicContact CE2-CG 4.26Å; Y160-R308 WeakPolarHBondContact OH-CD 3.5Å; Y160-R308 WeakPolarHBondContact OH-CG 3.29Å
161	L	98.3	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.6	169	-61.8	-174.8	0	0	0	110.6	L159 F178 E182 I183 F237 R308 V309 F311	L159-L161 HydrophobicContact CD2-CD2 4.39Å; L159-L161 HydrophobicContact CD2-CG 4.38Å; L159-L161 HydrophobicContact CG-CD2 4.43Å; L159-L161 HydrophobicContact CG-CG 4.45Å; L161-F178 HydrophobicContact CD2-CZ 4.17Å; L161-E182 CarbonylContact C-O 3.53Å; L161-E182 WeakPolarHBondContact CA-O 3.33Å; L161-I183 HydrophobicContact CD2-CB 3.9Å; L161-I183 HydrophobicContact CD2-CD1 3.53Å; L161-I183 HydrophobicContact CD2-CG1 3.52Å; L161-F237 HydrophobicContact CD1-CZ 4.08Å; L161-R308 CarbonylContact O-C 3.5Å; L161-R308 VanDerWaalsContact O-CA 3.29Å; L161-R308 WeakPolarHBondContact O-CA 3.48Å; L161-V309 PolarHBondContact N-O 2.91Å; L161-V309 PolarHBondContact O-N 2.84Å; L161-F311 HydrophobicContact CD1-CD2 4.34Å; L161-F311 HydrophobicContact CD1-CE2 3.7Å; L161-F311 HydrophobicContact CG-CE2 4.18Å
162	D	98.1	Very high	95.7	Very high	11 Å²	11	46 Å²	46	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106	171.8	-163.6	-21.1	0	0	0	110.1	Y160 R164 E182 R308	Y160-D162 HydrophobicContact CE1-CB 3.79Å; Y160-D162 PolarHBondContact OH-OD2 2.99Å; D162-R164 VanDerWaalsContact OD1-CB 3.3Å; D162-R164 WeakPolarHBondContact OD1-CB 3.5Å; D162-R164 VanDerWaalsContact OD1-CG 3.26Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 3.25Å; D162-R164 PolarHBondContact OD1-N 2.81Å; D162-R164 VanDerWaalsContact OD1-N 3.14Å; D162-R164 IonicContact OD1-NE 2.78Å; D162-R164 PolarHBondContact OD1-NE 2.89Å; D162-R164 IonicContact OD1-NH2 2.91Å; D162-R164 IonicContact OD2-CZ 2.72Å; D162-R164 IonicContact OD2-NE 2.85Å; D162-R164 PolarHBondContact OD2-NE 2.81Å; D162-R164 IonicContact OD2-NH2 3.29Å; D162-R164 PolarHBondContact OD2-NH2 2.99Å; D162-E182 HydrophobicContact CB-CB 4.17Å; D162-E182 HydrophobicContact CB-CG 4.4Å; D162-E182 PolarHBondContact N-O 3.47Å; D162-R308 HydrophobicContact CB-CG 4.23Å
163	L	97.3	Very high	95.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.216	C	C	.	.			trans	-105.4	16.8	-178.5	-64.5	157.8	0	0	0	112	I166 F177 F178 L301 Y304 S306 K307	L163-I166 HydrophobicContact CB-CG1 4.1Å; L163-I166 HydrophobicContact CD2-CD1 4.32Å; L163-I166 HydrophobicContact CD2-CG1 3.82Å; L163-F177 HydrophobicContact CD2-CE1 4.01Å; L163-F178 HydrophobicContact CD2-CE1 3.64Å; L163-F178 HydrophobicContact CD2-CZ 3.69Å; L163-F178 HydrophobicContact CG-CE1 4.32Å; L163-L301 HydrophobicContact CD1-CD1 4.31Å; L163-Y304 WeakPolarHBondContact CB-O 3.4Å; L163-S306 PolarHBondContact O-N 2.77Å; L163-K307 WeakPolarHBondContact CA-O 3.38Å; L163-K307 WeakPolarHBondContact CB-O 3.16Å; L163-K307 PolarHBondContact N-O 3.32Å
164	R	96.2	Very high	95.3	Very high	113 Å²	113	49.9 Å²	49.9	43%	0.426	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-37	-174.5	-69.4	178.8	-62.9	164.6	2.5	113.9	D162 R308	D162-R164 VanDerWaalsContact OD1-CB 3.3Å; D162-R164 WeakPolarHBondContact OD1-CB 3.5Å; D162-R164 VanDerWaalsContact OD1-CG 3.26Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 3.25Å; D162-R164 PolarHBondContact OD1-N 2.81Å; D162-R164 VanDerWaalsContact OD1-N 3.14Å; D162-R164 IonicContact OD1-NE 2.78Å; D162-R164 PolarHBondContact OD1-NE 2.89Å; D162-R164 IonicContact OD1-NH2 2.91Å; D162-R164 IonicContact OD2-CZ 2.72Å; D162-R164 IonicContact OD2-NE 2.85Å; D162-R164 PolarHBondContact OD2-NE 2.81Å; D162-R164 IonicContact OD2-NH2 3.29Å; D162-R164 PolarHBondContact OD2-NH2 2.99Å; R164-R308 HydrophobicContact CG-CG 4.38Å
165	N	91.3	Very high	94.8	Very high	117 Å²	117	53.6 Å²	53.6	63%	0.626	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	18.9	-171.1	-61.4	-47.7	0	0	0	113.6
166	I	91.1	Very high	94.2	Very high	29 Å²	29	55 Å²	55	15%	0.149	26%	0.258	C	S	.	.			trans	-74.1	132.9	-173.8	-63.1	-63.3	0	0	0	111.6	L163 R168 F177 F178	L163-I166 HydrophobicContact CB-CG1 4.1Å; L163-I166 HydrophobicContact CD2-CD1 4.32Å; L163-I166 HydrophobicContact CD2-CG1 3.82Å; I166-R168 HydrophobicContact CG2-CG 4.13Å; I166-F177 HydrophobicContact CB-CZ 4.39Å; I166-F177 HydrophobicContact CD1-CD1 4.25Å; I166-F177 HydrophobicContact CD1-CE1 4.06Å; I166-F177 HydrophobicContact CD1-CZ 4.32Å; I166-F177 WeakPolarHBondContact CD1-O 3.03Å; I166-F177 HydrophobicContact CG1-CE1 4.43Å; I166-F177 HydrophobicContact CG1-CZ 4.41Å; I166-F177 HydrophobicContact CG2-CD2 4.19Å; I166-F177 HydrophobicContact CG2-CE1 3.98Å; I166-F177 HydrophobicContact CG2-CE2 3.27Å; I166-F177 HydrophobicContact CG2-CZ 3.17Å; I166-F178 HydrophobicContact CD1-CD1 4.18Å; I166-F178 HydrophobicContact CD1-CE1 4.19Å
167	K	89.3	Confident	93.8	Very high	169 Å²	169	55.8 Å²	55.8	74%	0.735	26%	0.261	S	S	*	.			trans	-113.2	106.7	173.7	-65.3	-177.7	-176.4	176.9	0	110.6	K174	K167-K174 PolarHBondContact O-NZ 2.72Å
168	R	93.6	Very high	93.6	Very high	46 Å²	46	54.5 Å²	54.5	17%	0.174	25%	0.253	C	S	.	.			trans	-82	144.8	177.1	-60.2	-177.1	173.2	-85	-10.5	111.2	I166 F177 D276 T277 S278 K302 D305	I166-R168 HydrophobicContact CG2-CG 4.13Å; R168-F177 HydrophobicContact CG-CE2 4.48Å; R168-D276 PolarHBondContact NH1-O 3.31Å; R168-T277 WeakPolarHBondContact CB-O 3.42Å; R168-T277 WeakPolarHBondContact CG-O 3.33Å; R168-T277 VanDerWaalsContact NH1-C 3.29Å; R168-T277 VanDerWaalsContact NH1-CA 3.32Å; R168-T277 PolarHBondContact NH1-O 3.37Å; R168-S278 PolarHBondContact NH1-O 2.94Å; R168-K302 VanDerWaalsContact CZ-CB 3.48Å; R168-K302 VanDerWaalsContact NH2-CA 3.28Å; R168-D305 WeakPolarHBondContact CD-OD2 3.43Å; R168-D305 IonicContact CZ-OD1 3.38Å; R168-D305 IonicContact CZ-OD2 2.69Å; R168-D305 VanDerWaalsContact NE-CG 3.32Å; R168-D305 IonicContact NE-OD1 2.69Å; R168-D305 PolarHBondContact NE-OD1 3.48Å; R168-D305 IonicContact NE-OD2 3.99Å; R168-D305 PolarHBondContact NE-OD2 2.92Å; R168-D305 IonicContact NH2-OD1 3.79Å; R168-D305 PolarHBondContact NH2-OD1 2.78Å; R168-D305 IonicContact NH2-OD2 3.84Å
169	N	91.5	Very high	93.3	Very high	67 Å²	67	59 Å²	59	36%	0.358	27%	0.273	S	S	.	.			trans	-130.8	-152.8	172.5	65.1	4.3	0	0	0	108.9	D171 S278 S279	N169-D171 VanDerWaalsContact OD1-CB 3.28Å; N169-D171 WeakPolarHBondContact OD1-CB 3.33Å; N169-D171 PolarHBondContact OD1-N 3.12Å; N169-S278 CarbonylContact O-C 3.54Å; N169-S278 WeakPolarHBondContact O-CA 3.49Å; N169-S278 WeakPolarHBondContact O-CB 3.41Å; N169-S279 PolarHBondContact O-N 3.44Å; N169-S279 PolarHBondContact O-OG 2.74Å
170	H	92.6	Very high	93.1	Very high	124 Å²	124	63.7 Å²	63.7	57%	0.574	31%	0.306	S	S	*	.	S	Bend	trans	-88.9	-2.7	179.4	-61.1	-43.5	0	0	0	114.1	Y280	H170-Y280 HydrophobicContact CB-CE2 3.66Å; H170-Y280 AromaticContact CE1-CE1 3.94Å; H170-Y280 AromaticContact CE1-CZ 3.61Å; H170-Y280 PolarHBondContact CE1-OH 3.41Å; H170-Y280 VanDerWaalsContact CE1-OH 3.24Å; H170-Y280 AromaticContact CG-CE2 3.74Å; H170-Y280 AromaticContact CG-CZ 3.68Å; H170-Y280 AromaticContact ND1-CE1 3.62Å; H170-Y280 AromaticContact ND1-CE2 3.38Å; H170-Y280 WeakPolarHBondContact ND1-CE2 3.48Å; H170-Y280 AromaticContact ND1-CZ 3.04Å; H170-Y280 PolarHBondContact ND1-OH 2.79Å
171	D	92.9	Very high	92.9	Very high	74 Å²	74	64.4 Å²	64.4	40%	0.396	32%	0.317	S	S	.	.			trans	-83.5	121.4	178	-171.8	-9.5	0	0	0	109.7	N169 F173 K174 T277 S278	N169-D171 VanDerWaalsContact OD1-CB 3.28Å; N169-D171 WeakPolarHBondContact OD1-CB 3.33Å; N169-D171 PolarHBondContact OD1-N 3.12Å; D171-F173 VanDerWaalsContact C-N 3.29Å; D171-F173 PolarHBondContact OD1-N 3.2Å; D171-K174 HydrophobicContact CB-CB 4.09Å; D171-K174 PolarHBondContact OD1-N 2.84Å; D171-K174 WeakPolarHBondContact OD2-CA 3.49Å; D171-T277 CarbonylContact O-C 3.49Å; D171-T277 PolarHBondContact O-OG1 3.43Å; D171-S278 WeakPolarHBondContact O-CA 3.37Å; D171-S278 WeakPolarHBondContact O-CB 3.21Å; D171-S278 PolarHBondContact O-N 3.41Å; D171-S278 VanDerWaalsContact O-N 3.17Å
172	R	93.4	Very high	92.8	Very high	80 Å²	80	65.8 Å²	65.8	30%	0.302	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.8	-179.7	-68	-170.3	-178.3	-87.5	1.9	112.8	D276 T277 G281	R172-D276 WeakPolarHBondContact CA-OD1 3.44Å; R172-D276 IonicContact CZ-OD2 3.7Å; R172-D276 IonicContact NH1-OD2 3.86Å; R172-D276 PolarHBondContact NH1-OD2 3.39Å; R172-T277 VanDerWaalsContact C-OG1 3.26Å; R172-T277 PolarHBondContact O-N 2.98Å; R172-T277 PolarHBondContact O-OG1 3.04Å; R172-T277 VanDerWaalsContact O-OG1 3.09Å; R172-G281 PolarHBondContact NH1-O 3.21Å; R172-G281 PolarHBondContact NH2-O 3.11Å; R172-G281 VanDerWaalsContact NH2-O 3.11Å
173	F	93.9	Very high	92.8	Very high	29 Å²	29	65.2 Å²	65.2	13%	0.127	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	44.7	-176.8	-51.6	-60.2	0	0	0	110.8	D171 E175 P203 L204 K239 L240 W275 T277	D171-F173 VanDerWaalsContact C-N 3.29Å; D171-F173 PolarHBondContact OD1-N 3.2Å; F173-E175 PolarHBondContact O-N 3.03Å; F173-E175 VanDerWaalsContact O-N 3.09Å; F173-P203 HydrophobicContact CB-CB 3.58Å; F173-P203 HydrophobicContact CB-CG 4.03Å; F173-P203 HydrophobicContact CD2-CB 3.73Å; F173-P203 HydrophobicContact CG-CB 3.8Å; F173-L204 HydrophobicContact CD2-CD2 4.43Å; F173-L204 HydrophobicContact CE1-CD2 4.2Å; F173-L204 HydrophobicContact CE2-CD1 4.38Å; F173-L204 HydrophobicContact CE2-CD2 3.69Å; F173-L204 HydrophobicContact CE2-CG 4.03Å; F173-L204 HydrophobicContact CZ-CD2 3.57Å; F173-L204 HydrophobicContact CZ-CG 4.41Å; F173-K239 HydrophobicContact CD1-CB 4.29Å; F173-K239 HydrophobicContact CD1-CD 3.88Å; F173-K239 HydrophobicContact CD1-CG 3.94Å; F173-K239 HydrophobicContact CE1-CB 3.6Å; F173-K239 HydrophobicContact CE1-CD 4.04Å; F173-K239 HydrophobicContact CE1-CG 3.69Å; F173-K239 HydrophobicContact CZ-CB 4.14Å; F173-L240 WeakPolarHBondContact CZ-O 3.23Å; F173-W275 WeakPolarHBondContact CE1-O 3.23Å; F173-T277 PolarHBondContact N-OG1 3.37Å
174	K	92.2	Very high	92.8	Very high	60 Å²	60	65.1 Å²	65.1	26%	0.261	32%	0.32	S	S	.	.			trans	-47.1	117.7	176	-171.2	-175.7	173.1	-165	0	110.6	K167 D171 F177 T277	K167-K174 PolarHBondContact O-NZ 2.72Å; D171-K174 HydrophobicContact CB-CB 4.09Å; D171-K174 PolarHBondContact OD1-N 2.84Å; D171-K174 WeakPolarHBondContact OD2-CA 3.49Å; K174-F177 HydrophobicContact CD-CD2 4.46Å; K174-F177 WeakPolarHBondContact O-CB 3.32Å; K174-T277 WeakPolarHBondContact CB-OG1 3.25Å; K174-T277 PolarHBondContact N-OG1 2.93Å
175	E	87.6	Confident	92.9	Very high	79 Å²	79	59.8 Å²	59.8	37%	0.369	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	156.4	170.9	-57.9	-167.2	174.8	0	0	110.6	F173 F177 K201 A209	F173-E175 PolarHBondContact O-N 3.03Å; F173-E175 VanDerWaalsContact O-N 3.09Å; E175-F177 PolarHBondContact O-N 2.96Å; E175-F177 VanDerWaalsContact O-N 3.17Å; E175-K201 WeakPolarHBondContact OE1-CE 3.46Å; E175-K201 WeakPolarHBondContact OE2-CE 3.21Å; E175-K201 IonicContact OE2-NZ 2.71Å; E175-K201 PolarHBondContact OE2-NZ 3.3Å; E175-A209 HydrophobicContact CG-CB 4.4Å
176	D	85.5	Confident	93.2	Very high	92 Å²	92	56.9 Å²	56.9	49%	0.492	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	31.3	-178.6	-48.3	-36.3	0	0	0	113.1	F178 Q179 Q212	D176-F178 PolarHBondContact O-N 3.47Å; D176-Q179 PolarHBondContact O-NE2 3.14Å; D176-Q212 PolarHBondContact OD1-NE2 3.15Å
177	F	92	Very high	93.6	Very high	15 Å²	15	55.9 Å²	55.9	7%	0.066	28%	0.277	C	S	.	.			trans	-61.2	-34.2	176.8	-172.5	-110.1	0	0	0	112.5	L163 I166 R168 K174 E175 T277 L301	L163-F177 HydrophobicContact CD2-CE1 4.01Å; I166-F177 HydrophobicContact CB-CZ 4.39Å; I166-F177 HydrophobicContact CD1-CD1 4.25Å; I166-F177 HydrophobicContact CD1-CE1 4.06Å; I166-F177 HydrophobicContact CD1-CZ 4.32Å; I166-F177 WeakPolarHBondContact CD1-O 3.03Å; I166-F177 HydrophobicContact CG1-CE1 4.43Å; I166-F177 HydrophobicContact CG1-CZ 4.41Å; I166-F177 HydrophobicContact CG2-CD2 4.19Å; I166-F177 HydrophobicContact CG2-CE1 3.98Å; I166-F177 HydrophobicContact CG2-CE2 3.27Å; I166-F177 HydrophobicContact CG2-CZ 3.17Å; R168-F177 HydrophobicContact CG-CE2 4.48Å; K174-F177 HydrophobicContact CD-CD2 4.46Å; K174-F177 WeakPolarHBondContact O-CB 3.32Å; E175-F177 PolarHBondContact O-N 2.96Å; E175-F177 VanDerWaalsContact O-N 3.17Å; F177-T277 HydrophobicContact CB-CG2 4.19Å; F177-T277 HydrophobicContact CD1-CG2 3.76Å; F177-T277 HydrophobicContact CD2-CG2 3.54Å; F177-T277 HydrophobicContact CE1-CG2 3.87Å; F177-T277 VanDerWaalsContact CE2-CB 3.43Å; F177-T277 HydrophobicContact CE2-CG2 3.64Å; F177-T277 HydrophobicContact CG-CG2 3.57Å; F177-T277 HydrophobicContact CZ-CG2 3.78Å; F177-L301 HydrophobicContact CE1-CD2 4.02Å; F177-L301 HydrophobicContact CZ-CD2 4.47Å
178	F	93.2	Very high	94	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.026	27%	0.269	C	S	.	.	S	Bend	trans	-111.8	135.9	175.1	-67	-72.1	0	0	0	111.3	L161 L163 I166 D176 E182 I183 S213 W275	L161-F178 HydrophobicContact CD2-CZ 4.17Å; L163-F178 HydrophobicContact CD2-CE1 3.64Å; L163-F178 HydrophobicContact CD2-CZ 3.69Å; L163-F178 HydrophobicContact CG-CE1 4.32Å; I166-F178 HydrophobicContact CD1-CD1 4.18Å; I166-F178 HydrophobicContact CD1-CE1 4.19Å; D176-F178 PolarHBondContact O-N 3.47Å; F178-E182 HydrophobicContact CB-CB 4.29Å; F178-E182 HydrophobicContact CD1-CB 3.86Å; F178-I183 HydrophobicContact CB-CB 4.43Å; F178-I183 HydrophobicContact CB-CG2 3.78Å; F178-I183 HydrophobicContact CD2-CB 4.47Å; F178-I183 HydrophobicContact CD2-CG2 4.36Å; F178-I183 HydrophobicContact CG-CB 4.24Å; F178-I183 HydrophobicContact CG-CG2 4.08Å; F178-S213 WeakPolarHBondContact O-CB 3.35Å; F178-S213 PolarHBondContact O-OG 3.44Å; F178-S213 VanDerWaalsContact O-OG 3.09Å; F178-W275 HydrophobicContact CD2-CZ2 4.32Å; F178-W275 AromaticContact CE2-CH2 3.57Å; F178-W275 HydrophobicContact CE2-CH2 3.57Å; F178-W275 AromaticContact CE2-CZ2 3.53Å; F178-W275 HydrophobicContact CE2-CZ2 3.53Å; F178-W275 HydrophobicContact CZ-CH2 4.25Å; F178-W275 HydrophobicContact CZ-CZ2 4.47Å
179	Q	92.8	Very high	94.2	Very high	114 Å²	114	52.5 Å²	52.5	53%	0.533	27%	0.267	S	S	.	.			trans	-89.4	170.2	169.3	-56.1	-59.4	-55.1	0	0	111.2	D176 G181 E182	D176-Q179 PolarHBondContact O-NE2 3.14Å; Q179-G181 PolarHBondContact O-N 3.44Å; Q179-E182 HydrophobicContact CB-CG 4.29Å; Q179-E182 WeakPolarHBondContact CB-OE2 3.24Å; Q179-E182 PolarHBondContact N-OE2 3.48Å; Q179-E182 WeakPolarHBondContact O-CB 3.14Å; Q179-E182 PolarHBondContact O-N 2.94Å
180	S	92.7	Very high	94.5	Very high	99 Å²	99	52.6 Å²	52.6	69%	0.692	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131.4	174.8	-176.1	0	0	0	0	111.1	E182	S180-E182 VanDerWaalsContact C-N 3.33Å
181	G	94.5	Very high	94.7	Very high	27 Å²	27	51.1 Å²	51.1	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-7.1	-175.9	0	0	0	0	0	115.6	Q179 T215	Q179-G181 PolarHBondContact O-N 3.44Å; G181-T215 PolarHBondContact N-OG1 3.02Å
182	E	96.9	Very high	94.9	Very high	28 Å²	28	57.9 Å²	57.9	13%	0.131	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.1	178.9	-60.7	-174.9	142.1	0	0	113.3	L161 D162 F178 Q179 S180	L161-E182 CarbonylContact C-O 3.53Å; L161-E182 WeakPolarHBondContact CA-O 3.33Å; D162-E182 HydrophobicContact CB-CB 4.17Å; D162-E182 HydrophobicContact CB-CG 4.4Å; D162-E182 PolarHBondContact N-O 3.47Å; F178-E182 HydrophobicContact CB-CB 4.29Å; F178-E182 HydrophobicContact CD1-CB 3.86Å; Q179-E182 HydrophobicContact CB-CG 4.29Å; Q179-E182 WeakPolarHBondContact CB-OE2 3.24Å; Q179-E182 PolarHBondContact N-OE2 3.48Å; Q179-E182 WeakPolarHBondContact O-CB 3.14Å; Q179-E182 PolarHBondContact O-N 2.94Å; S180-E182 VanDerWaalsContact C-N 3.33Å
183	I	97.8	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.5	169.4	178.8	163.8	0	0	0	108.3	L159 Y160 L161 F178 L211 S213 Y214 T215	L159-I183 HydrophobicContact CD1-CG1 4.24Å; Y160-I183 WeakPolarHBondContact O-CA 3.3Å; L161-I183 HydrophobicContact CD2-CB 3.9Å; L161-I183 HydrophobicContact CD2-CD1 3.53Å; L161-I183 HydrophobicContact CD2-CG1 3.52Å; F178-I183 HydrophobicContact CB-CB 4.43Å; F178-I183 HydrophobicContact CB-CG2 3.78Å; F178-I183 HydrophobicContact CD2-CB 4.47Å; F178-I183 HydrophobicContact CD2-CG2 4.36Å; F178-I183 HydrophobicContact CG-CB 4.24Å; F178-I183 HydrophobicContact CG-CG2 4.08Å; I183-L211 HydrophobicContact CD1-CD2 3.85Å; I183-S213 WeakPolarHBondContact CG2-OG 3.21Å; I183-Y214 HydrophobicContact CG1-CD2 4.1Å; I183-Y214 WeakPolarHBondContact O-CA 3.08Å; I183-T215 PolarHBondContact O-N 3.33Å
184	G	98	Very high	95.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-164.8	-177.3	0	0	0	0	0	115.6	Y160 Y214 T215	Y160-G184 WeakPolarHBondContact CB-O 3.46Å; Y160-G184 PolarHBondContact N-O 3.09Å; Y160-G184 PolarHBondContact O-N 2.95Å; Y160-G184 VanDerWaalsContact O-N 3.09Å; G184-Y214 VanDerWaalsContact C-CZ 3.47Å; G184-T215 WeakPolarHBondContact CA-O 3.4Å
185	G	97.9	Very high	95.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	163.1	-180	0	0	0	0	0	112.9	S143 C187 Y214 T215 L217	S143-G185 WeakPolarHBondContact OG-CA 3.35Å; G185-C187 PolarHBondContact O-N 3.05Å; G185-Y214 PolarHBondContact N-OH 3.39Å; G185-T215 PolarHBondContact N-O 2.87Å; G185-T215 VanDerWaalsContact N-O 3.11Å; G185-L217 PolarHBondContact O-N 3.01Å
186	H	98.3	Very high	95.9	Very high	57 Å²	57	55.4 Å²	55.4	26%	0.264	29%	0.287	S	S	.	.	S	Bend	trans	-83.9	102.8	175	-172.7	-109.9	0	0	0	109.8	D142 S143 L217 F219	D142-H186 VanDerWaalsContact CB-O 3.27Å; D142-H186 WeakPolarHBondContact CB-O 3.4Å; D142-H186 IonicContact OD1-CE1 3.83Å; D142-H186 PolarHBondContact OD1-CE1 3.14Å; D142-H186 IonicContact OD1-CG 2.88Å; D142-H186 IonicContact OD1-ND1 3.25Å; D142-H186 PolarHBondContact OD1-ND1 2.92Å; S143-H186 PolarHBondContact N-O 2.93Å; S143-H186 PolarHBondContact OG-N 3.32Å; H186-L217 PolarHBondContact CD2-O 2.72Å; H186-L217 VanDerWaalsContact CD2-O 3.3Å; H186-F219 WeakPolarHBondContact CB-O 3.47Å
187	C	98	Very high	96.5	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	27%	0.268	C	S	.	.	S	Bend	trans	-165.1	178.9	-175.7	67.3	0	0	0	0	110.9	C135 Q136 S143 G185 Q216	C135-C187 HydrophobicContact CB-CB 4.11Å; C135-C187 WeakPolarHBondContact CB-SG 3.2Å; C135-C187 WeakPolarHBondContact SG-CB 3.1Å; C135-C187 CovalentContact SG-SG 1.99Å; C135-C187 PolarHBondContact SG-SG 3.28Å; Q136-C187 WeakPolarHBondContact O-CB 3.34Å; S143-C187 VanDerWaalsContact O-CB 3.24Å; S143-C187 WeakPolarHBondContact O-CB 3.47Å; G185-C187 PolarHBondContact O-N 3.05Å; C187-Q216 WeakPolarHBondContact O-CG 3.43Å; C187-Q216 PolarHBondContact O-NE2 2.98Å; C187-Q216 PolarHBondContact O-OE1 3.06Å; C187-Q216 VanDerWaalsContact O-OE1 3.14Å
188	Q	98.2	Very high	96.6	Very high	120 Å²	120	52.5 Å²	52.5	56%	0.561	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.3	163.6	179.6	174.7	1.8	0	0	109.9	Q136	Q136-Q188 HydrophobicContact CB-CB 4.28Å; Q136-Q188 PolarHBondContact N-O 2.79Å; Q136-Q188 PolarHBondContact O-N 3.46Å
189	L	98.3	Very high	96.5	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.131	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.9	-177.8	-179.3	68.2	0	0	0	112	L134 C135 I191 L194 Y214 Q216	L134-L189 WeakPolarHBondContact O-CA 3.32Å; L134-L189 WeakPolarHBondContact O-CD1 3.23Å; C135-L189 HydrophobicContact CB-CD1 4.09Å; L189-I191 HydrophobicContact CD2-CD1 4.12Å; L189-I191 PolarHBondContact O-N 3.5Å; L189-L194 HydrophobicContact CD1-CD2 4.37Å; L189-Y214 HydrophobicContact CD1-CD1 3.88Å; L189-Y214 HydrophobicContact CD1-CE1 4.32Å; L189-Y214 HydrophobicContact CD2-CD1 4.27Å; L189-Y214 VanDerWaalsContact CD2-O 3.23Å; L189-Y214 WeakPolarHBondContact CD2-O 3.14Å; L189-Q216 HydrophobicContact CB-CB 3.91Å; L189-Q216 HydrophobicContact CD2-CB 4.47Å; L189-Q216 VanDerWaalsContact N-OE1 3.12Å
190	D	98	Very high	96.3	Very high	69 Å²	69	55.9 Å²	55.9	37%	0.369	29%	0.29	S	S	.	.			trans	-86.3	81.3	166.5	-171.7	-8.5	0	0	0	110.7	L134 R192 T193 L194	L134-D190 PolarHBondContact O-N 3.39Å; D190-R192 PolarHBondContact O-N 3.28Å; D190-R192 PolarHBondContact OD1-N 2.88Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 PolarHBondContact OD1-N 2.67Å; D190-T193 VanDerWaalsContact OD1-N 3.09Å; D190-T193 PolarHBondContact OD1-OG1 3.28Å; D190-T193 WeakPolarHBondContact OD2-CB 3.26Å; D190-T193 PolarHBondContact OD2-OG1 2.94Å; D190-L194 PolarHBondContact O-N 2.98Å
191	I	96.9	Very high	96.3	Very high	93 Å²	93	54.4 Å²	54.4	48%	0.477	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-30.8	179.1	-166.2	108.5	0	0	0	112.5	L189 M195	L189-I191 HydrophobicContact CD2-CD1 4.12Å; L189-I191 PolarHBondContact O-N 3.5Å; I191-M195 HydrophobicContact CG1-CG 4.26Å; I191-M195 WeakPolarHBondContact O-CB 3.48Å; I191-M195 VanDerWaalsContact O-CG 3.25Å; I191-M195 WeakPolarHBondContact O-CG 3.34Å; I191-M195 PolarHBondContact O-N 2.81Å
192	R	97.2	Very high	96.3	Very high	215 Å²	215	54.8 Å²	54.8	81%	0.811	27%	0.269	S	S	*	.	H	α-helix	trans	-69.4	-46.6	-177.7	-69	-177.8	-179.1	174.3	1.2	110.2	D190 S196	D190-R192 PolarHBondContact O-N 3.28Å; D190-R192 PolarHBondContact OD1-N 2.88Å; R192-S196 PolarHBondContact O-N 2.74Å
193	T	97.3	Very high	96.1	Very high	42 Å²	42	55.3 Å²	55.3	26%	0.258	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-47.5	176.6	-59.8	0	0	0	0	110.4	L134 D190 M195 S196	L134-T193 HydrophobicContact CD2-CG2 3.65Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 PolarHBondContact OD1-N 2.67Å; D190-T193 VanDerWaalsContact OD1-N 3.09Å; D190-T193 PolarHBondContact OD1-OG1 3.28Å; D190-T193 WeakPolarHBondContact OD2-CB 3.26Å; D190-T193 PolarHBondContact OD2-OG1 2.94Å; T193-M195 PolarHBondContact O-N 2.49Å; T193-S196 WeakPolarHBondContact O-CB 3.42Å; T193-S196 PolarHBondContact O-N 2.92Å; T193-S196 PolarHBondContact O-OG 3.21Å
194	L	97.7	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-50.6	-53.1	176.3	171.6	62	0	0	0	111.6	L134 L151 L189 D190 S196 E197 F208	L134-L194 HydrophobicContact CD1-CD1 4.02Å; L134-L194 HydrophobicContact CD2-CB 4.42Å; L151-L194 HydrophobicContact CD2-CD1 3.76Å; L189-L194 HydrophobicContact CD1-CD2 4.37Å; D190-L194 PolarHBondContact O-N 2.98Å; L194-S196 PolarHBondContact O-N 3.09Å; L194-E197 PolarHBondContact O-N 3.44Å; L194-F208 VanDerWaalsContact O-CE2 3.31Å; L194-F208 WeakPolarHBondContact O-CE2 3.45Å
195	M	97.1	Very high	95.8	Very high	97 Å²	97	58.8 Å²	58.8	48%	0.478	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-23.3	-178.1	-67.3	-55.8	-65.9	0	0	113.6	I191 T193 E197 F208 Q212	I191-M195 HydrophobicContact CG1-CG 4.26Å; I191-M195 WeakPolarHBondContact O-CB 3.48Å; I191-M195 VanDerWaalsContact O-CG 3.25Å; I191-M195 WeakPolarHBondContact O-CG 3.34Å; I191-M195 PolarHBondContact O-N 2.81Å; T193-M195 PolarHBondContact O-N 2.49Å; M195-E197 VanDerWaalsContact C-N 3.26Å; M195-E197 PolarHBondContact O-N 3.4Å; M195-F208 HydrophobicContact CE-CZ 4.25Å; M195-F208 HydrophobicContact SD-CZ 4.34Å; M195-Q212 HydrophobicContact SD-CB 4.42Å
196	S	96.6	Very high	95.8	Very high	58 Å²	58	58.8 Å²	58.8	41%	0.406	29%	0.292	S	S	.	.	H	α-helix	trans	-73.2	-17.8	179.1	81.3	0	0	0	0	113.7	R192 T193 L194 G198 Q199	R192-S196 PolarHBondContact O-N 2.74Å; T193-S196 WeakPolarHBondContact O-CB 3.42Å; T193-S196 PolarHBondContact O-N 2.92Å; T193-S196 PolarHBondContact O-OG 3.21Å; L194-S196 PolarHBondContact O-N 3.09Å; S196-G198 VanDerWaalsContact C-N 3.33Å; S196-G198 PolarHBondContact O-N 3.35Å; S196-Q199 PolarHBondContact O-NE2 3.22Å
197	E	96.8	Very high	95.7	Very high	23 Å²	23	56 Å²	56	11%	0.107	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-84.2	-2.9	-176.4	-64.3	-61.5	148.6	0	0	113.9	H132 Y150 L151 L194 M195 Q199 F208	H132-E197 IonicContact CE1-OE1 3.92Å; Y150-E197 WeakPolarHBondContact CA-OE2 3.21Å; Y150-E197 PolarHBondContact N-OE2 3.22Å; L151-E197 HydrophobicContact CD1-CB 3.3Å; L151-E197 HydrophobicContact CD1-CG 3.62Å; L194-E197 PolarHBondContact O-N 3.44Å; M195-E197 VanDerWaalsContact C-N 3.26Å; M195-E197 PolarHBondContact O-N 3.4Å; E197-Q199 PolarHBondContact O-N 3.37Å; E197-F208 HydrophobicContact CB-CD2 4.47Å
198	G	94.1	Very high	95.7	Very high	23 Å²	23	56.2 Å²	56.2	24%	0.237	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-70.2	3	-177.1	0	0	0	0	0	116.5	S196 R200 K201 F208	S196-G198 VanDerWaalsContact C-N 3.33Å; S196-G198 PolarHBondContact O-N 3.35Å; G198-R200 PolarHBondContact O-N 3.08Å; G198-K201 WeakPolarHBondContact O-CB 3.29Å; G198-K201 PolarHBondContact O-N 2.93Å; G198-K201 VanDerWaalsContact O-N 3.14Å; G198-F208 VanDerWaalsContact CA-CD2 3.46Å; G198-F208 VanDerWaalsContact CA-CE2 3.48Å
199	Q	91.3	Very high	95.6	Very high	140 Å²	140	50.8 Å²	50.8	65%	0.654	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-62.8	-24.9	-173.4	-61.4	168.1	18.1	0	0	113.8	Y150 S196 E197	Y150-Q199 HydrophobicContact CD1-CB 4.2Å; Y150-Q199 HydrophobicContact CE1-CB 3.87Å; Y150-Q199 HydrophobicContact CE1-CG 4.4Å; S196-Q199 PolarHBondContact O-NE2 3.22Å; E197-Q199 PolarHBondContact O-N 3.37Å
200	R	88.8	Confident	95.4	Very high	51 Å²	51	50 Å²	50	19%	0.192	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-115.6	28.5	177.6	-59.1	-168.5	-179.3	-178.5	3.2	112.7	Y150 G198 S202 S206 R323	Y150-R200 HydrophobicContact CD1-CB 4.43Å; Y150-R200 HydrophobicContact CD1-CG 4.01Å; Y150-R200 VanDerWaalsContact CD2-CD 3.46Å; Y150-R200 HydrophobicContact CD2-CG 4.02Å; Y150-R200 HydrophobicContact CE1-CG 4.25Å; Y150-R200 HydrophobicContact CE2-CG 4.24Å; Y150-R200 VanDerWaalsContact CE2-CZ 3.44Å; Y150-R200 HydrophobicContact CG-CB 4.17Å; Y150-R200 HydrophobicContact CG-CG 3.86Å; G198-R200 PolarHBondContact O-N 3.08Å; R200-S202 PolarHBondContact O-N 3.39Å; R200-S206 WeakPolarHBondContact O-CB 3.29Å; R200-R323 PolarHBondContact NH1-O 2.97Å
201	K	93.3	Very high	95.4	Very high	67 Å²	67	46.7 Å²	46.7	29%	0.291	23%	0.233	S	C	.	.			trans	-55.6	114.6	176.7	-177	-177.4	175.5	-176.3	0	110.1	E175 G198 F208 A209	E175-K201 WeakPolarHBondContact OE1-CE 3.46Å; E175-K201 WeakPolarHBondContact OE2-CE 3.21Å; E175-K201 IonicContact OE2-NZ 2.71Å; E175-K201 PolarHBondContact OE2-NZ 3.3Å; G198-K201 WeakPolarHBondContact O-CB 3.29Å; G198-K201 PolarHBondContact O-N 2.93Å; G198-K201 VanDerWaalsContact O-N 3.14Å; K201-F208 HydrophobicContact CB-CD1 4Å; K201-F208 HydrophobicContact CD-CD1 3.89Å; K201-F208 HydrophobicContact CD-CE1 4.19Å; K201-F208 HydrophobicContact CG-CD1 3.96Å; K201-A209 HydrophobicContact CG-CB 4.27Å
202	S	93.5	Very high	95.3	Very high	35 Å²	35	44.1 Å²	44.1	25%	0.245	22%	0.219	C	C	.	.			trans	-166.3	141.1	172.3	171.8	0	0	0	0	108.4	R200 L204 Q205 S206	R200-S202 PolarHBondContact O-N 3.39Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.42Å; S202-L204 VanDerWaalsContact O-N 3.1Å; S202-Q205 PolarHBondContact O-N 2.85Å; S202-S206 PolarHBondContact O-N 3.41Å; S202-S206 VanDerWaalsContact O-N 3.09Å
203	P	92.4	Very high	95.2	Very high	40 Å²	40	35 Å²	35	26%	0.26	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-49	-171.8	-38.1	39.2	0	0	0	116.2	F173 K239	F173-P203 HydrophobicContact CB-CB 3.58Å; F173-P203 HydrophobicContact CB-CG 4.03Å; F173-P203 HydrophobicContact CD2-CB 3.73Å; F173-P203 HydrophobicContact CG-CB 3.8Å; P203-K239 WeakPolarHBondContact O-CD 3.38Å; P203-K239 WeakPolarHBondContact O-CE 3.22Å; P203-K239 PolarHBondContact O-NZ 3.28Å
204	L	95	Very high	95.2	Very high	21 Å²	21	33 Å²	33	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	15.4	-176.1	-64.5	-178.7	0	0	0	113	F173 S202 K239 D241 L319 P320 R321	F173-L204 HydrophobicContact CD2-CD2 4.43Å; F173-L204 HydrophobicContact CE1-CD2 4.2Å; F173-L204 HydrophobicContact CE2-CD1 4.38Å; F173-L204 HydrophobicContact CE2-CD2 3.69Å; F173-L204 HydrophobicContact CE2-CG 4.03Å; F173-L204 HydrophobicContact CZ-CD2 3.57Å; F173-L204 HydrophobicContact CZ-CG 4.41Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.42Å; S202-L204 VanDerWaalsContact O-N 3.1Å; L204-K239 HydrophobicContact CD2-CB 3.69Å; L204-D241 HydrophobicContact CD1-CB 4.35Å; L204-D241 WeakPolarHBondContact CD1-OD1 3.37Å; L204-L319 WeakPolarHBondContact O-CB 3.33Å; L204-P320 HydrophobicContact CB-CG 4.18Å; L204-P320 HydrophobicContact CD1-CG 4.35Å; L204-P320 HydrophobicContact CD2-CG 3.96Å; L204-P320 HydrophobicContact CG-CG 4.39Å; L204-R321 HydrophobicContact CB-CB 3.7Å; L204-R321 HydrophobicContact CB-CG 3.7Å; L204-R321 HydrophobicContact CD1-CG 3.83Å; L204-R321 HydrophobicContact CG-CG 4.44Å; L204-R321 CarbonylContact O-C 3.31Å; L204-R321 WeakPolarHBondContact O-CA 3.39Å; L204-R321 WeakPolarHBondContact O-CB 3.29Å; L204-R321 PolarHBondContact O-N 3.43Å
205	Q	95.7	Very high	95.2	Very high	51 Å²	51	34.4 Å²	34.4	24%	0.238	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-19.1	-178.3	-44	-167.2	2.8	0	0	114	S202 R321	S202-Q205 PolarHBondContact O-N 2.85Å; Q205-R321 HydrophobicContact CG-CB 4.27Å; Q205-R321 VanDerWaalsContact CG-O 3.27Å; Q205-R321 WeakPolarHBondContact CG-O 3.4Å
206	S	96.7	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.			trans	-154.5	150.8	179.6	173.5	0	0	0	0	111.6	Y150 R200 S202 F208 K239	Y150-S206 WeakPolarHBondContact O-CB 3.2Å; Y150-S206 PolarHBondContact O-OG 3.05Å; R200-S206 WeakPolarHBondContact O-CB 3.29Å; S202-S206 PolarHBondContact O-N 3.41Å; S202-S206 VanDerWaalsContact O-N 3.09Å; S206-F208 VanDerWaalsContact C-N 3.3Å; S206-F208 WeakPolarHBondContact OG-CB 3.41Å; S206-F208 PolarHBondContact OG-N 3.37Å; S206-K239 PolarHBondContact O-NZ 3.48Å
207	W	97.8	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-87	3.5	167.9	-66.7	102.9	0	0	0	113.7	L151 A209 E210 L211 F237 K239 W275 F316 S317 L319	L151-W207 HydrophobicContact CB-CB 4.36Å; L151-W207 WeakPolarHBondContact O-CB 3.34Å; L151-W207 PolarHBondContact O-N 3.03Å; W207-A209 VanDerWaalsContact C-N 3.27Å; W207-A209 PolarHBondContact O-N 3.01Å; W207-E210 WeakPolarHBondContact CA-OE2 3.45Å; W207-E210 HydrophobicContact CE3-CG 4.22Å; W207-E210 PolarHBondContact O-N 3.27Å; W207-E210 VanDerWaalsContact O-N 3.14Å; W207-L211 HydrophobicContact CB-CD1 3.91Å; W207-L211 HydrophobicContact CB-CG 4.47Å; W207-L211 PolarHBondContact O-N 3.28Å; W207-F237 HydrophobicContact CH2-CB 3.89Å; W207-F237 HydrophobicContact CZ2-CB 4.45Å; W207-F237 WeakPolarHBondContact CZ2-O 3.38Å; W207-F237 HydrophobicContact CZ3-CB 4.41Å; W207-K239 HydrophobicContact CE3-CD 4.38Å; W207-K239 HydrophobicContact CH2-CD 4.24Å; W207-K239 HydrophobicContact CH2-CG 3.67Å; W207-K239 HydrophobicContact CZ2-CG 4.31Å; W207-K239 HydrophobicContact CZ3-CD 4.05Å; W207-K239 VanDerWaalsContact CZ3-CE 3.49Å; W207-K239 HydrophobicContact CZ3-CG 3.84Å; W207-W275 HydrophobicContact CH2-CB 4Å; W207-W275 HydrophobicContact CH2-CG 4.21Å; W207-W275 HydrophobicContact CZ3-CB 4.05Å; W207-W275 AromaticContact CZ3-CD2 3.81Å; W207-W275 HydrophobicContact CZ3-CD2 3.81Å; W207-W275 HydrophobicContact CZ3-CE3 4.18Å; W207-W275 AromaticContact CZ3-CG 3.74Å; W207-W275 HydrophobicContact CZ3-CG 3.74Å; W207-F316 HydrophobicContact CD2-CB 3.89Å; W207-F316 AromaticContact CD2-CD1 3.74Å; W207-F316 HydrophobicContact CD2-CD1 3.74Å; W207-F316 HydrophobicContact CD2-CG 4.28Å; W207-F316 AromaticContact CE3-CD1 3.63Å; W207-F316 HydrophobicContact CE3-CD1 3.63Å; W207-F316 HydrophobicContact CE3-CE1 4.34Å; W207-F316 HydrophobicContact CG-CB 3.87Å; W207-F316 HydrophobicContact CG-CD1 4.19Å; W207-F316 HydrophobicContact CG-CG 4.4Å; W207-F316 HydrophobicContact CH2-CD1 4.35Å; W207-F316 HydrophobicContact CZ2-CB 4.31Å; W207-F316 HydrophobicContact CZ2-CD1 4.49Å; W207-F316 AromaticContact CZ3-CD1 3.95Å; W207-F316 HydrophobicContact CZ3-CD1 3.95Å; W207-S317 PolarHBondContact NE1-O 3.22Å; W207-L319 HydrophobicContact CD2-CD2 4.35Å; W207-L319 HydrophobicContact CG-CD1 4.32Å; W207-L319 HydrophobicContact CZ2-CD2 4.25Å
208	F	97.3	Very high	95.3	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-37.4	-177.1	178.5	-91.5	0	0	0	112.8	L151 L194 M195 E197 G198 K201 S206 E210 L211 Q212	L151-F208 HydrophobicContact CB-CB 4.49Å; L151-F208 HydrophobicContact CD2-CB 4.13Å; L151-F208 HydrophobicContact CD2-CD2 4.07Å; L194-F208 VanDerWaalsContact O-CE2 3.31Å; L194-F208 WeakPolarHBondContact O-CE2 3.45Å; M195-F208 HydrophobicContact CE-CZ 4.25Å; M195-F208 HydrophobicContact SD-CZ 4.34Å; E197-F208 HydrophobicContact CB-CD2 4.47Å; G198-F208 VanDerWaalsContact CA-CD2 3.46Å; G198-F208 VanDerWaalsContact CA-CE2 3.48Å; K201-F208 HydrophobicContact CB-CD1 4Å; K201-F208 HydrophobicContact CD-CD1 3.89Å; K201-F208 HydrophobicContact CD-CE1 4.19Å; K201-F208 HydrophobicContact CG-CD1 3.96Å; S206-F208 VanDerWaalsContact C-N 3.3Å; S206-F208 WeakPolarHBondContact OG-CB 3.41Å; S206-F208 PolarHBondContact OG-N 3.37Å; F208-E210 PolarHBondContact O-N 3.25Å; F208-L211 PolarHBondContact O-N 2.79Å; F208-Q212 HydrophobicContact CD1-CB 4.3Å; F208-Q212 HydrophobicContact CE1-CB 3.9Å; F208-Q212 HydrophobicContact CE2-CB 4.24Å; F208-Q212 HydrophobicContact CZ-CB 3.86Å; F208-Q212 WeakPolarHBondContact O-CB 3.06Å; F208-Q212 WeakPolarHBondContact O-CG 3.48Å; F208-Q212 PolarHBondContact O-N 3.01Å
209	A	95.6	Very high	95.4	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-32	-179.8	0	0	0	0	0	112.8	E175 K201 W207 Q212	E175-A209 HydrophobicContact CG-CB 4.4Å; K201-A209 HydrophobicContact CG-CB 4.27Å; W207-A209 VanDerWaalsContact C-N 3.27Å; W207-A209 PolarHBondContact O-N 3.01Å; A209-Q212 WeakPolarHBondContact O-CG 3.3Å; A209-Q212 PolarHBondContact O-NE2 2.83Å; A209-Q212 VanDerWaalsContact O-NE2 3.12Å
210	E	94.9	Very high	95.7	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-85.2	-35	179.3	-66	67.7	-156.8	0	0	112.3	W207 F208 K239 W275	W207-E210 WeakPolarHBondContact CA-OE2 3.45Å; W207-E210 HydrophobicContact CE3-CG 4.22Å; W207-E210 PolarHBondContact O-N 3.27Å; W207-E210 VanDerWaalsContact O-N 3.14Å; F208-E210 PolarHBondContact O-N 3.25Å; E210-K239 WeakPolarHBondContact OE1-CE 3.2Å; E210-K239 IonicContact OE1-NZ 3.69Å; E210-K239 PolarHBondContact OE1-NZ 3.09Å; E210-K239 IonicContact OE2-NZ 3.8Å; E210-K239 PolarHBondContact OE2-NZ 3.27Å; E210-W275 HydrophobicContact CB-CH2 4.41Å; E210-W275 HydrophobicContact CB-CZ2 3.72Å; E210-W275 VanDerWaalsContact CG-CE2 3.48Å; E210-W275 HydrophobicContact CG-CH2 4.4Å; E210-W275 HydrophobicContact CG-CZ2 3.34Å; E210-W275 VanDerWaalsContact CG-NE1 3.35Å
211	L	96.9	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-98.2	-9.4	-173.4	-67	173.2	0	0	0	113.8	L151 C154 I183 W207 F208 S213 Y214 F316	L151-L211 HydrophobicContact CD2-CB 3.79Å; L151-L211 HydrophobicContact CD2-CD1 4.02Å; L151-L211 HydrophobicContact CG-CD1 4.48Å; C154-L211 HydrophobicContact CB-CD1 4.32Å; I183-L211 HydrophobicContact CD1-CD2 3.85Å; W207-L211 HydrophobicContact CB-CD1 3.91Å; W207-L211 HydrophobicContact CB-CG 4.47Å; W207-L211 PolarHBondContact O-N 3.28Å; F208-L211 PolarHBondContact O-N 2.79Å; L211-S213 PolarHBondContact O-N 3.27Å; L211-S213 VanDerWaalsContact O-N 3.16Å; L211-Y214 HydrophobicContact CD2-CD2 4.08Å; L211-Y214 WeakPolarHBondContact O-CB 3.45Å; L211-Y214 PolarHBondContact O-N 3.22Å; L211-F316 HydrophobicContact CD1-CD2 4.5Å; L211-F316 HydrophobicContact CD2-CE1 4.2Å; L211-F316 HydrophobicContact CD2-CE2 4.17Å; L211-F316 HydrophobicContact CD2-CZ 3.8Å
212	Q	95.9	Very high	96.1	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.187	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.2	176.3	60	177.9	-12.6	0	0	112.9	D176 M195 F208 A209	D176-Q212 PolarHBondContact OD1-NE2 3.15Å; M195-Q212 HydrophobicContact SD-CB 4.42Å; F208-Q212 HydrophobicContact CD1-CB 4.3Å; F208-Q212 HydrophobicContact CE1-CB 3.9Å; F208-Q212 HydrophobicContact CE2-CB 4.24Å; F208-Q212 HydrophobicContact CZ-CB 3.86Å; F208-Q212 WeakPolarHBondContact O-CB 3.06Å; F208-Q212 WeakPolarHBondContact O-CG 3.48Å; F208-Q212 PolarHBondContact O-N 3.01Å; A209-Q212 WeakPolarHBondContact O-CG 3.3Å; A209-Q212 PolarHBondContact O-NE2 2.83Å; A209-Q212 VanDerWaalsContact O-NE2 3.12Å
213	S	95	Very high	96.2	Very high	22 Å²	22	33.8 Å²	33.8	15%	0.154	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.4	175.2	54	0	0	0	0	113.7	F178 I183 L211 T215	F178-S213 WeakPolarHBondContact O-CB 3.35Å; F178-S213 PolarHBondContact O-OG 3.44Å; F178-S213 VanDerWaalsContact O-OG 3.09Å; I183-S213 WeakPolarHBondContact CG2-OG 3.21Å; L211-S213 PolarHBondContact O-N 3.27Å; L211-S213 VanDerWaalsContact O-N 3.16Å; S213-T215 PolarHBondContact O-N 2.98Å; S213-T215 PolarHBondContact O-OG1 2.93Å
214	Y	97.8	Very high	96.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.181	C	C	.	.			trans	-55.9	123.2	176.6	-168.3	-78.4	0	0	0	110.3	C135 L145 L159 I183 G184 G185 L189 L211	C135-Y214 HydrophobicContact CB-CE1 4.08Å; C135-Y214 PolarHBondContact SG-OH 3.25Å; C135-Y214 VanDerWaalsContact SG-OH 3.42Å; L145-Y214 HydrophobicContact CB-CE2 4.5Å; L145-Y214 HydrophobicContact CD2-CD1 4.42Å; L145-Y214 HydrophobicContact CD2-CD2 3.97Å; L145-Y214 HydrophobicContact CD2-CE2 4.14Å; L145-Y214 HydrophobicContact CD2-CG 4.11Å; L159-Y214 HydrophobicContact CD1-CD2 4.44Å; L159-Y214 HydrophobicContact CD1-CE2 3.71Å; I183-Y214 HydrophobicContact CG1-CD2 4.1Å; I183-Y214 WeakPolarHBondContact O-CA 3.08Å; G184-Y214 VanDerWaalsContact C-CZ 3.47Å; G185-Y214 PolarHBondContact N-OH 3.39Å; L189-Y214 HydrophobicContact CD1-CD1 3.88Å; L189-Y214 HydrophobicContact CD1-CE1 4.32Å; L189-Y214 HydrophobicContact CD2-CD1 4.27Å; L189-Y214 VanDerWaalsContact CD2-O 3.23Å; L189-Y214 WeakPolarHBondContact CD2-O 3.14Å; L211-Y214 HydrophobicContact CD2-CD2 4.08Å; L211-Y214 WeakPolarHBondContact O-CB 3.45Å; L211-Y214 PolarHBondContact O-N 3.22Å
215	T	97.9	Very high	96.5	Very high	28 Å²	28	38.5 Å²	38.5	17%	0.172	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.4	-169.6	-59.1	0	0	0	0	111.3	G181 I183 G184 G185 S213 L217	G181-T215 PolarHBondContact N-OG1 3.02Å; I183-T215 PolarHBondContact O-N 3.33Å; G184-T215 WeakPolarHBondContact CA-O 3.4Å; G185-T215 PolarHBondContact N-O 2.87Å; G185-T215 VanDerWaalsContact N-O 3.11Å; S213-T215 PolarHBondContact O-N 2.98Å; S213-T215 PolarHBondContact O-OG1 2.93Å; T215-L217 HydrophobicContact CG2-CD2 4.34Å; T215-L217 PolarHBondContact O-N 3.1Å
216	Q	98	Very high	96.6	Very high	105 Å²	105	40 Å²	40	49%	0.491	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	110.7	164.9	170.9	170.5	-28.3	0	0	109	C187 L189	C187-Q216 WeakPolarHBondContact O-CG 3.43Å; C187-Q216 PolarHBondContact O-NE2 2.98Å; C187-Q216 PolarHBondContact O-OE1 3.06Å; C187-Q216 VanDerWaalsContact O-OE1 3.14Å; L189-Q216 HydrophobicContact CB-CB 3.91Å; L189-Q216 HydrophobicContact CD2-CB 4.47Å; L189-Q216 VanDerWaalsContact N-OE1 3.12Å
217	L	97.7	Very high	96.6	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	22%	0.219	C	C	.	.			trans	-82.7	156.7	179.3	-57.2	175.8	0	0	0	110.4	Y160 G185 H186 T215 F219 P221	Y160-L217 HydrophobicContact CD1-CD1 3.89Å; Y160-L217 HydrophobicContact CG-CD1 3.88Å; G185-L217 PolarHBondContact O-N 3.01Å; H186-L217 PolarHBondContact CD2-O 2.72Å; H186-L217 VanDerWaalsContact CD2-O 3.3Å; T215-L217 HydrophobicContact CG2-CD2 4.34Å; T215-L217 PolarHBondContact O-N 3.1Å; L217-F219 HydrophobicContact CB-CD1 4.43Å; L217-F219 HydrophobicContact CB-CE1 4.28Å; L217-F219 HydrophobicContact CB-CE2 4.47Å; L217-F219 HydrophobicContact CB-CZ 4.31Å; L217-F219 HydrophobicContact CD1-CE1 4.47Å; L217-F219 HydrophobicContact CD1-CE2 3.78Å; L217-F219 HydrophobicContact CD1-CZ 3.74Å; L217-F219 HydrophobicContact CD2-CE1 4.21Å; L217-F219 HydrophobicContact CD2-CZ 4.12Å; L217-F219 HydrophobicContact CG-CZ 4.27Å; L217-P221 HydrophobicContact CD1-CG 3.99Å
218	N	96.6	Very high	96.6	Very high	146 Å²	146	44.9 Å²	44.9	78%	0.781	24%	0.241	S	C	*	.	S	Bend	trans	-102.1	15	177	68.1	-23.3	0	0	0	112.9
219	F	96.4	Very high	96.7	Very high	40 Å²	40	46.7 Å²	46.7	18%	0.175	25%	0.25	C	S	.	.	S	Bend	trans	-143.2	149.3	-179.6	59.9	-103.1	0	0	0	108.8	Y160 H186 L217 P221 D224 K226	Y160-F219 HydrophobicContact CD2-CE2 4.24Å; Y160-F219 HydrophobicContact CE1-CZ 4.47Å; Y160-F219 HydrophobicContact CE2-CE2 4.31Å; Y160-F219 HydrophobicContact CE2-CZ 4.3Å; H186-F219 WeakPolarHBondContact CB-O 3.47Å; L217-F219 HydrophobicContact CB-CD1 4.43Å; L217-F219 HydrophobicContact CB-CE1 4.28Å; L217-F219 HydrophobicContact CB-CE2 4.47Å; L217-F219 HydrophobicContact CB-CZ 4.31Å; L217-F219 HydrophobicContact CD1-CE1 4.47Å; L217-F219 HydrophobicContact CD1-CE2 3.78Å; L217-F219 HydrophobicContact CD1-CZ 3.74Å; L217-F219 HydrophobicContact CD2-CE1 4.21Å; L217-F219 HydrophobicContact CD2-CZ 4.12Å; L217-F219 HydrophobicContact CG-CZ 4.27Å; F219-P221 HydrophobicContact CD2-CG 4.37Å; F219-P221 HydrophobicContact CE2-CB 4.32Å; F219-P221 HydrophobicContact CE2-CG 4.17Å; F219-P221 WeakPolarHBondContact O-CD 3.36Å; F219-D224 WeakPolarHBondContact CA-OD2 3.48Å; F219-D224 WeakPolarHBondContact CB-OD2 3.48Å; F219-K226 HydrophobicContact CB-CG 4.4Å; F219-K226 HydrophobicContact CD2-CB 3.92Å; F219-K226 HydrophobicContact CD2-CG 3.45Å; F219-K226 VanDerWaalsContact CD2-CG 3.45Å; F219-K226 HydrophobicContact CE2-CB 3.72Å; F219-K226 HydrophobicContact CE2-CG 3.76Å; F219-K226 HydrophobicContact CG-CG 3.95Å; F219-K226 HydrophobicContact CZ-CB 4.45Å
220	T	96.9	Very high	96.8	Very high	14 Å²	14	49 Å²	49	9%	0.086	26%	0.264	C	S	.	.			trans	-82.4	111.6	174.8	-56.7	0	0	0	0	108.9	S141 I222 E223 D224	S141-T220 VanDerWaalsContact O-CG2 3.31Å; S141-T220 WeakPolarHBondContact O-CG2 3.27Å; T220-I222 VanDerWaalsContact C-N 3.34Å; T220-I222 PolarHBondContact O-N 3.09Å; T220-I222 VanDerWaalsContact O-N 3.16Å; T220-E223 HydrophobicContact CG2-CB 3.8Å; T220-E223 HydrophobicContact CG2-CG 3.83Å; T220-D224 PolarHBondContact N-OD2 3.25Å; T220-D224 VanDerWaalsContact O-CB 3.27Å; T220-D224 WeakPolarHBondContact O-CB 3.44Å; T220-D224 PolarHBondContact O-N 2.9Å
221	P	94.9	Very high	97	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-41.3	-164.7	-29.9	37.1	0	0	0	115.5	Y160 L217 F219 K226 C310	Y160-P221 HydrophobicContact CD2-CB 4.1Å; Y160-P221 HydrophobicContact CG-CB 4.47Å; L217-P221 HydrophobicContact CD1-CG 3.99Å; F219-P221 HydrophobicContact CD2-CG 4.37Å; F219-P221 HydrophobicContact CE2-CB 4.32Å; F219-P221 HydrophobicContact CE2-CG 4.17Å; F219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-K226 PolarHBondContact O-N 3.35Å; P221-C310 WeakPolarHBondContact CB-SG 3.45Å
222	I	96	Very high	97.1	Very high	37 Å²	37	54.7 Å²	54.7	19%	0.19	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-50.1	-177.3	-61.9	178.2	0	0	0	111.2	N158 T220 D224 A225 V230 C310 K312	N158-I222 HydrophobicContact CB-CD1 4.45Å; N158-I222 WeakPolarHBondContact OD1-CD1 3.44Å; T220-I222 VanDerWaalsContact C-N 3.34Å; T220-I222 PolarHBondContact O-N 3.09Å; T220-I222 VanDerWaalsContact O-N 3.16Å; I222-D224 PolarHBondContact O-N 2.85Å; I222-A225 PolarHBondContact O-N 3.46Å; I222-A225 VanDerWaalsContact O-N 3.1Å; I222-V230 HydrophobicContact CD1-CG1 3.91Å; I222-V230 HydrophobicContact CG1-CG1 4.19Å; I222-V230 HydrophobicContact CG2-CG1 4.25Å; I222-V230 HydrophobicContact CG2-CG2 4.44Å; I222-C310 HydrophobicContact CD1-CB 4.14Å; I222-C310 HydrophobicContact CG1-CB 3.63Å; I222-K312 HydrophobicContact CD1-CG 3.63Å
223	E	95.1	Very high	97.1	Very high	126 Å²	126	54.6 Å²	54.6	59%	0.589	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-38.9	-176.3	-63.7	-168.5	145.3	0	0	112.8	S141 T220 A225	S141-E223 WeakPolarHBondContact CB-OE1 3.24Å; S141-E223 WeakPolarHBondContact CB-OE2 3.28Å; S141-E223 VanDerWaalsContact OG-CD 3.24Å; S141-E223 PolarHBondContact OG-OE1 3Å; S141-E223 PolarHBondContact OG-OE2 2.89Å; T220-E223 HydrophobicContact CG2-CB 3.8Å; T220-E223 HydrophobicContact CG2-CG 3.83Å; E223-A225 PolarHBondContact O-N 3.08Å
224	D	96.6	Very high	97.3	Very high	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	10.5	177.7	-61.1	-24.8	0	0	0	112.8	F219 T220 I222 K226	F219-D224 WeakPolarHBondContact CA-OD2 3.48Å; F219-D224 WeakPolarHBondContact CB-OD2 3.48Å; T220-D224 PolarHBondContact N-OD2 3.25Å; T220-D224 VanDerWaalsContact O-CB 3.27Å; T220-D224 WeakPolarHBondContact O-CB 3.44Å; T220-D224 PolarHBondContact O-N 2.9Å; I222-D224 PolarHBondContact O-N 2.85Å; D224-K226 VanDerWaalsContact C-N 3.33Å; D224-K226 HydrophobicContact CB-CD 4.38Å; D224-K226 HydrophobicContact CB-CG 3.93Å; D224-K226 PolarHBondContact O-N 2.83Å
225	A	96.7	Very high	97.3	Very high	82 Å²	82	55.3 Å²	55.3	68%	0.678	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.7	179	0	0	0	0	0	113.5	I222 E223	I222-A225 PolarHBondContact O-N 3.46Å; I222-A225 VanDerWaalsContact O-N 3.1Å; E223-A225 PolarHBondContact O-N 3.08Å
226	K	97.3	Very high	97.4	Very high	83 Å²	83	54.2 Å²	54.2	36%	0.361	29%	0.287	S	S	.	.			trans	-88.7	-10	-176.6	-60.2	-60.1	-172.3	-168.9	0	114.2	F219 P221 D224 R308	F219-K226 HydrophobicContact CB-CG 4.4Å; F219-K226 HydrophobicContact CD2-CB 3.92Å; F219-K226 HydrophobicContact CD2-CG 3.45Å; F219-K226 VanDerWaalsContact CD2-CG 3.45Å; F219-K226 HydrophobicContact CE2-CB 3.72Å; F219-K226 HydrophobicContact CE2-CG 3.76Å; F219-K226 HydrophobicContact CG-CG 3.95Å; F219-K226 HydrophobicContact CZ-CB 4.45Å; P221-K226 PolarHBondContact O-N 3.35Å; D224-K226 VanDerWaalsContact C-N 3.33Å; D224-K226 HydrophobicContact CB-CD 4.38Å; D224-K226 HydrophobicContact CB-CG 3.93Å; D224-K226 PolarHBondContact O-N 2.83Å; K226-R308 WeakPolarHBondContact O-CD 3.48Å; K226-R308 VanDerWaalsContact O-CZ 3.23Å; K226-R308 PolarHBondContact O-NE 3.04Å; K226-R308 PolarHBondContact O-NH1 2.85Å; K226-R308 VanDerWaalsContact O-NH1 3.09Å
227	C	97.8	Very high	97.4	Very high	18 Å²	18	49.2 Å²	49.2	12%	0.122	26%	0.264	C	S	.	.			trans	-100.8	144.6	178.1	-74.5	0	0	0	0	112.3	Y160 I229 V230 C310	Y160-C227 WeakPolarHBondContact CD2-SG 3.33Å; C227-I229 WeakPolarHBondContact CB-O 3.44Å; C227-V230 HydrophobicContact CB-CG2 4.41Å; C227-C310 HydrophobicContact CB-CB 3.64Å; C227-C310 WeakPolarHBondContact CB-SG 3.36Å; C227-C310 VanDerWaalsContact SG-CA 3.5Å; C227-C310 WeakPolarHBondContact SG-CB 3.2Å; C227-C310 PolarHBondContact SG-N 3.4Å; C227-C310 CovalentContact SG-SG 2.02Å; C227-C310 PolarHBondContact SG-SG 3.37Å
228	D	98.4	Very high	97.5	Very high	84 Å²	84	48.8 Å²	48.8	45%	0.449	26%	0.261	S	S	.	.	S	Bend	trans	-78.7	-27.3	173.5	-51.8	-51.9	0	0	0	110.7	K307 R308	D228-K307 HydrophobicContact CB-CB 4.45Å; D228-R308 PolarHBondContact N-O 2.94Å; D228-R308 IonicContact OD1-CZ 3.06Å; D228-R308 IonicContact OD1-NE 2.75Å; D228-R308 IonicContact OD1-NH2 2.74Å; D228-R308 PolarHBondContact OD1-NH2 2.86Å; D228-R308 PolarHBondContact OD2-N 3.3Å; D228-R308 IonicContact OD2-NE 2.71Å; D228-R308 PolarHBondContact OD2-NE 2.77Å; D228-R308 IonicContact OD2-NH2 3.41Å
229	I	98.2	Very high	97.5	Very high	48 Å²	48	41.9 Å²	41.9	25%	0.246	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.4	175.3	-59.9	-179	0	0	0	109.3	C227 I231 K307 R308 V309 C310	C227-I229 WeakPolarHBondContact CB-O 3.44Å; I229-I231 HydrophobicContact CG2-CD1 3.6Å; I229-I231 HydrophobicContact CG2-CG1 4.25Å; I229-K307 HydrophobicContact CD1-CD 3.37Å; I229-K307 HydrophobicContact CG1-CD 4.1Å; I229-R308 PolarHBondContact N-O 3.17Å; I229-R308 VanDerWaalsContact N-O 3.16Å; I229-V309 HydrophobicContact CB-CG1 4.26Å; I229-V309 HydrophobicContact CB-CG2 4.36Å; I229-V309 HydrophobicContact CG2-CG1 4.31Å; I229-V309 WeakPolarHBondContact O-CA 3.32Å; I229-C310 PolarHBondContact O-N 2.96Å
230	V	98.6	Very high	97.5	Very high	55 Å²	55	40.4 Å²	40.4	33%	0.333	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	168.9	-176.1	0	0	0	0	108.8	I222 C227 E232 C310	I222-V230 HydrophobicContact CD1-CG1 3.91Å; I222-V230 HydrophobicContact CG1-CG1 4.19Å; I222-V230 HydrophobicContact CG2-CG1 4.25Å; I222-V230 HydrophobicContact CG2-CG2 4.44Å; C227-V230 HydrophobicContact CB-CG2 4.41Å; V230-E232 WeakPolarHBondContact CG1-OE1 3.02Å; V230-C310 CarbonylContact C-O 3.32Å; V230-C310 WeakPolarHBondContact CA-O 3.23Å; V230-C310 HydrophobicContact CG1-CB 4.48Å; V230-C310 HydrophobicContact CG2-CB 4.27Å
231	I	98.5	Very high	97.4	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104.8	175.8	-54.4	-60	0	0	0	107.9	I229 T235 Y271 Y304 V309 C310 F311 K312	I229-I231 HydrophobicContact CG2-CD1 3.6Å; I229-I231 HydrophobicContact CG2-CG1 4.25Å; I231-T235 WeakPolarHBondContact CG2-OG1 3.22Å; I231-Y271 HydrophobicContact CG2-CD2 3.66Å; I231-Y271 HydrophobicContact CG2-CE2 3.96Å; I231-Y304 HydrophobicContact CD1-CE1 4.3Å; I231-V309 HydrophobicContact CG1-CG1 3.77Å; I231-C310 PolarHBondContact N-O 2.58Å; I231-F311 HydrophobicContact CB-CD1 3.63Å; I231-F311 HydrophobicContact CB-CE1 3.97Å; I231-F311 HydrophobicContact CB-CG 4.32Å; I231-F311 HydrophobicContact CG1-CD1 3.83Å; I231-F311 HydrophobicContact CG1-CE1 3.64Å; I231-F311 HydrophobicContact CG1-CZ 4.22Å; I231-F311 HydrophobicContact CG2-CD1 3.88Å; I231-F311 HydrophobicContact CG2-CE1 4.18Å; I231-K312 PolarHBondContact O-N 3.14Å
232	E	97.9	Very high	97.4	Very high	112 Å²	112	42.7 Å²	42.7	52%	0.523	23%	0.234	S	C	.	.			trans	-75.4	-28.9	-179.6	-66.5	-68.5	144.8	0	0	112.7	V230 K312	V230-E232 WeakPolarHBondContact CG1-OE1 3.02Å; E232-K312 VanDerWaalsContact CD-CE 3.44Å; E232-K312 WeakPolarHBondContact OE1-CE 3.14Å; E232-K312 IonicContact OE1-NZ 3.78Å; E232-K312 PolarHBondContact OE1-NZ 3.08Å; E232-K312 WeakPolarHBondContact OE2-CD 3.47Å; E232-K312 WeakPolarHBondContact OE2-CE 3.42Å; E232-K312 IonicContact OE2-NZ 3.87Å; E232-K312 PolarHBondContact OE2-NZ 3.04Å
233	K	97.6	Very high	97.3	Very high	38 Å²	38	41 Å²	41	17%	0.165	23%	0.226	C	C	.	.	S	Bend	trans	-80.6	142.1	-175	-168	172.9	-60.5	-62.1	0	111	T235 D269 Y271 Y296	K233-T235 PolarHBondContact O-N 3.11Å; K233-T235 PolarHBondContact O-OG1 2.82Å; K233-T235 VanDerWaalsContact O-OG1 3.09Å; K233-D269 WeakPolarHBondContact CE-OD1 3.45Å; K233-D269 WeakPolarHBondContact CG-O 3.3Å; K233-D269 IonicContact NZ-OD1 3.03Å; K233-D269 PolarHBondContact NZ-OD1 3.25Å; K233-D269 IonicContact NZ-OD2 3.4Å; K233-D269 PolarHBondContact NZ-OD2 2.86Å; K233-Y271 HydrophobicContact CB-CD2 4.01Å; K233-Y271 HydrophobicContact CB-CE2 3.98Å; K233-Y271 HydrophobicContact CD-CD1 3.95Å; K233-Y271 HydrophobicContact CD-CD2 4.33Å; K233-Y271 HydrophobicContact CD-CE1 3.88Å; K233-Y271 HydrophobicContact CD-CE2 4.28Å; K233-Y271 HydrophobicContact CD-CG 4.17Å; K233-Y296 HydrophobicContact CD-CD2 4.3Å; K233-Y296 HydrophobicContact CD-CE2 3.65Å; K233-Y296 VanDerWaalsContact CE-OH 3.23Å; K233-Y296 WeakPolarHBondContact CE-OH 3.12Å; K233-Y296 PolarHBondContact NZ-OH 3.41Å
234	P	98.4	Very high	97.2	Very high	39 Å²	39	39.5 Å²	39.5	25%	0.253	23%	0.225	S	C	.	.			trans	-54.8	130.2	174	-23.6	33	0	0	0	110.9	V270 Y271 E313	P234-V270 HydrophobicContact CB-CG1 4.23Å; P234-V270 WeakPolarHBondContact O-CA 3.35Å; P234-Y271 PolarHBondContact O-N 2.78Å; P234-E313 HydrophobicContact CB-CB 4.39Å; P234-E313 WeakPolarHBondContact CG-OE2 2.96Å
235	T	98.9	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.5	-173.7	-62.1	0	0	0	0	111.3	I231 K233 F237 Y271 V273 F311 E313 A314 V315	I231-T235 WeakPolarHBondContact CG2-OG1 3.22Å; K233-T235 PolarHBondContact O-N 3.11Å; K233-T235 PolarHBondContact O-OG1 2.82Å; K233-T235 VanDerWaalsContact O-OG1 3.09Å; T235-F237 HydrophobicContact CG2-CE1 4.12Å; T235-F237 HydrophobicContact CG2-CZ 4.28Å; T235-Y271 CarbonylContact C-O 3.6Å; T235-Y271 VanDerWaalsContact CA-O 3.32Å; T235-Y271 WeakPolarHBondContact CA-O 3.43Å; T235-V273 HydrophobicContact CG2-CB 4.2Å; T235-V273 HydrophobicContact CG2-CG2 3.52Å; T235-F311 HydrophobicContact CG2-CD1 3.85Å; T235-F311 HydrophobicContact CG2-CE1 3.79Å; T235-F311 WeakPolarHBondContact OG1-CD1 3.44Å; T235-E313 PolarHBondContact N-O 2.71Å; T235-A314 CarbonylContact O-C 3.49Å; T235-A314 VanDerWaalsContact O-CA 3.29Å; T235-A314 WeakPolarHBondContact O-CA 3.49Å; T235-V315 PolarHBondContact O-N 3.21Å
236	Y	98.9	Very high	97.1	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.9	176.4	-73.8	-118	0	0	0	109.2	L256 T259 N263 V270 Y271 I272 V273 V315	Y236-L256 HydrophobicContact CD1-CD1 3.95Å; Y236-L256 HydrophobicContact CE1-CD1 4.49Å; Y236-T259 HydrophobicContact CD1-CG2 4.03Å; Y236-T259 HydrophobicContact CE1-CG2 3.84Å; Y236-N263 PolarHBondContact OH-ND2 2.82Å; Y236-V270 HydrophobicContact CD2-CB 4.21Å; Y236-V270 HydrophobicContact CD2-CG2 4.39Å; Y236-V270 HydrophobicContact CE2-CB 4.2Å; Y236-V270 HydrophobicContact CE2-CG1 4.05Å; Y236-V270 HydrophobicContact CE2-CG2 4.46Å; Y236-Y271 PolarHBondContact N-O 2.88Å; Y236-I272 CarbonylContact O-C 3.5Å; Y236-I272 WeakPolarHBondContact O-CA 3.19Å; Y236-V273 PolarHBondContact O-N 3.37Å; Y236-V315 CarbonylContact C-O 3.49Å; Y236-V315 WeakPolarHBondContact CA-O 3.38Å; Y236-V315 HydrophobicContact CD1-CB 3.98Å; Y236-V315 HydrophobicContact CD1-CG1 3.85Å; Y236-V315 HydrophobicContact CD2-CB 4.37Å; Y236-V315 HydrophobicContact CE1-CB 4.2Å; Y236-V315 HydrophobicContact CE1-CG1 3.94Å; Y236-V315 HydrophobicContact CE1-CG2 4.42Å; Y236-V315 HydrophobicContact CE2-CG2 4.3Å; Y236-V315 HydrophobicContact CG-CB 4.09Å; Y236-V315 HydrophobicContact CG-CG1 4.45Å
237	F	98.9	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.9	169.1	-63.9	-58.5	0	0	0	110	L159 L161 W207 T235 V273 W275 F311 A314 V315 F316 S317	L159-F237 HydrophobicContact CD2-CE2 3.73Å; L159-F237 HydrophobicContact CD2-CZ 4.36Å; L161-F237 HydrophobicContact CD1-CZ 4.08Å; W207-F237 HydrophobicContact CH2-CB 3.89Å; W207-F237 HydrophobicContact CZ2-CB 4.45Å; W207-F237 WeakPolarHBondContact CZ2-O 3.38Å; W207-F237 HydrophobicContact CZ3-CB 4.41Å; T235-F237 HydrophobicContact CG2-CE1 4.12Å; T235-F237 HydrophobicContact CG2-CZ 4.28Å; F237-V273 WeakPolarHBondContact CA-O 3.28Å; F237-V273 HydrophobicContact CD1-CB 3.63Å; F237-V273 HydrophobicContact CD1-CG1 3.79Å; F237-V273 HydrophobicContact CD1-CG2 4.46Å; F237-V273 HydrophobicContact CE1-CB 3.78Å; F237-V273 HydrophobicContact CE1-CG1 3.81Å; F237-V273 HydrophobicContact CE1-CG2 4.18Å; F237-W275 HydrophobicContact CB-CE3 4.06Å; F237-W275 AromaticContact CD1-CE3 3.71Å; F237-W275 HydrophobicContact CD1-CE3 3.71Å; F237-W275 AromaticContact CD1-CZ3 4Å; F237-W275 HydrophobicContact CD1-CZ3 4Å; F237-W275 HydrophobicContact CD2-CZ3 4.29Å; F237-W275 HydrophobicContact CE1-CE3 4.33Å; F237-W275 HydrophobicContact CE1-CZ3 4.25Å; F237-W275 HydrophobicContact CE2-CZ3 4.49Å; F237-W275 AromaticContact CG-CE3 3.86Å; F237-W275 HydrophobicContact CG-CE3 3.86Å; F237-W275 HydrophobicContact CG-CZ3 4.05Å; F237-W275 HydrophobicContact CZ-CZ3 4.49Å; F237-F311 HydrophobicContact CE1-CE1 4.37Å; F237-F311 HydrophobicContact CE1-CZ 4.19Å; F237-F311 HydrophobicContact CZ-CD1 4.28Å; F237-F311 HydrophobicContact CZ-CD2 4.13Å; F237-F311 HydrophobicContact CZ-CE1 4.05Å; F237-F311 AromaticContact CZ-CE2 3.93Å; F237-F311 HydrophobicContact CZ-CE2 3.93Å; F237-F311 HydrophobicContact CZ-CG 4.32Å; F237-F311 AromaticContact CZ-CZ 3.87Å; F237-F311 HydrophobicContact CZ-CZ 3.87Å; F237-A314 HydrophobicContact CD2-CB 4.3Å; F237-A314 HydrophobicContact CE2-CB 3.74Å; F237-V315 PolarHBondContact N-O 2.86Å; F237-F316 HydrophobicContact CB-CD1 4.12Å; F237-F316 HydrophobicContact CB-CE1 4.47Å; F237-F316 AromaticContact CD2-CD1 3.92Å; F237-F316 HydrophobicContact CD2-CD1 3.92Å; F237-F316 AromaticContact CD2-CE1 3.61Å; F237-F316 HydrophobicContact CD2-CE1 3.61Å; F237-F316 HydrophobicContact CD2-CE2 4.23Å; F237-F316 HydrophobicContact CD2-CG 4.36Å; F237-F316 AromaticContact CD2-CZ 3.78Å; F237-F316 HydrophobicContact CD2-CZ 3.78Å; F237-F316 HydrophobicContact CE2-CE1 4.24Å; F237-F316 HydrophobicContact CE2-CZ 4.04Å; F237-F316 HydrophobicContact CG-CD1 4.42Å; F237-F316 HydrophobicContact CG-CE1 4.31Å; F237-S317 WeakPolarHBondContact O-CB 3.5Å; F237-S317 PolarHBondContact O-N 3.05Å; F237-S317 PolarHBondContact O-OG 3.27Å
238	M	98.3	Very high	96.9	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.3	-179.5	-67.5	-168	70.7	0	0	112.1	L240 D252 L256 I272 V273 W275 W290	M238-L240 HydrophobicContact CB-CD2 4.04Å; M238-L240 HydrophobicContact CE-CD2 3.96Å; M238-D252 HydrophobicContact CE-CB 4.37Å; M238-L256 HydrophobicContact CE-CB 3.75Å; M238-L256 HydrophobicContact CE-CD1 4.33Å; M238-L256 HydrophobicContact CE-CD2 4.13Å; M238-L256 HydrophobicContact CE-CG 4.29Å; M238-L256 HydrophobicContact SD-CB 4.27Å; M238-L256 HydrophobicContact SD-CD1 3.81Å; M238-L256 HydrophobicContact SD-CD2 3.71Å; M238-L256 HydrophobicContact SD-CG 4.14Å; M238-I272 HydrophobicContact CG-CG2 4.06Å; M238-I272 HydrophobicContact SD-CG2 3.73Å; M238-V273 PolarHBondContact N-O 3Å; M238-W275 WeakPolarHBondContact O-CB 3.48Å; M238-W275 PolarHBondContact O-N 3.31Å; M238-W290 HydrophobicContact CE-CH2 4.09Å; M238-W290 HydrophobicContact CE-CZ3 4.28Å; M238-W290 HydrophobicContact SD-CH2 3.83Å; M238-W290 HydrophobicContact SD-CZ3 3.65Å
239	K	97.3	Very high	96.8	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.161	C	C	.	.			trans	-101.6	128.8	163.8	-65.9	176.5	-176	169.1	0	108.9	F173 P203 L204 S206 W207 E210 W275 L319	F173-K239 HydrophobicContact CD1-CB 4.29Å; F173-K239 HydrophobicContact CD1-CD 3.88Å; F173-K239 HydrophobicContact CD1-CG 3.94Å; F173-K239 HydrophobicContact CE1-CB 3.6Å; F173-K239 HydrophobicContact CE1-CD 4.04Å; F173-K239 HydrophobicContact CE1-CG 3.69Å; F173-K239 HydrophobicContact CZ-CB 4.14Å; P203-K239 WeakPolarHBondContact O-CD 3.38Å; P203-K239 WeakPolarHBondContact O-CE 3.22Å; P203-K239 PolarHBondContact O-NZ 3.28Å; L204-K239 HydrophobicContact CD2-CB 3.69Å; S206-K239 PolarHBondContact O-NZ 3.48Å; W207-K239 HydrophobicContact CE3-CD 4.38Å; W207-K239 HydrophobicContact CH2-CD 4.24Å; W207-K239 HydrophobicContact CH2-CG 3.67Å; W207-K239 HydrophobicContact CZ2-CG 4.31Å; W207-K239 HydrophobicContact CZ3-CD 4.05Å; W207-K239 VanDerWaalsContact CZ3-CE 3.49Å; W207-K239 HydrophobicContact CZ3-CG 3.84Å; E210-K239 WeakPolarHBondContact OE1-CE 3.2Å; E210-K239 IonicContact OE1-NZ 3.69Å; E210-K239 PolarHBondContact OE1-NZ 3.09Å; E210-K239 IonicContact OE2-NZ 3.8Å; E210-K239 PolarHBondContact OE2-NZ 3.27Å; K239-W275 HydrophobicContact CG-CB 3.94Å; K239-W275 HydrophobicContact CG-CG 4.23Å; K239-L319 HydrophobicContact CB-CD2 4.27Å; K239-L319 HydrophobicContact CD-CD2 3.81Å; K239-L319 HydrophobicContact CG-CD2 4.43Å
240	L	95.9	Very high	96.8	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	15%	0.149	C	C	.	.			trans	-105.3	143	-172	-51.2	-179.6	0	0	0	111.5	F173 M238 D252 M274 Y282 W290	F173-L240 WeakPolarHBondContact CZ-O 3.23Å; M238-L240 HydrophobicContact CB-CD2 4.04Å; M238-L240 HydrophobicContact CE-CD2 3.96Å; L240-D252 WeakPolarHBondContact CA-OD1 3.43Å; L240-D252 HydrophobicContact CD2-CB 3.98Å; L240-M274 HydrophobicContact CD1-CG 3.79Å; L240-M274 HydrophobicContact CD1-SD 3.59Å; L240-M274 VanDerWaalsContact CD1-SD 3.59Å; L240-M274 HydrophobicContact CG-CG 4.09Å; L240-M274 HydrophobicContact CG-SD 4.37Å; L240-Y282 HydrophobicContact CB-CE2 4.06Å; L240-Y282 WeakPolarHBondContact CB-OH 3.5Å; L240-Y282 HydrophobicContact CD1-CD1 4.36Å; L240-Y282 HydrophobicContact CD1-CE1 3.72Å; L240-Y282 HydrophobicContact CD1-CE2 4.22Å; L240-W290 HydrophobicContact CD1-CH2 4.47Å; L240-W290 HydrophobicContact CD1-CZ2 4.06Å; L240-W290 HydrophobicContact CD2-CH2 3.87Å; L240-W290 HydrophobicContact CD2-CZ2 4.22Å
241	D	94.9	Very high	96.7	Very high	34 Å²	34	25 Å²	25	18%	0.182	13%	0.133	C	C	.	.	S	Bend	trans	-73.9	-70.8	179	-169	48.6	0	0	0	111.5	L204 H248 D252 P320 R321	L204-D241 HydrophobicContact CD1-CB 4.35Å; L204-D241 WeakPolarHBondContact CD1-OD1 3.37Å; D241-H248 WeakPolarHBondContact CB-O 3.24Å; D241-H248 VanDerWaalsContact OD2-CB 3.27Å; D241-H248 WeakPolarHBondContact OD2-CB 3.36Å; D241-H248 IonicContact OD2-CG 3.5Å; D241-H248 IonicContact OD2-ND1 3.88Å; D241-H248 PolarHBondContact OD2-ND1 3.45Å; D241-D252 PolarHBondContact N-OD1 3.03Å; D241-D252 PolarHBondContact N-OD2 3.12Å; D241-D252 VanDerWaalsContact N-OD2 3.14Å; D241-P320 HydrophobicContact CB-CB 4.2Å; D241-P320 HydrophobicContact CB-CG 4.19Å; D241-R321 VanDerWaalsContact CG-NE 3.28Å; D241-R321 VanDerWaalsContact CG-NH2 3.3Å; D241-R321 IonicContact OD1-CZ 3.04Å; D241-R321 IonicContact OD1-NE 2.65Å; D241-R321 PolarHBondContact OD1-NE 2.81Å; D241-R321 IonicContact OD1-NH2 2.85Å; D241-R321 PolarHBondContact OD1-NH2 3.31Å; D241-R321 IonicContact OD2-CZ 3.55Å; D241-R321 VanDerWaalsContact OD2-CZ 3.27Å; D241-R321 IonicContact OD2-NE 3.32Å; D241-R321 PolarHBondContact OD2-NE 3.22Å; D241-R321 IonicContact OD2-NH2 3.3Å; D241-R321 PolarHBondContact OD2-NH2 3.41Å
242	A	94.5	Very high	96.6	Very high	28 Å²	28	24.4 Å²	24.4	23%	0.231	13%	0.13	C	C	.	.			trans	-162.5	109	175.7	0	0	0	0	0	114.9	V244 N245 H248 H249	A242-V244 PolarHBondContact O-N 3.36Å; A242-V244 VanDerWaalsContact O-N 3.12Å; A242-N245 PolarHBondContact O-N 2.79Å; A242-H248 HydrophobicContact CB-CB 3.82Å; A242-H249 WeakPolarHBondContact O-CB 3.45Å
243	G	94.3	Very high	96.6	Very high	2 Å²	2	19 Å²	19	2%	0.021	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.8	-176.3	0	0	0	0	0	116.1	Y282 G283 L285 F286	G243-Y282 WeakPolarHBondContact CA-OH 3.22Å; G243-Y282 PolarHBondContact N-OH 2.81Å; G243-G283 CarbonylContact C-O 3.6Å; G243-G283 VanDerWaalsContact C-O 3.31Å; G243-G283 WeakPolarHBondContact CA-O 3.1Å; G243-L285 PolarHBondContact O-N 3Å; G243-F286 WeakPolarHBondContact O-CD2 3.43Å
244	V	94.3	Very high	96.6	Very high	95 Å²	95	17.3 Å²	17.3	58%	0.576	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.6	178.9	-61.1	0	0	0	0	113.9	A242 L285	A242-V244 PolarHBondContact O-N 3.36Å; A242-V244 VanDerWaalsContact O-N 3.12Å; V244-L285 HydrophobicContact CB-CD1 4.23Å; V244-L285 HydrophobicContact CB-CG 4.48Å; V244-L285 HydrophobicContact CG1-CG 4.43Å
245	N	95.1	Very high	96.6	Very high	54 Å²	54	15.5 Å²	15.5	29%	0.289	9%	0.086	S	C	.	.	S	Bend	trans	-139.1	119.3	-179.7	-179.7	-52	0	0	0	109.7	A242 Y247 H248 H249 A428	A242-N245 PolarHBondContact O-N 2.79Å; N245-Y247 VanDerWaalsContact C-N 3.32Å; N245-Y247 PolarHBondContact O-N 3.35Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.42Å; N245-Y247 PolarHBondContact OD1-N 3.31Å; N245-H248 HydrophobicContact CB-CB 4.2Å; N245-H248 VanDerWaalsContact CG-CD2 3.44Å; N245-H248 PolarHBondContact O-N 3.22Å; N245-H248 VanDerWaalsContact O-N 3.09Å; N245-H248 PolarHBondContact OD1-N 2.83Å; N245-H249 PolarHBondContact O-N 3.04Å; N245-A428 WeakPolarHBondContact OD1-CB 3.3Å
246	M	96.2	Very high	96.6	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-57	-42.4	-173.6	-164.5	-177.4	176.6	0	0	112.9	H248 H249 F250 F286 F409 A428 T431 H432 F435	M246-H248 VanDerWaalsContact C-N 3.31Å; M246-H248 PolarHBondContact O-N 2.98Å; M246-H249 PolarHBondContact O-N 3.39Å; M246-F250 HydrophobicContact CB-CD2 4.39Å; M246-F250 HydrophobicContact CE-CD2 3.97Å; M246-F250 HydrophobicContact CE-CE2 3.7Å; M246-F250 HydrophobicContact CE-CZ 4.09Å; M246-F250 HydrophobicContact CG-CD2 3.32Å; M246-F250 HydrophobicContact CG-CE2 3.56Å; M246-F250 HydrophobicContact CG-CG 4.33Å; M246-F250 WeakPolarHBondContact O-CB 3.22Å; M246-F250 WeakPolarHBondContact O-CD2 3.36Å; M246-F250 PolarHBondContact O-N 3.2Å; M246-F250 HydrophobicContact SD-CE2 4.44Å; M246-F286 HydrophobicContact CB-CE1 3.77Å; M246-F286 HydrophobicContact CB-CE2 4.02Å; M246-F286 HydrophobicContact CB-CZ 3.44Å; M246-F286 VanDerWaalsContact CB-CZ 3.44Å; M246-F286 HydrophobicContact CG-CD1 4.33Å; M246-F286 HydrophobicContact CG-CE1 3.87Å; M246-F286 HydrophobicContact CG-CZ 4.03Å; M246-F286 HydrophobicContact SD-CE1 4.41Å; M246-F409 HydrophobicContact CE-CE2 3.96Å; M246-F409 HydrophobicContact CE-CZ 4.07Å; M246-F409 HydrophobicContact SD-CE2 4.44Å; M246-A428 HydrophobicContact CB-CB 4.33Å; M246-T431 HydrophobicContact CE-CG2 4.13Å; M246-T431 HydrophobicContact CG-CG2 3.88Å; M246-T431 HydrophobicContact SD-CG2 4.19Å; M246-H432 PolarHBondContact SD-CE1 3.16Å; M246-H432 PolarHBondContact SD-ND1 3.37Å; M246-H432 VanDerWaalsContact SD-ND1 3.37Å; M246-F435 HydrophobicContact CE-CD2 4.15Å; M246-F435 HydrophobicContact CE-CE2 3.83Å
247	Y	95.3	Very high	96.6	Very high	31 Å²	31	15.5 Å²	15.5	12%	0.122	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-40.7	179.8	-173.8	-106.1	0	0	0	111.5	N245 F327 Y328 T431 C453 Y454 L457	N245-Y247 VanDerWaalsContact C-N 3.32Å; N245-Y247 PolarHBondContact O-N 3.35Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.42Å; N245-Y247 PolarHBondContact OD1-N 3.31Å; Y247-F327 HydrophobicContact CD1-CE1 4.42Å; Y247-F327 AromaticContact CD2-CE1 3.88Å; Y247-F327 HydrophobicContact CD2-CE1 3.88Å; Y247-F327 AromaticContact CD2-CZ 3.84Å; Y247-F327 HydrophobicContact CD2-CZ 3.84Å; Y247-F327 HydrophobicContact CE1-CE1 4.25Å; Y247-F327 AromaticContact CE2-CE1 3.67Å; Y247-F327 HydrophobicContact CE2-CE1 3.67Å; Y247-F327 AromaticContact CE2-CZ 3.88Å; Y247-F327 HydrophobicContact CE2-CZ 3.88Å; Y247-F327 HydrophobicContact CG-CE1 4.23Å; Y247-F327 HydrophobicContact CG-CZ 4.41Å; Y247-F327 AromaticContact CZ-CE1 3.84Å; Y247-F327 WeakPolarHBondContact O-CE1 2.98Å; Y247-F327 VanDerWaalsContact O-CZ 3.24Å; Y247-F327 WeakPolarHBondContact O-CZ 2.94Å; Y247-Y328 HydrophobicContact CD1-CE1 4.37Å; Y247-Y328 AromaticContact CD1-CZ 3.9Å; Y247-Y328 WeakPolarHBondContact CD1-OH 3.29Å; Y247-Y328 AromaticContact CE1-CE1 3.55Å; Y247-Y328 HydrophobicContact CE1-CE1 3.55Å; Y247-Y328 AromaticContact CE1-CZ 3.51Å; Y247-Y328 WeakPolarHBondContact CE1-OH 3.43Å; Y247-T431 VanDerWaalsContact CA-OG1 3.29Å; Y247-T431 WeakPolarHBondContact CA-OG1 3.46Å; Y247-T431 WeakPolarHBondContact CB-OG1 3.21Å; Y247-T431 PolarHBondContact N-OG1 2.99Å; Y247-C453 PolarHBondContact OH-SG 3.45Å; Y247-Y454 AromaticContact CD2-CE1 3.87Å; Y247-Y454 HydrophobicContact CD2-CE1 3.87Å; Y247-Y454 HydrophobicContact CE2-CE1 4.33Å; Y247-L457 HydrophobicContact CD2-CD2 4.33Å; Y247-L457 HydrophobicContact CE2-CD2 4.18Å
248	H	95	Very high	96.6	Very high	56 Å²	56	15.5 Å²	15.5	26%	0.259	9%	0.086	S	C	.	.	H	α-helix	trans	-73.6	-37.7	176.3	-71.4	-61.7	0	0	0	112.8	D241 A242 N245 M246 C251 R321 Y328	D241-H248 WeakPolarHBondContact CB-O 3.24Å; D241-H248 VanDerWaalsContact OD2-CB 3.27Å; D241-H248 WeakPolarHBondContact OD2-CB 3.36Å; D241-H248 IonicContact OD2-CG 3.5Å; D241-H248 IonicContact OD2-ND1 3.88Å; D241-H248 PolarHBondContact OD2-ND1 3.45Å; A242-H248 HydrophobicContact CB-CB 3.82Å; N245-H248 HydrophobicContact CB-CB 4.2Å; N245-H248 VanDerWaalsContact CG-CD2 3.44Å; N245-H248 PolarHBondContact O-N 3.22Å; N245-H248 VanDerWaalsContact O-N 3.09Å; N245-H248 PolarHBondContact OD1-N 2.83Å; M246-H248 VanDerWaalsContact C-N 3.31Å; M246-H248 PolarHBondContact O-N 2.98Å; H248-C251 PolarHBondContact O-SG 3.09Å; H248-R321 PolarHBondContact CE1-NH2 3.35Å; H248-R321 VanDerWaalsContact CE1-NH2 3.31Å; H248-R321 PolarHBondContact ND1-NH2 2.87Å; H248-Y328 PolarHBondContact CE1-OH 2.78Å; H248-Y328 AromaticContact ND1-CZ 3.82Å; H248-Y328 PolarHBondContact ND1-OH 3.1Å
249	H	96.4	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-78.6	-32	-177	-158.4	26.4	0	0	0	113.2	A242 N245 M246 C251 D252 F253 D284 F286 W290	A242-H249 WeakPolarHBondContact O-CB 3.45Å; N245-H249 PolarHBondContact O-N 3.04Å; M246-H249 PolarHBondContact O-N 3.39Å; H249-C251 PolarHBondContact O-N 3.12Å; H249-D252 IonicContact CE1-OD2 2.72Å; H249-D252 IonicContact CG-OD2 3.72Å; H249-D252 IonicContact ND1-OD2 3.05Å; H249-D252 PolarHBondContact ND1-OD2 2.8Å; H249-D252 WeakPolarHBondContact O-CB 3.49Å; H249-D252 PolarHBondContact O-N 2.97Å; H249-F253 AromaticContact CD2-CE2 3.43Å; H249-F253 VanDerWaalsContact CD2-CE2 3.43Å; H249-F253 WeakPolarHBondContact CD2-CE2 3.45Å; H249-F253 AromaticContact CD2-CZ 3.84Å; H249-F253 AromaticContact CG-CE2 3.98Å; H249-F253 AromaticContact NE2-CE2 3.51Å; H249-F253 AromaticContact NE2-CZ 3.42Å; H249-F253 WeakPolarHBondContact NE2-CZ 3.46Å; H249-D284 IonicContact CD2-OD1 3.77Å; H249-D284 PolarHBondContact CD2-OD1 2.66Å; H249-D284 IonicContact NE2-OD1 3.31Å; H249-D284 PolarHBondContact NE2-OD1 2.79Å; H249-D284 IonicContact NE2-OD2 3.44Å; H249-F286 HydrophobicContact CB-CD2 4.15Å; H249-F286 AromaticContact CD2-CD2 3.9Å; H249-W290 AromaticContact CE1-CZ2 3.94Å
250	F	97.4	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.3	-15.5	-176.7	-90.7	-91.6	0	0	0	114.3	M246 D252 F253 I254 F286 T289 F327 F345 F409 T431 L434 F435	M246-F250 HydrophobicContact CB-CD2 4.39Å; M246-F250 HydrophobicContact CE-CD2 3.97Å; M246-F250 HydrophobicContact CE-CE2 3.7Å; M246-F250 HydrophobicContact CE-CZ 4.09Å; M246-F250 HydrophobicContact CG-CD2 3.32Å; M246-F250 HydrophobicContact CG-CE2 3.56Å; M246-F250 HydrophobicContact CG-CG 4.33Å; M246-F250 WeakPolarHBondContact O-CB 3.22Å; M246-F250 WeakPolarHBondContact O-CD2 3.36Å; M246-F250 PolarHBondContact O-N 3.2Å; M246-F250 HydrophobicContact SD-CE2 4.44Å; F250-D252 VanDerWaalsContact C-N 3.26Å; F250-F253 HydrophobicContact CD1-CD2 4.11Å; F250-F253 HydrophobicContact CD2-CD2 4.39Å; F250-F253 AromaticContact CE1-CD2 4Å; F250-F253 HydrophobicContact CE1-CD2 4Å; F250-F253 HydrophobicContact CE2-CD2 4.36Å; F250-F253 HydrophobicContact CE2-CE2 4.49Å; F250-F253 HydrophobicContact CG-CD2 4.28Å; F250-F253 HydrophobicContact CZ-CD2 4.15Å; F250-F253 HydrophobicContact CZ-CE2 4.44Å; F250-I254 WeakPolarHBondContact O-CB 2.7Å; F250-I254 WeakPolarHBondContact O-CG1 3.5Å; F250-I254 PolarHBondContact O-N 3.11Å; F250-I254 VanDerWaalsContact O-N 3.1Å; F250-F286 HydrophobicContact CE2-CB 4.25Å; F250-F286 HydrophobicContact CE2-CD1 4.24Å; F250-F286 HydrophobicContact CE2-CG 4.17Å; F250-T289 HydrophobicContact CE1-CG2 4.17Å; F250-T289 HydrophobicContact CZ-CG2 4.18Å; F250-F327 HydrophobicContact CB-CE2 4.31Å; F250-F327 HydrophobicContact CB-CZ 4.45Å; F250-F345 HydrophobicContact CD1-CE1 4.19Å; F250-F345 AromaticContact CD1-CZ 3.98Å; F250-F345 HydrophobicContact CD1-CZ 3.98Å; F250-F345 HydrophobicContact CE1-CZ 4.25Å; F250-F409 HydrophobicContact CE2-CE1 4.47Å; F250-F409 HydrophobicContact CE2-CE2 4.47Å; F250-F409 AromaticContact CE2-CZ 3.81Å; F250-F409 HydrophobicContact CE2-CZ 3.81Å; F250-F409 AromaticContact CZ-CE1 3.94Å; F250-F409 HydrophobicContact CZ-CE1 3.94Å; F250-F409 AromaticContact CZ-CZ 3.48Å; F250-F409 HydrophobicContact CZ-CZ 3.48Å; F250-F409 VanDerWaalsContact CZ-CZ 3.48Å; F250-T431 HydrophobicContact CB-CG2 4Å; F250-T431 HydrophobicContact CG-CG2 4.27Å; F250-L434 HydrophobicContact CB-CD1 4.26Å; F250-L434 HydrophobicContact CD1-CD1 4.2Å; F250-L434 HydrophobicContact CG-CD1 4.44Å; F250-F435 HydrophobicContact CD1-CE2 4.13Å; F250-F435 AromaticContact CD1-CZ 3.99Å; F250-F435 HydrophobicContact CD1-CZ 3.99Å; F250-F435 AromaticContact CE1-CE2 3.6Å; F250-F435 HydrophobicContact CE1-CE2 3.6Å; F250-F435 AromaticContact CE1-CZ 3.39Å; F250-F435 HydrophobicContact CE1-CZ 3.39Å; F250-F435 AromaticContact CZ-CE2 3.98Å; F250-F435 HydrophobicContact CZ-CE2 3.98Å; F250-F435 HydrophobicContact CZ-CZ 4.12Å
251	C	95.7	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-31.6	166.5	74.4	0	0	0	0	111.4	H248 H249 N255 P320 F327 Y328	H248-C251 PolarHBondContact O-SG 3.09Å; H249-C251 PolarHBondContact O-N 3.12Å; C251-N255 WeakPolarHBondContact O-CB 3.33Å; C251-N255 PolarHBondContact O-N 2.01Å; C251-N255 PolarHBondContact O-ND2 2.78Å; C251-P320 HydrophobicContact CB-CB 4.31Å; C251-P320 WeakPolarHBondContact SG-CB 3.23Å; C251-F327 HydrophobicContact CB-CB 3.8Å; C251-F327 HydrophobicContact CB-CD1 3.41Å; C251-F327 VanDerWaalsContact CB-CD1 3.41Å; C251-F327 HydrophobicContact CB-CD2 4.26Å; C251-F327 HydrophobicContact CB-CE1 3.96Å; C251-F327 HydrophobicContact CB-CG 3.57Å; C251-Y328 HydrophobicContact CB-CD2 3.78Å; C251-Y328 HydrophobicContact CB-CE2 3.87Å
252	D	97.1	Very high	96.9	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-65	-49.3	176.7	-54.9	-44.3	0	0	0	110.3	M238 L240 D241 H249 F250 I254 N255 L256 P320	M238-D252 HydrophobicContact CE-CB 4.37Å; L240-D252 WeakPolarHBondContact CA-OD1 3.43Å; L240-D252 HydrophobicContact CD2-CB 3.98Å; D241-D252 PolarHBondContact N-OD1 3.03Å; D241-D252 PolarHBondContact N-OD2 3.12Å; D241-D252 VanDerWaalsContact N-OD2 3.14Å; H249-D252 IonicContact CE1-OD2 2.72Å; H249-D252 IonicContact CG-OD2 3.72Å; H249-D252 IonicContact ND1-OD2 3.05Å; H249-D252 PolarHBondContact ND1-OD2 2.8Å; H249-D252 WeakPolarHBondContact O-CB 3.49Å; H249-D252 PolarHBondContact O-N 2.97Å; F250-D252 VanDerWaalsContact C-N 3.26Å; D252-I254 PolarHBondContact O-N 3.19Å; D252-N255 PolarHBondContact O-N 3.22Å; D252-L256 WeakPolarHBondContact O-CB 3.33Å; D252-L256 PolarHBondContact O-N 3.46Å; D252-P320 VanDerWaalsContact OD1-CB 3.27Å; D252-P320 WeakPolarHBondContact OD1-CB 3.32Å; D252-P320 VanDerWaalsContact OD1-CG 3.28Å; D252-P320 WeakPolarHBondContact OD1-CG 3.24Å
253	F	98.5	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-37.9	179.6	-65.6	-59.1	0	0	0	113.3	H249 F250 L256 Y257 T289 W290 F293 F345	H249-F253 AromaticContact CD2-CE2 3.43Å; H249-F253 VanDerWaalsContact CD2-CE2 3.43Å; H249-F253 WeakPolarHBondContact CD2-CE2 3.45Å; H249-F253 AromaticContact CD2-CZ 3.84Å; H249-F253 AromaticContact CG-CE2 3.98Å; H249-F253 AromaticContact NE2-CE2 3.51Å; H249-F253 AromaticContact NE2-CZ 3.42Å; H249-F253 WeakPolarHBondContact NE2-CZ 3.46Å; F250-F253 HydrophobicContact CD1-CD2 4.11Å; F250-F253 HydrophobicContact CD2-CD2 4.39Å; F250-F253 AromaticContact CE1-CD2 4Å; F250-F253 HydrophobicContact CE1-CD2 4Å; F250-F253 HydrophobicContact CE2-CD2 4.36Å; F250-F253 HydrophobicContact CE2-CE2 4.49Å; F250-F253 HydrophobicContact CG-CD2 4.28Å; F250-F253 HydrophobicContact CZ-CD2 4.15Å; F250-F253 HydrophobicContact CZ-CE2 4.44Å; F253-L256 PolarHBondContact O-N 2.9Å; F253-Y257 WeakPolarHBondContact O-CB 3.2Å; F253-Y257 PolarHBondContact O-N 3.02Å; F253-T289 HydrophobicContact CD1-CG2 3.8Å; F253-T289 HydrophobicContact CD2-CG2 3.74Å; F253-T289 HydrophobicContact CE1-CG2 3.85Å; F253-T289 HydrophobicContact CE2-CG2 3.79Å; F253-T289 HydrophobicContact CG-CG2 3.76Å; F253-T289 HydrophobicContact CZ-CG2 3.87Å; F253-W290 HydrophobicContact CD1-CE3 4.4Å; F253-W290 HydrophobicContact CD1-CH2 4.44Å; F253-W290 HydrophobicContact CD1-CZ3 4.27Å; F253-W290 AromaticContact CE1-CD2 3.6Å; F253-W290 HydrophobicContact CE1-CD2 3.6Å; F253-W290 AromaticContact CE1-CE2 3.65Å; F253-W290 AromaticContact CE1-CE3 3.65Å; F253-W290 HydrophobicContact CE1-CE3 3.65Å; F253-W290 HydrophobicContact CE1-CG 4.27Å; F253-W290 AromaticContact CE1-CH2 3.81Å; F253-W290 HydrophobicContact CE1-CH2 3.81Å; F253-W290 AromaticContact CE1-CZ2 3.76Å; F253-W290 HydrophobicContact CE1-CZ2 3.76Å; F253-W290 AromaticContact CE1-CZ3 3.76Å; F253-W290 HydrophobicContact CE1-CZ3 3.76Å; F253-W290 HydrophobicContact CZ-CD2 4.14Å; F253-W290 AromaticContact CZ-CE2 3.81Å; F253-W290 HydrophobicContact CZ-CH2 4.42Å; F253-W290 AromaticContact CZ-CZ2 3.97Å; F253-W290 HydrophobicContact CZ-CZ2 3.97Å; F253-F293 HydrophobicContact CB-CE2 4.21Å; F253-F293 HydrophobicContact CB-CZ 4.44Å; F253-F293 HydrophobicContact CD1-CD2 4.08Å; F253-F293 AromaticContact CD1-CE2 3.71Å; F253-F293 HydrophobicContact CD1-CE2 3.71Å; F253-F293 HydrophobicContact CG-CE2 4.31Å; F253-F345 HydrophobicContact CB-CE2 3.95Å; F253-F345 HydrophobicContact CB-CZ 3.91Å
254	I	97.9	Very high	97.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-42.2	176.8	-75.8	166.2	0	0	0	110.9	F250 D252 L256 Y257 L258 F327 F342 F345 L434	F250-I254 WeakPolarHBondContact O-CB 2.7Å; F250-I254 WeakPolarHBondContact O-CG1 3.5Å; F250-I254 PolarHBondContact O-N 3.11Å; F250-I254 VanDerWaalsContact O-N 3.1Å; D252-I254 PolarHBondContact O-N 3.19Å; I254-L256 VanDerWaalsContact C-N 3.33Å; I254-Y257 PolarHBondContact O-N 2.67Å; I254-L258 PolarHBondContact O-N 3.07Å; I254-F327 HydrophobicContact CD1-CD2 3.43Å; I254-F327 VanDerWaalsContact CD1-CD2 3.43Å; I254-F327 HydrophobicContact CD1-CE2 3.74Å; I254-F342 HydrophobicContact CD1-CD1 3.97Å; I254-F342 HydrophobicContact CD1-CE1 3.65Å; I254-F342 HydrophobicContact CD1-CZ 4.43Å; I254-F342 HydrophobicContact CG2-CE1 4.4Å; I254-F342 HydrophobicContact CG2-CZ 4.15Å; I254-F345 HydrophobicContact CD1-CD1 3.98Å; I254-F345 HydrophobicContact CD1-CE1 3.84Å; I254-F345 HydrophobicContact CD1-CZ 4.34Å; I254-F345 HydrophobicContact CG1-CD1 3.54Å; I254-F345 HydrophobicContact CG1-CD2 3.85Å; I254-F345 HydrophobicContact CG1-CE1 3.44Å; I254-F345 VanDerWaalsContact CG1-CE1 3.44Å; I254-F345 HydrophobicContact CG1-CE2 3.73Å; I254-F345 HydrophobicContact CG1-CG 3.74Å; I254-F345 HydrophobicContact CG1-CZ 3.53Å; I254-L434 HydrophobicContact CD1-CD1 4.04Å; I254-L434 HydrophobicContact CD1-CD2 4.46Å
255	N	98	Very high	97.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-69.7	-31.3	176.3	-77.9	-78.1	0	0	0	111.9	C251 D252 L258 T259 L318 M322 L326	C251-N255 WeakPolarHBondContact O-CB 3.33Å; C251-N255 PolarHBondContact O-N 2.01Å; C251-N255 PolarHBondContact O-ND2 2.78Å; D252-N255 PolarHBondContact O-N 3.22Å; N255-L258 PolarHBondContact O-N 3.1Å; N255-T259 WeakPolarHBondContact O-CB 3.39Å; N255-T259 PolarHBondContact O-N 3.16Å; N255-T259 PolarHBondContact O-OG1 3.01Å; N255-L318 HydrophobicContact CB-CB 4.22Å; N255-M322 WeakPolarHBondContact OD1-CE 3.24Å; N255-L326 PolarHBondContact ND2-O 3.26Å
256	L	98.6	Very high	97.3	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-65.8	-44.8	170.1	-179.4	59.4	0	0	0	112.3	Y236 M238 D252 F253 I254 L258 T259 Q260 I272 W290 F293	Y236-L256 HydrophobicContact CD1-CD1 3.95Å; Y236-L256 HydrophobicContact CE1-CD1 4.49Å; M238-L256 HydrophobicContact CE-CB 3.75Å; M238-L256 HydrophobicContact CE-CD1 4.33Å; M238-L256 HydrophobicContact CE-CD2 4.13Å; M238-L256 HydrophobicContact CE-CG 4.29Å; M238-L256 HydrophobicContact SD-CB 4.27Å; M238-L256 HydrophobicContact SD-CD1 3.81Å; M238-L256 HydrophobicContact SD-CD2 3.71Å; M238-L256 HydrophobicContact SD-CG 4.14Å; D252-L256 WeakPolarHBondContact O-CB 3.33Å; D252-L256 PolarHBondContact O-N 3.46Å; F253-L256 PolarHBondContact O-N 2.9Å; I254-L256 VanDerWaalsContact C-N 3.33Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.6Å; L256-T259 CarbonylContact O-C 3.59Å; L256-T259 WeakPolarHBondContact O-CA 3.37Å; L256-T259 VanDerWaalsContact O-CB 3.23Å; L256-T259 WeakPolarHBondContact O-CB 3.46Å; L256-T259 PolarHBondContact O-N 3.28Å; L256-Q260 PolarHBondContact O-N 2.9Å; L256-I272 HydrophobicContact CD2-CD1 3.95Å; L256-W290 HydrophobicContact CD2-CE3 4.43Å; L256-W290 HydrophobicContact CD2-CZ3 3.88Å; L256-F293 HydrophobicContact CD2-CB 3.72Å; L256-F293 HydrophobicContact CD2-CD1 3.7Å; L256-F293 HydrophobicContact CD2-CD2 3.89Å; L256-F293 HydrophobicContact CD2-CE1 4.3Å; L256-F293 HydrophobicContact CD2-CE2 4.46Å; L256-F293 HydrophobicContact CD2-CG 3.48Å; L256-F293 VanDerWaalsContact CD2-CG 3.48Å; L256-F293 HydrophobicContact CG-CD1 3.86Å; L256-F293 HydrophobicContact CG-CE1 4.24Å; L256-F293 HydrophobicContact CG-CG 4.18Å
257	Y	98.7	Very high	97.3	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-42.7	175	177.9	-111.8	0	0	0	111.5	F253 I254 T259 Q260 H261 F266 F293 L341 A344 F345 H348	F253-Y257 WeakPolarHBondContact O-CB 3.2Å; F253-Y257 PolarHBondContact O-N 3.02Å; I254-Y257 PolarHBondContact O-N 2.67Å; Y257-T259 VanDerWaalsContact C-N 3.28Å; Y257-T259 PolarHBondContact O-N 3.1Å; Y257-Q260 WeakPolarHBondContact O-CB 3.2Å; Y257-Q260 PolarHBondContact O-N 2.88Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å; Y257-H261 AromaticContact CE1-CD2 3.93Å; Y257-H261 AromaticContact CE1-NE2 3.56Å; Y257-H261 AromaticContact CE2-NE2 3.78Å; Y257-H261 AromaticContact CZ-CD2 3.89Å; Y257-H261 AromaticContact CZ-NE2 3.21Å; Y257-H261 PolarHBondContact O-CD2 3.36Å; Y257-H261 PolarHBondContact O-N 3.32Å; Y257-H261 PolarHBondContact OH-NE2 2.65Å; Y257-H261 VanDerWaalsContact OH-NE2 3.08Å; Y257-F266 HydrophobicContact CE2-CE1 4.03Å; Y257-F293 HydrophobicContact CD2-CE1 4.42Å; Y257-L341 HydrophobicContact CD1-CD1 4.1Å; Y257-L341 HydrophobicContact CE1-CD1 3.98Å; Y257-A344 HydrophobicContact CE1-CB 4.18Å; Y257-A344 WeakPolarHBondContact OH-CB 3.37Å; Y257-F345 HydrophobicContact CD1-CB 3.68Å; Y257-F345 HydrophobicContact CD1-CD2 4.01Å; Y257-F345 HydrophobicContact CD1-CG 4.35Å; Y257-F345 HydrophobicContact CE1-CB 3.94Å; Y257-F345 HydrophobicContact CG-CB 4.32Å; Y257-F345 AromaticContact CG-CD2 3.84Å; Y257-F345 HydrophobicContact CG-CD2 3.84Å; Y257-H348 HydrophobicContact CD2-CB 4.2Å; Y257-H348 AromaticContact CD2-CD2 3.84Å; Y257-H348 AromaticContact CD2-CG 3.86Å; Y257-H348 HydrophobicContact CE2-CB 3.67Å; Y257-H348 AromaticContact CE2-CD2 3.98Å; Y257-H348 AromaticContact CE2-CG 3.51Å; Y257-H348 AromaticContact CE2-ND1 3.74Å
258	L	98.2	Very high	97.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-38.2	172.3	-180	63.8	0	0	0	112.1	Y123 A124 I254 N255 L256 Q260 H261 V262 L318 L326 L341	Y123-L258 HydrophobicContact CD1-CD2 3.45Å; Y123-L258 VanDerWaalsContact CD1-CD2 3.45Å; Y123-L258 HydrophobicContact CE1-CD2 3.72Å; A124-L258 HydrophobicContact CB-CD1 3.52Å; I254-L258 PolarHBondContact O-N 3.07Å; N255-L258 PolarHBondContact O-N 3.1Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.6Å; L258-Q260 VanDerWaalsContact C-N 3.25Å; L258-Q260 PolarHBondContact O-N 2.79Å; L258-H261 WeakPolarHBondContact O-CB 3.35Å; L258-H261 PolarHBondContact O-N 3.29Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 PolarHBondContact O-N 3.33Å; L258-L318 HydrophobicContact CB-CD1 4.03Å; L258-L318 HydrophobicContact CD2-CD1 3.31Å; L258-L318 HydrophobicContact CG-CD1 3.42Å; L258-L318 VanDerWaalsContact CG-CD1 3.42Å; L258-L326 HydrophobicContact CD2-CD1 3.36Å; L258-L341 HydrophobicContact CD1-CD1 4.28Å; L258-L341 HydrophobicContact CD1-CD2 4.36Å
259	T	98.6	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-36.1	174.9	-58.2	0	0	0	0	111.2	Y153 Y236 N255 L256 Y257 H261 V262 N263 V315 L318	Y153-T259 HydrophobicContact CD2-CG2 4.02Å; Y153-T259 HydrophobicContact CE2-CG2 3.7Å; Y236-T259 HydrophobicContact CD1-CG2 4.03Å; Y236-T259 HydrophobicContact CE1-CG2 3.84Å; N255-T259 WeakPolarHBondContact O-CB 3.39Å; N255-T259 PolarHBondContact O-N 3.16Å; N255-T259 PolarHBondContact O-OG1 3.01Å; L256-T259 CarbonylContact O-C 3.59Å; L256-T259 WeakPolarHBondContact O-CA 3.37Å; L256-T259 VanDerWaalsContact O-CB 3.23Å; L256-T259 WeakPolarHBondContact O-CB 3.46Å; L256-T259 PolarHBondContact O-N 3.28Å; Y257-T259 VanDerWaalsContact C-N 3.28Å; Y257-T259 PolarHBondContact O-N 3.1Å; T259-H261 VanDerWaalsContact C-N 3.31Å; T259-H261 PolarHBondContact O-N 2.83Å; T259-V262 PolarHBondContact O-N 2.87Å; T259-N263 VanDerWaalsContact O-CB 3.25Å; T259-N263 WeakPolarHBondContact O-CB 3.45Å; T259-N263 PolarHBondContact O-N 3.11Å; T259-V315 HydrophobicContact CG2-CG1 3.75Å; T259-L318 PolarHBondContact OG1-N 3.23Å
260	Q	98.5	Very high	97.6	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.023	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-37	173	-69.5	-179.8	-46.1	0	0	112.5	L256 Y257 L258 N264 S265 F266	L256-Q260 PolarHBondContact O-N 2.9Å; Y257-Q260 WeakPolarHBondContact O-CB 3.2Å; Y257-Q260 PolarHBondContact O-N 2.88Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å; L258-Q260 VanDerWaalsContact C-N 3.25Å; L258-Q260 PolarHBondContact O-N 2.79Å; Q260-N264 VanDerWaalsContact O-CA 3.31Å; Q260-N264 WeakPolarHBondContact O-CA 3.47Å; Q260-N264 PolarHBondContact O-N 2.84Å; Q260-S265 WeakPolarHBondContact CA-O 3.12Å; Q260-S265 WeakPolarHBondContact CB-O 3.05Å; Q260-S265 WeakPolarHBondContact CG-O 3.2Å; Q260-S265 PolarHBondContact O-N 3.09Å; Q260-F266 HydrophobicContact CB-CD1 3.93Å; Q260-F266 HydrophobicContact CB-CE1 3.91Å
261	H	98.3	Very high	97.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-45.9	174.2	-76.9	-86.5	0	0	0	112.2	W80 Y82 F121 Y257 L258 T259 N263 N264 F266	W80-H261 AromaticContact CD2-CE1 3.65Å; W80-H261 AromaticContact CE2-CE1 3.62Å; W80-H261 AromaticContact CE3-CE1 3.88Å; W80-H261 AromaticContact CZ2-CE1 3.82Å; Y82-H261 HydrophobicContact CE1-CB 4.07Å; Y82-H261 AromaticContact CE1-ND1 3.47Å; Y82-H261 WeakPolarHBondContact CE1-ND1 3.35Å; Y82-H261 AromaticContact CZ-ND1 3.8Å; Y82-H261 PolarHBondContact OH-ND1 3.41Å; F121-H261 AromaticContact CE1-CD2 3.93Å; F121-H261 AromaticContact CE1-CE1 3.44Å; F121-H261 VanDerWaalsContact CE1-CE1 3.44Å; F121-H261 WeakPolarHBondContact CE1-CE1 3.48Å; F121-H261 AromaticContact CE1-ND1 3.72Å; F121-H261 AromaticContact CE1-NE2 3.59Å; F121-H261 AromaticContact CZ-CE1 4Å; Y257-H261 AromaticContact CE1-CD2 3.93Å; Y257-H261 AromaticContact CE1-NE2 3.56Å; Y257-H261 AromaticContact CE2-NE2 3.78Å; Y257-H261 AromaticContact CZ-CD2 3.89Å; Y257-H261 AromaticContact CZ-NE2 3.21Å; Y257-H261 PolarHBondContact O-CD2 3.36Å; Y257-H261 PolarHBondContact O-N 3.32Å; Y257-H261 PolarHBondContact OH-NE2 2.65Å; Y257-H261 VanDerWaalsContact OH-NE2 3.08Å; L258-H261 WeakPolarHBondContact O-CB 3.35Å; L258-H261 PolarHBondContact O-N 3.29Å; T259-H261 VanDerWaalsContact C-N 3.31Å; T259-H261 PolarHBondContact O-N 2.83Å; H261-N263 VanDerWaalsContact C-N 3.31Å; H261-N263 PolarHBondContact O-N 2.94Å; H261-N264 PolarHBondContact O-N 3.02Å; H261-N264 VanDerWaalsContact O-N 3.14Å; H261-F266 AromaticContact CD2-CZ 3.98Å; H261-F266 AromaticContact CE1-CZ 3.53Å; H261-F266 AromaticContact ND1-CZ 3.74Å; H261-F266 AromaticContact NE2-CE1 3.71Å; H261-F266 AromaticContact NE2-CZ 3.66Å
262	V	97.9	Very high	97.8	Very high	10 Å²	10	16.6 Å²	16.6	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-36.3	178.2	178.9	0	0	0	0	111.3	A124 R127 L128 Y153 L258 T259 N264 L318	A124-V262 HydrophobicContact CB-CG2 4.45Å; R127-V262 HydrophobicContact CB-CG2 4.16Å; L128-V262 HydrophobicContact CD2-CG1 3.94Å; L128-V262 WeakPolarHBondContact CD2-O 3.35Å; L128-V262 HydrophobicContact CG-CG1 4.35Å; Y153-V262 HydrophobicContact CD1-CG1 3.7Å; Y153-V262 HydrophobicContact CD2-CG1 4.32Å; Y153-V262 HydrophobicContact CE1-CG1 3.51Å; Y153-V262 HydrophobicContact CE2-CB 4.49Å; Y153-V262 HydrophobicContact CE2-CG1 4.14Å; Y153-V262 HydrophobicContact CG-CG1 4.1Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 PolarHBondContact O-N 3.33Å; T259-V262 PolarHBondContact O-N 2.87Å; V262-N264 VanDerWaalsContact C-N 3.32Å; V262-L318 HydrophobicContact CG2-CD1 4.18Å
263	N	97.8	Very high	97.9	Very high	26 Å²	26	16.6 Å²	16.6	14%	0.139	9%	0.091	C	C	.	.	H	α-helix	trans	-81.9	-9.9	175.7	-163.9	46.1	0	0	0	113.5	Y153 Y236 T259 H261 S265	Y153-N263 WeakPolarHBondContact OH-CA 3.29Å; Y153-N263 WeakPolarHBondContact OH-CB 3.45Å; Y153-N263 PolarHBondContact OH-OD1 3.03Å; Y236-N263 PolarHBondContact OH-ND2 2.82Å; T259-N263 VanDerWaalsContact O-CB 3.25Å; T259-N263 WeakPolarHBondContact O-CB 3.45Å; T259-N263 PolarHBondContact O-N 3.11Å; H261-N263 VanDerWaalsContact C-N 3.31Å; H261-N263 PolarHBondContact O-N 2.94Å; N263-S265 VanDerWaalsContact C-N 3.32Å; N263-S265 PolarHBondContact O-N 3.3Å
264	N	96.6	Very high	97.9	Very high	58 Å²	58	16.8 Å²	16.8	31%	0.31	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	47.7	-170.7	-172.7	40.7	0	0	0	113.7	N53 N54 Q260 H261 V262	N53-N264 VanDerWaalsContact ND2-CG 3.32Å; N53-N264 PolarHBondContact ND2-OD1 3.08Å; N54-N264 PolarHBondContact ND2-OD1 2.93Å; N54-N264 PolarHBondContact OD1-ND2 2.85Å; Q260-N264 VanDerWaalsContact O-CA 3.31Å; Q260-N264 WeakPolarHBondContact O-CA 3.47Å; Q260-N264 PolarHBondContact O-N 2.84Å; H261-N264 PolarHBondContact O-N 3.02Å; H261-N264 VanDerWaalsContact O-N 3.14Å; V262-N264 VanDerWaalsContact C-N 3.32Å
265	S	96.1	Very high	97.9	Very high	35 Å²	35	16.8 Å²	16.8	25%	0.245	9%	0.092	C	C	.	.			trans	-145.1	126.2	175.4	-178.7	0	0	0	0	111.4	Q260 N263	Q260-S265 WeakPolarHBondContact CA-O 3.12Å; Q260-S265 WeakPolarHBondContact CB-O 3.05Å; Q260-S265 WeakPolarHBondContact CG-O 3.2Å; Q260-S265 PolarHBondContact O-N 3.09Å; N263-S265 VanDerWaalsContact C-N 3.32Å; N263-S265 PolarHBondContact O-N 3.3Å
266	F	96.9	Very high	97.8	Very high	11 Å²	11	17.2 Å²	17.2	5%	0.048	9%	0.094	C	C	.	.			trans	-112.4	14.6	176.2	-61	-85	0	0	0	112.3	L42 F50 Y257 Q260 H261 R352	L42-F266 HydrophobicContact CD1-CD2 4.37Å; L42-F266 HydrophobicContact CD1-CG 4.46Å; L42-F266 HydrophobicContact CD2-CB 4.01Å; L42-F266 HydrophobicContact CD2-CD1 4.05Å; L42-F266 HydrophobicContact CD2-CG 4.01Å; F50-F266 AromaticContact CD2-CD2 3.94Å; F50-F266 HydrophobicContact CD2-CD2 3.94Å; F50-F266 HydrophobicContact CD2-CE2 4.16Å; F50-F266 HydrophobicContact CE2-CD2 4.06Å; Y257-F266 HydrophobicContact CE2-CE1 4.03Å; Q260-F266 HydrophobicContact CB-CD1 3.93Å; Q260-F266 HydrophobicContact CB-CE1 3.91Å; H261-F266 AromaticContact CD2-CZ 3.98Å; H261-F266 AromaticContact CE1-CZ 3.53Å; H261-F266 AromaticContact ND1-CZ 3.74Å; H261-F266 AromaticContact NE2-CE1 3.71Å; H261-F266 AromaticContact NE2-CZ 3.66Å; F266-R352 PolarHBondContact O-NH2 3.2Å
267	S	96.1	Very high	97.6	Very high	41 Å²	41	17 Å²	17	29%	0.287	9%	0.093	S	C	.	.			trans	-62.8	137.1	177.3	-172.8	0	0	0	0	110.4	D269	S267-D269 VanDerWaalsContact C-N 3.32Å; S267-D269 WeakPolarHBondContact OG-CB 3.49Å; S267-D269 PolarHBondContact OG-N 2.89Å
268	T	97.1	Very high	97.5	Very high	17 Å²	17	17 Å²	17	10%	0.104	9%	0.093	C	C	.	.	S	Bend	trans	-84	-10.2	163.9	40	0	0	0	0	112.4	V270 T294 D295	T268-V270 PolarHBondContact O-N 2.77Å; T268-T294 CarbonylContact O-C 3.5Å; T268-T294 VanDerWaalsContact O-CA 3.29Å; T268-T294 WeakPolarHBondContact O-CA 3.49Å; T268-D295 WeakPolarHBondContact CB-OD1 3.3Å; T268-D295 WeakPolarHBondContact CB-OD2 3.21Å; T268-D295 PolarHBondContact O-N 3.09Å; T268-D295 VanDerWaalsContact OG1-CG 3.25Å; T268-D295 PolarHBondContact OG1-OD1 2.98Å; T268-D295 PolarHBondContact OG1-OD2 3Å
269	D	97.3	Very high	97.2	Very high	66 Å²	66	20 Å²	20	35%	0.353	11%	0.114	S	C	.	.			trans	-78.4	58.3	177	-168.6	37.6	0	0	0	111.8	K233 S267 Y296	K233-D269 WeakPolarHBondContact CE-OD1 3.45Å; K233-D269 WeakPolarHBondContact CG-O 3.3Å; K233-D269 IonicContact NZ-OD1 3.03Å; K233-D269 PolarHBondContact NZ-OD1 3.25Å; K233-D269 IonicContact NZ-OD2 3.4Å; K233-D269 PolarHBondContact NZ-OD2 2.86Å; S267-D269 VanDerWaalsContact C-N 3.32Å; S267-D269 WeakPolarHBondContact OG-CB 3.49Å; S267-D269 PolarHBondContact OG-N 2.89Å; D269-Y296 WeakPolarHBondContact OD1-CE2 3.31Å; D269-Y296 PolarHBondContact OD1-OH 3.4Å
270	V	98.4	Very high	96.9	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	14%	0.135	C	C	.	.	S	Bend	trans	-138.1	149.4	-175.1	-59.2	0	0	0	0	110.2	P234 Y236 T268 T294 Y296	P234-V270 HydrophobicContact CB-CG1 4.23Å; P234-V270 WeakPolarHBondContact O-CA 3.35Å; Y236-V270 HydrophobicContact CD2-CB 4.21Å; Y236-V270 HydrophobicContact CD2-CG2 4.39Å; Y236-V270 HydrophobicContact CE2-CB 4.2Å; Y236-V270 HydrophobicContact CE2-CG1 4.05Å; Y236-V270 HydrophobicContact CE2-CG2 4.46Å; T268-V270 PolarHBondContact O-N 2.77Å; V270-T294 PolarHBondContact O-OG1 2.03Å; V270-Y296 WeakPolarHBondContact O-CD2 3.05Å
271	Y	98.8	Very high	96.5	Very high	62 Å²	62	27.5 Å²	27.5	24%	0.243	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138	168.4	-70.3	-31.1	0	0	0	110.8	I231 K233 P234 T235 Y236 Y296 I299	I231-Y271 HydrophobicContact CG2-CD2 3.66Å; I231-Y271 HydrophobicContact CG2-CE2 3.96Å; K233-Y271 HydrophobicContact CB-CD2 4.01Å; K233-Y271 HydrophobicContact CB-CE2 3.98Å; K233-Y271 HydrophobicContact CD-CD1 3.95Å; K233-Y271 HydrophobicContact CD-CD2 4.33Å; K233-Y271 HydrophobicContact CD-CE1 3.88Å; K233-Y271 HydrophobicContact CD-CE2 4.28Å; K233-Y271 HydrophobicContact CD-CG 4.17Å; P234-Y271 PolarHBondContact O-N 2.78Å; T235-Y271 CarbonylContact C-O 3.6Å; T235-Y271 VanDerWaalsContact CA-O 3.32Å; T235-Y271 WeakPolarHBondContact CA-O 3.43Å; Y236-Y271 PolarHBondContact N-O 2.88Å; Y271-Y296 HydrophobicContact CD1-CD1 4.39Å; Y271-Y296 AromaticContact CD1-CD2 3.93Å; Y271-Y296 HydrophobicContact CD1-CD2 3.93Å; Y271-Y296 AromaticContact CD1-CG 3.86Å; Y271-Y296 HydrophobicContact CD1-CG 3.86Å; Y271-Y296 AromaticContact CE1-CD1 3.73Å; Y271-Y296 HydrophobicContact CE1-CD1 3.73Å; Y271-Y296 AromaticContact CE1-CD2 3.95Å; Y271-Y296 HydrophobicContact CE1-CD2 3.95Å; Y271-Y296 HydrophobicContact CE1-CE1 4.05Å; Y271-Y296 HydrophobicContact CE1-CE2 4.27Å; Y271-Y296 AromaticContact CE1-CG 3.67Å; Y271-Y296 HydrophobicContact CE1-CG 3.67Å; Y271-I299 HydrophobicContact CD1-CD1 3.95Å; Y271-I299 HydrophobicContact CD2-CD1 4.21Å; Y271-I299 HydrophobicContact CG-CD1 3.8Å
272	I	98.8	Very high	96.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	168.5	-59.3	179.2	0	0	0	107.4	Y236 M238 L256 W290 F293 T294 I298 I299	Y236-I272 CarbonylContact O-C 3.5Å; Y236-I272 WeakPolarHBondContact O-CA 3.19Å; M238-I272 HydrophobicContact CG-CG2 4.06Å; M238-I272 HydrophobicContact SD-CG2 3.73Å; L256-I272 HydrophobicContact CD2-CD1 3.95Å; I272-W290 HydrophobicContact CD1-CE3 3.86Å; I272-W290 HydrophobicContact CD1-CZ3 4.01Å; I272-W290 HydrophobicContact CG2-CZ3 4.1Å; I272-F293 HydrophobicContact CD1-CB 4.02Å; I272-T294 HydrophobicContact CD1-CG2 3.69Å; I272-T294 HydrophobicContact CG1-CG2 4.14Å; I272-I298 HydrophobicContact CB-CD1 3.7Å; I272-I298 HydrophobicContact CD1-CD1 4.19Å; I272-I298 HydrophobicContact CG1-CD1 4.46Å; I272-I298 HydrophobicContact CG2-CD1 3.88Å; I272-I299 PolarHBondContact O-N 2.93Å
273	V	98.8	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.3	177.3	177.2	0	0	0	0	108.8	T235 Y236 F237 M238 W275 I299 L301 Y304	T235-V273 HydrophobicContact CG2-CB 4.2Å; T235-V273 HydrophobicContact CG2-CG2 3.52Å; Y236-V273 PolarHBondContact O-N 3.37Å; F237-V273 WeakPolarHBondContact CA-O 3.28Å; F237-V273 HydrophobicContact CD1-CB 3.63Å; F237-V273 HydrophobicContact CD1-CG1 3.79Å; F237-V273 HydrophobicContact CD1-CG2 4.46Å; F237-V273 HydrophobicContact CE1-CB 3.78Å; F237-V273 HydrophobicContact CE1-CG1 3.81Å; F237-V273 HydrophobicContact CE1-CG2 4.18Å; M238-V273 PolarHBondContact N-O 3Å; V273-W275 PolarHBondContact O-N 2.84Å; V273-I299 CarbonylContact C-O 3.4Å; V273-I299 WeakPolarHBondContact CA-O 3.36Å; V273-I299 HydrophobicContact CG2-CB 4.02Å; V273-I299 HydrophobicContact CG2-CG2 4.12Å; V273-L301 HydrophobicContact CG1-CB 4.31Å; V273-L301 HydrophobicContact CG1-CD1 4.37Å; V273-Y304 HydrophobicContact CG1-CE2 4.33Å; V273-Y304 HydrophobicContact CG2-CE2 4Å
274	M	98.3	Very high	96	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	113.8	172.5	-174.6	-174.8	64.6	0	0	109.6	L240 D276 Y282 I298 I299 H300 L301	L240-M274 HydrophobicContact CD1-CG 3.79Å; L240-M274 HydrophobicContact CD1-SD 3.59Å; L240-M274 VanDerWaalsContact CD1-SD 3.59Å; L240-M274 HydrophobicContact CG-CG 4.09Å; L240-M274 HydrophobicContact CG-SD 4.37Å; M274-D276 HydrophobicContact CE-CB 3.84Å; M274-D276 HydrophobicContact CG-CB 4.44Å; M274-D276 PolarHBondContact O-N 3.38Å; M274-Y282 HydrophobicContact CE-CG 4.24Å; M274-Y282 HydrophobicContact SD-CD1 4.04Å; M274-Y282 HydrophobicContact SD-CD2 3.82Å; M274-Y282 HydrophobicContact SD-CE2 4.35Å; M274-Y282 HydrophobicContact SD-CG 3.63Å; M274-I298 HydrophobicContact CB-CG2 3.98Å; M274-I299 PolarHBondContact N-O 3.39Å; M274-H300 WeakPolarHBondContact CE-CE1 3.28Å; M274-H300 WeakPolarHBondContact CE-ND1 3.47Å; M274-L301 WeakPolarHBondContact O-CB 3.41Å; M274-L301 PolarHBondContact O-N 3.27Å
275	W	97.3	Very high	96	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.183	C	C	.	.			trans	-79	83.2	176.3	-164.4	-78.9	0	0	0	110.3	F173 F178 W207 E210 F237 M238 K239 V273 L301 F316	F173-W275 WeakPolarHBondContact CE1-O 3.23Å; F178-W275 HydrophobicContact CD2-CZ2 4.32Å; F178-W275 AromaticContact CE2-CH2 3.57Å; F178-W275 HydrophobicContact CE2-CH2 3.57Å; F178-W275 AromaticContact CE2-CZ2 3.53Å; F178-W275 HydrophobicContact CE2-CZ2 3.53Å; F178-W275 HydrophobicContact CZ-CH2 4.25Å; F178-W275 HydrophobicContact CZ-CZ2 4.47Å; W207-W275 HydrophobicContact CH2-CB 4Å; W207-W275 HydrophobicContact CH2-CG 4.21Å; W207-W275 HydrophobicContact CZ3-CB 4.05Å; W207-W275 AromaticContact CZ3-CD2 3.81Å; W207-W275 HydrophobicContact CZ3-CD2 3.81Å; W207-W275 HydrophobicContact CZ3-CE3 4.18Å; W207-W275 AromaticContact CZ3-CG 3.74Å; W207-W275 HydrophobicContact CZ3-CG 3.74Å; E210-W275 HydrophobicContact CB-CH2 4.41Å; E210-W275 HydrophobicContact CB-CZ2 3.72Å; E210-W275 VanDerWaalsContact CG-CE2 3.48Å; E210-W275 HydrophobicContact CG-CH2 4.4Å; E210-W275 HydrophobicContact CG-CZ2 3.34Å; E210-W275 VanDerWaalsContact CG-NE1 3.35Å; F237-W275 HydrophobicContact CB-CE3 4.06Å; F237-W275 AromaticContact CD1-CE3 3.71Å; F237-W275 HydrophobicContact CD1-CE3 3.71Å; F237-W275 AromaticContact CD1-CZ3 4Å; F237-W275 HydrophobicContact CD1-CZ3 4Å; F237-W275 HydrophobicContact CD2-CZ3 4.29Å; F237-W275 HydrophobicContact CE1-CE3 4.33Å; F237-W275 HydrophobicContact CE1-CZ3 4.25Å; F237-W275 HydrophobicContact CE2-CZ3 4.49Å; F237-W275 AromaticContact CG-CE3 3.86Å; F237-W275 HydrophobicContact CG-CE3 3.86Å; F237-W275 HydrophobicContact CG-CZ3 4.05Å; F237-W275 HydrophobicContact CZ-CZ3 4.49Å; M238-W275 WeakPolarHBondContact O-CB 3.48Å; M238-W275 PolarHBondContact O-N 3.31Å; K239-W275 HydrophobicContact CG-CB 3.94Å; K239-W275 HydrophobicContact CG-CG 4.23Å; V273-W275 PolarHBondContact O-N 2.84Å; W275-L301 HydrophobicContact CD2-CD2 4Å; W275-L301 HydrophobicContact CE3-CD2 4.21Å; W275-L301 HydrophobicContact CG-CD2 4.4Å; W275-F316 HydrophobicContact CH2-CE1 4.36Å; W275-F316 HydrophobicContact CZ3-CE1 4.12Å
276	D	96.1	Very high	96	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.048	18%	0.175	C	C	.	.			trans	-121.8	118.9	173.1	-171.8	-25.3	0	0	0	108.4	R168 R172 M274 S278	R168-D276 PolarHBondContact NH1-O 3.31Å; R172-D276 WeakPolarHBondContact CA-OD1 3.44Å; R172-D276 IonicContact CZ-OD2 3.7Å; R172-D276 IonicContact NH1-OD2 3.86Å; R172-D276 PolarHBondContact NH1-OD2 3.39Å; M274-D276 HydrophobicContact CE-CB 3.84Å; M274-D276 HydrophobicContact CG-CB 4.44Å; M274-D276 PolarHBondContact O-N 3.38Å; D276-S278 WeakPolarHBondContact OD1-CA 3.47Å; D276-S278 WeakPolarHBondContact OD1-CB 3.29Å; D276-S278 PolarHBondContact OD1-N 3.02Å; D276-S278 PolarHBondContact OD1-OG 3.16Å; D276-S278 PolarHBondContact OD2-OG 2.87Å
277	T	95.8	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.193	C	C	.	.			trans	-89.2	-4.3	-179.4	58.8	0	0	0	0	112.9	R168 D171 R172 F173 K174 F177	R168-T277 WeakPolarHBondContact CB-O 3.42Å; R168-T277 WeakPolarHBondContact CG-O 3.33Å; R168-T277 VanDerWaalsContact NH1-C 3.29Å; R168-T277 VanDerWaalsContact NH1-CA 3.32Å; R168-T277 PolarHBondContact NH1-O 3.37Å; D171-T277 CarbonylContact O-C 3.49Å; D171-T277 PolarHBondContact O-OG1 3.43Å; R172-T277 VanDerWaalsContact C-OG1 3.26Å; R172-T277 PolarHBondContact O-N 2.98Å; R172-T277 PolarHBondContact O-OG1 3.04Å; R172-T277 VanDerWaalsContact O-OG1 3.09Å; F173-T277 PolarHBondContact N-OG1 3.37Å; K174-T277 WeakPolarHBondContact CB-OG1 3.25Å; K174-T277 PolarHBondContact N-OG1 2.93Å; F177-T277 HydrophobicContact CB-CG2 4.19Å; F177-T277 HydrophobicContact CD1-CG2 3.76Å; F177-T277 HydrophobicContact CD2-CG2 3.54Å; F177-T277 HydrophobicContact CE1-CG2 3.87Å; F177-T277 VanDerWaalsContact CE2-CB 3.43Å; F177-T277 HydrophobicContact CE2-CG2 3.64Å; F177-T277 HydrophobicContact CG-CG2 3.57Å; F177-T277 HydrophobicContact CZ-CG2 3.78Å
278	S	95.4	Very high	96.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	19%	0.194	C	C	.	.	S	Bend	trans	-78.9	168.4	177.6	77.8	0	0	0	0	112.6	R168 N169 D171 D276 Y280	R168-S278 PolarHBondContact NH1-O 2.94Å; N169-S278 CarbonylContact O-C 3.54Å; N169-S278 WeakPolarHBondContact O-CA 3.49Å; N169-S278 WeakPolarHBondContact O-CB 3.41Å; D171-S278 WeakPolarHBondContact O-CA 3.37Å; D171-S278 WeakPolarHBondContact O-CB 3.21Å; D171-S278 PolarHBondContact O-N 3.41Å; D171-S278 VanDerWaalsContact O-N 3.17Å; D276-S278 WeakPolarHBondContact OD1-CA 3.47Å; D276-S278 WeakPolarHBondContact OD1-CB 3.29Å; D276-S278 PolarHBondContact OD1-N 3.02Å; D276-S278 PolarHBondContact OD1-OG 3.16Å; D276-S278 PolarHBondContact OD2-OG 2.87Å; S278-Y280 VanDerWaalsContact C-N 3.35Å; S278-Y280 PolarHBondContact OG-N 2.99Å
279	S	92.9	Very high	96.1	Very high	62 Å²	62	32.5 Å²	32.5	43%	0.434	19%	0.189	S	C	.	.	S	Bend	trans	-84.6	-7.8	169.9	57.2	0	0	0	0	113.6	N169	N169-S279 PolarHBondContact O-N 3.44Å; N169-S279 PolarHBondContact O-OG 2.74Å
280	Y	91.9	Very high	96.2	Very high	112 Å²	112	30 Å²	30	44%	0.439	18%	0.175	S	C	.	.	S	Bend	trans	-74.4	163.6	-171.9	-70.7	-46.8	0	0	0	113.7	H170 S278 K302	H170-Y280 HydrophobicContact CB-CE2 3.66Å; H170-Y280 AromaticContact CE1-CE1 3.94Å; H170-Y280 AromaticContact CE1-CZ 3.61Å; H170-Y280 PolarHBondContact CE1-OH 3.41Å; H170-Y280 VanDerWaalsContact CE1-OH 3.24Å; H170-Y280 AromaticContact CG-CE2 3.74Å; H170-Y280 AromaticContact CG-CZ 3.68Å; H170-Y280 AromaticContact ND1-CE1 3.62Å; H170-Y280 AromaticContact ND1-CE2 3.38Å; H170-Y280 WeakPolarHBondContact ND1-CE2 3.48Å; H170-Y280 AromaticContact ND1-CZ 3.04Å; H170-Y280 PolarHBondContact ND1-OH 2.79Å; S278-Y280 VanDerWaalsContact C-N 3.35Å; S278-Y280 PolarHBondContact OG-N 2.99Å; Y280-K302 PolarHBondContact O-NZ 3.32Å
281	G	90.1	Very high	96.2	Very high	52 Å²	52	34.2 Å²	34.2	54%	0.536	20%	0.197	S	C	.	.			trans	-72.2	165.8	160.8	0	0	0	0	0	111.2	R172	R172-G281 PolarHBondContact NH1-O 3.21Å; R172-G281 PolarHBondContact NH2-O 3.11Å; R172-G281 VanDerWaalsContact NH2-O 3.11Å
282	Y	93.3	Very high	96.1	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.173	19%	0.185	C	C	.	.			trans	-118.1	122.3	169.9	-170.5	-94	0	0	0	108.2	L240 G243 M274 D284	L240-Y282 HydrophobicContact CB-CE2 4.06Å; L240-Y282 WeakPolarHBondContact CB-OH 3.5Å; L240-Y282 HydrophobicContact CD1-CD1 4.36Å; L240-Y282 HydrophobicContact CD1-CE1 3.72Å; L240-Y282 HydrophobicContact CD1-CE2 4.22Å; G243-Y282 WeakPolarHBondContact CA-OH 3.22Å; G243-Y282 PolarHBondContact N-OH 2.81Å; M274-Y282 HydrophobicContact CE-CG 4.24Å; M274-Y282 HydrophobicContact SD-CD1 4.04Å; M274-Y282 HydrophobicContact SD-CD2 3.82Å; M274-Y282 HydrophobicContact SD-CE2 4.35Å; M274-Y282 HydrophobicContact SD-CG 3.63Å; Y282-D284 HydrophobicContact CD1-CB 4.03Å; Y282-D284 HydrophobicContact CE1-CB 4.01Å
283	G	94.1	Very high	96.1	Very high	40 Å²	40	31.2 Å²	31.2	41%	0.412	19%	0.185	S	C	.	.			trans	-87.7	118.2	174	0	0	0	0	0	108.7	G243	G243-G283 CarbonylContact C-O 3.6Å; G243-G283 VanDerWaalsContact C-O 3.31Å; G243-G283 WeakPolarHBondContact CA-O 3.1Å
284	D	95.8	Very high	96.1	Very high	30 Å²	30	31.2 Å²	31.2	16%	0.16	19%	0.185	C	C	.	.			trans	-121.9	111.6	177.2	-174.9	-3.9	0	0	0	109	H249 Y282 F286 S287 W290	H249-D284 IonicContact CD2-OD1 3.77Å; H249-D284 PolarHBondContact CD2-OD1 2.66Å; H249-D284 IonicContact NE2-OD1 3.31Å; H249-D284 PolarHBondContact NE2-OD1 2.79Å; H249-D284 IonicContact NE2-OD2 3.44Å; Y282-D284 HydrophobicContact CD1-CB 4.03Å; Y282-D284 HydrophobicContact CE1-CB 4.01Å; D284-F286 VanDerWaalsContact C-N 3.31Å; D284-F286 WeakPolarHBondContact OD1-CA 3.47Å; D284-F286 PolarHBondContact OD1-N 3.42Å; D284-S287 PolarHBondContact OD1-N 3.34Å; D284-S287 VanDerWaalsContact OD1-N 3.16Å; D284-S287 WeakPolarHBondContact OD2-CA 3.34Å; D284-W290 PolarHBondContact OD2-NE1 2.82Å
285	L	96.2	Very high	96.1	Very high	51 Å²	51	36.1 Å²	36.1	27%	0.267	21%	0.212	S	C	.	.	S	Bend	trans	-87.4	-4.4	179.2	-53.4	-177.4	0	0	0	112.3	G243 V244 Y404	G243-L285 PolarHBondContact O-N 3Å; V244-L285 HydrophobicContact CB-CD1 4.23Å; V244-L285 HydrophobicContact CB-CG 4.48Å; V244-L285 HydrophobicContact CG1-CG 4.43Å; L285-Y404 HydrophobicContact CB-CD2 4.15Å; L285-Y404 HydrophobicContact CB-CE2 4.39Å; L285-Y404 HydrophobicContact CD1-CG 4.42Å; L285-Y404 HydrophobicContact CD2-CD1 3.83Å; L285-Y404 HydrophobicContact CD2-CD2 3.63Å; L285-Y404 HydrophobicContact CD2-CE1 3.73Å; L285-Y404 HydrophobicContact CD2-CE2 3.54Å; L285-Y404 HydrophobicContact CD2-CG 3.79Å; L285-Y404 HydrophobicContact CG-CD2 4.31Å
286	F	96.8	Very high	96.1	Very high	20 Å²	20	40.1 Å²	40.1	9%	0.088	23%	0.227	C	C	.	.			trans	-127.7	25.2	-174.1	-45.7	-79.3	0	0	0	111.6	G243 M246 H249 F250 D284 D288 T289 F409	G243-F286 WeakPolarHBondContact O-CD2 3.43Å; M246-F286 HydrophobicContact CB-CE1 3.77Å; M246-F286 HydrophobicContact CB-CE2 4.02Å; M246-F286 HydrophobicContact CB-CZ 3.44Å; M246-F286 VanDerWaalsContact CB-CZ 3.44Å; M246-F286 HydrophobicContact CG-CD1 4.33Å; M246-F286 HydrophobicContact CG-CE1 3.87Å; M246-F286 HydrophobicContact CG-CZ 4.03Å; M246-F286 HydrophobicContact SD-CE1 4.41Å; H249-F286 HydrophobicContact CB-CD2 4.15Å; H249-F286 AromaticContact CD2-CD2 3.9Å; F250-F286 HydrophobicContact CE2-CB 4.25Å; F250-F286 HydrophobicContact CE2-CD1 4.24Å; F250-F286 HydrophobicContact CE2-CG 4.17Å; D284-F286 VanDerWaalsContact C-N 3.31Å; D284-F286 WeakPolarHBondContact OD1-CA 3.47Å; D284-F286 PolarHBondContact OD1-N 3.42Å; F286-D288 PolarHBondContact O-N 2.89Å; F286-D288 VanDerWaalsContact O-N 3.1Å; F286-T289 VanDerWaalsContact O-CB 3.24Å; F286-T289 WeakPolarHBondContact O-CB 3.33Å; F286-T289 PolarHBondContact O-N 3.27Å; F286-T289 PolarHBondContact O-OG1 2.86Å; F286-F409 HydrophobicContact CB-CD1 4.48Å; F286-F409 HydrophobicContact CB-CE1 4.46Å; F286-F409 AromaticContact CD1-CD2 3.62Å; F286-F409 HydrophobicContact CD1-CD2 3.62Å; F286-F409 AromaticContact CD1-CE2 3.61Å; F286-F409 HydrophobicContact CD1-CE2 3.61Å; F286-F409 HydrophobicContact CD1-CG 4.11Å; F286-F409 HydrophobicContact CD1-CZ 4.09Å; F286-F409 HydrophobicContact CE1-CD2 4.16Å; F286-F409 HydrophobicContact CE1-CE2 4.15Å
287	S	96.6	Very high	96.2	Very high	61 Å²	61	46.8 Å²	46.8	43%	0.427	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.1	-174.2	56.3	0	0	0	0	113.9	D284 T289 W290	D284-S287 PolarHBondContact OD1-N 3.34Å; D284-S287 VanDerWaalsContact OD1-N 3.16Å; D284-S287 WeakPolarHBondContact OD2-CA 3.34Å; S287-T289 PolarHBondContact O-N 3.48Å; S287-T289 VanDerWaalsContact O-N 3.08Å; S287-W290 WeakPolarHBondContact O-CB 3.34Å; S287-W290 PolarHBondContact O-N 2.86Å; S287-W290 VanDerWaalsContact O-N 3.07Å
288	D	97.5	Very high	96.3	Very high	58 Å²	58	48.6 Å²	48.6	31%	0.31	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-54.5	-27.4	172.3	-67	-45.6	0	0	0	112.5	F286 W290 N291 L353 F409 L410	F286-D288 PolarHBondContact O-N 2.89Å; F286-D288 VanDerWaalsContact O-N 3.1Å; D288-W290 VanDerWaalsContact C-N 3.27Å; D288-W290 PolarHBondContact O-N 3.49Å; D288-N291 WeakPolarHBondContact O-CB 3.2Å; D288-N291 PolarHBondContact O-N 2.74Å; D288-N291 PolarHBondContact O-ND2 2.95Å; D288-L353 WeakPolarHBondContact O-CD2 3.28Å; D288-F409 HydrophobicContact CB-CD1 4.37Å; D288-L410 HydrophobicContact CB-CD2 3.91Å; D288-L410 HydrophobicContact CB-CG 4.06Å
289	T	98.5	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-66.5	-26.4	-179.8	-44.7	0	0	0	0	112.7	F250 F253 F286 S287 N291 A292 F293 V349 F409	F250-T289 HydrophobicContact CE1-CG2 4.17Å; F250-T289 HydrophobicContact CZ-CG2 4.18Å; F253-T289 HydrophobicContact CD1-CG2 3.8Å; F253-T289 HydrophobicContact CD2-CG2 3.74Å; F253-T289 HydrophobicContact CE1-CG2 3.85Å; F253-T289 HydrophobicContact CE2-CG2 3.79Å; F253-T289 HydrophobicContact CG-CG2 3.76Å; F253-T289 HydrophobicContact CZ-CG2 3.87Å; F286-T289 VanDerWaalsContact O-CB 3.24Å; F286-T289 WeakPolarHBondContact O-CB 3.33Å; F286-T289 PolarHBondContact O-N 3.27Å; F286-T289 PolarHBondContact O-OG1 2.86Å; S287-T289 PolarHBondContact O-N 3.48Å; S287-T289 VanDerWaalsContact O-N 3.08Å; T289-N291 PolarHBondContact O-N 2.63Å; T289-A292 VanDerWaalsContact O-CB 3.32Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 2.92Å; T289-F293 HydrophobicContact CG2-CE2 4.35Å; T289-V349 HydrophobicContact CG2-CG1 4.26Å; T289-F409 VanDerWaalsContact OG1-CE1 3.23Å; T289-F409 WeakPolarHBondContact OG1-CE1 3.33Å
290	W	98.5	Very high	96.7	Very high	14 Å²	14	49.8 Å²	49.8	5%	0.053	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29	178.1	-67	115.8	0	0	0	112.9	M238 L240 H249 F253 L256 I272 D284 S287 D288 A292 F293 T294 I298	M238-W290 HydrophobicContact CE-CH2 4.09Å; M238-W290 HydrophobicContact CE-CZ3 4.28Å; M238-W290 HydrophobicContact SD-CH2 3.83Å; M238-W290 HydrophobicContact SD-CZ3 3.65Å; L240-W290 HydrophobicContact CD1-CH2 4.47Å; L240-W290 HydrophobicContact CD1-CZ2 4.06Å; L240-W290 HydrophobicContact CD2-CH2 3.87Å; L240-W290 HydrophobicContact CD2-CZ2 4.22Å; H249-W290 AromaticContact CE1-CZ2 3.94Å; F253-W290 HydrophobicContact CD1-CE3 4.4Å; F253-W290 HydrophobicContact CD1-CH2 4.44Å; F253-W290 HydrophobicContact CD1-CZ3 4.27Å; F253-W290 AromaticContact CE1-CD2 3.6Å; F253-W290 HydrophobicContact CE1-CD2 3.6Å; F253-W290 AromaticContact CE1-CE2 3.65Å; F253-W290 AromaticContact CE1-CE3 3.65Å; F253-W290 HydrophobicContact CE1-CE3 3.65Å; F253-W290 HydrophobicContact CE1-CG 4.27Å; F253-W290 AromaticContact CE1-CH2 3.81Å; F253-W290 HydrophobicContact CE1-CH2 3.81Å; F253-W290 AromaticContact CE1-CZ2 3.76Å; F253-W290 HydrophobicContact CE1-CZ2 3.76Å; F253-W290 AromaticContact CE1-CZ3 3.76Å; F253-W290 HydrophobicContact CE1-CZ3 3.76Å; F253-W290 HydrophobicContact CZ-CD2 4.14Å; F253-W290 AromaticContact CZ-CE2 3.81Å; F253-W290 HydrophobicContact CZ-CH2 4.42Å; F253-W290 AromaticContact CZ-CZ2 3.97Å; F253-W290 HydrophobicContact CZ-CZ2 3.97Å; L256-W290 HydrophobicContact CD2-CE3 4.43Å; L256-W290 HydrophobicContact CD2-CZ3 3.88Å; I272-W290 HydrophobicContact CD1-CE3 3.86Å; I272-W290 HydrophobicContact CD1-CZ3 4.01Å; I272-W290 HydrophobicContact CG2-CZ3 4.1Å; D284-W290 PolarHBondContact OD2-NE1 2.82Å; S287-W290 WeakPolarHBondContact O-CB 3.34Å; S287-W290 PolarHBondContact O-N 2.86Å; S287-W290 VanDerWaalsContact O-N 3.07Å; D288-W290 VanDerWaalsContact C-N 3.27Å; D288-W290 PolarHBondContact O-N 3.49Å; W290-A292 PolarHBondContact O-N 3.07Å; W290-F293 PolarHBondContact O-N 2.85Å; W290-T294 PolarHBondContact O-N 3.39Å; W290-I298 HydrophobicContact CB-CD1 4Å; W290-I298 HydrophobicContact CB-CG1 4.2Å; W290-I298 HydrophobicContact CD2-CD1 3.39Å; W290-I298 HydrophobicContact CD2-CG1 3.63Å; W290-I298 HydrophobicContact CE3-CD1 3.48Å; W290-I298 VanDerWaalsContact CE3-CD1 3.48Å; W290-I298 HydrophobicContact CE3-CG1 4.22Å; W290-I298 HydrophobicContact CG-CD1 3.61Å; W290-I298 HydrophobicContact CG-CG1 3.58Å; W290-I298 HydrophobicContact CZ3-CD1 4.15Å
291	N	98.3	Very high	96.9	Very high	93 Å²	93	44.4 Å²	44.4	50%	0.497	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62	-13.5	175.7	-62.2	-39.4	0	0	0	113	D288 T289 F293 L353	D288-N291 WeakPolarHBondContact O-CB 3.2Å; D288-N291 PolarHBondContact O-N 2.74Å; D288-N291 PolarHBondContact O-ND2 2.95Å; T289-N291 PolarHBondContact O-N 2.63Å; N291-F293 VanDerWaalsContact C-N 3.32Å; N291-L353 HydrophobicContact CB-CD2 3.82Å
292	A	98.4	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-74.1	-25.4	170.8	0	0	0	0	0	113.2	T289 W290 V349 R352 L353	T289-A292 VanDerWaalsContact O-CB 3.32Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 2.92Å; W290-A292 PolarHBondContact O-N 3.07Å; A292-V349 HydrophobicContact CB-CG2 4.42Å; A292-R352 HydrophobicContact CB-CB 3.81Å; A292-R352 HydrophobicContact CB-CG 4.39Å; A292-R352 PolarHBondContact O-NE 3.31Å; A292-L353 HydrophobicContact CB-CD2 4.44Å; A292-L353 HydrophobicContact CB-CG 4.48Å
293	F	98.6	Very high	97.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-23.3	-166.3	-60.4	-77.8	0	0	0	114.2	F253 L256 Y257 I272 T289 W290 N291 F345 V349	F253-F293 HydrophobicContact CB-CE2 4.21Å; F253-F293 HydrophobicContact CB-CZ 4.44Å; F253-F293 HydrophobicContact CD1-CD2 4.08Å; F253-F293 AromaticContact CD1-CE2 3.71Å; F253-F293 HydrophobicContact CD1-CE2 3.71Å; F253-F293 HydrophobicContact CG-CE2 4.31Å; L256-F293 HydrophobicContact CD2-CB 3.72Å; L256-F293 HydrophobicContact CD2-CD1 3.7Å; L256-F293 HydrophobicContact CD2-CD2 3.89Å; L256-F293 HydrophobicContact CD2-CE1 4.3Å; L256-F293 HydrophobicContact CD2-CE2 4.46Å; L256-F293 HydrophobicContact CD2-CG 3.48Å; L256-F293 VanDerWaalsContact CD2-CG 3.48Å; L256-F293 HydrophobicContact CG-CD1 3.86Å; L256-F293 HydrophobicContact CG-CE1 4.24Å; L256-F293 HydrophobicContact CG-CG 4.18Å; Y257-F293 HydrophobicContact CD2-CE1 4.42Å; I272-F293 HydrophobicContact CD1-CB 4.02Å; T289-F293 HydrophobicContact CG2-CE2 4.35Å; W290-F293 PolarHBondContact O-N 2.85Å; N291-F293 VanDerWaalsContact C-N 3.32Å; F293-F345 HydrophobicContact CZ-CE2 4.12Å; F293-V349 HydrophobicContact CE2-CG2 4.38Å; F293-V349 HydrophobicContact CZ-CG2 4.17Å
294	T	98.4	Very high	97.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.239	C	C	.	.			trans	-148.7	149.2	-179.5	178.8	0	0	0	0	111.8	T268 V270 I272 W290 Y296 I298	T268-T294 CarbonylContact O-C 3.5Å; T268-T294 VanDerWaalsContact O-CA 3.29Å; T268-T294 WeakPolarHBondContact O-CA 3.49Å; V270-T294 PolarHBondContact O-OG1 2.03Å; I272-T294 HydrophobicContact CD1-CG2 3.69Å; I272-T294 HydrophobicContact CG1-CG2 4.14Å; W290-T294 PolarHBondContact O-N 3.39Å; T294-Y296 VanDerWaalsContact C-N 3.27Å; T294-Y296 VanDerWaalsContact CG2-O 3.22Å; T294-Y296 WeakPolarHBondContact CG2-O 3.41Å; T294-Y296 PolarHBondContact OG1-N 3.4Å; T294-Y296 VanDerWaalsContact OG1-N 3.1Å; T294-I298 HydrophobicContact CG2-CD1 4.12Å
295	D	97.4	Very high	97.6	Very high	107 Å²	107	46.7 Å²	46.7	57%	0.572	24%	0.243	S	C	*	.	S	Bend	trans	-86.3	3.4	171.7	-65.3	-39.4	0	0	0	112.5	T268	T268-D295 WeakPolarHBondContact CB-OD1 3.3Å; T268-D295 WeakPolarHBondContact CB-OD2 3.21Å; T268-D295 PolarHBondContact O-N 3.09Å; T268-D295 VanDerWaalsContact OG1-CG 3.25Å; T268-D295 PolarHBondContact OG1-OD1 2.98Å; T268-D295 PolarHBondContact OG1-OD2 3Å
296	Y	98.3	Very high	97.6	Very high	86 Å²	86	48.8 Å²	48.8	34%	0.337	26%	0.262	S	S	.	.	S	Bend	trans	-124.4	155.6	-173.2	-55.2	-85.7	0	0	0	112.5	K233 D269 V270 Y271 T294	K233-Y296 HydrophobicContact CD-CD2 4.3Å; K233-Y296 HydrophobicContact CD-CE2 3.65Å; K233-Y296 VanDerWaalsContact CE-OH 3.23Å; K233-Y296 WeakPolarHBondContact CE-OH 3.12Å; K233-Y296 PolarHBondContact NZ-OH 3.41Å; D269-Y296 WeakPolarHBondContact OD1-CE2 3.31Å; D269-Y296 PolarHBondContact OD1-OH 3.4Å; V270-Y296 WeakPolarHBondContact O-CD2 3.05Å; Y271-Y296 HydrophobicContact CD1-CD1 4.39Å; Y271-Y296 AromaticContact CD1-CD2 3.93Å; Y271-Y296 HydrophobicContact CD1-CD2 3.93Å; Y271-Y296 AromaticContact CD1-CG 3.86Å; Y271-Y296 HydrophobicContact CD1-CG 3.86Å; Y271-Y296 AromaticContact CE1-CD1 3.73Å; Y271-Y296 HydrophobicContact CE1-CD1 3.73Å; Y271-Y296 AromaticContact CE1-CD2 3.95Å; Y271-Y296 HydrophobicContact CE1-CD2 3.95Å; Y271-Y296 HydrophobicContact CE1-CE1 4.05Å; Y271-Y296 HydrophobicContact CE1-CE2 4.27Å; Y271-Y296 AromaticContact CE1-CG 3.67Å; Y271-Y296 HydrophobicContact CE1-CG 3.67Å; T294-Y296 VanDerWaalsContact C-N 3.27Å; T294-Y296 VanDerWaalsContact CG2-O 3.22Å; T294-Y296 WeakPolarHBondContact CG2-O 3.41Å; T294-Y296 PolarHBondContact OG1-N 3.4Å; T294-Y296 VanDerWaalsContact OG1-N 3.1Å
297	D	97.7	Very high	97.7	Very high	149 Å²	149	51.7 Å²	51.7	80%	0.797	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-61.5	146.8	172.2	-68.9	-32.6	0	0	0	111.7	I299	D297-I299 PolarHBondContact O-N 3.09Å
298	I	98.1	Very high	97.8	Very high	38 Å²	38	51.6 Å²	51.6	20%	0.195	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.4	176.4	-56	-56.4	0	0	0	110.4	I272 M274 W290 T294	I272-I298 HydrophobicContact CB-CD1 3.7Å; I272-I298 HydrophobicContact CD1-CD1 4.19Å; I272-I298 HydrophobicContact CG1-CD1 4.46Å; I272-I298 HydrophobicContact CG2-CD1 3.88Å; M274-I298 HydrophobicContact CB-CG2 3.98Å; W290-I298 HydrophobicContact CB-CD1 4Å; W290-I298 HydrophobicContact CB-CG1 4.2Å; W290-I298 HydrophobicContact CD2-CD1 3.39Å; W290-I298 HydrophobicContact CD2-CG1 3.63Å; W290-I298 HydrophobicContact CE3-CD1 3.48Å; W290-I298 VanDerWaalsContact CE3-CD1 3.48Å; W290-I298 HydrophobicContact CE3-CG1 4.22Å; W290-I298 HydrophobicContact CG-CD1 3.61Å; W290-I298 HydrophobicContact CG-CG1 3.58Å; W290-I298 HydrophobicContact CZ3-CD1 4.15Å; T294-I298 HydrophobicContact CG2-CD1 4.12Å
299	I	98.3	Very high	97.9	Very high	31 Å²	31	48.8 Å²	48.8	16%	0.159	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.1	-177.8	-62.4	164.6	0	0	0	108.6	Y271 I272 V273 M274 D297 T303 Y304	Y271-I299 HydrophobicContact CD1-CD1 3.95Å; Y271-I299 HydrophobicContact CD2-CD1 4.21Å; Y271-I299 HydrophobicContact CG-CD1 3.8Å; I272-I299 PolarHBondContact O-N 2.93Å; V273-I299 CarbonylContact C-O 3.4Å; V273-I299 WeakPolarHBondContact CA-O 3.36Å; V273-I299 HydrophobicContact CG2-CB 4.02Å; V273-I299 HydrophobicContact CG2-CG2 4.12Å; M274-I299 PolarHBondContact N-O 3.39Å; D297-I299 PolarHBondContact O-N 3.09Å; I299-T303 HydrophobicContact CG2-CG2 4.46Å; I299-Y304 HydrophobicContact CG2-CE2 3.85Å
300	H	97.6	Very high	97.9	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.259	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	139.5	170	-67.3	-112.8	0	0	0	110.2	M274 K302 T303	M274-H300 WeakPolarHBondContact CE-CE1 3.28Å; M274-H300 WeakPolarHBondContact CE-ND1 3.47Å; H300-K302 HydrophobicContact CB-CD 4.5Å; H300-K302 HydrophobicContact CB-CG 3.87Å; H300-K302 PolarHBondContact O-N 2.94Å; H300-T303 WeakPolarHBondContact O-CB 3.41Å; H300-T303 PolarHBondContact O-N 2.92Å; H300-T303 PolarHBondContact O-OG1 3.12Å; H300-T303 VanDerWaalsContact O-OG1 3.04Å
301	L	97.4	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-52.5	-34.4	175.5	-177.9	62	0	0	0	112.8	L163 F177 V273 M274 W275 T303 Y304	L163-L301 HydrophobicContact CD1-CD1 4.31Å; F177-L301 HydrophobicContact CE1-CD2 4.02Å; F177-L301 HydrophobicContact CZ-CD2 4.47Å; V273-L301 HydrophobicContact CG1-CB 4.31Å; V273-L301 HydrophobicContact CG1-CD1 4.37Å; M274-L301 WeakPolarHBondContact O-CB 3.41Å; M274-L301 PolarHBondContact O-N 3.27Å; W275-L301 HydrophobicContact CD2-CD2 4Å; W275-L301 HydrophobicContact CE3-CD2 4.21Å; W275-L301 HydrophobicContact CG-CD2 4.4Å; L301-T303 PolarHBondContact O-N 3.42Å; L301-T303 VanDerWaalsContact O-N 3.16Å; L301-Y304 PolarHBondContact O-N 3.32Å; L301-Y304 VanDerWaalsContact O-N 3.08Å
302	K	96.4	Very high	97.9	Very high	72 Å²	72	47.5 Å²	47.5	31%	0.313	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.7	-17.1	177.3	72.2	-170.6	177.3	-176	0	115.1	R168 Y280 H300 Y304 D305	R168-K302 VanDerWaalsContact CZ-CB 3.48Å; R168-K302 VanDerWaalsContact NH2-CA 3.28Å; Y280-K302 PolarHBondContact O-NZ 3.32Å; H300-K302 HydrophobicContact CB-CD 4.5Å; H300-K302 HydrophobicContact CB-CG 3.87Å; H300-K302 PolarHBondContact O-N 2.94Å; K302-Y304 PolarHBondContact O-N 2.93Å; K302-D305 WeakPolarHBondContact O-CB 3.34Å; K302-D305 PolarHBondContact O-N 2.75Å; K302-D305 VanDerWaalsContact O-N 3.16Å
303	T	96.9	Very high	97.9	Very high	83 Å²	83	50.6 Å²	50.6	51%	0.509	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.5	172.3	-59	0	0	0	0	112	I299 H300 L301	I299-T303 HydrophobicContact CG2-CG2 4.46Å; H300-T303 WeakPolarHBondContact O-CB 3.41Å; H300-T303 PolarHBondContact O-N 2.92Å; H300-T303 PolarHBondContact O-OG1 3.12Å; H300-T303 VanDerWaalsContact O-OG1 3.04Å; L301-T303 PolarHBondContact O-N 3.42Å; L301-T303 VanDerWaalsContact O-N 3.16Å
304	Y	97.5	Very high	97.9	Very high	13 Å²	13	50.5 Å²	50.5	5%	0.051	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-98.6	3.6	-179.8	-59.3	-51.5	0	0	0	114	L163 I231 V273 I299 L301 K302 K307 V309 F311	L163-Y304 WeakPolarHBondContact CB-O 3.4Å; I231-Y304 HydrophobicContact CD1-CE1 4.3Å; V273-Y304 HydrophobicContact CG1-CE2 4.33Å; V273-Y304 HydrophobicContact CG2-CE2 4Å; I299-Y304 HydrophobicContact CG2-CE2 3.85Å; L301-Y304 PolarHBondContact O-N 3.32Å; L301-Y304 VanDerWaalsContact O-N 3.08Å; K302-Y304 PolarHBondContact O-N 2.93Å; Y304-K307 WeakPolarHBondContact O-CB 3.42Å; Y304-K307 PolarHBondContact O-N 3.27Å; Y304-V309 HydrophobicContact CD1-CG1 4.38Å; Y304-V309 HydrophobicContact CD1-CG2 3.9Å; Y304-V309 HydrophobicContact CE1-CG1 4.48Å; Y304-V309 HydrophobicContact CG-CG2 3.98Å; Y304-F311 HydrophobicContact CD2-CZ 4.33Å; Y304-F311 HydrophobicContact CE2-CE1 4.34Å; Y304-F311 AromaticContact CE2-CZ 3.94Å; Y304-F311 HydrophobicContact CE2-CZ 3.94Å
305	D	96.5	Very high	97.9	Very high	46 Å²	46	50.7 Å²	50.7	25%	0.246	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	148.6	177.6	-74	-4.5	0	0	0	111.5	R168 K302 K307	R168-D305 WeakPolarHBondContact CD-OD2 3.43Å; R168-D305 IonicContact CZ-OD1 3.38Å; R168-D305 IonicContact CZ-OD2 2.69Å; R168-D305 VanDerWaalsContact NE-CG 3.32Å; R168-D305 IonicContact NE-OD1 2.69Å; R168-D305 PolarHBondContact NE-OD1 3.48Å; R168-D305 IonicContact NE-OD2 3.99Å; R168-D305 PolarHBondContact NE-OD2 2.92Å; R168-D305 IonicContact NH2-OD1 3.79Å; R168-D305 PolarHBondContact NH2-OD1 2.78Å; R168-D305 IonicContact NH2-OD2 3.84Å; K302-D305 WeakPolarHBondContact O-CB 3.34Å; K302-D305 PolarHBondContact O-N 2.75Å; K302-D305 VanDerWaalsContact O-N 3.16Å; D305-K307 PolarHBondContact O-N 2.95Å
306	S	96.9	Very high	98	Very high	95 Å²	95	45.6 Å²	45.6	66%	0.664	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	12	-177.6	-54.2	0	0	0	0	115.4	L163	L163-S306 PolarHBondContact O-N 2.77Å
307	K	98.2	Very high	98	Very high	81 Å²	81	41.5 Å²	41.5	35%	0.352	21%	0.212	S	C	.	.	S	Bend	trans	-130.5	157.8	-177.5	-55.8	-179.1	-173.1	170.6	0	112.6	L163 D228 I229 Y304 D305 V309	L163-K307 WeakPolarHBondContact CA-O 3.38Å; L163-K307 WeakPolarHBondContact CB-O 3.16Å; L163-K307 PolarHBondContact N-O 3.32Å; D228-K307 HydrophobicContact CB-CB 4.45Å; I229-K307 HydrophobicContact CD1-CD 3.37Å; I229-K307 HydrophobicContact CG1-CD 4.1Å; Y304-K307 WeakPolarHBondContact O-CB 3.42Å; Y304-K307 PolarHBondContact O-N 3.27Å; D305-K307 PolarHBondContact O-N 2.95Å; K307-V309 HydrophobicContact CB-CG2 4.14Å
308	R	98.5	Very high	98	Very high	58 Å²	58	34.5 Å²	34.5	22%	0.219	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	160.7	-64.7	165.5	-67.9	168.6	5.6	108.7	Y160 L161 D162 R164 K226 D228 I229	Y160-R308 HydrophobicContact CE2-CB 4.09Å; Y160-R308 HydrophobicContact CE2-CG 4.26Å; Y160-R308 WeakPolarHBondContact OH-CD 3.5Å; Y160-R308 WeakPolarHBondContact OH-CG 3.29Å; L161-R308 CarbonylContact O-C 3.5Å; L161-R308 VanDerWaalsContact O-CA 3.29Å; L161-R308 WeakPolarHBondContact O-CA 3.48Å; D162-R308 HydrophobicContact CB-CG 4.23Å; R164-R308 HydrophobicContact CG-CG 4.38Å; K226-R308 WeakPolarHBondContact O-CD 3.48Å; K226-R308 VanDerWaalsContact O-CZ 3.23Å; K226-R308 PolarHBondContact O-NE 3.04Å; K226-R308 PolarHBondContact O-NH1 2.85Å; K226-R308 VanDerWaalsContact O-NH1 3.09Å; D228-R308 PolarHBondContact N-O 2.94Å; D228-R308 IonicContact OD1-CZ 3.06Å; D228-R308 IonicContact OD1-NE 2.75Å; D228-R308 IonicContact OD1-NH2 2.74Å; D228-R308 PolarHBondContact OD1-NH2 2.86Å; D228-R308 PolarHBondContact OD2-N 3.3Å; D228-R308 IonicContact OD2-NE 2.71Å; D228-R308 PolarHBondContact OD2-NE 2.77Å; D228-R308 IonicContact OD2-NH2 3.41Å; I229-R308 PolarHBondContact N-O 3.17Å; I229-R308 VanDerWaalsContact N-O 3.16Å
309	V	98.6	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.6	-176	-170.4	0	0	0	0	109.4	L161 I229 I231 Y304 K307 F311	L161-V309 PolarHBondContact N-O 2.91Å; L161-V309 PolarHBondContact O-N 2.84Å; I229-V309 HydrophobicContact CB-CG1 4.26Å; I229-V309 HydrophobicContact CB-CG2 4.36Å; I229-V309 HydrophobicContact CG2-CG1 4.31Å; I229-V309 WeakPolarHBondContact O-CA 3.32Å; I231-V309 HydrophobicContact CG1-CG1 3.77Å; Y304-V309 HydrophobicContact CD1-CG1 4.38Å; Y304-V309 HydrophobicContact CD1-CG2 3.9Å; Y304-V309 HydrophobicContact CE1-CG1 4.48Å; Y304-V309 HydrophobicContact CG-CG2 3.98Å; K307-V309 HydrophobicContact CB-CG2 4.14Å; V309-F311 HydrophobicContact CB-CE2 3.94Å; V309-F311 HydrophobicContact CB-CZ 4.33Å; V309-F311 HydrophobicContact CG1-CD2 4.22Å; V309-F311 HydrophobicContact CG1-CE1 4.31Å; V309-F311 HydrophobicContact CG1-CE2 3.5Å; V309-F311 VanDerWaalsContact CG1-CE2 3.5Å; V309-F311 HydrophobicContact CG1-CZ 3.57Å
310	C	98.7	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.1	173.8	-77.5	0	0	0	0	109.1	L159 P221 I222 C227 I229 V230 I231	L159-C310 CarbonylContact O-C 3.47Å; L159-C310 VanDerWaalsContact O-CA 3.22Å; L159-C310 WeakPolarHBondContact O-CA 3.43Å; P221-C310 WeakPolarHBondContact CB-SG 3.45Å; I222-C310 HydrophobicContact CD1-CB 4.14Å; I222-C310 HydrophobicContact CG1-CB 3.63Å; C227-C310 HydrophobicContact CB-CB 3.64Å; C227-C310 WeakPolarHBondContact CB-SG 3.36Å; C227-C310 VanDerWaalsContact SG-CA 3.5Å; C227-C310 WeakPolarHBondContact SG-CB 3.2Å; C227-C310 PolarHBondContact SG-N 3.4Å; C227-C310 CovalentContact SG-SG 2.02Å; C227-C310 PolarHBondContact SG-SG 3.37Å; I229-C310 PolarHBondContact O-N 2.96Å; V230-C310 CarbonylContact C-O 3.32Å; V230-C310 WeakPolarHBondContact CA-O 3.23Å; V230-C310 HydrophobicContact CG1-CB 4.48Å; V230-C310 HydrophobicContact CG2-CB 4.27Å; I231-C310 PolarHBondContact N-O 2.58Å
311	F	98.6	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.6	173.5	-60.9	-96.8	0	0	0	108.5	N158 L159 L161 I231 T235 F237 Y304 V309 E313 A314	N158-F311 CarbonylContact C-O 3.57Å; N158-F311 VanDerWaalsContact CA-O 3.3Å; N158-F311 WeakPolarHBondContact CA-O 3.16Å; N158-F311 PolarHBondContact N-O 3.31Å; L159-F311 HydrophobicContact CB-CB 4.36Å; L159-F311 HydrophobicContact CD2-CD2 4.4Å; L159-F311 PolarHBondContact N-O 3.06Å; L159-F311 PolarHBondContact O-N 3.09Å; L161-F311 HydrophobicContact CD1-CD2 4.34Å; L161-F311 HydrophobicContact CD1-CE2 3.7Å; L161-F311 HydrophobicContact CG-CE2 4.18Å; I231-F311 HydrophobicContact CB-CD1 3.63Å; I231-F311 HydrophobicContact CB-CE1 3.97Å; I231-F311 HydrophobicContact CB-CG 4.32Å; I231-F311 HydrophobicContact CG1-CD1 3.83Å; I231-F311 HydrophobicContact CG1-CE1 3.64Å; I231-F311 HydrophobicContact CG1-CZ 4.22Å; I231-F311 HydrophobicContact CG2-CD1 3.88Å; I231-F311 HydrophobicContact CG2-CE1 4.18Å; T235-F311 HydrophobicContact CG2-CD1 3.85Å; T235-F311 HydrophobicContact CG2-CE1 3.79Å; T235-F311 WeakPolarHBondContact OG1-CD1 3.44Å; F237-F311 HydrophobicContact CE1-CE1 4.37Å; F237-F311 HydrophobicContact CE1-CZ 4.19Å; F237-F311 HydrophobicContact CZ-CD1 4.28Å; F237-F311 HydrophobicContact CZ-CD2 4.13Å; F237-F311 HydrophobicContact CZ-CE1 4.05Å; F237-F311 AromaticContact CZ-CE2 3.93Å; F237-F311 HydrophobicContact CZ-CE2 3.93Å; F237-F311 HydrophobicContact CZ-CG 4.32Å; F237-F311 AromaticContact CZ-CZ 3.87Å; F237-F311 HydrophobicContact CZ-CZ 3.87Å; Y304-F311 HydrophobicContact CD2-CZ 4.33Å; Y304-F311 HydrophobicContact CE2-CE1 4.34Å; Y304-F311 AromaticContact CE2-CZ 3.94Å; Y304-F311 HydrophobicContact CE2-CZ 3.94Å; V309-F311 HydrophobicContact CB-CE2 3.94Å; V309-F311 HydrophobicContact CB-CZ 4.33Å; V309-F311 HydrophobicContact CG1-CD2 4.22Å; V309-F311 HydrophobicContact CG1-CE1 4.31Å; V309-F311 HydrophobicContact CG1-CE2 3.5Å; V309-F311 VanDerWaalsContact CG1-CE2 3.5Å; V309-F311 HydrophobicContact CG1-CZ 3.57Å; F311-E313 VanDerWaalsContact C-N 3.3Å; F311-E313 PolarHBondContact O-N 3.46Å; F311-A314 HydrophobicContact CB-CB 4.2Å
312	K	98.3	Very high	97.5	Very high	79 Å²	79	31.6 Å²	31.6	34%	0.343	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-43.3	175.8	-84.3	-156.5	176.7	168.4	0	111.6	T157 N158 I222 I231 E232	T157-K312 CarbonylContact C-O 3.43Å; T157-K312 VanDerWaalsContact CA-O 3.23Å; T157-K312 WeakPolarHBondContact CA-O 3.34Å; N158-K312 PolarHBondContact N-O 3.27Å; I222-K312 HydrophobicContact CD1-CG 3.63Å; I231-K312 PolarHBondContact O-N 3.14Å; E232-K312 VanDerWaalsContact CD-CE 3.44Å; E232-K312 WeakPolarHBondContact OE1-CE 3.14Å; E232-K312 IonicContact OE1-NZ 3.78Å; E232-K312 PolarHBondContact OE1-NZ 3.08Å; E232-K312 WeakPolarHBondContact OE2-CD 3.47Å; E232-K312 WeakPolarHBondContact OE2-CE 3.42Å; E232-K312 IonicContact OE2-NZ 3.87Å; E232-K312 PolarHBondContact OE2-NZ 3.04Å
313	E	98.4	Very high	97.3	Very high	66 Å²	66	34.2 Å²	34.2	31%	0.308	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.2	172.4	-62.6	-161.2	122.6	0	0	110.4	R155 P234 T235 F311	R155-E313 IonicContact CZ-OE1 2.75Å; R155-E313 IonicContact NH2-OE1 3.55Å; R155-E313 PolarHBondContact NH2-OE1 3.39Å; P234-E313 HydrophobicContact CB-CB 4.39Å; P234-E313 WeakPolarHBondContact CG-OE2 2.96Å; T235-E313 PolarHBondContact N-O 2.71Å; F311-E313 VanDerWaalsContact C-N 3.3Å; F311-E313 PolarHBondContact O-N 3.46Å
314	A	98.7	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.8	176.2	0	0	0	0	0	110.9	R155 A156 L159 T235 F237 F311	R155-A314 CarbonylContact C-O 3.53Å; R155-A314 WeakPolarHBondContact CA-O 3.39Å; A156-A314 HydrophobicContact CB-CB 4.41Å; A156-A314 PolarHBondContact N-O 2.93Å; A156-A314 PolarHBondContact O-N 3.13Å; L159-A314 HydrophobicContact CB-CB 4.4Å; L159-A314 HydrophobicContact CD2-CB 3.74Å; T235-A314 CarbonylContact O-C 3.49Å; T235-A314 VanDerWaalsContact O-CA 3.29Å; T235-A314 WeakPolarHBondContact O-CA 3.49Å; F237-A314 HydrophobicContact CD2-CB 4.3Å; F237-A314 HydrophobicContact CE2-CB 3.74Å; F311-A314 HydrophobicContact CB-CB 4.2Å
315	V	98.9	Very high	96.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.8	175.5	177.5	0	0	0	0	108	Y153 C154 T235 Y236 F237 T259	Y153-V315 HydrophobicContact CD2-CG1 4.32Å; Y153-V315 HydrophobicContact CE2-CG1 3.52Å; C154-V315 CarbonylContact O-C 3.59Å; C154-V315 WeakPolarHBondContact O-CA 3.2Å; T235-V315 PolarHBondContact O-N 3.21Å; Y236-V315 CarbonylContact C-O 3.49Å; Y236-V315 WeakPolarHBondContact CA-O 3.38Å; Y236-V315 HydrophobicContact CD1-CB 3.98Å; Y236-V315 HydrophobicContact CD1-CG1 3.85Å; Y236-V315 HydrophobicContact CD2-CB 4.37Å; Y236-V315 HydrophobicContact CE1-CB 4.2Å; Y236-V315 HydrophobicContact CE1-CG1 3.94Å; Y236-V315 HydrophobicContact CE1-CG2 4.42Å; Y236-V315 HydrophobicContact CE2-CG2 4.3Å; Y236-V315 HydrophobicContact CG-CB 4.09Å; Y236-V315 HydrophobicContact CG-CG1 4.45Å; F237-V315 PolarHBondContact N-O 2.86Å; T259-V315 HydrophobicContact CG2-CG1 3.75Å
316	F	98.8	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.1	168.5	-64.3	-92.7	0	0	0	107.3	Y153 C154 A156 L159 W207 L211 F237 W275	Y153-F316 WeakPolarHBondContact CA-O 3.19Å; Y153-F316 WeakPolarHBondContact CD2-O 3.17Å; C154-F316 HydrophobicContact CB-CB 3.97Å; C154-F316 HydrophobicContact CB-CD2 3.83Å; C154-F316 HydrophobicContact CB-CG 4.23Å; C154-F316 PolarHBondContact N-O 2.6Å; C154-F316 VanDerWaalsContact N-O 3.14Å; C154-F316 PolarHBondContact O-N 2.83Å; A156-F316 HydrophobicContact CB-CE2 4.45Å; L159-F316 HydrophobicContact CD2-CE2 4.23Å; L159-F316 HydrophobicContact CD2-CZ 3.98Å; W207-F316 HydrophobicContact CD2-CB 3.89Å; W207-F316 AromaticContact CD2-CD1 3.74Å; W207-F316 HydrophobicContact CD2-CD1 3.74Å; W207-F316 HydrophobicContact CD2-CG 4.28Å; W207-F316 AromaticContact CE3-CD1 3.63Å; W207-F316 HydrophobicContact CE3-CD1 3.63Å; W207-F316 HydrophobicContact CE3-CE1 4.34Å; W207-F316 HydrophobicContact CG-CB 3.87Å; W207-F316 HydrophobicContact CG-CD1 4.19Å; W207-F316 HydrophobicContact CG-CG 4.4Å; W207-F316 HydrophobicContact CH2-CD1 4.35Å; W207-F316 HydrophobicContact CZ2-CB 4.31Å; W207-F316 HydrophobicContact CZ2-CD1 4.49Å; W207-F316 AromaticContact CZ3-CD1 3.95Å; W207-F316 HydrophobicContact CZ3-CD1 3.95Å; L211-F316 HydrophobicContact CD1-CD2 4.5Å; L211-F316 HydrophobicContact CD2-CE1 4.2Å; L211-F316 HydrophobicContact CD2-CE2 4.17Å; L211-F316 HydrophobicContact CD2-CZ 3.8Å; F237-F316 HydrophobicContact CB-CD1 4.12Å; F237-F316 HydrophobicContact CB-CE1 4.47Å; F237-F316 AromaticContact CD2-CD1 3.92Å; F237-F316 HydrophobicContact CD2-CD1 3.92Å; F237-F316 AromaticContact CD2-CE1 3.61Å; F237-F316 HydrophobicContact CD2-CE1 3.61Å; F237-F316 HydrophobicContact CD2-CE2 4.23Å; F237-F316 HydrophobicContact CD2-CG 4.36Å; F237-F316 AromaticContact CD2-CZ 3.78Å; F237-F316 HydrophobicContact CD2-CZ 3.78Å; F237-F316 HydrophobicContact CE2-CE1 4.24Å; F237-F316 HydrophobicContact CE2-CZ 4.04Å; F237-F316 HydrophobicContact CG-CD1 4.42Å; F237-F316 HydrophobicContact CG-CE1 4.31Å; W275-F316 HydrophobicContact CH2-CE1 4.36Å; W275-F316 HydrophobicContact CZ3-CE1 4.12Å
317	S	98.4	Very high	96.1	Very high	1 Å²	1	29 Å²	29	1%	0.007	12%	0.119	C	C	.	.			trans	-65.8	160.4	-168.9	74.4	0	0	0	0	112.9	W207 F237	W207-S317 PolarHBondContact NE1-O 3.22Å; F237-S317 WeakPolarHBondContact O-CB 3.5Å; F237-S317 PolarHBondContact O-N 3.05Å; F237-S317 PolarHBondContact O-OG 3.27Å
318	L	98.1	Very high	95.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	11%	0.107	C	C	.	.			trans	-58.2	146.4	165	-69.6	165.7	0	0	0	110.5	R127 Y153 N255 L258 T259 V262 M322	R127-L318 HydrophobicContact CG-CD2 4.12Å; Y153-L318 HydrophobicContact CD2-CG 4.49Å; N255-L318 HydrophobicContact CB-CB 4.22Å; L258-L318 HydrophobicContact CB-CD1 4.03Å; L258-L318 HydrophobicContact CD2-CD1 3.31Å; L258-L318 HydrophobicContact CG-CD1 3.42Å; L258-L318 VanDerWaalsContact CG-CD1 3.42Å; T259-L318 PolarHBondContact OG1-N 3.23Å; V262-L318 HydrophobicContact CG2-CD1 4.18Å; L318-M322 HydrophobicContact CB-CE 3.93Å; L318-M322 HydrophobicContact CD2-CE 3.94Å; L318-M322 HydrophobicContact CD2-SD 3.93Å; L318-M322 HydrophobicContact CG-CE 4.46Å
319	L	97.1	Very high	95.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	12%	0.119	C	C	.	.			trans	-104	148.4	-168	-60.9	121.9	0	0	0	113	Q152 L204 W207 K239 R321 M322	Q152-L319 WeakPolarHBondContact O-CD1 3.4Å; L204-L319 WeakPolarHBondContact O-CB 3.33Å; W207-L319 HydrophobicContact CD2-CD2 4.35Å; W207-L319 HydrophobicContact CG-CD1 4.32Å; W207-L319 HydrophobicContact CZ2-CD2 4.25Å; K239-L319 HydrophobicContact CB-CD2 4.27Å; K239-L319 HydrophobicContact CD-CD2 3.81Å; K239-L319 HydrophobicContact CG-CD2 4.43Å; L319-R321 VanDerWaalsContact C-N 3.33Å; L319-R321 PolarHBondContact O-N 3.2Å; L319-M322 HydrophobicContact CB-CG 3.99Å; L319-M322 WeakPolarHBondContact O-CE 3.05Å; L319-M322 WeakPolarHBondContact O-CG 3.45Å
320	P	95.2	Very high	94.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.019	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	-169.5	24	-34.9	0	0	0	115.8	L204 D241 C251 D252	L204-P320 HydrophobicContact CB-CG 4.18Å; L204-P320 HydrophobicContact CD1-CG 4.35Å; L204-P320 HydrophobicContact CD2-CG 3.96Å; L204-P320 HydrophobicContact CG-CG 4.39Å; D241-P320 HydrophobicContact CB-CB 4.2Å; D241-P320 HydrophobicContact CB-CG 4.19Å; C251-P320 HydrophobicContact CB-CB 4.31Å; C251-P320 WeakPolarHBondContact SG-CB 3.23Å; D252-P320 VanDerWaalsContact OD1-CB 3.27Å; D252-P320 WeakPolarHBondContact OD1-CB 3.32Å; D252-P320 VanDerWaalsContact OD1-CG 3.28Å; D252-P320 WeakPolarHBondContact OD1-CG 3.24Å
321	R	94.7	Very high	94.3	Very high	60 Å²	60	30.1 Å²	30.1	23%	0.226	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	17.4	-172.5	-59.2	-63.2	-165.7	147.6	6.9	113.7	L204 Q205 D241 H248 L319 R323 Y328 N329	L204-R321 HydrophobicContact CB-CB 3.7Å; L204-R321 HydrophobicContact CB-CG 3.7Å; L204-R321 HydrophobicContact CD1-CG 3.83Å; L204-R321 HydrophobicContact CG-CG 4.44Å; L204-R321 CarbonylContact O-C 3.31Å; L204-R321 WeakPolarHBondContact O-CA 3.39Å; L204-R321 WeakPolarHBondContact O-CB 3.29Å; L204-R321 PolarHBondContact O-N 3.43Å; Q205-R321 HydrophobicContact CG-CB 4.27Å; Q205-R321 VanDerWaalsContact CG-O 3.27Å; Q205-R321 WeakPolarHBondContact CG-O 3.4Å; D241-R321 VanDerWaalsContact CG-NE 3.28Å; D241-R321 VanDerWaalsContact CG-NH2 3.3Å; D241-R321 IonicContact OD1-CZ 3.04Å; D241-R321 IonicContact OD1-NE 2.65Å; D241-R321 PolarHBondContact OD1-NE 2.81Å; D241-R321 IonicContact OD1-NH2 2.85Å; D241-R321 PolarHBondContact OD1-NH2 3.31Å; D241-R321 IonicContact OD2-CZ 3.55Å; D241-R321 VanDerWaalsContact OD2-CZ 3.27Å; D241-R321 IonicContact OD2-NE 3.32Å; D241-R321 PolarHBondContact OD2-NE 3.22Å; D241-R321 IonicContact OD2-NH2 3.3Å; D241-R321 PolarHBondContact OD2-NH2 3.41Å; H248-R321 PolarHBondContact CE1-NH2 3.35Å; H248-R321 VanDerWaalsContact CE1-NH2 3.31Å; H248-R321 PolarHBondContact ND1-NH2 2.87Å; L319-R321 VanDerWaalsContact C-N 3.33Å; L319-R321 PolarHBondContact O-N 3.2Å; R321-R323 PolarHBondContact O-N 2.8Å; R321-Y328 VanDerWaalsContact NH1-CZ 3.26Å; R321-N329 PolarHBondContact O-ND2 3.35Å; R321-N329 VanDerWaalsContact O-ND2 3.16Å
322	M	94.1	Very high	94	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.138	C	C	.	.			trans	-46.4	139.4	-179.9	-70.9	-178.4	-64.2	0	0	112	Y123 Q152 N255 L318 L319 Y324 G325 N329	Y123-M322 HydrophobicContact CE1-CE 4.36Å; Y123-M322 WeakPolarHBondContact OH-CE 3.41Å; Q152-M322 HydrophobicContact CB-SD 3.73Å; Q152-M322 HydrophobicContact CG-CG 4.36Å; Q152-M322 HydrophobicContact CG-SD 3.97Å; N255-M322 WeakPolarHBondContact OD1-CE 3.24Å; L318-M322 HydrophobicContact CB-CE 3.93Å; L318-M322 HydrophobicContact CD2-CE 3.94Å; L318-M322 HydrophobicContact CD2-SD 3.93Å; L318-M322 HydrophobicContact CG-CE 4.46Å; L319-M322 HydrophobicContact CB-CG 3.99Å; L319-M322 WeakPolarHBondContact O-CE 3.05Å; L319-M322 WeakPolarHBondContact O-CG 3.45Å; M322-Y324 PolarHBondContact O-N 3.04Å; M322-G325 WeakPolarHBondContact O-CA 3.45Å; M322-G325 PolarHBondContact O-N 3.44Å; M322-N329 PolarHBondContact O-ND2 2.72Å
323	R	91.2	Very high	93.6	Very high	126 Å²	126	27 Å²	27	48%	0.475	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	125.9	170.7	-175.3	-179.9	176.9	172.2	-0.2	108.9	R200 R321 G325	R200-R323 PolarHBondContact NH1-O 2.97Å; R321-R323 PolarHBondContact O-N 2.8Å; R323-G325 PolarHBondContact O-N 2.87Å
324	Y	91.6	Very high	93.2	Very high	115 Å²	115	25 Å²	25	45%	0.451	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.3	-168.1	-46.1	-61.7	0	0	0	111.8	Y123 M322 N329 P331	Y123-Y324 VanDerWaalsContact CE2-O 3.28Å; Y123-Y324 WeakPolarHBondContact CE2-O 3.49Å; M322-Y324 PolarHBondContact O-N 3.04Å; Y324-N329 VanDerWaalsContact CA-O 3.28Å; Y324-N329 WeakPolarHBondContact CA-O 3.43Å; Y324-P331 HydrophobicContact CD1-CB 4.36Å; Y324-P331 HydrophobicContact CD1-CG 4.17Å
325	G	91.6	Very high	92.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	12%	0.122	C	C	.	.			trans	-82.9	-173.9	178.1	0	0	0	0	0	113.3	M322 R323 Y328 T330	M322-G325 WeakPolarHBondContact O-CA 3.45Å; M322-G325 PolarHBondContact O-N 3.44Å; R323-G325 PolarHBondContact O-N 2.87Å; G325-Y328 CarbonylContact C-O 3.59Å; G325-Y328 VanDerWaalsContact C-O 3.32Å; G325-T330 WeakPolarHBondContact O-CA 3.31Å; G325-T330 VanDerWaalsContact O-CB 3.28Å; G325-T330 WeakPolarHBondContact O-CB 3.25Å; G325-T330 PolarHBondContact O-N 3.13Å; G325-T330 PolarHBondContact O-OG1 3.14Å
326	L	90.4	Very high	92.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-99.5	148.9	172.3	-72.1	164.6	0	0	0	111.1	Y123 N255 L258 Y328 T330 L341 F342	Y123-L326 HydrophobicContact CD1-CD1 3.4Å; Y123-L326 VanDerWaalsContact CD1-CD1 3.4Å; Y123-L326 HydrophobicContact CD1-CG 4Å; Y123-L326 HydrophobicContact CD2-CD1 4.33Å; Y123-L326 HydrophobicContact CD2-CD2 4.49Å; Y123-L326 HydrophobicContact CD2-CG 4.13Å; Y123-L326 HydrophobicContact CE1-CD1 3.9Å; Y123-L326 HydrophobicContact CE1-CG 4.23Å; Y123-L326 HydrophobicContact CE2-CG 4.38Å; Y123-L326 HydrophobicContact CG-CD1 3.64Å; Y123-L326 HydrophobicContact CG-CD2 4.38Å; Y123-L326 HydrophobicContact CG-CG 3.93Å; N255-L326 PolarHBondContact ND2-O 3.26Å; L258-L326 HydrophobicContact CD2-CD1 3.36Å; L326-Y328 PolarHBondContact O-N 3.06Å; L326-T330 WeakPolarHBondContact CA-OG1 3.41Å; L326-T330 HydrophobicContact CD2-CG2 4.26Å; L326-L341 HydrophobicContact CD1-CD2 3.62Å; L326-L341 HydrophobicContact CD2-CD2 4.49Å; L326-F342 HydrophobicContact CD2-CE2 4.4Å
327	F	90.6	Very high	92.4	Very high	13 Å²	13	29.8 Å²	29.8	6%	0.057	14%	0.141	C	C	.	.	S	Bend	trans	69.9	-53.4	-171.5	-160.6	-76.5	0	0	0	113.6	Y247 F250 C251 I254 T330 F342 L434 L457	Y247-F327 HydrophobicContact CD1-CE1 4.42Å; Y247-F327 AromaticContact CD2-CE1 3.88Å; Y247-F327 HydrophobicContact CD2-CE1 3.88Å; Y247-F327 AromaticContact CD2-CZ 3.84Å; Y247-F327 HydrophobicContact CD2-CZ 3.84Å; Y247-F327 HydrophobicContact CE1-CE1 4.25Å; Y247-F327 AromaticContact CE2-CE1 3.67Å; Y247-F327 HydrophobicContact CE2-CE1 3.67Å; Y247-F327 AromaticContact CE2-CZ 3.88Å; Y247-F327 HydrophobicContact CE2-CZ 3.88Å; Y247-F327 HydrophobicContact CG-CE1 4.23Å; Y247-F327 HydrophobicContact CG-CZ 4.41Å; Y247-F327 AromaticContact CZ-CE1 3.84Å; Y247-F327 WeakPolarHBondContact O-CE1 2.98Å; Y247-F327 VanDerWaalsContact O-CZ 3.24Å; Y247-F327 WeakPolarHBondContact O-CZ 2.94Å; F250-F327 HydrophobicContact CB-CE2 4.31Å; F250-F327 HydrophobicContact CB-CZ 4.45Å; C251-F327 HydrophobicContact CB-CB 3.8Å; C251-F327 HydrophobicContact CB-CD1 3.41Å; C251-F327 VanDerWaalsContact CB-CD1 3.41Å; C251-F327 HydrophobicContact CB-CD2 4.26Å; C251-F327 HydrophobicContact CB-CE1 3.96Å; C251-F327 HydrophobicContact CB-CG 3.57Å; I254-F327 HydrophobicContact CD1-CD2 3.43Å; I254-F327 VanDerWaalsContact CD1-CD2 3.43Å; I254-F327 HydrophobicContact CD1-CE2 3.74Å; F327-T330 PolarHBondContact N-OG1 3.34Å; F327-F342 HydrophobicContact CD2-CE1 4.07Å; F327-L434 HydrophobicContact CE2-CD1 4.29Å; F327-L457 HydrophobicContact CD2-CD1 3.9Å; F327-L457 HydrophobicContact CE2-CD1 3.56Å; F327-L457 HydrophobicContact CE2-CD2 4.44Å; F327-L457 HydrophobicContact CZ-CD1 4.11Å; F327-L457 HydrophobicContact CZ-CD2 4.39Å
328	Y	88.7	Confident	92.1	Very high	22 Å²	22	32.5 Å²	32.5	9%	0.086	16%	0.155	C	C	.	.	S	Bend	trans	-107.6	146.6	171.1	-78.2	-67.3	0	0	0	111.7	Y247 H248 C251 R321 G325 L326 T330	Y247-Y328 HydrophobicContact CD1-CE1 4.37Å; Y247-Y328 AromaticContact CD1-CZ 3.9Å; Y247-Y328 WeakPolarHBondContact CD1-OH 3.29Å; Y247-Y328 AromaticContact CE1-CE1 3.55Å; Y247-Y328 HydrophobicContact CE1-CE1 3.55Å; Y247-Y328 AromaticContact CE1-CZ 3.51Å; Y247-Y328 WeakPolarHBondContact CE1-OH 3.43Å; H248-Y328 PolarHBondContact CE1-OH 2.78Å; H248-Y328 AromaticContact ND1-CZ 3.82Å; H248-Y328 PolarHBondContact ND1-OH 3.1Å; C251-Y328 HydrophobicContact CB-CD2 3.78Å; C251-Y328 HydrophobicContact CB-CE2 3.87Å; R321-Y328 VanDerWaalsContact NH1-CZ 3.26Å; G325-Y328 CarbonylContact C-O 3.59Å; G325-Y328 VanDerWaalsContact C-O 3.32Å; L326-Y328 PolarHBondContact O-N 3.06Å; Y328-T330 PolarHBondContact O-N 3.48Å
329	N	87.8	Confident	91.9	Very high	90 Å²	90	32.4 Å²	32.4	48%	0.481	16%	0.155	S	C	.	.	S	Bend	trans	57	19.6	176.4	-51.5	-43.8	0	0	0	113.9	R321 M322 Y324 P331	R321-N329 PolarHBondContact O-ND2 3.35Å; R321-N329 VanDerWaalsContact O-ND2 3.16Å; M322-N329 PolarHBondContact O-ND2 2.72Å; Y324-N329 VanDerWaalsContact CA-O 3.28Å; Y324-N329 WeakPolarHBondContact CA-O 3.43Å; N329-P331 WeakPolarHBondContact O-CD 3.46Å
330	T	91.3	Very high	91.8	Very high	21 Å²	21	32.5 Å²	32.5	13%	0.129	16%	0.156	C	C	.	.			trans	-71.4	122.5	179.1	-46	0	0	0	0	109.3	A119 G325 L326 F327 Y328 L332	A119-T330 HydrophobicContact CB-CG2 4.16Å; G325-T330 WeakPolarHBondContact O-CA 3.31Å; G325-T330 VanDerWaalsContact O-CB 3.28Å; G325-T330 WeakPolarHBondContact O-CB 3.25Å; G325-T330 PolarHBondContact O-N 3.13Å; G325-T330 PolarHBondContact O-OG1 3.14Å; L326-T330 WeakPolarHBondContact CA-OG1 3.41Å; L326-T330 HydrophobicContact CD2-CG2 4.26Å; F327-T330 PolarHBondContact N-OG1 3.34Å; Y328-T330 PolarHBondContact O-N 3.48Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 HydrophobicContact CG2-CD2 3.54Å; T330-L332 HydrophobicContact CG2-CG 3.98Å; T330-L332 PolarHBondContact O-N 2.8Å
331	P	88.3	Confident	91.9	Very high	29 Å²	29	32.4 Å²	32.4	19%	0.188	16%	0.155	C	C	.	.			trans	-77.2	78.5	-179.2	31.3	-33.5	0	0	0	110.1	W104 Q118 Y324 N329 I333	W104-P331 HydrophobicContact CH2-CB 4.01Å; W104-P331 HydrophobicContact CZ3-CB 4.5Å; Q118-P331 HydrophobicContact CB-CG 4.21Å; Q118-P331 HydrophobicContact CG-CG 4.09Å; Q118-P331 PolarHBondContact OE1-O 3.2Å; Y324-P331 HydrophobicContact CD1-CB 4.36Å; Y324-P331 HydrophobicContact CD1-CG 4.17Å; N329-P331 WeakPolarHBondContact O-CD 3.46Å; P331-I333 PolarHBondContact O-N 3.46Å
332	L	91	Very high	92.1	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	14%	0.144	C	C	.	.			trans	-82.8	109.7	-176.5	-61.6	178.5	0	0	0	112.2	F115 A119 T330 D456 L460	F115-L332 HydrophobicContact CD2-CD2 4.19Å; F115-L332 HydrophobicContact CE2-CB 4.37Å; F115-L332 HydrophobicContact CE2-CD2 3.68Å; F115-L332 HydrophobicContact CE2-CG 4.47Å; F115-L332 HydrophobicContact CZ-CD2 4.18Å; A119-L332 HydrophobicContact CB-CD2 3.44Å; A119-L332 VanDerWaalsContact CB-CD2 3.44Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 HydrophobicContact CG2-CD2 3.54Å; T330-L332 HydrophobicContact CG2-CG 3.98Å; T330-L332 PolarHBondContact O-N 2.8Å; L332-D456 HydrophobicContact CD1-CB 3.65Å; L332-L460 HydrophobicContact CD1-CD1 4.1Å; L332-L460 HydrophobicContact CD1-CD2 4.17Å; L332-L460 HydrophobicContact CD1-CG 3.91Å; L332-L460 HydrophobicContact CD2-CD2 3.82Å; L332-L460 HydrophobicContact CD2-CG 4.47Å
333	I	91.3	Very high	92.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.			trans	-53.9	139	166.2	-176	170.5	0	0	0	110.4	D101 W104 T105 A111 I114 F115 P331 C336 R459	D101-I333 HydrophobicContact CB-CG1 4.3Å; W104-I333 HydrophobicContact CB-CD1 3.43Å; W104-I333 VanDerWaalsContact CB-CD1 3.43Å; W104-I333 HydrophobicContact CB-CG1 3.85Å; W104-I333 HydrophobicContact CD2-CB 4.02Å; W104-I333 HydrophobicContact CD2-CD1 4.39Å; W104-I333 HydrophobicContact CD2-CG1 4.02Å; W104-I333 HydrophobicContact CE3-CB 4.11Å; W104-I333 HydrophobicContact CE3-CG1 4.48Å; W104-I333 HydrophobicContact CG-CB 4.27Å; W104-I333 HydrophobicContact CG-CD1 3.89Å; W104-I333 HydrophobicContact CG-CG1 3.72Å; T105-I333 HydrophobicContact CG2-CD1 3.86Å; A111-I333 HydrophobicContact CB-CD1 3.82Å; I114-I333 HydrophobicContact CG2-CB 4.5Å; I114-I333 HydrophobicContact CG2-CG2 4.31Å; F115-I333 HydrophobicContact CB-CG2 3.84Å; F115-I333 HydrophobicContact CD2-CG2 3.81Å; F115-I333 HydrophobicContact CG-CG2 4.33Å; P331-I333 PolarHBondContact O-N 3.46Å; I333-C336 HydrophobicContact CG2-CB 4.24Å; I333-R459 PolarHBondContact O-NH2 2.02Å
334	S	89.6	Confident	92.6	Very high	25 Å²	25	24.8 Å²	24.8	18%	0.175	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	158.4	-179.3	-49.6	0	0	0	0	112.7	Y99 D101 C336	Y99-S334 WeakPolarHBondContact OH-CB 3.11Å; D101-S334 WeakPolarHBondContact OD2-CB 3.39Å; D101-S334 PolarHBondContact OD2-OG 2.83Å; S334-C336 PolarHBondContact O-N 2.99Å; S334-C336 VanDerWaalsContact O-N 3.09Å
335	G	89.7	Confident	92.9	Very high	15 Å²	15	19.3 Å²	19.3	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-10.5	172.5	0	0	0	0	0	116.3	C97 S98 Y99	C97-G335 WeakPolarHBondContact CA-O 3.25Å; S98-G335 PolarHBondContact N-O 3.36Å; S98-G335 PolarHBondContact OG-O 3.48Å; Y99-G335 VanDerWaalsContact CE1-CA 3.43Å
336	C	94.5	Very high	93.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.7	178	-56.1	0	0	0	0	113	V96 C97 F115 I333 S334 R459	V96-C336 WeakPolarHBondContact O-CA 3.26Å; C97-C336 HydrophobicContact CB-CB 4.12Å; C97-C336 WeakPolarHBondContact CB-SG 3.48Å; C97-C336 WeakPolarHBondContact SG-CB 3.18Å; C97-C336 CovalentContact SG-SG 2.03Å; C97-C336 PolarHBondContact SG-SG 3.48Å; F115-C336 HydrophobicContact CB-CB 3.95Å; F115-C336 HydrophobicContact CD1-CB 4.31Å; F115-C336 HydrophobicContact CD2-CB 3.39Å; F115-C336 HydrophobicContact CE2-CB 3.85Å; F115-C336 HydrophobicContact CG-CB 3.64Å; F115-C336 HydrophobicContact CZ-CB 4.47Å; I333-C336 HydrophobicContact CG2-CB 4.24Å; S334-C336 PolarHBondContact O-N 2.99Å; S334-C336 VanDerWaalsContact O-N 3.09Å; C336-R459 VanDerWaalsContact O-CZ 3.29Å; C336-R459 PolarHBondContact O-NE 2.97Å; C336-R459 PolarHBondContact O-NH2 2.88Å
337	Q	95.1	Very high	93.6	Very high	88 Å²	88	21 Å²	21	41%	0.411	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	177.9	178.8	62	-176.9	6.4	0	0	111.8	P95 V96 R459	P95-Q337 VanDerWaalsContact CA-O 3.3Å; P95-Q337 WeakPolarHBondContact CA-O 3.41Å; P95-Q337 WeakPolarHBondContact CB-O 3.48Å; V96-Q337 PolarHBondContact N-O 3.36Å; V96-Q337 PolarHBondContact O-N 3.01Å; Q337-R459 CarbonylContact C-O 3.48Å; Q337-R459 WeakPolarHBondContact CA-O 3.38Å; Q337-R459 HydrophobicContact CB-CB 4.12Å; Q337-R459 HydrophobicContact CB-CG 4.38Å
338	N	92.8	Very high	94	Very high	58 Å²	58	20.4 Å²	20.4	31%	0.31	11%	0.11	S	C	.	.			trans	69.8	72.9	171.8	-170.8	36.1	0	0	0	114	R459	N338-R459 PolarHBondContact N-O 2.87Å
339	T	93.1	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.			trans	-76.9	141.3	173	71	0	0	0	0	111.3	F115 A119 D120 L341 F342 R343 L460	F115-T339 HydrophobicContact CD1-CG2 4.27Å; F115-T339 HydrophobicContact CE1-CG2 3.44Å; F115-T339 VanDerWaalsContact CE1-CG2 3.44Å; F115-T339 HydrophobicContact CZ-CG2 4.13Å; A119-T339 HydrophobicContact CB-CG2 4.07Å; A119-T339 WeakPolarHBondContact O-CG2 3.37Å; D120-T339 HydrophobicContact CB-CG2 4.33Å; D120-T339 WeakPolarHBondContact OD2-CA 3.46Å; T339-L341 VanDerWaalsContact C-N 3.32Å; T339-F342 WeakPolarHBondContact OG1-CB 3.4Å; T339-F342 VanDerWaalsContact OG1-CD2 3.29Å; T339-F342 WeakPolarHBondContact OG1-CD2 3.33Å; T339-F342 PolarHBondContact OG1-N 3.47Å; T339-F342 VanDerWaalsContact OG1-N 3.11Å; T339-R343 WeakPolarHBondContact O-CB 3.37Å; T339-L460 WeakPolarHBondContact CB-O 3.38Å; T339-L460 HydrophobicContact CG2-CD2 3.81Å; T339-L460 WeakPolarHBondContact CG2-O 3.49Å; T339-L460 PolarHBondContact N-O 3.09Å; T339-L460 PolarHBondContact OG1-O 3.49Å
340	G	95.8	Very high	95	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-43	166.2	0	0	0	0	0	112.2	F92 D120 R343 A344	F92-G340 WeakPolarHBondContact O-CA 3.33Å; D120-G340 VanDerWaalsContact CG-N 3.29Å; D120-G340 WeakPolarHBondContact OD1-CA 3.42Å; D120-G340 PolarHBondContact OD1-N 2.93Å; D120-G340 PolarHBondContact OD2-N 2.68Å; G340-R343 PolarHBondContact O-N 3.46Å; G340-A344 VanDerWaalsContact O-CB 3.24Å; G340-A344 WeakPolarHBondContact O-CB 3.11Å; G340-A344 PolarHBondContact O-N 3.34Å
341	L	97.5	Very high	95.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-52.1	-175.4	179.6	63.7	0	0	0	113.4	D120 F121 Y257 L258 L326 T339 R343 A344 F345	D120-L341 WeakPolarHBondContact OD1-CB 3.34Å; D120-L341 PolarHBondContact OD1-N 3.2Å; F121-L341 HydrophobicContact CD1-CD1 4Å; F121-L341 HydrophobicContact CD2-CB 4.4Å; F121-L341 HydrophobicContact CE1-CB 4.47Å; F121-L341 HydrophobicContact CE1-CD1 3.52Å; F121-L341 HydrophobicContact CE2-CB 4.26Å; F121-L341 HydrophobicContact CZ-CB 4.3Å; F121-L341 HydrophobicContact CZ-CD1 3.92Å; Y257-L341 HydrophobicContact CD1-CD1 4.1Å; Y257-L341 HydrophobicContact CE1-CD1 3.98Å; L258-L341 HydrophobicContact CD1-CD1 4.28Å; L258-L341 HydrophobicContact CD1-CD2 4.36Å; L326-L341 HydrophobicContact CD1-CD2 3.62Å; L326-L341 HydrophobicContact CD2-CD2 4.49Å; T339-L341 VanDerWaalsContact C-N 3.32Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-A344 PolarHBondContact O-N 3.44Å; L341-F345 WeakPolarHBondContact O-CB 3.36Å; L341-F345 PolarHBondContact O-N 3.31Å
342	F	97.7	Very high	95.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-33.1	-178	-77.9	-113	0	0	0	111.9	I254 L326 F327 T339 S346 L434 L457 L460	I254-F342 HydrophobicContact CD1-CD1 3.97Å; I254-F342 HydrophobicContact CD1-CE1 3.65Å; I254-F342 HydrophobicContact CD1-CZ 4.43Å; I254-F342 HydrophobicContact CG2-CE1 4.4Å; I254-F342 HydrophobicContact CG2-CZ 4.15Å; L326-F342 HydrophobicContact CD2-CE2 4.4Å; F327-F342 HydrophobicContact CD2-CE1 4.07Å; T339-F342 WeakPolarHBondContact OG1-CB 3.4Å; T339-F342 VanDerWaalsContact OG1-CD2 3.29Å; T339-F342 WeakPolarHBondContact OG1-CD2 3.33Å; T339-F342 PolarHBondContact OG1-N 3.47Å; T339-F342 VanDerWaalsContact OG1-N 3.11Å; F342-S346 PolarHBondContact O-N 3.24Å; F342-L434 HydrophobicContact CD1-CD2 3.93Å; F342-L457 HydrophobicContact CD1-CD1 4.5Å; F342-L457 HydrophobicContact CE1-CD1 4.06Å; F342-L460 HydrophobicContact CD1-CB 3.92Å; F342-L460 HydrophobicContact CD2-CB 4.02Å; F342-L460 HydrophobicContact CD2-CD2 4.16Å; F342-L460 HydrophobicContact CE1-CB 4.02Å; F342-L460 HydrophobicContact CE1-CD1 3.91Å; F342-L460 HydrophobicContact CE1-CG 4.48Å; F342-L460 HydrophobicContact CE2-CB 4.14Å; F342-L460 HydrophobicContact CE2-CD1 4.12Å; F342-L460 HydrophobicContact CE2-CD2 3.79Å; F342-L460 HydrophobicContact CE2-CG 4.25Å; F342-L460 HydrophobicContact CG-CB 3.93Å; F342-L460 HydrophobicContact CZ-CB 4.16Å; F342-L460 HydrophobicContact CZ-CD1 3.64Å; F342-L460 HydrophobicContact CZ-CD2 4.19Å; F342-L460 HydrophobicContact CZ-CG 4.22Å
343	R	97.3	Very high	96.2	Very high	27 Å²	27	17.3 Å²	17.3	10%	0.102	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-45.4	171.7	179.2	174.9	170.3	-108.6	-11.2	111.1	E45 T339 G340 L341 S346 Q347 D438 K517	E45-R343 IonicContact OE1-CZ 2.62Å; E45-R343 VanDerWaalsContact OE1-CZ 3.31Å; E45-R343 IonicContact OE1-NH1 2.65Å; E45-R343 PolarHBondContact OE1-NH1 3.37Å; E45-R343 IonicContact OE1-NH2 3.84Å; E45-R343 PolarHBondContact OE1-NH2 3.35Å; E45-R343 IonicContact OE2-CZ 3.14Å; E45-R343 IonicContact OE2-NH2 2.88Å; E45-R343 PolarHBondContact OE2-NH2 3.04Å; T339-R343 WeakPolarHBondContact O-CB 3.37Å; G340-R343 PolarHBondContact O-N 3.46Å; L341-R343 VanDerWaalsContact C-N 3.35Å; R343-S346 WeakPolarHBondContact O-CB 3.19Å; R343-S346 PolarHBondContact O-N 2.79Å; R343-Q347 WeakPolarHBondContact O-CG 3.49Å; R343-Q347 PolarHBondContact O-N 3.32Å; R343-D438 IonicContact CZ-OD2 3.32Å; R343-D438 IonicContact NE-OD1 3.41Å; R343-D438 IonicContact NE-OD2 3.77Å; R343-D438 PolarHBondContact NE-OD2 3.03Å; R343-D438 IonicContact NH2-OD2 3.82Å; R343-K517 VanDerWaalsContact NH2-NZ 3.14Å
344	A	98.3	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-42.2	176.7	0	0	0	0	0	111.5	H46 W80 F92 F121 Y257 G340 L341 S346 Q347 H348	H46-A344 PolarHBondContact CE1-O 3.32Å; H46-A344 VanDerWaalsContact CE1-O 3.25Å; W80-A344 HydrophobicContact CZ3-CB 4.03Å; F92-A344 HydrophobicContact CD1-CB 4.04Å; F92-A344 HydrophobicContact CE1-CB 3.65Å; F92-A344 HydrophobicContact CZ-CB 4.25Å; F121-A344 HydrophobicContact CE2-CB 4.39Å; F121-A344 HydrophobicContact CZ-CB 3.95Å; Y257-A344 HydrophobicContact CE1-CB 4.18Å; Y257-A344 WeakPolarHBondContact OH-CB 3.37Å; G340-A344 VanDerWaalsContact O-CB 3.24Å; G340-A344 WeakPolarHBondContact O-CB 3.11Å; G340-A344 PolarHBondContact O-N 3.34Å; L341-A344 PolarHBondContact O-N 3.44Å; A344-S346 PolarHBondContact O-N 2.99Å; A344-Q347 PolarHBondContact O-N 3.15Å; A344-H348 VanDerWaalsContact O-CB 3.29Å; A344-H348 WeakPolarHBondContact O-CB 3.21Å; A344-H348 PolarHBondContact O-N 3.06Å
345	F	98.7	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.4	-49.9	173.7	168.7	-102.8	0	0	0	111.8	F250 F253 I254 Y257 F293 L341 Q347 H348 V349 L434 F435	F250-F345 HydrophobicContact CD1-CE1 4.19Å; F250-F345 AromaticContact CD1-CZ 3.98Å; F250-F345 HydrophobicContact CD1-CZ 3.98Å; F250-F345 HydrophobicContact CE1-CZ 4.25Å; F253-F345 HydrophobicContact CB-CE2 3.95Å; F253-F345 HydrophobicContact CB-CZ 3.91Å; I254-F345 HydrophobicContact CD1-CD1 3.98Å; I254-F345 HydrophobicContact CD1-CE1 3.84Å; I254-F345 HydrophobicContact CD1-CZ 4.34Å; I254-F345 HydrophobicContact CG1-CD1 3.54Å; I254-F345 HydrophobicContact CG1-CD2 3.85Å; I254-F345 HydrophobicContact CG1-CE1 3.44Å; I254-F345 VanDerWaalsContact CG1-CE1 3.44Å; I254-F345 HydrophobicContact CG1-CE2 3.73Å; I254-F345 HydrophobicContact CG1-CG 3.74Å; I254-F345 HydrophobicContact CG1-CZ 3.53Å; Y257-F345 HydrophobicContact CD1-CB 3.68Å; Y257-F345 HydrophobicContact CD1-CD2 4.01Å; Y257-F345 HydrophobicContact CD1-CG 4.35Å; Y257-F345 HydrophobicContact CE1-CB 3.94Å; Y257-F345 HydrophobicContact CG-CB 4.32Å; Y257-F345 AromaticContact CG-CD2 3.84Å; Y257-F345 HydrophobicContact CG-CD2 3.84Å; F293-F345 HydrophobicContact CZ-CE2 4.12Å; L341-F345 WeakPolarHBondContact O-CB 3.36Å; L341-F345 PolarHBondContact O-N 3.31Å; F345-Q347 PolarHBondContact O-N 3.27Å; F345-H348 PolarHBondContact O-N 3.02Å; F345-V349 HydrophobicContact CD2-CG2 4.07Å; F345-V349 HydrophobicContact CE1-CG2 4.39Å; F345-V349 HydrophobicContact CE2-CG2 3.6Å; F345-V349 HydrophobicContact CZ-CG2 3.77Å; F345-V349 PolarHBondContact O-N 3.27Å; F345-L434 HydrophobicContact CE1-CD1 4.35Å; F345-F435 HydrophobicContact CE1-CE1 4.36Å; F345-F435 HydrophobicContact CE1-CZ 4.13Å
346	S	98.5	Very high	97.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-55.6	-51.1	177.3	-176.3	0	0	0	0	111.6	F342 R343 A344 H348 V349 L350 L434	F342-S346 PolarHBondContact O-N 3.24Å; R343-S346 WeakPolarHBondContact O-CB 3.19Å; R343-S346 PolarHBondContact O-N 2.79Å; A344-S346 PolarHBondContact O-N 2.99Å; S346-H348 VanDerWaalsContact C-N 3.33Å; S346-H348 PolarHBondContact O-N 2.91Å; S346-V349 PolarHBondContact O-N 2.85Å; S346-L350 WeakPolarHBondContact O-CB 3.4Å; S346-L350 WeakPolarHBondContact O-CD1 3.42Å; S346-L350 VanDerWaalsContact O-CG 3.23Å; S346-L350 WeakPolarHBondContact O-CG 3.38Å; S346-L350 PolarHBondContact O-N 3.37Å; S346-L434 WeakPolarHBondContact CB-O 3.32Å; S346-L434 PolarHBondContact OG-O 3.45Å
347	Q	98.5	Very high	97.2	Very high	36 Å²	36	28.8 Å²	28.8	17%	0.168	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-40.2	178.3	-69.3	174.7	-19.8	0	0	112.5	P43 E45 H46 R343 A344 F345 H351	P43-Q347 HydrophobicContact CG-CB 4.25Å; P43-Q347 WeakPolarHBondContact CG-O 3.46Å; E45-Q347 PolarHBondContact OE2-NE2 3Å; H46-Q347 PolarHBondContact NE2-OE1 2.95Å; R343-Q347 WeakPolarHBondContact O-CG 3.49Å; R343-Q347 PolarHBondContact O-N 3.32Å; A344-Q347 PolarHBondContact O-N 3.15Å; F345-Q347 PolarHBondContact O-N 3.27Å; Q347-H351 WeakPolarHBondContact O-CB 3.03Å; Q347-H351 PolarHBondContact O-N 2.86Å
348	H	98.8	Very high	97.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-53	179.3	-178.2	87.5	0	0	0	111	Y257 A344 F345 S346 H351 R352	Y257-H348 HydrophobicContact CD2-CB 4.2Å; Y257-H348 AromaticContact CD2-CD2 3.84Å; Y257-H348 AromaticContact CD2-CG 3.86Å; Y257-H348 HydrophobicContact CE2-CB 3.67Å; Y257-H348 AromaticContact CE2-CD2 3.98Å; Y257-H348 AromaticContact CE2-CG 3.51Å; Y257-H348 AromaticContact CE2-ND1 3.74Å; A344-H348 VanDerWaalsContact O-CB 3.29Å; A344-H348 WeakPolarHBondContact O-CB 3.21Å; A344-H348 PolarHBondContact O-N 3.06Å; F345-H348 PolarHBondContact O-N 3.02Å; S346-H348 VanDerWaalsContact C-N 3.33Å; S346-H348 PolarHBondContact O-N 2.91Å; H348-H351 PolarHBondContact O-N 3.06Å; H348-R352 WeakPolarHBondContact O-CG 3.46Å; H348-R352 PolarHBondContact O-N 3.01Å
349	V	98.8	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-48.4	-179.8	171.8	0	0	0	0	111	T289 A292 F293 F345 S346 H351 R352 L353 F435	T289-V349 HydrophobicContact CG2-CG1 4.26Å; A292-V349 HydrophobicContact CB-CG2 4.42Å; F293-V349 HydrophobicContact CE2-CG2 4.38Å; F293-V349 HydrophobicContact CZ-CG2 4.17Å; F345-V349 HydrophobicContact CD2-CG2 4.07Å; F345-V349 HydrophobicContact CE1-CG2 4.39Å; F345-V349 HydrophobicContact CE2-CG2 3.6Å; F345-V349 HydrophobicContact CZ-CG2 3.77Å; F345-V349 PolarHBondContact O-N 3.27Å; S346-V349 PolarHBondContact O-N 2.85Å; V349-H351 VanDerWaalsContact C-N 3.33Å; V349-H351 PolarHBondContact O-N 3.43Å; V349-R352 PolarHBondContact O-N 3.18Å; V349-L353 HydrophobicContact CG1-CD1 3.63Å; V349-L353 HydrophobicContact CG1-CG 4.28Å; V349-L353 WeakPolarHBondContact O-CB 3.27Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.37Å; V349-L353 PolarHBondContact O-N 2.87Å; V349-F435 HydrophobicContact CB-CE1 4.01Å; V349-F435 HydrophobicContact CG1-CE1 3.85Å; V349-F435 HydrophobicContact CG1-CZ 4.2Å
350	L	98.8	Very high	96.7	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-179.6	-69.1	165.9	0	0	0	112.2	S346 N354 I355 H417 F435	S346-L350 WeakPolarHBondContact O-CB 3.4Å; S346-L350 WeakPolarHBondContact O-CD1 3.42Å; S346-L350 VanDerWaalsContact O-CG 3.23Å; S346-L350 WeakPolarHBondContact O-CG 3.38Å; S346-L350 PolarHBondContact O-N 3.37Å; L350-N354 PolarHBondContact O-N 2.99Å; L350-I355 HydrophobicContact CB-CB 4.34Å; L350-I355 HydrophobicContact CD2-CB 3.66Å; L350-I355 HydrophobicContact CD2-CG1 4.12Å; L350-I355 HydrophobicContact CD2-CG2 3.63Å; L350-I355 PolarHBondContact O-N 2.78Å; L350-H417 WeakPolarHBondContact CD1-CE1 3.24Å; L350-H417 WeakPolarHBondContact CD1-ND1 3.46Å; L350-H417 HydrophobicContact CD2-CB 4.2Å; L350-F435 HydrophobicContact CD1-CD1 4.16Å; L350-F435 HydrophobicContact CD2-CB 4.32Å; L350-F435 HydrophobicContact CD2-CD1 4.01Å; L350-F435 HydrophobicContact CD2-CG 4.47Å; L350-F435 HydrophobicContact CG-CD1 3.88Å
351	H	98.5	Very high	96.3	Very high	71 Å²	71	33.1 Å²	33.1	33%	0.329	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-49.9	176.6	177	74.3	0	0	0	112	H41 L42 P43 Q347 H348 V349 L353 N354	H41-H351 AromaticContact CD2-CD2 3.89Å; H41-H351 AromaticContact CD2-NE2 3.31Å; H41-H351 PolarHBondContact CD2-NE2 3.46Å; H41-H351 VanDerWaalsContact CD2-NE2 3.31Å; H41-H351 AromaticContact NE2-NE2 3.78Å; L42-H351 VanDerWaalsContact C-NE2 3.32Å; L42-H351 PolarHBondContact O-NE2 3.12Å; P43-H351 HydrophobicContact CB-CB 4.42Å; P43-H351 HydrophobicContact CG-CB 3.7Å; Q347-H351 WeakPolarHBondContact O-CB 3.03Å; Q347-H351 PolarHBondContact O-N 2.86Å; H348-H351 PolarHBondContact O-N 3.06Å; V349-H351 VanDerWaalsContact C-N 3.33Å; V349-H351 PolarHBondContact O-N 3.43Å; H351-L353 VanDerWaalsContact C-N 3.31Å; H351-L353 PolarHBondContact O-N 3.34Å; H351-N354 PolarHBondContact O-N 3.49Å
352	R	98	Very high	95.5	Very high	18 Å²	18	41 Å²	41	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-68.1	-31.4	-176.5	-64.1	-76.6	-100.5	-151.2	-11	112.9	H41 F266 A292 H348 V349 N354	H41-R352 VanDerWaalsContact CG-NH1 3.33Å; H41-R352 PolarHBondContact ND1-NH1 3.1Å; H41-R352 VanDerWaalsContact ND1-NH1 3.18Å; H41-R352 WeakPolarHBondContact O-CD 3.48Å; H41-R352 PolarHBondContact O-NH1 2.93Å; F266-R352 PolarHBondContact O-NH2 3.2Å; A292-R352 HydrophobicContact CB-CB 3.81Å; A292-R352 HydrophobicContact CB-CG 4.39Å; A292-R352 PolarHBondContact O-NE 3.31Å; H348-R352 WeakPolarHBondContact O-CG 3.46Å; H348-R352 PolarHBondContact O-N 3.01Å; V349-R352 PolarHBondContact O-N 3.18Å; R352-N354 VanDerWaalsContact C-N 3.26Å
353	L	98.4	Very high	94.9	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.2	174.1	-59.9	-178.6	0	0	0	113.4	D288 N291 A292 V349 H351 I355 L410 L413	D288-L353 WeakPolarHBondContact O-CD2 3.28Å; N291-L353 HydrophobicContact CB-CD2 3.82Å; A292-L353 HydrophobicContact CB-CD2 4.44Å; A292-L353 HydrophobicContact CB-CG 4.48Å; V349-L353 HydrophobicContact CG1-CD1 3.63Å; V349-L353 HydrophobicContact CG1-CG 4.28Å; V349-L353 WeakPolarHBondContact O-CB 3.27Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.37Å; V349-L353 PolarHBondContact O-N 2.87Å; H351-L353 VanDerWaalsContact C-N 3.31Å; H351-L353 PolarHBondContact O-N 3.34Å; L353-I355 VanDerWaalsContact C-N 3.3Å; L353-I355 HydrophobicContact CB-CG1 3.98Å; L353-I355 PolarHBondContact O-N 2.88Å; L353-L410 HydrophobicContact CB-CD2 4.17Å; L353-L410 HydrophobicContact CD1-CD2 3.96Å; L353-L410 HydrophobicContact CD2-CD2 4.43Å; L353-L410 HydrophobicContact CG-CD2 4.42Å; L353-L413 HydrophobicContact CD1-CD1 3.78Å
354	N	97.9	Very high	94.7	Very high	128 Å²	128	46.5 Å²	46.5	68%	0.684	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	43.4	-179.9	-166	31.6	0	0	0	113.3	L350 H351 R352	L350-N354 PolarHBondContact O-N 2.99Å; H351-N354 PolarHBondContact O-N 3.49Å; R352-N354 VanDerWaalsContact C-N 3.26Å
355	I	98.4	Very high	94.7	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.051	25%	0.252	C	S	.	.			trans	-92.8	114	174.8	-53.2	-63	0	0	0	108.7	L350 L353 L410 L413 R414 H417	L350-I355 HydrophobicContact CB-CB 4.34Å; L350-I355 HydrophobicContact CD2-CB 3.66Å; L350-I355 HydrophobicContact CD2-CG1 4.12Å; L350-I355 HydrophobicContact CD2-CG2 3.63Å; L350-I355 PolarHBondContact O-N 2.78Å; L353-I355 VanDerWaalsContact C-N 3.3Å; L353-I355 HydrophobicContact CB-CG1 3.98Å; L353-I355 PolarHBondContact O-N 2.88Å; I355-L410 HydrophobicContact CD1-CB 4.37Å; I355-L410 HydrophobicContact CD1-CD2 4.4Å; I355-L413 HydrophobicContact CD1-CB 4.18Å; I355-L413 HydrophobicContact CG1-CB 4.15Å; I355-L413 HydrophobicContact CG1-CD1 4.36Å; I355-L413 HydrophobicContact CG2-CB 4.36Å; I355-R414 HydrophobicContact CD1-CG 3.89Å; I355-R414 HydrophobicContact CG2-CG 4.22Å; I355-H417 HydrophobicContact CG2-CB 4.06Å
356	T	96.2	Very high	94.7	Very high	86 Å²	86	47 Å²	47	53%	0.528	25%	0.253	S	S	.	.			trans	-92.1	142.8	-174.6	54.5	0	0	0	0	112.6	N418	T356-N418 PolarHBondContact O-ND2 3.33Å
357	Q	94.2	Very high	94.7	Very high	57 Å²	57	46.9 Å²	46.9	27%	0.266	25%	0.252	S	S	.	.			trans	-93.7	124.6	170.6	-152	-73.5	-48.4	0	0	109.5	G359 H417 W439	Q357-G359 VanDerWaalsContact C-N 3.29Å; Q357-G359 VanDerWaalsContact NE2-N 3.12Å; Q357-G359 PolarHBondContact NE2-O 3.29Å; Q357-G359 PolarHBondContact O-N 3.18Å; Q357-H417 VanDerWaalsContact CB-NE2 3.26Å; Q357-H417 WeakPolarHBondContact CB-NE2 3.36Å; Q357-H417 WeakPolarHBondContact CG-NE2 3.34Å; Q357-W439 VanDerWaalsContact CD-CH2 3.45Å; Q357-W439 HydrophobicContact CG-CH2 4.32Å; Q357-W439 VanDerWaalsContact NE2-CZ2 3.32Å
358	E	93.4	Very high	94.7	Very high	130 Å²	130	45.2 Å²	45.2	61%	0.607	24%	0.244	S	C	*	.			trans	-87	11	-175.1	-62.6	-177.7	170.9	0	0	114.6	N418	E358-N418 WeakPolarHBondContact CB-OD1 3.42Å; E358-N418 WeakPolarHBondContact CG-OD1 3.48Å; E358-N418 PolarHBondContact N-OD1 3.13Å
359	G	90	Very high	94.7	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	25%	0.245	C	C	.	.			trans	74.6	177.1	-169.8	0	0	0	0	0	113.7	Q357 R366	Q357-G359 VanDerWaalsContact C-N 3.29Å; Q357-G359 VanDerWaalsContact NE2-N 3.12Å; Q357-G359 PolarHBondContact NE2-O 3.29Å; Q357-G359 PolarHBondContact O-N 3.18Å; G359-R366 PolarHBondContact O-NH1 3.48Å; G359-R366 PolarHBondContact O-NH2 3.43Å
360	P	88	Confident	94.6	Very high	26 Å²	26	45.8 Å²	45.8	17%	0.169	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59	137	154	-25	38	0	0	0	111.1	W439 W518 F520	P360-W439 HydrophobicContact CG-CH2 4.21Å; P360-W439 HydrophobicContact CG-CZ2 4.15Å; P360-W518 HydrophobicContact CB-CD2 3.86Å; P360-W518 HydrophobicContact CB-CE3 3.49Å; P360-W518 VanDerWaalsContact CB-CE3 3.49Å; P360-W518 HydrophobicContact CB-CH2 3.62Å; P360-W518 HydrophobicContact CB-CZ2 3.96Å; P360-W518 HydrophobicContact CB-CZ3 3.36Å; P360-W518 HydrophobicContact CG-CD2 4.03Å; P360-W518 HydrophobicContact CG-CE3 3.48Å; P360-W518 VanDerWaalsContact CG-CE3 3.48Å; P360-W518 HydrophobicContact CG-CH2 4.47Å; P360-W518 HydrophobicContact CG-CZ3 3.73Å; P360-F520 VanDerWaalsContact CD-CD2 3.43Å; P360-F520 HydrophobicContact CG-CD2 4.12Å; P360-F520 HydrophobicContact CG-CE2 4.48Å
361	K	85.6	Confident	94.5	Very high	71 Å²	71	46.1 Å²	46.1	31%	0.309	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-82.6	139	169.5	-71.2	-171.6	178.2	-179.5	0	109.8	G363 K364 R366 E396	K361-G363 PolarHBondContact O-N 3.49Å; K361-K364 HydrophobicContact CB-CB 3.86Å; K361-K364 PolarHBondContact O-N 2.89Å; K361-R366 HydrophobicContact CD-CG 4.22Å; K361-E396 VanDerWaalsContact CD-OE2 3.29Å; K361-E396 WeakPolarHBondContact CD-OE2 3.2Å; K361-E396 IonicContact NZ-OE1 2.81Å; K361-E396 PolarHBondContact NZ-OE1 3.44Å; K361-E396 IonicContact NZ-OE2 2.77Å; K361-E396 PolarHBondContact NZ-OE2 3.4Å
362	D	82.4	Confident	94.2	Very high	166 Å²	166	45 Å²	45	89%	0.888	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	122.5	-178.7	-167.8	17.5	0	0	0	111.1	K364	D362-K364 PolarHBondContact O-N 2.97Å; D362-K364 VanDerWaalsContact O-N 3.12Å
363	G	83.8	Confident	93.7	Very high	56 Å²	56	47.7 Å²	47.7	58%	0.577	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	13.9	-178.6	0	0	0	0	0	115.9	K361	K361-G363 PolarHBondContact O-N 3.49Å
364	K	94.1	Very high	93.2	Very high	86 Å²	86	50 Å²	50	37%	0.374	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-131.7	143.7	-175.6	-64.8	-67.2	-179.1	173.8	0	112.5	K361 D362 P393 T394 W518	K361-K364 HydrophobicContact CB-CB 3.86Å; K361-K364 PolarHBondContact O-N 2.89Å; D362-K364 PolarHBondContact O-N 2.97Å; D362-K364 VanDerWaalsContact O-N 3.12Å; K364-P393 PolarHBondContact NZ-O 3Å; K364-T394 CarbonylContact C-O 3.57Å; K364-T394 VanDerWaalsContact CA-O 3.31Å; K364-T394 WeakPolarHBondContact CA-O 3.14Å; K364-W518 WeakPolarHBondContact O-CZ2 3.07Å
365	I	97.3	Very high	92.8	Very high	4 Å²	4	51 Å²	51	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.9	174.4	-62	174.4	0	0	0	107.6	V367 T394 F395 E396 D420 I421 A509 L513 W518	I365-V367 HydrophobicContact CG2-CG2 4.25Å; I365-V367 PolarHBondContact O-N 2.78Å; I365-T394 PolarHBondContact N-O 2.91Å; I365-F395 HydrophobicContact CB-CD1 4.05Å; I365-F395 HydrophobicContact CB-CE1 4.35Å; I365-F395 HydrophobicContact CD1-CE1 4.13Å; I365-F395 HydrophobicContact CG2-CD1 4.41Å; I365-F395 HydrophobicContact CG2-CE1 4.45Å; I365-F395 WeakPolarHBondContact O-CA 3.05Å; I365-E396 PolarHBondContact O-N 2.62Å; I365-D420 HydrophobicContact CG2-CB 3.85Å; I365-I421 HydrophobicContact CG2-CD1 3.73Å; I365-I421 HydrophobicContact CG2-CG1 3.91Å; I365-A509 HydrophobicContact CD1-CB 3.74Å; I365-L513 HydrophobicContact CD1-CD1 4.25Å; I365-L513 HydrophobicContact CD1-CD2 3.97Å; I365-L513 HydrophobicContact CD1-CG 3.92Å; I365-L513 HydrophobicContact CG1-CD2 4.38Å; I365-W518 HydrophobicContact CG1-CZ2 4.3Å
366	R	98.3	Very high	92.6	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.2	179	-62.7	164.9	-65.1	-172	-2.2	109.3	G359 K361 N418 D420 I421	G359-R366 PolarHBondContact O-NH1 3.48Å; G359-R366 PolarHBondContact O-NH2 3.43Å; K361-R366 HydrophobicContact CD-CG 4.22Å; R366-N418 WeakPolarHBondContact CD-O 3.19Å; R366-N418 PolarHBondContact NE-O 3.05Å; R366-N418 VanDerWaalsContact NE-O 3.1Å; R366-N418 PolarHBondContact NH1-OD1 3.27Å; R366-N418 VanDerWaalsContact NH1-OD1 3.15Å; R366-D420 WeakPolarHBondContact CB-OD2 3.45Å; R366-D420 IonicContact CZ-OD1 3.66Å; R366-D420 IonicContact CZ-OD2 3.73Å; R366-D420 PolarHBondContact N-OD2 3.05Å; R366-D420 IonicContact NE-OD1 3.59Å; R366-D420 IonicContact NE-OD2 2.95Å; R366-D420 PolarHBondContact NE-OD2 2.73Å; R366-D420 IonicContact NH2-OD1 2.86Å; R366-D420 PolarHBondContact NH2-OD1 3.04Å; R366-D420 IonicContact NH2-OD2 3.6Å; R366-D420 PolarHBondContact O-N 3.12Å; R366-I421 PolarHBondContact O-N 2.88Å
367	V	98.8	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.5	179.7	-173.1	0	0	0	0	108.5	I365 L389 F395 E396 V397 Q398 I421 I423	I365-V367 HydrophobicContact CG2-CG2 4.25Å; I365-V367 PolarHBondContact O-N 2.78Å; V367-L389 HydrophobicContact CG1-CD1 4.06Å; V367-F395 HydrophobicContact CG2-CB 4.06Å; V367-F395 HydrophobicContact CG2-CD1 4.04Å; V367-F395 HydrophobicContact CG2-CD2 4.18Å; V367-F395 HydrophobicContact CG2-CG 3.84Å; V367-E396 PolarHBondContact N-O 3.19Å; V367-V397 HydrophobicContact CB-CG2 4.48Å; V367-V397 WeakPolarHBondContact O-CA 3.34Å; V367-Q398 PolarHBondContact O-N 3.49Å; V367-I421 WeakPolarHBondContact CA-O 3.19Å; V367-I421 HydrophobicContact CG1-CB 4.29Å; V367-I421 HydrophobicContact CG1-CG2 4.41Å; V367-I421 HydrophobicContact CG2-CB 4.26Å; V367-I421 HydrophobicContact CG2-CD1 4.18Å; V367-I423 HydrophobicContact CG1-CD1 3.66Å; V367-I423 HydrophobicContact CG1-CG1 4.3Å
368	T	98.8	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.4	-179.7	-59.4	0	0	0	0	109.4	Q398 V400 I415 T419 I421 F422 I423	T368-Q398 WeakPolarHBondContact CA-O 3.46Å; T368-Q398 HydrophobicContact CG2-CG 4.1Å; T368-Q398 WeakPolarHBondContact OG1-CG 3.4Å; T368-Q398 PolarHBondContact OG1-NE2 2.66Å; T368-V400 HydrophobicContact CG2-CB 4.47Å; T368-V400 HydrophobicContact CG2-CG1 4.12Å; T368-V400 HydrophobicContact CG2-CG2 3.53Å; T368-I415 HydrophobicContact CG2-CG2 4.14Å; T368-T419 WeakPolarHBondContact CB-OG1 3.47Å; T368-T419 WeakPolarHBondContact OG1-CG2 3.21Å; T368-T419 PolarHBondContact OG1-OG1 3.11Å; T368-I421 PolarHBondContact N-O 3.05Å; T368-F422 HydrophobicContact CG2-CD2 4.01Å; T368-F422 HydrophobicContact CG2-CE2 3.97Å; T368-I423 PolarHBondContact O-N 3.3Å
369	I	98.7	Very high	92.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.5	173.9	-53.8	175	0	0	0	108.9	A371 I379 V386 L389 V397 Q398 I399 V400 I423	I369-A371 PolarHBondContact O-N 2.65Å; I369-I379 HydrophobicContact CG2-CD1 4.23Å; I369-V386 HydrophobicContact CD1-CG2 3.5Å; I369-V386 VanDerWaalsContact CD1-CG2 3.5Å; I369-L389 HydrophobicContact CD1-CD1 3.51Å; I369-L389 HydrophobicContact CG1-CD1 4.19Å; I369-V397 HydrophobicContact CD1-CG1 4.42Å; I369-Q398 PolarHBondContact N-O 2.8Å; I369-I399 WeakPolarHBondContact O-CA 3.46Å; I369-V400 PolarHBondContact O-N 3.4Å; I369-I423 CarbonylContact C-O 3.37Å; I369-I423 WeakPolarHBondContact CA-O 3.2Å; I369-I423 HydrophobicContact CG1-CB 4.31Å; I369-I423 HydrophobicContact CG1-CD1 4.42Å
370	L	98.1	Very high	93.2	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	101.6	172.1	-178.5	65.6	0	0	0	109.7	V400 Y402 F422 I423	L370-V400 HydrophobicContact CD1-CG2 4.16Å; L370-Y402 HydrophobicContact CD1-CD1 4.28Å; L370-Y402 HydrophobicContact CD1-CD2 3.67Å; L370-Y402 HydrophobicContact CD1-CE2 4.24Å; L370-Y402 HydrophobicContact CD1-CG 3.72Å; L370-F422 HydrophobicContact CB-CE2 4.34Å; L370-F422 HydrophobicContact CB-CZ 3.91Å; L370-F422 HydrophobicContact CD2-CE1 4.39Å; L370-F422 HydrophobicContact CD2-CZ 4.06Å; L370-F422 HydrophobicContact CG-CZ 4.41Å; L370-I423 PolarHBondContact N-O 3.24Å
371	A	95.5	Very high	93.6	Very high	13 Å²	13	51.1 Å²	51.1	11%	0.107	27%	0.267	C	S	.	.			trans	-72.6	164.8	168.9	0	0	0	0	0	110.9	I369 I399 V400	I369-A371 PolarHBondContact O-N 2.65Å; A371-I399 HydrophobicContact CB-CG2 3.74Å; A371-V400 PolarHBondContact N-O 3.48Å
372	R	91.6	Very high	94.2	Very high	49 Å²	49	49.8 Å²	49.8	19%	0.185	26%	0.262	C	S	.	.			trans	-133.1	119.5	-179.5	-66.9	-179.3	63.5	120.9	2.4	111.8	T374 R377 H426	R372-T374 VanDerWaalsContact C-N 3.31Å; R372-T374 PolarHBondContact NE-OG1 3.09Å; R372-T374 PolarHBondContact NH2-OG1 3.21Å; R372-T374 PolarHBondContact O-N 3.32Å; R372-R377 WeakPolarHBondContact CD-O 2.99Å; R372-H426 PolarHBondContact NH1-O 2.96Å
373	S	88.1	Confident	95	Very high	74 Å²	74	47.5 Å²	47.5	52%	0.517	25%	0.249	S	C	.	.			trans	-93.7	43.1	167	-71	0	0	0	0	113	D401	S373-D401 WeakPolarHBondContact CB-OD2 3.36Å; S373-D401 PolarHBondContact N-OD2 3.36Å; S373-D401 PolarHBondContact OG-OD2 3.46Å
374	T	88.6	Confident	95.6	Very high	64 Å²	64	50.1 Å²	50.1	39%	0.393	25%	0.247	S	C	.	.	S	Bend	trans	-109.1	164.2	174.7	57.1	0	0	0	0	111.2	R372 Y376 K378	R372-T374 VanDerWaalsContact C-N 3.31Å; R372-T374 PolarHBondContact NE-OG1 3.09Å; R372-T374 PolarHBondContact NH2-OG1 3.21Å; R372-T374 PolarHBondContact O-N 3.32Å; T374-Y376 VanDerWaalsContact C-N 3.3Å; T374-Y376 PolarHBondContact O-N 2.77Å; T374-Y376 PolarHBondContact OG1-O 3.02Å; T374-K378 WeakPolarHBondContact O-CE 3.23Å
375	E	89.6	Confident	95.9	Very high	148 Å²	148	46.2 Å²	46.2	69%	0.692	23%	0.23	S	C	*	.	S	Bend	trans	-60.4	-37.6	179.8	-66.1	-174	152.6	0	0	113.7	N493	E375-N493 PolarHBondContact O-OD1 2.8Å
376	Y	93.4	Very high	95.9	Very high	71 Å²	71	46.2 Å²	46.2	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	-119.1	167.5	-175.1	-51.6	-69.1	0	0	0	112.7	T374 K378 K490 F491 N493	T374-Y376 VanDerWaalsContact C-N 3.3Å; T374-Y376 PolarHBondContact O-N 2.77Å; T374-Y376 PolarHBondContact OG1-O 3.02Å; Y376-K378 PolarHBondContact O-N 2.79Å; Y376-K490 WeakPolarHBondContact CB-O 3.02Å; Y376-F491 HydrophobicContact CD1-CB 4.35Å; Y376-F491 WeakPolarHBondContact CD1-O 3.14Å; Y376-F491 AromaticContact CD2-CD1 3.81Å; Y376-F491 HydrophobicContact CD2-CD1 3.81Å; Y376-F491 HydrophobicContact CD2-CE1 4.43Å; Y376-F491 HydrophobicContact CD2-CG 4.45Å; Y376-F491 HydrophobicContact CE1-CB 4.39Å; Y376-F491 VanDerWaalsContact CE1-O 3.29Å; Y376-F491 WeakPolarHBondContact CE1-O 3.46Å; Y376-F491 AromaticContact CE2-CD1 3.6Å; Y376-F491 HydrophobicContact CE2-CD1 3.6Å; Y376-F491 HydrophobicContact CE2-CE1 4.25Å; Y376-F491 HydrophobicContact CE2-CG 4.5Å; Y376-F491 HydrophobicContact CG-CB 4.4Å; Y376-F491 HydrophobicContact CG-CD1 4.49Å; Y376-N493 VanDerWaalsContact C-OD1 3.29Å; Y376-N493 WeakPolarHBondContact CA-OD1 3.37Å
377	R	94.6	Very high	95.9	Very high	46 Å²	46	50.6 Å²	50.6	17%	0.174	25%	0.254	C	S	.	.	S	Bend	trans	57.9	30.6	-178.5	-67.1	172	-76.4	175.7	-9.3	113.3	R372 M425 H426 K490 T492 N493	R372-R377 WeakPolarHBondContact CD-O 2.99Å; R377-M425 HydrophobicContact CB-CB 4.41Å; R377-M425 HydrophobicContact CB-CE 4.03Å; R377-M425 HydrophobicContact CG-CE 4.28Å; R377-M425 WeakPolarHBondContact O-CG 3.41Å; R377-H426 WeakPolarHBondContact CD-O 3.49Å; R377-H426 PolarHBondContact NH1-O 3.49Å; R377-K490 PolarHBondContact NE-O 3Å; R377-T492 WeakPolarHBondContact CA-O 3.17Å; R377-T492 PolarHBondContact N-O 2.91Å; R377-N493 PolarHBondContact N-OD1 3.25Å; R377-N493 VanDerWaalsContact N-OD1 3.11Å
378	K	96.2	Very high	95.9	Very high	88 Å²	88	51.3 Å²	51.3	38%	0.383	26%	0.26	S	S	.	.			trans	-71.5	149.9	169	-60.7	-173.1	-176.1	-177.5	0	110.7	T374 Y376 N493 Y494	T374-K378 WeakPolarHBondContact O-CE 3.23Å; Y376-K378 PolarHBondContact O-N 2.79Å; K378-N493 HydrophobicContact CB-CB 4.28Å; K378-N493 WeakPolarHBondContact CB-OD1 3.4Å; K378-N493 WeakPolarHBondContact CG-OD1 3.22Å; K378-N493 PolarHBondContact N-OD1 2.88Å; K378-Y494 PolarHBondContact O-N 2.96Å
379	I	97.4	Very high	95.9	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.072	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-89.7	101.8	172.3	-53.5	167.6	0	0	0	107.5	I369 Q382 L385 M425 L445 Y494 F496	I369-I379 HydrophobicContact CG2-CD1 4.23Å; I379-Q382 HydrophobicContact CB-CB 4.12Å; I379-Q382 HydrophobicContact CG2-CB 3.9Å; I379-Q382 PolarHBondContact O-N 3.07Å; I379-L385 HydrophobicContact CG2-CD1 3.81Å; I379-M425 HydrophobicContact CD1-CG 4.23Å; I379-M425 HydrophobicContact CG1-CG 3.66Å; I379-M425 HydrophobicContact CG1-SD 4.48Å; I379-L445 HydrophobicContact CD1-CD1 3.44Å; I379-L445 VanDerWaalsContact CD1-CD1 3.44Å; I379-L445 HydrophobicContact CG1-CD1 3.93Å; I379-Y494 CarbonylContact C-O 3.59Å; I379-F496 HydrophobicContact CG1-CE2 4.36Å; I379-F496 HydrophobicContact CG2-CD2 4.02Å; I379-F496 HydrophobicContact CG2-CE2 4.11Å
380	L	97.8	Very high	95.9	Very high	87 Å²	87	57.3 Å²	57.3	46%	0.455	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.4	-172.8	-65.9	179.3	0	0	0	112.7	Q477 N493 Y494	L380-Q477 HydrophobicContact CD1-CB 3.95Å; L380-Q477 HydrophobicContact CD1-CG 4.14Å; L380-N493 HydrophobicContact CD1-CB 4.23Å; L380-N493 HydrophobicContact CD2-CB 3.85Å; L380-N493 HydrophobicContact CG-CB 3.97Å; L380-Y494 PolarHBondContact N-O 3.18Å
381	N	97.9	Very high	95.9	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.091	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	33.5	178.8	70.4	-36.8	0	0	0	113.3	N383 E384 L385 S495 F496	N381-N383 VanDerWaalsContact C-N 3.25Å; N381-N383 PolarHBondContact O-N 2.75Å; N381-N383 VanDerWaalsContact O-N 3.16Å; N381-E384 HydrophobicContact CB-CB 4.34Å; N381-E384 HydrophobicContact CB-CG 4.31Å; N381-E384 WeakPolarHBondContact CB-OE2 3.36Å; N381-E384 PolarHBondContact ND2-OE2 2.86Å; N381-E384 WeakPolarHBondContact O-CB 3.48Å; N381-E384 PolarHBondContact O-N 3.14Å; N381-L385 PolarHBondContact O-N 3.27Å; N381-S495 VanDerWaalsContact OD1-CA 3.28Å; N381-S495 WeakPolarHBondContact OD1-CA 3.29Å; N381-S495 WeakPolarHBondContact OD1-CB 3.32Å; N381-F496 PolarHBondContact ND2-O 2.83Å; N381-F496 PolarHBondContact OD1-N 2.77Å
382	Q	97.8	Very high	96	Very high	43 Å²	43	62.5 Å²	62.5	20%	0.201	32%	0.317	C	S	.	.	H	α-helix	trans	-51.9	-41.4	-177.7	-173.9	-179.6	-73	0	0	113.2	I379 E384 L385 V386	I379-Q382 HydrophobicContact CB-CB 4.12Å; I379-Q382 HydrophobicContact CG2-CB 3.9Å; I379-Q382 PolarHBondContact O-N 3.07Å; Q382-E384 VanDerWaalsContact C-N 3.3Å; Q382-E384 PolarHBondContact O-N 2.98Å; Q382-L385 PolarHBondContact O-N 3.24Å; Q382-V386 HydrophobicContact CG-CG2 4.22Å; Q382-V386 WeakPolarHBondContact O-CB 3.37Å; Q382-V386 WeakPolarHBondContact O-CG2 3.49Å; Q382-V386 PolarHBondContact O-N 3.03Å
383	N	97.8	Very high	96.2	Very high	118 Å²	118	65.3 Å²	65.3	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-63.6	-36.2	-179.9	-70.3	-21.9	0	0	0	112.3	N381 N387	N381-N383 VanDerWaalsContact C-N 3.25Å; N381-N383 PolarHBondContact O-N 2.75Å; N381-N383 VanDerWaalsContact O-N 3.16Å; N383-N387 VanDerWaalsContact O-CB 3.27Å; N383-N387 WeakPolarHBondContact O-CB 3.28Å; N383-N387 PolarHBondContact O-N 3.14Å; N383-N387 PolarHBondContact O-ND2 3.2Å; N383-N387 VanDerWaalsContact O-ND2 3.16Å
384	E	98.4	Very high	96.5	Very high	112 Å²	112	64.8 Å²	64.8	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-47	177	-64.1	172.9	-168.2	0	0	110.7	N381 Q382 V386 N387 A388 V498	N381-E384 HydrophobicContact CB-CB 4.34Å; N381-E384 HydrophobicContact CB-CG 4.31Å; N381-E384 WeakPolarHBondContact CB-OE2 3.36Å; N381-E384 PolarHBondContact ND2-OE2 2.86Å; N381-E384 WeakPolarHBondContact O-CB 3.48Å; N381-E384 PolarHBondContact O-N 3.14Å; Q382-E384 VanDerWaalsContact C-N 3.3Å; Q382-E384 PolarHBondContact O-N 2.98Å; E384-V386 PolarHBondContact O-N 3.15Å; E384-N387 PolarHBondContact O-N 2.97Å; E384-A388 WeakPolarHBondContact O-CB 3.27Å; E384-A388 PolarHBondContact O-N 2.72Å; E384-V498 HydrophobicContact CB-CG2 4.19Å
385	L	98.4	Very high	97	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-45.6	177.7	-56	-178.6	0	0	0	111.6	I379 N381 Q382 N387 A388 L389 F496 V498 F501	I379-L385 HydrophobicContact CG2-CD1 3.81Å; N381-L385 PolarHBondContact O-N 3.27Å; Q382-L385 PolarHBondContact O-N 3.24Å; L385-N387 PolarHBondContact O-N 2.73Å; L385-A388 PolarHBondContact O-N 2.93Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 2.89Å; L385-F496 HydrophobicContact CD1-CB 4.27Å; L385-F496 HydrophobicContact CD1-CD2 4.18Å; L385-F496 HydrophobicContact CD2-CB 4.35Å; L385-V498 HydrophobicContact CD2-CG2 4.11Å; L385-F501 HydrophobicContact CB-CD1 4.17Å; L385-F501 HydrophobicContact CB-CE1 3.84Å; L385-F501 HydrophobicContact CB-CZ 4.12Å; L385-F501 HydrophobicContact CD1-CD2 4.37Å; L385-F501 HydrophobicContact CD1-CE2 4.37Å; L385-F501 HydrophobicContact CD2-CB 4Å; L385-F501 HydrophobicContact CD2-CD1 3.77Å; L385-F501 HydrophobicContact CD2-CD2 4.31Å; L385-F501 HydrophobicContact CD2-CE1 4.3Å; L385-F501 HydrophobicContact CD2-CG 3.76Å; L385-F501 HydrophobicContact CG-CD1 4.45Å
386	V	98.3	Very high	97.4	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-43.7	178.1	170.9	0	0	0	0	111.4	I369 Q382 E384 A388 L389 K390 V397 I399	I369-V386 HydrophobicContact CD1-CG2 3.5Å; I369-V386 VanDerWaalsContact CD1-CG2 3.5Å; Q382-V386 HydrophobicContact CG-CG2 4.22Å; Q382-V386 WeakPolarHBondContact O-CB 3.37Å; Q382-V386 WeakPolarHBondContact O-CG2 3.49Å; Q382-V386 PolarHBondContact O-N 3.03Å; E384-V386 PolarHBondContact O-N 3.15Å; V386-A388 VanDerWaalsContact C-N 3.31Å; V386-A388 PolarHBondContact O-N 2.82Å; V386-L389 PolarHBondContact O-N 2.74Å; V386-K390 HydrophobicContact CG1-CD 4.14Å; V386-K390 WeakPolarHBondContact O-CG 3.44Å; V386-K390 PolarHBondContact O-N 2.81Å; V386-V397 HydrophobicContact CG1-CG1 4.37Å; V386-I399 HydrophobicContact CB-CD1 4.42Å; V386-I399 HydrophobicContact CG1-CD1 4.19Å; V386-I399 HydrophobicContact CG2-CD1 3.53Å; V386-I399 HydrophobicContact CG2-CG1 3.86Å
387	N	98.4	Very high	97.6	Very high	99 Å²	99	57.5 Å²	57.5	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-39.1	178.2	-73.1	-19.7	0	0	0	111.2	N383 E384 L385 K390 T391	N383-N387 VanDerWaalsContact O-CB 3.27Å; N383-N387 WeakPolarHBondContact O-CB 3.28Å; N383-N387 PolarHBondContact O-N 3.14Å; N383-N387 PolarHBondContact O-ND2 3.2Å; N383-N387 VanDerWaalsContact O-ND2 3.16Å; E384-N387 PolarHBondContact O-N 2.97Å; L385-N387 PolarHBondContact O-N 2.73Å; N387-K390 PolarHBondContact O-N 2.98Å; N387-T391 WeakPolarHBondContact O-CG2 3.45Å; N387-T391 PolarHBondContact O-N 2.76Å
388	A	98.5	Very high	97.8	Very high	15 Å²	15	58.8 Å²	58.8	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-44.8	174.4	0	0	0	0	0	111.9	E384 L385 V386 K390 T391 V498 M502	E384-A388 WeakPolarHBondContact O-CB 3.27Å; E384-A388 PolarHBondContact O-N 2.72Å; L385-A388 PolarHBondContact O-N 2.93Å; V386-A388 VanDerWaalsContact C-N 3.31Å; V386-A388 PolarHBondContact O-N 2.82Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 2.72Å; A388-T391 WeakPolarHBondContact O-CB 3.27Å; A388-T391 PolarHBondContact O-N 3.49Å; A388-T391 VanDerWaalsContact O-N 3.12Å; A388-T391 PolarHBondContact O-OG1 3.15Å; A388-V498 HydrophobicContact CB-CG1 3.57Å; A388-M502 VanDerWaalsContact C-SD 3.57Å; A388-M502 HydrophobicContact CB-CG 3.78Å; A388-M502 HydrophobicContact CB-SD 3.65Å
389	L	98.6	Very high	97.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-41.4	175.9	-68.2	169.4	0	0	0	112.5	V367 I369 L385 V386 T391 V392 F395 V397 I423 F501 M502 V505	V367-L389 HydrophobicContact CG1-CD1 4.06Å; I369-L389 HydrophobicContact CD1-CD1 3.51Å; I369-L389 HydrophobicContact CG1-CD1 4.19Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 2.89Å; V386-L389 PolarHBondContact O-N 2.74Å; L389-T391 PolarHBondContact O-N 3.05Å; L389-T391 VanDerWaalsContact O-N 3.15Å; L389-V392 PolarHBondContact O-N 3.31Å; L389-F395 HydrophobicContact CB-CD2 4.44Å; L389-F395 HydrophobicContact CD2-CD2 3.95Å; L389-F395 HydrophobicContact CD2-CE2 3.98Å; L389-V397 HydrophobicContact CB-CG1 4.2Å; L389-V397 HydrophobicContact CB-CG2 3.58Å; L389-V397 HydrophobicContact CD1-CG1 3.93Å; L389-I423 HydrophobicContact CD1-CD1 4.41Å; L389-F501 HydrophobicContact CD1-CE1 4.02Å; L389-F501 HydrophobicContact CD1-CZ 3.96Å; L389-F501 HydrophobicContact CD2-CE1 3.82Å; L389-F501 HydrophobicContact CD2-CZ 4.2Å; L389-F501 HydrophobicContact CG-CE1 3.75Å; L389-F501 HydrophobicContact CG-CZ 4.19Å; L389-M502 HydrophobicContact CD2-CE 4.34Å; L389-M502 HydrophobicContact CD2-SD 3.8Å; L389-M502 HydrophobicContact CG-SD 4.17Å; L389-V505 HydrophobicContact CD2-CB 4.17Å; L389-V505 HydrophobicContact CD2-CG1 3.64Å; L389-V505 HydrophobicContact CD2-CG2 4.2Å
390	K	98.1	Very high	97.9	Very high	130 Å²	130	58 Å²	58	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-65.5	-13.7	179.3	-73.3	175.4	178	177.7	0	113.6	V386 N387 A388 V392 V397	V386-K390 HydrophobicContact CG1-CD 4.14Å; V386-K390 WeakPolarHBondContact O-CG 3.44Å; V386-K390 PolarHBondContact O-N 2.81Å; N387-K390 PolarHBondContact O-N 2.98Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 2.72Å; K390-V392 PolarHBondContact O-N 3.29Å; K390-V397 HydrophobicContact CG-CB 4.28Å; K390-V397 HydrophobicContact CG-CG2 4.23Å
391	T	98	Very high	97.8	Very high	104 Å²	104	56 Å²	56	64%	0.638	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19	172.4	70.8	0	0	0	0	112.9	N387 A388 L389 P393	N387-T391 WeakPolarHBondContact O-CG2 3.45Å; N387-T391 PolarHBondContact O-N 2.76Å; A388-T391 WeakPolarHBondContact O-CB 3.27Å; A388-T391 PolarHBondContact O-N 3.49Å; A388-T391 VanDerWaalsContact O-N 3.12Å; A388-T391 PolarHBondContact O-OG1 3.15Å; L389-T391 PolarHBondContact O-N 3.05Å; L389-T391 VanDerWaalsContact O-N 3.15Å; T391-P393 WeakPolarHBondContact O-CD 3.16Å
392	V	98	Very high	97.7	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.152	30%	0.299	C	S	.	.	S	Bend	trans	-89.2	111.9	179.5	-178.1	0	0	0	0	109.3	L389 K390 T394 F395 M502	L389-V392 PolarHBondContact O-N 3.31Å; K390-V392 PolarHBondContact O-N 3.29Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.09Å; V392-T394 PolarHBondContact O-N 2.92Å; V392-T394 VanDerWaalsContact O-N 3.11Å; V392-F395 HydrophobicContact CB-CB 4.36Å; V392-F395 HydrophobicContact CB-CD2 3.59Å; V392-F395 HydrophobicContact CB-CE2 3.97Å; V392-F395 HydrophobicContact CB-CG 3.92Å; V392-F395 HydrophobicContact CG1-CD1 4Å; V392-F395 HydrophobicContact CG1-CD2 3.85Å; V392-F395 HydrophobicContact CG1-CE1 4.13Å; V392-F395 HydrophobicContact CG1-CE2 3.98Å; V392-F395 HydrophobicContact CG1-CG 3.87Å; V392-F395 HydrophobicContact CG1-CZ 4.12Å; V392-F395 HydrophobicContact CG2-CD2 4.02Å; V392-F395 HydrophobicContact CG2-CE2 3.99Å; V392-F395 PolarHBondContact O-N 2.96Å; V392-M502 HydrophobicContact CG2-CE 3.57Å
393	P	95.4	Very high	97.3	Very high	108 Å²	108	58.6 Å²	58.6	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	-171.3	-24.4	35.1	0	0	0	115	K364 T391 F395	K364-P393 PolarHBondContact NZ-O 3Å; T391-P393 WeakPolarHBondContact O-CD 3.16Å; P393-F395 VanDerWaalsContact C-N 3.35Å
394	T	96	Very high	96.7	Very high	64 Å²	64	58.7 Å²	58.7	39%	0.393	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.7	178.6	52.8	0	0	0	0	112.7	K364 I365 V392	K364-T394 CarbonylContact C-O 3.57Å; K364-T394 VanDerWaalsContact CA-O 3.31Å; K364-T394 WeakPolarHBondContact CA-O 3.14Å; I365-T394 PolarHBondContact N-O 2.91Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.09Å; V392-T394 PolarHBondContact O-N 2.92Å; V392-T394 VanDerWaalsContact O-N 3.11Å
395	F	98.3	Very high	96	Very high	16 Å²	16	63.4 Å²	63.4	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.1	-178.9	-67.1	-9.8	0	0	0	111.9	I365 V367 L389 V392 P393 V397 V505 L506 A509	I365-F395 HydrophobicContact CB-CD1 4.05Å; I365-F395 HydrophobicContact CB-CE1 4.35Å; I365-F395 HydrophobicContact CD1-CE1 4.13Å; I365-F395 HydrophobicContact CG2-CD1 4.41Å; I365-F395 HydrophobicContact CG2-CE1 4.45Å; I365-F395 WeakPolarHBondContact O-CA 3.05Å; V367-F395 HydrophobicContact CG2-CB 4.06Å; V367-F395 HydrophobicContact CG2-CD1 4.04Å; V367-F395 HydrophobicContact CG2-CD2 4.18Å; V367-F395 HydrophobicContact CG2-CG 3.84Å; L389-F395 HydrophobicContact CB-CD2 4.44Å; L389-F395 HydrophobicContact CD2-CD2 3.95Å; L389-F395 HydrophobicContact CD2-CE2 3.98Å; V392-F395 HydrophobicContact CB-CB 4.36Å; V392-F395 HydrophobicContact CB-CD2 3.59Å; V392-F395 HydrophobicContact CB-CE2 3.97Å; V392-F395 HydrophobicContact CB-CG 3.92Å; V392-F395 HydrophobicContact CG1-CD1 4Å; V392-F395 HydrophobicContact CG1-CD2 3.85Å; V392-F395 HydrophobicContact CG1-CE1 4.13Å; V392-F395 HydrophobicContact CG1-CE2 3.98Å; V392-F395 HydrophobicContact CG1-CG 3.87Å; V392-F395 HydrophobicContact CG1-CZ 4.12Å; V392-F395 HydrophobicContact CG2-CD2 4.02Å; V392-F395 HydrophobicContact CG2-CE2 3.99Å; V392-F395 PolarHBondContact O-N 2.96Å; P393-F395 VanDerWaalsContact C-N 3.35Å; F395-V397 HydrophobicContact CB-CG2 3.92Å; F395-V505 HydrophobicContact CE2-CG1 3.69Å; F395-V505 HydrophobicContact CZ-CG1 3.9Å; F395-L506 HydrophobicContact CZ-CD2 4.11Å; F395-A509 HydrophobicContact CE1-CB 3.68Å; F395-A509 HydrophobicContact CZ-CB 3.8Å
396	E	97.9	Very high	95.7	Very high	85 Å²	85	69 Å²	69	40%	0.397	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	97.9	166.6	-174.7	-178.9	159.4	0	0	107.6	K361 I365 V367	K361-E396 VanDerWaalsContact CD-OE2 3.29Å; K361-E396 WeakPolarHBondContact CD-OE2 3.2Å; K361-E396 IonicContact NZ-OE1 2.81Å; K361-E396 PolarHBondContact NZ-OE1 3.44Å; K361-E396 IonicContact NZ-OE2 2.77Å; K361-E396 PolarHBondContact NZ-OE2 3.4Å; I365-E396 PolarHBondContact O-N 2.62Å; V367-E396 PolarHBondContact N-O 3.19Å
397	V	98.4	Very high	95.5	Very high	28 Å²	28	71 Å²	71	17%	0.17	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.2	-169	-171.6	0	0	0	0	110.9	V367 I369 V386 L389 K390 F395	V367-V397 HydrophobicContact CB-CG2 4.48Å; V367-V397 WeakPolarHBondContact O-CA 3.34Å; I369-V397 HydrophobicContact CD1-CG1 4.42Å; V386-V397 HydrophobicContact CG1-CG1 4.37Å; L389-V397 HydrophobicContact CB-CG1 4.2Å; L389-V397 HydrophobicContact CB-CG2 3.58Å; L389-V397 HydrophobicContact CD1-CG1 3.93Å; K390-V397 HydrophobicContact CG-CB 4.28Å; K390-V397 HydrophobicContact CG-CG2 4.23Å; F395-V397 HydrophobicContact CB-CG2 3.92Å
398	Q	98.1	Very high	95.4	Very high	74 Å²	74	68.1 Å²	68.1	35%	0.346	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.3	171	65.1	-179.1	-25.6	0	0	111.9	V367 T368 I369	V367-Q398 PolarHBondContact O-N 3.49Å; T368-Q398 WeakPolarHBondContact CA-O 3.46Å; T368-Q398 HydrophobicContact CG2-CG 4.1Å; T368-Q398 WeakPolarHBondContact OG1-CG 3.4Å; T368-Q398 PolarHBondContact OG1-NE2 2.66Å; I369-Q398 PolarHBondContact N-O 2.8Å
399	I	98.1	Very high	95.3	Very high	72 Å²	72	67.8 Å²	67.8	37%	0.369	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.8	174.9	-53.9	169.7	0	0	0	107	I369 A371 V386	I369-I399 WeakPolarHBondContact O-CA 3.46Å; A371-I399 HydrophobicContact CB-CG2 3.74Å; V386-I399 HydrophobicContact CB-CD1 4.42Å; V386-I399 HydrophobicContact CG1-CD1 4.19Å; V386-I399 HydrophobicContact CG2-CD1 3.53Å; V386-I399 HydrophobicContact CG2-CG1 3.86Å
400	V	97.6	Very high	95.3	Very high	14 Å²	14	69.8 Å²	69.8	9%	0.085	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.6	178.8	-60.8	0	0	0	0	110.5	T368 I369 L370 A371 Y402 I415	T368-V400 HydrophobicContact CG2-CB 4.47Å; T368-V400 HydrophobicContact CG2-CG1 4.12Å; T368-V400 HydrophobicContact CG2-CG2 3.53Å; I369-V400 PolarHBondContact O-N 3.4Å; L370-V400 HydrophobicContact CD1-CG2 4.16Å; A371-V400 PolarHBondContact N-O 3.48Å; V400-Y402 HydrophobicContact CB-CD1 4.06Å; V400-Y402 HydrophobicContact CB-CE1 3.67Å; V400-Y402 HydrophobicContact CG1-CE1 4.36Å; V400-Y402 HydrophobicContact CG2-CD1 3.91Å; V400-Y402 HydrophobicContact CG2-CE1 3.39Å; V400-I415 HydrophobicContact CG1-CD1 4.15Å; V400-I415 HydrophobicContact CG1-CG2 4.06Å
401	D	95.8	Very high	95.3	Very high	44 Å²	44	66.7 Å²	66.7	24%	0.235	34%	0.339	C	S	.	.			trans	-121.5	110.9	169.3	-168.7	-15.1	0	0	0	107.9	S373 K403	S373-D401 WeakPolarHBondContact CB-OD2 3.36Å; S373-D401 PolarHBondContact N-OD2 3.36Å; S373-D401 PolarHBondContact OG-OD2 3.46Å; D401-K403 PolarHBondContact O-N 2.9Å; D401-K403 PolarHBondContact OD1-N 3.23Å
402	Y	94.9	Very high	95.3	Very high	26 Å²	26	62.3 Å²	62.3	10%	0.102	31%	0.312	C	S	.	.			trans	-83	44.7	-177.7	-68.7	-8.9	0	0	0	111.6	L370 V400 L407 Q412 I415 T416 F422 H432	L370-Y402 HydrophobicContact CD1-CD1 4.28Å; L370-Y402 HydrophobicContact CD1-CD2 3.67Å; L370-Y402 HydrophobicContact CD1-CE2 4.24Å; L370-Y402 HydrophobicContact CD1-CG 3.72Å; V400-Y402 HydrophobicContact CB-CD1 4.06Å; V400-Y402 HydrophobicContact CB-CE1 3.67Å; V400-Y402 HydrophobicContact CG1-CE1 4.36Å; V400-Y402 HydrophobicContact CG2-CD1 3.91Å; V400-Y402 HydrophobicContact CG2-CE1 3.39Å; Y402-L407 HydrophobicContact CD1-CD2 3.81Å; Y402-L407 HydrophobicContact CE1-CD2 3.91Å; Y402-Q412 HydrophobicContact CD1-CB 4.18Å; Y402-Q412 HydrophobicContact CD1-CG 3.68Å; Y402-Q412 HydrophobicContact CD2-CB 4.26Å; Y402-Q412 HydrophobicContact CD2-CG 4.29Å; Y402-Q412 HydrophobicContact CE1-CB 4.07Å; Y402-Q412 HydrophobicContact CE1-CG 4.02Å; Y402-Q412 HydrophobicContact CE2-CB 4.16Å; Y402-Q412 HydrophobicContact CG-CB 4.25Å; Y402-Q412 HydrophobicContact CG-CG 3.81Å; Y402-Q412 PolarHBondContact OH-O 3.27Å; Y402-I415 WeakPolarHBondContact OH-CG2 3.28Å; Y402-T416 PolarHBondContact OH-OG1 3.21Å; Y402-F422 HydrophobicContact CE2-CE2 4.32Å; Y402-F422 HydrophobicContact CE2-CZ 4.13Å; Y402-H432 AromaticContact CD2-CE1 3.26Å; Y402-H432 WeakPolarHBondContact CD2-CE1 3.43Å; Y402-H432 AromaticContact CD2-ND1 3.48Å; Y402-H432 WeakPolarHBondContact CD2-ND1 3.38Å; Y402-H432 AromaticContact CD2-NE2 3.7Å; Y402-H432 HydrophobicContact CE2-CB 4.44Å; Y402-H432 AromaticContact CE2-CD2 3.7Å; Y402-H432 AromaticContact CE2-CE1 3.62Å; Y402-H432 AromaticContact CE2-CG 3.66Å; Y402-H432 AromaticContact CE2-ND1 3.61Å; Y402-H432 AromaticContact CE2-NE2 3.68Å
403	K	90.2	Very high	95.4	Very high	89 Å²	89	61.1 Å²	61.1	39%	0.387	30%	0.304	S	S	.	.			trans	-75.2	130.8	179.6	-177	166.6	165.1	-152.4	0	110.3	D401 R405 E406 L407	D401-K403 PolarHBondContact O-N 2.9Å; D401-K403 PolarHBondContact OD1-N 3.23Å; K403-R405 PolarHBondContact O-N 2.94Å; K403-E406 HydrophobicContact CB-CB 4.34Å; K403-E406 HydrophobicContact CB-CG 4.4Å; K403-E406 HydrophobicContact CD-CG 4.43Å; K403-E406 VanDerWaalsContact CD-OE1 3.24Å; K403-E406 WeakPolarHBondContact CD-OE1 3.23Å; K403-E406 WeakPolarHBondContact CE-OE1 3.36Å; K403-E406 HydrophobicContact CG-CG 4.31Å; K403-E406 IonicContact NZ-OE1 2.86Å; K403-E406 PolarHBondContact NZ-OE1 3.47Å; K403-E406 PolarHBondContact O-N 3.39Å; K403-E406 VanDerWaalsContact O-N 3.09Å; K403-L407 PolarHBondContact O-N 3.19Å
404	Y	84.7	Confident	95.5	Very high	120 Å²	120	61.1 Å²	61.1	47%	0.471	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136.4	177.7	177.4	-115.9	0	0	0	111.3	L285 E406	L285-Y404 HydrophobicContact CB-CD2 4.15Å; L285-Y404 HydrophobicContact CB-CE2 4.39Å; L285-Y404 HydrophobicContact CD1-CG 4.42Å; L285-Y404 HydrophobicContact CD2-CD1 3.83Å; L285-Y404 HydrophobicContact CD2-CD2 3.63Å; L285-Y404 HydrophobicContact CD2-CE1 3.73Å; L285-Y404 HydrophobicContact CD2-CE2 3.54Å; L285-Y404 HydrophobicContact CD2-CG 3.79Å; L285-Y404 HydrophobicContact CG-CD2 4.31Å; Y404-E406 PolarHBondContact O-N 3.22Å
405	R	84.7	Confident	95.6	Very high	211 Å²	211	59.9 Å²	59.9	80%	0.796	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-10.8	-173.7	-58.5	175.7	178.7	-178.7	-0.6	116.9	K403	K403-R405 PolarHBondContact O-N 2.94Å
406	E	91.7	Very high	95.6	Very high	120 Å²	120	59.1 Å²	59.1	56%	0.561	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-36.2	174.1	-65.6	-176.5	-167.9	0	0	111.5	K403 Y404	K403-E406 HydrophobicContact CB-CB 4.34Å; K403-E406 HydrophobicContact CB-CG 4.4Å; K403-E406 HydrophobicContact CD-CG 4.43Å; K403-E406 VanDerWaalsContact CD-OE1 3.24Å; K403-E406 WeakPolarHBondContact CD-OE1 3.23Å; K403-E406 WeakPolarHBondContact CE-OE1 3.36Å; K403-E406 HydrophobicContact CG-CG 4.31Å; K403-E406 IonicContact NZ-OE1 2.86Å; K403-E406 PolarHBondContact NZ-OE1 3.47Å; K403-E406 PolarHBondContact O-N 3.39Å; K403-E406 VanDerWaalsContact O-N 3.09Å; Y404-E406 PolarHBondContact O-N 3.22Å
407	L	94.3	Very high	95.7	Very high	46 Å²	46	56.1 Å²	56.1	24%	0.241	26%	0.264	C	S	.	.	S	Bend	trans	-135.4	123.7	174.6	-170.7	65.4	0	0	0	110.2	Y402 K403 D411 Q412 I415	Y402-L407 HydrophobicContact CD1-CD2 3.81Å; Y402-L407 HydrophobicContact CE1-CD2 3.91Å; K403-L407 PolarHBondContact O-N 3.19Å; L407-D411 HydrophobicContact CD1-CB 3.67Å; L407-D411 HydrophobicContact CG-CB 4.06Å; L407-Q412 HydrophobicContact CB-CG 4.43Å; L407-Q412 HydrophobicContact CD2-CG 3.81Å; L407-Q412 HydrophobicContact CG-CG 4Å; L407-Q412 PolarHBondContact O-NE2 3.04Å; L407-I415 HydrophobicContact CD2-CD1 3.86Å
408	G	96.3	Very high	95.6	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	26%	0.259	S	S	.	.			trans	-63.3	148.8	179.1	0	0	0	0	0	112	L410 D411 Q412	G408-L410 VanDerWaalsContact C-N 3.33Å; G408-L410 PolarHBondContact O-N 3.35Å; G408-D411 WeakPolarHBondContact O-CB 3.41Å; G408-D411 PolarHBondContact O-N 3.16Å; G408-Q412 WeakPolarHBondContact O-CG 2.94Å; G408-Q412 PolarHBondContact O-N 3.32Å
409	F	97.3	Very high	95.6	Very high	7 Å²	7	52 Å²	52	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-38.8	-173.4	-177.7	-118.1	0	0	0	112.6	M246 F250 F286 D288 T289 D411 Q412 L413 H432	M246-F409 HydrophobicContact CE-CE2 3.96Å; M246-F409 HydrophobicContact CE-CZ 4.07Å; M246-F409 HydrophobicContact SD-CE2 4.44Å; F250-F409 HydrophobicContact CE2-CE1 4.47Å; F250-F409 HydrophobicContact CE2-CE2 4.47Å; F250-F409 AromaticContact CE2-CZ 3.81Å; F250-F409 HydrophobicContact CE2-CZ 3.81Å; F250-F409 AromaticContact CZ-CE1 3.94Å; F250-F409 HydrophobicContact CZ-CE1 3.94Å; F250-F409 AromaticContact CZ-CZ 3.48Å; F250-F409 HydrophobicContact CZ-CZ 3.48Å; F250-F409 VanDerWaalsContact CZ-CZ 3.48Å; F286-F409 HydrophobicContact CB-CD1 4.48Å; F286-F409 HydrophobicContact CB-CE1 4.46Å; F286-F409 AromaticContact CD1-CD2 3.62Å; F286-F409 HydrophobicContact CD1-CD2 3.62Å; F286-F409 AromaticContact CD1-CE2 3.61Å; F286-F409 HydrophobicContact CD1-CE2 3.61Å; F286-F409 HydrophobicContact CD1-CG 4.11Å; F286-F409 HydrophobicContact CD1-CZ 4.09Å; F286-F409 HydrophobicContact CE1-CD2 4.16Å; F286-F409 HydrophobicContact CE1-CE2 4.15Å; D288-F409 HydrophobicContact CB-CD1 4.37Å; T289-F409 VanDerWaalsContact OG1-CE1 3.23Å; T289-F409 WeakPolarHBondContact OG1-CE1 3.33Å; F409-D411 VanDerWaalsContact C-N 3.26Å; F409-D411 PolarHBondContact O-N 2.92Å; F409-Q412 HydrophobicContact CD2-CB 4.45Å; F409-Q412 WeakPolarHBondContact O-CB 3.49Å; F409-Q412 PolarHBondContact O-N 3.22Å; F409-Q412 VanDerWaalsContact O-N 3.11Å; F409-L413 HydrophobicContact CD1-CD1 4.28Å; F409-L413 HydrophobicContact CD1-CG 4.44Å; F409-L413 HydrophobicContact CE1-CD1 3.74Å; F409-L413 HydrophobicContact CE1-CD2 4.24Å; F409-L413 HydrophobicContact CE1-CG 4Å; F409-L413 HydrophobicContact CE2-CD2 4.1Å; F409-L413 HydrophobicContact CE2-CG 4.3Å; F409-L413 HydrophobicContact CZ-CD1 4.09Å; F409-L413 HydrophobicContact CZ-CD2 3.7Å; F409-L413 HydrophobicContact CZ-CG 3.92Å; F409-L413 PolarHBondContact O-N 2.78Å; F409-H432 AromaticContact CE2-NE2 3.79Å
410	L	98.1	Very high	95.7	Very high	42 Å²	42	48.6 Å²	48.6	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-34.8	174.3	-60.9	-175.9	0	0	0	112.8	D288 L353 I355 G408 L413 R414	D288-L410 HydrophobicContact CB-CD2 3.91Å; D288-L410 HydrophobicContact CB-CG 4.06Å; L353-L410 HydrophobicContact CB-CD2 4.17Å; L353-L410 HydrophobicContact CD1-CD2 3.96Å; L353-L410 HydrophobicContact CD2-CD2 4.43Å; L353-L410 HydrophobicContact CG-CD2 4.42Å; I355-L410 HydrophobicContact CD1-CB 4.37Å; I355-L410 HydrophobicContact CD1-CD2 4.4Å; G408-L410 VanDerWaalsContact C-N 3.33Å; G408-L410 PolarHBondContact O-N 3.35Å; L410-L413 PolarHBondContact O-N 3.45Å; L410-R414 WeakPolarHBondContact O-CG 3.42Å; L410-R414 PolarHBondContact O-N 3.11Å
411	D	98.1	Very high	95.7	Very high	65 Å²	65	47.9 Å²	47.9	35%	0.348	22%	0.221	S	C	.	.	H	α-helix	trans	-71.8	-37.1	175.1	-64.3	-41.6	0	0	0	111.7	L407 G408 F409 L413 R414 I415	L407-D411 HydrophobicContact CD1-CB 3.67Å; L407-D411 HydrophobicContact CG-CB 4.06Å; G408-D411 WeakPolarHBondContact O-CB 3.41Å; G408-D411 PolarHBondContact O-N 3.16Å; F409-D411 VanDerWaalsContact C-N 3.26Å; F409-D411 PolarHBondContact O-N 2.92Å; D411-L413 VanDerWaalsContact C-N 3.26Å; D411-L413 PolarHBondContact O-N 3.16Å; D411-R414 PolarHBondContact O-N 3.2Å; D411-R414 IonicContact OD1-CZ 3.83Å; D411-R414 IonicContact OD1-NH1 2.7Å; D411-R414 PolarHBondContact OD1-NH1 2.76Å; D411-I415 WeakPolarHBondContact O-CG1 3.28Å; D411-I415 PolarHBondContact O-N 2.91Å
412	Q	98.3	Very high	95.9	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-41.3	171	-58.9	175	25.8	0	0	110.8	Y402 L407 G408 F409 T416 H432	Y402-Q412 HydrophobicContact CD1-CB 4.18Å; Y402-Q412 HydrophobicContact CD1-CG 3.68Å; Y402-Q412 HydrophobicContact CD2-CB 4.26Å; Y402-Q412 HydrophobicContact CD2-CG 4.29Å; Y402-Q412 HydrophobicContact CE1-CB 4.07Å; Y402-Q412 HydrophobicContact CE1-CG 4.02Å; Y402-Q412 HydrophobicContact CE2-CB 4.16Å; Y402-Q412 HydrophobicContact CG-CB 4.25Å; Y402-Q412 HydrophobicContact CG-CG 3.81Å; Y402-Q412 PolarHBondContact OH-O 3.27Å; L407-Q412 HydrophobicContact CB-CG 4.43Å; L407-Q412 HydrophobicContact CD2-CG 3.81Å; L407-Q412 HydrophobicContact CG-CG 4Å; L407-Q412 PolarHBondContact O-NE2 3.04Å; G408-Q412 WeakPolarHBondContact O-CG 2.94Å; G408-Q412 PolarHBondContact O-N 3.32Å; F409-Q412 HydrophobicContact CD2-CB 4.45Å; F409-Q412 WeakPolarHBondContact O-CB 3.49Å; F409-Q412 PolarHBondContact O-N 3.22Å; F409-Q412 VanDerWaalsContact O-N 3.11Å; Q412-T416 WeakPolarHBondContact O-CB 3.35Å; Q412-T416 PolarHBondContact O-N 2.87Å; Q412-T416 PolarHBondContact O-OG1 3.05Å; Q412-H432 PolarHBondContact OE1-CE1 2.88Å; Q412-H432 PolarHBondContact OE1-NE2 3.16Å
413	L	98.6	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-41.7	174.8	-66	-174.4	0	0	0	112.4	L353 I355 F409 L410 D411 I415 T416 H417 F435	L353-L413 HydrophobicContact CD1-CD1 3.78Å; I355-L413 HydrophobicContact CD1-CB 4.18Å; I355-L413 HydrophobicContact CG1-CB 4.15Å; I355-L413 HydrophobicContact CG1-CD1 4.36Å; I355-L413 HydrophobicContact CG2-CB 4.36Å; F409-L413 HydrophobicContact CD1-CD1 4.28Å; F409-L413 HydrophobicContact CD1-CG 4.44Å; F409-L413 HydrophobicContact CE1-CD1 3.74Å; F409-L413 HydrophobicContact CE1-CD2 4.24Å; F409-L413 HydrophobicContact CE1-CG 4Å; F409-L413 HydrophobicContact CE2-CD2 4.1Å; F409-L413 HydrophobicContact CE2-CG 4.3Å; F409-L413 HydrophobicContact CZ-CD1 4.09Å; F409-L413 HydrophobicContact CZ-CD2 3.7Å; F409-L413 HydrophobicContact CZ-CG 3.92Å; F409-L413 PolarHBondContact O-N 2.78Å; L410-L413 PolarHBondContact O-N 3.45Å; D411-L413 VanDerWaalsContact C-N 3.26Å; D411-L413 PolarHBondContact O-N 3.16Å; L413-I415 PolarHBondContact O-N 3.46Å; L413-T416 PolarHBondContact O-N 3.08Å; L413-H417 VanDerWaalsContact O-CB 3.22Å; L413-H417 WeakPolarHBondContact O-CB 3.46Å; L413-H417 PolarHBondContact O-N 3.07Å; L413-F435 HydrophobicContact CD2-CB 4.14Å; L413-F435 HydrophobicContact CD2-CD1 4.37Å; L413-F435 HydrophobicContact CD2-CD2 3.36Å; L413-F435 HydrophobicContact CD2-CE2 3.83Å; L413-F435 HydrophobicContact CD2-CG 3.68Å
414	R	98.6	Very high	96.4	Very high	108 Å²	108	40.3 Å²	40.3	41%	0.408	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-45.3	176.8	-73.4	173.7	-174.6	123.2	6.2	112.1	I355 L410 D411 N418	I355-R414 HydrophobicContact CD1-CG 3.89Å; I355-R414 HydrophobicContact CG2-CG 4.22Å; L410-R414 WeakPolarHBondContact O-CG 3.42Å; L410-R414 PolarHBondContact O-N 3.11Å; D411-R414 PolarHBondContact O-N 3.2Å; D411-R414 IonicContact OD1-CZ 3.83Å; D411-R414 IonicContact OD1-NH1 2.7Å; D411-R414 PolarHBondContact OD1-NH1 2.76Å; R414-N418 WeakPolarHBondContact O-CB 3.44Å; R414-N418 PolarHBondContact O-N 3.05Å; R414-N418 PolarHBondContact O-ND2 2.85Å
415	I	98.6	Very high	96.9	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.195	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-49.6	177.2	-66.6	170.7	0	0	0	110.2	T368 V400 Y402 L407 D411 L413 H417 N418 T419	T368-I415 HydrophobicContact CG2-CG2 4.14Å; V400-I415 HydrophobicContact CG1-CD1 4.15Å; V400-I415 HydrophobicContact CG1-CG2 4.06Å; Y402-I415 WeakPolarHBondContact OH-CG2 3.28Å; L407-I415 HydrophobicContact CD2-CD1 3.86Å; D411-I415 WeakPolarHBondContact O-CG1 3.28Å; D411-I415 PolarHBondContact O-N 2.91Å; L413-I415 PolarHBondContact O-N 3.46Å; I415-H417 PolarHBondContact O-N 2.61Å; I415-N418 CarbonylContact O-C 3.54Å; I415-N418 PolarHBondContact O-N 2.65Å; I415-N418 VanDerWaalsContact O-N 3.16Å; I415-T419 PolarHBondContact O-N 2.81Å; I415-T419 PolarHBondContact O-OG1 3.46Å
416	T	98.5	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-49.7	-179.6	-61.6	0	0	0	0	111.4	Y402 Q412 L413 N418 T419 H432 F435 L436	Y402-T416 PolarHBondContact OH-OG1 3.21Å; Q412-T416 WeakPolarHBondContact O-CB 3.35Å; Q412-T416 PolarHBondContact O-N 2.87Å; Q412-T416 PolarHBondContact O-OG1 3.05Å; L413-T416 PolarHBondContact O-N 3.08Å; T416-N418 PolarHBondContact O-N 2.94Å; T416-N418 VanDerWaalsContact O-N 3.14Å; T416-T419 WeakPolarHBondContact O-CB 3.4Å; T416-T419 PolarHBondContact O-N 2.88Å; T416-H432 HydrophobicContact CG2-CB 3.74Å; T416-H432 WeakPolarHBondContact CG2-O 3.28Å; T416-H432 PolarHBondContact OG1-CD2 2.75Å; T416-H432 VanDerWaalsContact OG1-CD2 3.28Å; T416-F435 HydrophobicContact CG2-CB 3.91Å; T416-L436 HydrophobicContact CG2-CD2 4.04Å; T416-L436 HydrophobicContact CG2-CG 4.32Å; T416-L436 WeakPolarHBondContact O-CD2 3.15Å
417	H	98.1	Very high	97.6	Very high	23 Å²	23	19.5 Å²	19.5	11%	0.106	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-17	-177.9	-163	49	0	0	0	113.4	L350 I355 Q357 L413 I415 F435	L350-H417 WeakPolarHBondContact CD1-CE1 3.24Å; L350-H417 WeakPolarHBondContact CD1-ND1 3.46Å; L350-H417 HydrophobicContact CD2-CB 4.2Å; I355-H417 HydrophobicContact CG2-CB 4.06Å; Q357-H417 VanDerWaalsContact CB-NE2 3.26Å; Q357-H417 WeakPolarHBondContact CB-NE2 3.36Å; Q357-H417 WeakPolarHBondContact CG-NE2 3.34Å; L413-H417 VanDerWaalsContact O-CB 3.22Å; L413-H417 WeakPolarHBondContact O-CB 3.46Å; L413-H417 PolarHBondContact O-N 3.07Å; I415-H417 PolarHBondContact O-N 2.61Å; H417-F435 VanDerWaalsContact CA-O 3.31Å; H417-F435 WeakPolarHBondContact CA-O 3.47Å; H417-F435 PolarHBondContact ND1-O 3.15Å
418	N	97.9	Very high	97.6	Very high	15 Å²	15	18.5 Å²	18.5	8%	0.08	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	34.6	174.2	-69.6	-69	0	0	0	111.9	T356 E358 R366 R414 I415 T416	T356-N418 PolarHBondContact O-ND2 3.33Å; E358-N418 WeakPolarHBondContact CB-OD1 3.42Å; E358-N418 WeakPolarHBondContact CG-OD1 3.48Å; E358-N418 PolarHBondContact N-OD1 3.13Å; R366-N418 WeakPolarHBondContact CD-O 3.19Å; R366-N418 PolarHBondContact NE-O 3.05Å; R366-N418 VanDerWaalsContact NE-O 3.1Å; R366-N418 PolarHBondContact NH1-OD1 3.27Å; R366-N418 VanDerWaalsContact NH1-OD1 3.15Å; R414-N418 WeakPolarHBondContact O-CB 3.44Å; R414-N418 PolarHBondContact O-N 3.05Å; R414-N418 PolarHBondContact O-ND2 2.85Å; I415-N418 CarbonylContact O-C 3.54Å; I415-N418 PolarHBondContact O-N 2.65Å; I415-N418 VanDerWaalsContact O-N 3.16Å; T416-N418 PolarHBondContact O-N 2.94Å; T416-N418 VanDerWaalsContact O-N 3.14Å
419	T	98.5	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.			trans	-114.9	133.8	171.6	-66.3	0	0	0	0	110.1	T368 I415 T416 I421 F422 L436 P437	T368-T419 WeakPolarHBondContact CB-OG1 3.47Å; T368-T419 WeakPolarHBondContact OG1-CG2 3.21Å; T368-T419 PolarHBondContact OG1-OG1 3.11Å; I415-T419 PolarHBondContact O-N 2.81Å; I415-T419 PolarHBondContact O-OG1 3.46Å; T416-T419 WeakPolarHBondContact O-CB 3.4Å; T416-T419 PolarHBondContact O-N 2.88Å; T419-I421 WeakPolarHBondContact CG2-O 3.44Å; T419-F422 HydrophobicContact CG2-CB 3.85Å; T419-F422 HydrophobicContact CG2-CD2 4.11Å; T419-F422 HydrophobicContact CG2-CG 4.5Å; T419-L436 HydrophobicContact CG2-CD2 4.2Å; T419-P437 WeakPolarHBondContact O-CD 3.27Å; T419-P437 VanDerWaalsContact O-CG 3.28Å; T419-P437 WeakPolarHBondContact O-CG 3.18Å
420	D	98.2	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-97.9	-33.1	178.9	-51.8	-51.1	0	0	0	111.5	I365 R366 W439 A440 A441 V512 W518	I365-D420 HydrophobicContact CG2-CB 3.85Å; R366-D420 WeakPolarHBondContact CB-OD2 3.45Å; R366-D420 IonicContact CZ-OD1 3.66Å; R366-D420 IonicContact CZ-OD2 3.73Å; R366-D420 PolarHBondContact N-OD2 3.05Å; R366-D420 IonicContact NE-OD1 3.59Å; R366-D420 IonicContact NE-OD2 2.95Å; R366-D420 PolarHBondContact NE-OD2 2.73Å; R366-D420 IonicContact NH2-OD1 2.86Å; R366-D420 PolarHBondContact NH2-OD1 3.04Å; R366-D420 IonicContact NH2-OD2 3.6Å; R366-D420 PolarHBondContact O-N 3.12Å; D420-W439 PolarHBondContact OD1-NE1 3.3Å; D420-A440 CarbonylContact O-C 3.22Å; D420-A440 WeakPolarHBondContact O-CA 3.27Å; D420-A440 WeakPolarHBondContact O-CB 3.41Å; D420-A441 PolarHBondContact O-N 3.22Å; D420-V512 HydrophobicContact CB-CG1 4.23Å; D420-V512 WeakPolarHBondContact O-CG2 3.4Å; D420-W518 HydrophobicContact CB-CZ3 4.47Å; D420-W518 WeakPolarHBondContact OD1-CZ3 3.43Å
421	I	98.8	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.4	169.8	-56.2	172.5	0	0	0	108.8	I365 R366 V367 T368 T419 I423 A441 V505 A508 A509 V512	I365-I421 HydrophobicContact CG2-CD1 3.73Å; I365-I421 HydrophobicContact CG2-CG1 3.91Å; R366-I421 PolarHBondContact O-N 2.88Å; V367-I421 WeakPolarHBondContact CA-O 3.19Å; V367-I421 HydrophobicContact CG1-CB 4.29Å; V367-I421 HydrophobicContact CG1-CG2 4.41Å; V367-I421 HydrophobicContact CG2-CB 4.26Å; V367-I421 HydrophobicContact CG2-CD1 4.18Å; T368-I421 PolarHBondContact N-O 3.05Å; T419-I421 WeakPolarHBondContact CG2-O 3.44Å; I421-I423 HydrophobicContact CG2-CD1 4.18Å; I421-I423 HydrophobicContact CG2-CG1 3.87Å; I421-A441 WeakPolarHBondContact CA-O 3.43Å; I421-V505 HydrophobicContact CD1-CG1 4.15Å; I421-A508 HydrophobicContact CD1-CB 3.99Å; I421-A508 HydrophobicContact CG1-CB 4.24Å; I421-A508 HydrophobicContact CG2-CB 4.16Å; I421-A509 HydrophobicContact CD1-CB 3.99Å; I421-V512 HydrophobicContact CG1-CG2 4.15Å
422	F	98.8	Very high	97.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.2	179.5	-169.1	-110.9	0	0	0	110.6	T368 L370 Y402 T419 L430 H432 L436 A441 V442 F443	T368-F422 HydrophobicContact CG2-CD2 4.01Å; T368-F422 HydrophobicContact CG2-CE2 3.97Å; L370-F422 HydrophobicContact CB-CE2 4.34Å; L370-F422 HydrophobicContact CB-CZ 3.91Å; L370-F422 HydrophobicContact CD2-CE1 4.39Å; L370-F422 HydrophobicContact CD2-CZ 4.06Å; L370-F422 HydrophobicContact CG-CZ 4.41Å; Y402-F422 HydrophobicContact CE2-CE2 4.32Å; Y402-F422 HydrophobicContact CE2-CZ 4.13Å; T419-F422 HydrophobicContact CG2-CB 3.85Å; T419-F422 HydrophobicContact CG2-CD2 4.11Å; T419-F422 HydrophobicContact CG2-CG 4.5Å; F422-L430 HydrophobicContact CD1-CD2 4.16Å; F422-L430 HydrophobicContact CE1-CD2 3.94Å; F422-H432 HydrophobicContact CE1-CB 4.16Å; F422-H432 HydrophobicContact CZ-CB 4.12Å; F422-L436 HydrophobicContact CB-CD1 3.92Å; F422-L436 HydrophobicContact CB-CD2 3.72Å; F422-L436 HydrophobicContact CB-CG 4.45Å; F422-L436 HydrophobicContact CG-CD2 4.21Å; F422-A441 PolarHBondContact N-O 3.3Å; F422-V442 HydrophobicContact CD1-CG2 4.29Å; F422-V442 CarbonylContact O-C 3.59Å; F422-V442 VanDerWaalsContact O-CA 3.32Å; F422-V442 WeakPolarHBondContact O-CA 3.44Å; F422-F443 PolarHBondContact O-N 2.92Å
423	I	98.8	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.9	-172.7	-52.1	-178.4	0	0	0	108.7	V367 T368 I369 L370 L389 I421 F443 L445 F501 V505	V367-I423 HydrophobicContact CG1-CD1 3.66Å; V367-I423 HydrophobicContact CG1-CG1 4.3Å; T368-I423 PolarHBondContact O-N 3.3Å; I369-I423 CarbonylContact C-O 3.37Å; I369-I423 WeakPolarHBondContact CA-O 3.2Å; I369-I423 HydrophobicContact CG1-CB 4.31Å; I369-I423 HydrophobicContact CG1-CD1 4.42Å; L370-I423 PolarHBondContact N-O 3.24Å; L389-I423 HydrophobicContact CD1-CD1 4.41Å; I421-I423 HydrophobicContact CG2-CD1 4.18Å; I421-I423 HydrophobicContact CG2-CG1 3.87Å; I423-F443 WeakPolarHBondContact CA-O 3.44Å; I423-F443 HydrophobicContact CB-CB 4.48Å; I423-F443 HydrophobicContact CG1-CB 4.15Å; I423-F443 HydrophobicContact CG1-CD1 4.5Å; I423-F443 HydrophobicContact CG2-CB 4.32Å; I423-F443 HydrophobicContact CG2-CD1 4.17Å; I423-F443 HydrophobicContact CG2-CG 4.39Å; I423-L445 HydrophobicContact CG2-CD1 3.97Å; I423-L445 HydrophobicContact CG2-CD2 4.05Å; I423-L445 HydrophobicContact CG2-CG 3.77Å; I423-F501 HydrophobicContact CD1-CE2 4.11Å; I423-F501 HydrophobicContact CD1-CZ 3.86Å; I423-F501 HydrophobicContact CG2-CE2 4.01Å; I423-V505 HydrophobicContact CD1-CG2 3.72Å
424	G	97.6	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	161.6	178.4	0	0	0	0	0	114.2	F443 E444 L445	G424-F443 PolarHBondContact N-O 3.36Å; G424-E444 CarbonylContact O-C 3.58Å; G424-E444 WeakPolarHBondContact O-CA 3.45Å; G424-L445 PolarHBondContact O-N 3.37Å
425	M	96.1	Very high	97.6	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.01	4%	0.043	C	C	.	.			trans	-78.2	148.4	172.4	-74.5	-66.1	-66.7	0	0	111.4	R377 I379 G427 L445 Y494 F496	R377-M425 HydrophobicContact CB-CB 4.41Å; R377-M425 HydrophobicContact CB-CE 4.03Å; R377-M425 HydrophobicContact CG-CE 4.28Å; R377-M425 WeakPolarHBondContact O-CG 3.41Å; I379-M425 HydrophobicContact CD1-CG 4.23Å; I379-M425 HydrophobicContact CG1-CG 3.66Å; I379-M425 HydrophobicContact CG1-SD 4.48Å; M425-G427 PolarHBondContact O-N 3.15Å; M425-L445 HydrophobicContact CG-CB 4.33Å; M425-L445 HydrophobicContact CG-CD1 4.33Å; M425-L445 HydrophobicContact SD-CB 3.53Å; M425-L445 VanDerWaalsContact SD-CB 3.53Å; M425-L445 HydrophobicContact SD-CD1 4.32Å; M425-Y494 HydrophobicContact CE-CD2 3.49Å; M425-Y494 VanDerWaalsContact CE-CD2 3.49Å; M425-Y494 HydrophobicContact CE-CE2 4.16Å; M425-Y494 HydrophobicContact CE-CG 4.07Å; M425-F496 HydrophobicContact CE-CZ 4.09Å; M425-F496 HydrophobicContact SD-CE1 4.39Å; M425-F496 HydrophobicContact SD-CE2 3.81Å; M425-F496 HydrophobicContact SD-CZ 3.34Å; M425-F496 WeakPolarHBondContact SD-CZ 3.08Å
426	H	95.2	Very high	97.6	Very high	7 Å²	7	4.8 Å²	4.8	3%	0.032	3%	0.034	C	C	.	.	S	Bend	trans	-46.6	130.1	176.4	-176.8	89	0	0	0	112.6	R372 R377 E444 Y446 N447 D450 Y454	R372-H426 PolarHBondContact NH1-O 2.96Å; R377-H426 WeakPolarHBondContact CD-O 3.49Å; R377-H426 PolarHBondContact NH1-O 3.49Å; H426-E444 WeakPolarHBondContact CA-OE1 3.22Å; H426-E444 HydrophobicContact CB-CG 4.46Å; H426-E444 WeakPolarHBondContact CB-OE1 3.46Å; H426-E444 IonicContact CE1-OE1 3.88Å; H426-E444 IonicContact CG-OE1 2.67Å; H426-E444 VanDerWaalsContact CG-OE1 3.25Å; H426-E444 IonicContact ND1-OE1 3.06Å; H426-E444 PolarHBondContact ND1-OE1 3.14Å; H426-Y446 WeakPolarHBondContact CB-O 3.46Å; H426-Y446 PolarHBondContact N-O 3.25Å; H426-N447 PolarHBondContact ND1-O 2.73Å; H426-D450 IonicContact CE1-OD2 2.98Å; H426-D450 IonicContact NE2-OD2 3.6Å; H426-Y454 AromaticContact CE1-CD2 3.72Å; H426-Y454 AromaticContact CE1-CE2 3.52Å; H426-Y454 AromaticContact ND1-CD2 3.43Å; H426-Y454 WeakPolarHBondContact ND1-CD2 2.96Å; H426-Y454 AromaticContact ND1-CE2 3.45Å; H426-Y454 WeakPolarHBondContact ND1-CE2 3.37Å
427	G	94.5	Very high	97.5	Very high	5 Å²	5	4.9 Å²	4.9	5%	0.052	4%	0.035	C	C	.	.	S	Bend	trans	145.8	171.8	176.4	0	0	0	0	0	112.8	M425 G429 L430 Y454	M425-G427 PolarHBondContact O-N 3.15Å; G427-G429 PolarHBondContact O-N 3.24Å; G427-L430 WeakPolarHBondContact O-CB 3.35Å; G427-L430 PolarHBondContact O-N 2.97Å; G427-Y454 VanDerWaalsContact O-CZ 3.3Å; G427-Y454 PolarHBondContact O-OH 3.38Å
428	A	94.4	Very high	97.3	Very high	24 Å²	24	5.1 Å²	5.1	20%	0.198	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-52.9	-26.5	-164.6	0	0	0	0	0	115.4	N245 M246 L430 T431 Y454	N245-A428 WeakPolarHBondContact OD1-CB 3.3Å; M246-A428 HydrophobicContact CB-CB 4.33Å; A428-L430 PolarHBondContact O-N 2.78Å; A428-T431 VanDerWaalsContact O-CB 3.24Å; A428-T431 WeakPolarHBondContact O-CB 2.97Å; A428-T431 PolarHBondContact O-N 2.96Å; A428-T431 VanDerWaalsContact O-N 3.09Å; A428-T431 PolarHBondContact O-OG1 2.96Å; A428-T431 VanDerWaalsContact O-OG1 3.08Å; A428-Y454 WeakPolarHBondContact CA-OH 3.13Å; A428-Y454 PolarHBondContact N-OH 3.05Å
429	G	95.9	Very high	97.2	Very high	21 Å²	21	5 Å²	5	22%	0.216	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.7	174.4	0	0	0	0	0	113.9	G427 T431 H432	G427-G429 PolarHBondContact O-N 3.24Å; G429-T431 PolarHBondContact O-N 2.88Å; G429-H432 WeakPolarHBondContact O-CB 3.43Å; G429-H432 PolarHBondContact O-N 2.81Å; G429-H432 PolarHBondContact O-ND1 3.36Å
430	L	97.1	Very high	97.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-68.5	-14.1	174.2	-73.1	-176.1	0	0	0	113.3	F422 G427 A428 H432 L433 V442 E444 Y454	F422-L430 HydrophobicContact CD1-CD2 4.16Å; F422-L430 HydrophobicContact CE1-CD2 3.94Å; G427-L430 WeakPolarHBondContact O-CB 3.35Å; G427-L430 PolarHBondContact O-N 2.97Å; A428-L430 PolarHBondContact O-N 2.78Å; L430-H432 PolarHBondContact O-N 3.1Å; L430-H432 VanDerWaalsContact O-N 3.1Å; L430-L433 VanDerWaalsContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CB 3.4Å; L430-L433 VanDerWaalsContact O-CD2 3.29Å; L430-L433 WeakPolarHBondContact O-CD2 3.2Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.34Å; L430-V442 HydrophobicContact CD2-CG2 4.25Å; L430-E444 HydrophobicContact CD1-CB 3.99Å; L430-E444 HydrophobicContact CD1-CG 3.76Å; L430-E444 WeakPolarHBondContact CD1-OE1 3.34Å; L430-Y454 HydrophobicContact CB-CD1 3.57Å; L430-Y454 HydrophobicContact CB-CD2 4.38Å; L430-Y454 HydrophobicContact CB-CE1 3.58Å; L430-Y454 HydrophobicContact CB-CE2 4.41Å; L430-Y454 HydrophobicContact CB-CG 4Å; L430-Y454 HydrophobicContact CD1-CD2 4.12Å; L430-Y454 HydrophobicContact CD1-CG 4.19Å
431	T	97.9	Very high	97.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.5	171.7	-55.8	0	0	0	0	112.5	M246 Y247 F250 A428 G429 L433 L434 L457	M246-T431 HydrophobicContact CE-CG2 4.13Å; M246-T431 HydrophobicContact CG-CG2 3.88Å; M246-T431 HydrophobicContact SD-CG2 4.19Å; Y247-T431 VanDerWaalsContact CA-OG1 3.29Å; Y247-T431 WeakPolarHBondContact CA-OG1 3.46Å; Y247-T431 WeakPolarHBondContact CB-OG1 3.21Å; Y247-T431 PolarHBondContact N-OG1 2.99Å; F250-T431 HydrophobicContact CB-CG2 4Å; F250-T431 HydrophobicContact CG-CG2 4.27Å; A428-T431 VanDerWaalsContact O-CB 3.24Å; A428-T431 WeakPolarHBondContact O-CB 2.97Å; A428-T431 PolarHBondContact O-N 2.96Å; A428-T431 VanDerWaalsContact O-N 3.09Å; A428-T431 PolarHBondContact O-OG1 2.96Å; A428-T431 VanDerWaalsContact O-OG1 3.08Å; G429-T431 PolarHBondContact O-N 2.88Å; T431-L433 PolarHBondContact O-N 2.94Å; T431-L434 HydrophobicContact CG2-CD1 3.84Å; T431-L434 WeakPolarHBondContact O-CB 3.27Å; T431-L434 WeakPolarHBondContact O-CG 3.11Å; T431-L434 PolarHBondContact O-N 2.84Å; T431-L434 VanDerWaalsContact O-N 3.09Å; T431-L457 HydrophobicContact CG2-CD2 4.31Å
432	H	98.4	Very high	97.1	Very high	3 Å²	3	5 Å²	5	1%	0.014	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-54.4	-19.2	167.9	-76.7	93	0	0	0	113.6	M246 Y402 F409 Q412 T416 F422 G429 L430 L434 F435	M246-H432 PolarHBondContact SD-CE1 3.16Å; M246-H432 PolarHBondContact SD-ND1 3.37Å; M246-H432 VanDerWaalsContact SD-ND1 3.37Å; Y402-H432 AromaticContact CD2-CE1 3.26Å; Y402-H432 WeakPolarHBondContact CD2-CE1 3.43Å; Y402-H432 AromaticContact CD2-ND1 3.48Å; Y402-H432 WeakPolarHBondContact CD2-ND1 3.38Å; Y402-H432 AromaticContact CD2-NE2 3.7Å; Y402-H432 HydrophobicContact CE2-CB 4.44Å; Y402-H432 AromaticContact CE2-CD2 3.7Å; Y402-H432 AromaticContact CE2-CE1 3.62Å; Y402-H432 AromaticContact CE2-CG 3.66Å; Y402-H432 AromaticContact CE2-ND1 3.61Å; Y402-H432 AromaticContact CE2-NE2 3.68Å; F409-H432 AromaticContact CE2-NE2 3.79Å; Q412-H432 PolarHBondContact OE1-CE1 2.88Å; Q412-H432 PolarHBondContact OE1-NE2 3.16Å; T416-H432 HydrophobicContact CG2-CB 3.74Å; T416-H432 WeakPolarHBondContact CG2-O 3.28Å; T416-H432 PolarHBondContact OG1-CD2 2.75Å; T416-H432 VanDerWaalsContact OG1-CD2 3.28Å; F422-H432 HydrophobicContact CE1-CB 4.16Å; F422-H432 HydrophobicContact CZ-CB 4.12Å; G429-H432 WeakPolarHBondContact O-CB 3.43Å; G429-H432 PolarHBondContact O-N 2.81Å; G429-H432 PolarHBondContact O-ND1 3.36Å; L430-H432 PolarHBondContact O-N 3.1Å; L430-H432 VanDerWaalsContact O-N 3.1Å; H432-L434 PolarHBondContact O-N 3.27Å; H432-F435 PolarHBondContact O-N 3.43Å
433	L	98.4	Very high	97.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-54.3	-24.4	173.2	75.1	82.1	0	0	0	113.6	L430 T431 F435 L436 V442 Y454 L457 A458 R461	L430-L433 VanDerWaalsContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CB 3.4Å; L430-L433 VanDerWaalsContact O-CD2 3.29Å; L430-L433 WeakPolarHBondContact O-CD2 3.2Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.34Å; T431-L433 PolarHBondContact O-N 2.94Å; L433-F435 PolarHBondContact O-N 2.95Å; L433-L436 HydrophobicContact CB-CD1 3.99Å; L433-L436 PolarHBondContact O-N 3.17Å; L433-V442 HydrophobicContact CB-CB 4.46Å; L433-V442 HydrophobicContact CB-CG2 4.34Å; L433-Y454 HydrophobicContact CD2-CD1 4.03Å; L433-L457 HydrophobicContact CD1-CB 4.34Å; L433-L457 HydrophobicContact CD1-CD2 4.15Å; L433-L457 HydrophobicContact CD1-CG 3.86Å; L433-L457 HydrophobicContact CD2-CB 4.44Å; L433-L457 HydrophobicContact CD2-CD2 4.22Å; L433-L457 HydrophobicContact CD2-CG 4.47Å; L433-L457 HydrophobicContact CG-CD2 4.15Å; L433-L457 HydrophobicContact CG-CG 4.4Å; L433-A458 HydrophobicContact CD1-CB 4.33Å; L433-A458 HydrophobicContact CD2-CB 4.4Å; L433-R461 HydrophobicContact CD1-CB 4.27Å
434	L	98.4	Very high	97.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-59.7	-28.7	173.5	-69.5	175.3	0	0	0	112.9	F250 I254 F327 F342 F345 S346 T431 H432 L457 R461	F250-L434 HydrophobicContact CB-CD1 4.26Å; F250-L434 HydrophobicContact CD1-CD1 4.2Å; F250-L434 HydrophobicContact CG-CD1 4.44Å; I254-L434 HydrophobicContact CD1-CD1 4.04Å; I254-L434 HydrophobicContact CD1-CD2 4.46Å; F327-L434 HydrophobicContact CE2-CD1 4.29Å; F342-L434 HydrophobicContact CD1-CD2 3.93Å; F345-L434 HydrophobicContact CE1-CD1 4.35Å; S346-L434 WeakPolarHBondContact CB-O 3.32Å; S346-L434 PolarHBondContact OG-O 3.45Å; T431-L434 HydrophobicContact CG2-CD1 3.84Å; T431-L434 WeakPolarHBondContact O-CB 3.27Å; T431-L434 WeakPolarHBondContact O-CG 3.11Å; T431-L434 PolarHBondContact O-N 2.84Å; T431-L434 VanDerWaalsContact O-N 3.09Å; H432-L434 PolarHBondContact O-N 3.27Å; L434-L457 HydrophobicContact CD2-CD1 3.85Å; L434-L457 HydrophobicContact CD2-CD2 4.47Å; L434-L457 HydrophobicContact CD2-CG 4.1Å; L434-L457 HydrophobicContact CG-CD1 4.49Å; L434-L457 HydrophobicContact CG-CD2 4.33Å; L434-L457 HydrophobicContact CG-CG 4.48Å; L434-R461 HydrophobicContact CD2-CB 4.31Å; L434-R461 WeakPolarHBondContact O-CD 3.38Å; L434-R461 PolarHBondContact O-NE 2.96Å
435	F	98.6	Very high	97	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-107.9	2.8	-172.2	-58.1	-64	0	0	0	113.6	M246 F250 F345 V349 L350 L413 T416 H417 H432 L433	M246-F435 HydrophobicContact CE-CD2 4.15Å; M246-F435 HydrophobicContact CE-CE2 3.83Å; F250-F435 HydrophobicContact CD1-CE2 4.13Å; F250-F435 AromaticContact CD1-CZ 3.99Å; F250-F435 HydrophobicContact CD1-CZ 3.99Å; F250-F435 AromaticContact CE1-CE2 3.6Å; F250-F435 HydrophobicContact CE1-CE2 3.6Å; F250-F435 AromaticContact CE1-CZ 3.39Å; F250-F435 HydrophobicContact CE1-CZ 3.39Å; F250-F435 AromaticContact CZ-CE2 3.98Å; F250-F435 HydrophobicContact CZ-CE2 3.98Å; F250-F435 HydrophobicContact CZ-CZ 4.12Å; F345-F435 HydrophobicContact CE1-CE1 4.36Å; F345-F435 HydrophobicContact CE1-CZ 4.13Å; V349-F435 HydrophobicContact CB-CE1 4.01Å; V349-F435 HydrophobicContact CG1-CE1 3.85Å; V349-F435 HydrophobicContact CG1-CZ 4.2Å; L350-F435 HydrophobicContact CD1-CD1 4.16Å; L350-F435 HydrophobicContact CD2-CB 4.32Å; L350-F435 HydrophobicContact CD2-CD1 4.01Å; L350-F435 HydrophobicContact CD2-CG 4.47Å; L350-F435 HydrophobicContact CG-CD1 3.88Å; L413-F435 HydrophobicContact CD2-CB 4.14Å; L413-F435 HydrophobicContact CD2-CD1 4.37Å; L413-F435 HydrophobicContact CD2-CD2 3.36Å; L413-F435 HydrophobicContact CD2-CE2 3.83Å; L413-F435 HydrophobicContact CD2-CG 3.68Å; T416-F435 HydrophobicContact CG2-CB 3.91Å; H417-F435 VanDerWaalsContact CA-O 3.31Å; H417-F435 WeakPolarHBondContact CA-O 3.47Å; H417-F435 PolarHBondContact ND1-O 3.15Å; H432-F435 PolarHBondContact O-N 3.43Å; L433-F435 PolarHBondContact O-N 2.95Å
436	L	98.5	Very high	97	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-62.5	151.2	171	-67.8	171.2	0	0	0	110.8	T416 T419 F422 L433 A440 V442 R461 I463	T416-L436 HydrophobicContact CG2-CD2 4.04Å; T416-L436 HydrophobicContact CG2-CG 4.32Å; T416-L436 WeakPolarHBondContact O-CD2 3.15Å; T419-L436 HydrophobicContact CG2-CD2 4.2Å; F422-L436 HydrophobicContact CB-CD1 3.92Å; F422-L436 HydrophobicContact CB-CD2 3.72Å; F422-L436 HydrophobicContact CB-CG 4.45Å; F422-L436 HydrophobicContact CG-CD2 4.21Å; L433-L436 HydrophobicContact CB-CD1 3.99Å; L433-L436 PolarHBondContact O-N 3.17Å; L436-A440 HydrophobicContact CB-CB 3.78Å; L436-A440 HydrophobicContact CD1-CB 4.31Å; L436-A440 HydrophobicContact CD2-CB 4.41Å; L436-A440 HydrophobicContact CG-CB 4.39Å; L436-V442 HydrophobicContact CD1-CB 4.21Å; L436-R461 PolarHBondContact O-NH2 2.79Å; L436-I463 HydrophobicContact CB-CD1 4.2Å; L436-I463 HydrophobicContact CB-CG1 4.49Å; L436-I463 HydrophobicContact CD1-CG2 4.08Å
437	P	96.6	Very high	96.8	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.019	5%	0.046	C	C	.	.			trans	-65.4	154.9	172.5	28.9	-33	0	0	0	110.5	T419 W439 A440 I463	T419-P437 WeakPolarHBondContact O-CD 3.27Å; T419-P437 VanDerWaalsContact O-CG 3.28Å; T419-P437 WeakPolarHBondContact O-CG 3.18Å; P437-W439 HydrophobicContact CB-CD2 3.89Å; P437-W439 HydrophobicContact CB-CE3 4.18Å; P437-W439 HydrophobicContact CB-CH2 3.9Å; P437-W439 HydrophobicContact CB-CZ2 3.55Å; P437-W439 HydrophobicContact CB-CZ3 4.18Å; P437-W439 HydrophobicContact CG-CD2 4.29Å; P437-W439 HydrophobicContact CG-CZ2 3.9Å; P437-W439 PolarHBondContact O-N 3.46Å; P437-A440 HydrophobicContact CG-CB 3.99Å; P437-A440 VanDerWaalsContact O-CB 3.26Å; P437-A440 WeakPolarHBondContact O-CB 3.48Å; P437-A440 PolarHBondContact O-N 3.41Å; P437-I463 WeakPolarHBondContact O-CD1 3.49Å
438	D	94.7	Very high	96.7	Very high	27 Å²	27	7.2 Å²	7.2	14%	0.144	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.2	-171.4	-74.7	-10	0	0	0	114.6	R343 R461 H515 K517	R343-D438 IonicContact CZ-OD2 3.32Å; R343-D438 IonicContact NE-OD1 3.41Å; R343-D438 IonicContact NE-OD2 3.77Å; R343-D438 PolarHBondContact NE-OD2 3.03Å; R343-D438 IonicContact NH2-OD2 3.82Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 2.79Å; D438-R461 PolarHBondContact OD1-NH1 3.32Å; D438-R461 IonicContact OD1-NH2 2.7Å; D438-R461 PolarHBondContact OD1-NH2 2.73Å; D438-H515 PolarHBondContact O-NE2 3.3Å; D438-K517 HydrophobicContact CB-CD 4.14Å; D438-K517 IonicContact OD2-NZ 3.76Å; D438-K517 PolarHBondContact OD2-NZ 2.71Å
439	W	95.5	Very high	96.4	Very high	12 Å²	12	13.3 Å²	13.3	5%	0.045	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.3	178.3	57.3	77.4	0	0	0	114.2	Q357 P360 D420 P437 V512 H515 K517 W518	Q357-W439 VanDerWaalsContact CD-CH2 3.45Å; Q357-W439 HydrophobicContact CG-CH2 4.32Å; Q357-W439 VanDerWaalsContact NE2-CZ2 3.32Å; P360-W439 HydrophobicContact CG-CH2 4.21Å; P360-W439 HydrophobicContact CG-CZ2 4.15Å; D420-W439 PolarHBondContact OD1-NE1 3.3Å; P437-W439 HydrophobicContact CB-CD2 3.89Å; P437-W439 HydrophobicContact CB-CE3 4.18Å; P437-W439 HydrophobicContact CB-CH2 3.9Å; P437-W439 HydrophobicContact CB-CZ2 3.55Å; P437-W439 HydrophobicContact CB-CZ3 4.18Å; P437-W439 HydrophobicContact CG-CD2 4.29Å; P437-W439 HydrophobicContact CG-CZ2 3.9Å; P437-W439 PolarHBondContact O-N 3.46Å; W439-V512 WeakPolarHBondContact O-CG2 3.43Å; W439-H515 HydrophobicContact CB-CB 3.77Å; W439-H515 WeakPolarHBondContact CB-ND1 3.02Å; W439-K517 HydrophobicContact CE3-CB 4.21Å; W439-W518 AromaticContact CD1-CE3 3.46Å; W439-W518 VanDerWaalsContact CD1-CE3 3.46Å; W439-W518 AromaticContact CD1-CZ3 3.7Å; W439-W518 AromaticContact CD2-CE3 3.97Å; W439-W518 HydrophobicContact CD2-CE3 3.97Å; W439-W518 HydrophobicContact CD2-CZ3 4.47Å; W439-W518 AromaticContact CE2-CE3 3.74Å; W439-W518 AromaticContact CE2-CZ3 3.78Å; W439-W518 AromaticContact CG-CE3 3.78Å; W439-W518 HydrophobicContact CG-CE3 3.78Å; W439-W518 HydrophobicContact CG-CZ3 4.4Å; W439-W518 HydrophobicContact CZ2-CE3 4.45Å; W439-W518 HydrophobicContact CZ2-CZ3 4.3Å; W439-W518 AromaticContact NE1-CE3 3.44Å; W439-W518 AromaticContact NE1-CZ3 3.28Å; W439-W518 VanDerWaalsContact NE1-CZ3 3.28Å
440	A	97.3	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.			trans	-71.9	163.6	-170.4	0	0	0	0	0	112.9	D420 L436 P437 I463 H464	D420-A440 CarbonylContact O-C 3.22Å; D420-A440 WeakPolarHBondContact O-CA 3.27Å; D420-A440 WeakPolarHBondContact O-CB 3.41Å; L436-A440 HydrophobicContact CB-CB 3.78Å; L436-A440 HydrophobicContact CD1-CB 4.31Å; L436-A440 HydrophobicContact CD2-CB 4.41Å; L436-A440 HydrophobicContact CG-CB 4.39Å; P437-A440 HydrophobicContact CG-CB 3.99Å; P437-A440 VanDerWaalsContact O-CB 3.26Å; P437-A440 WeakPolarHBondContact O-CB 3.48Å; P437-A440 PolarHBondContact O-N 3.41Å; A440-I463 WeakPolarHBondContact O-CG2 3.35Å; A440-H464 PolarHBondContact O-N 3.27Å
441	A	98.3	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.8	166.6	0	0	0	0	0	110.9	D420 I421 F422 H464 A508	D420-A441 PolarHBondContact O-N 3.22Å; I421-A441 WeakPolarHBondContact CA-O 3.43Å; F422-A441 PolarHBondContact N-O 3.3Å; A441-H464 CarbonylContact C-O 3.44Å; A441-H464 VanDerWaalsContact CA-O 3.3Å; A441-H464 WeakPolarHBondContact CA-O 3.38Å; A441-H464 HydrophobicContact CB-CB 4.26Å; A441-A508 HydrophobicContact CB-CB 3.87Å
442	V	98.5	Very high	95.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.5	169.2	64.4	0	0	0	0	109.7	F422 L430 L433 L436 A458 I463 H464 Y465 I466	F422-V442 HydrophobicContact CD1-CG2 4.29Å; F422-V442 CarbonylContact O-C 3.59Å; F422-V442 VanDerWaalsContact O-CA 3.32Å; F422-V442 WeakPolarHBondContact O-CA 3.44Å; L430-V442 HydrophobicContact CD2-CG2 4.25Å; L433-V442 HydrophobicContact CB-CB 4.46Å; L433-V442 HydrophobicContact CB-CG2 4.34Å; L436-V442 HydrophobicContact CD1-CB 4.21Å; V442-A458 HydrophobicContact CG1-CB 4.23Å; V442-I463 HydrophobicContact CB-CG2 4.39Å; V442-I463 HydrophobicContact CG1-CG2 4.14Å; V442-H464 PolarHBondContact N-O 3.33Å; V442-Y465 HydrophobicContact CG1-CD2 3.82Å; V442-Y465 HydrophobicContact CG1-CG 4.42Å; V442-I466 PolarHBondContact O-N 3.04Å
443	F	98.5	Very high	95	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	103.6	173.7	-176	-175.8	0	0	0	109.5	F422 I423 G424 L445 I466 W468 F501 L504 V505	F422-F443 PolarHBondContact O-N 2.92Å; I423-F443 WeakPolarHBondContact CA-O 3.44Å; I423-F443 HydrophobicContact CB-CB 4.48Å; I423-F443 HydrophobicContact CG1-CB 4.15Å; I423-F443 HydrophobicContact CG1-CD1 4.5Å; I423-F443 HydrophobicContact CG2-CB 4.32Å; I423-F443 HydrophobicContact CG2-CD1 4.17Å; I423-F443 HydrophobicContact CG2-CG 4.39Å; G424-F443 PolarHBondContact N-O 3.36Å; F443-L445 HydrophobicContact CD1-CD2 4.5Å; F443-L445 HydrophobicContact CE1-CD2 4.08Å; F443-L445 HydrophobicContact CE2-CD2 4.29Å; F443-L445 HydrophobicContact CZ-CD2 3.95Å; F443-L445 PolarHBondContact O-N 3.32Å; F443-I466 WeakPolarHBondContact CA-O 3.46Å; F443-I466 HydrophobicContact CD2-CB 4.48Å; F443-I466 HydrophobicContact CD2-CG2 4.24Å; F443-I466 WeakPolarHBondContact CD2-O 3.4Å; F443-W468 AromaticContact CE2-CD1 3.98Å; F443-W468 AromaticContact CE2-NE1 3.68Å; F443-W468 HydrophobicContact CZ-CD2 4.4Å; F443-W468 AromaticContact CZ-CE2 3.76Å; F443-W468 AromaticContact CZ-CZ2 3.97Å; F443-W468 HydrophobicContact CZ-CZ2 3.97Å; F443-W468 AromaticContact CZ-NE1 3.72Å; F443-F501 HydrophobicContact CD1-CD2 4.36Å; F443-F501 HydrophobicContact CD1-CE2 4.16Å; F443-F501 AromaticContact CE1-CD2 3.54Å; F443-F501 HydrophobicContact CE1-CD2 3.54Å; F443-F501 AromaticContact CE1-CE2 3.79Å; F443-F501 HydrophobicContact CE1-CE2 3.79Å; F443-F501 HydrophobicContact CZ-CD2 4.23Å; F443-L504 HydrophobicContact CE1-CB 3.96Å; F443-L504 HydrophobicContact CE1-CD1 4.36Å; F443-L504 HydrophobicContact CE2-CD1 4.1Å; F443-L504 HydrophobicContact CZ-CB 4.06Å; F443-L504 HydrophobicContact CZ-CD1 3.62Å; F443-V505 HydrophobicContact CD1-CG2 3.85Å; F443-V505 HydrophobicContact CE1-CG2 4.04Å
444	E	97.9	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	103.4	168.5	-179.7	165.9	-127.3	0	0	109.6	G424 H426 L430 Y446 N447 Y454 Y465 I466 T467	G424-E444 CarbonylContact O-C 3.58Å; G424-E444 WeakPolarHBondContact O-CA 3.45Å; H426-E444 WeakPolarHBondContact CA-OE1 3.22Å; H426-E444 HydrophobicContact CB-CG 4.46Å; H426-E444 WeakPolarHBondContact CB-OE1 3.46Å; H426-E444 IonicContact CE1-OE1 3.88Å; H426-E444 IonicContact CG-OE1 2.67Å; H426-E444 VanDerWaalsContact CG-OE1 3.25Å; H426-E444 IonicContact ND1-OE1 3.06Å; H426-E444 PolarHBondContact ND1-OE1 3.14Å; L430-E444 HydrophobicContact CD1-CB 3.99Å; L430-E444 HydrophobicContact CD1-CG 3.76Å; L430-E444 WeakPolarHBondContact CD1-OE1 3.34Å; E444-Y446 PolarHBondContact O-N 2.75Å; E444-N447 HydrophobicContact CG-CB 4.47Å; E444-N447 VanDerWaalsContact OE2-CB 3.23Å; E444-N447 WeakPolarHBondContact OE2-CB 3.04Å; E444-Y454 WeakPolarHBondContact OE1-CD2 3.47Å; E444-Y465 HydrophobicContact CB-CE2 3.74Å; E444-Y465 PolarHBondContact OE2-OH 2.78Å; E444-I466 PolarHBondContact N-O 2.85Å; E444-T467 WeakPolarHBondContact O-CB 3.38Å; E444-T467 PolarHBondContact O-OG1 3.3Å
445	L	96.4	Very high	94.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-60.5	-24.2	-177.3	-80.8	174.6	0	0	0	113.7	I379 I423 G424 M425 F443 W468 F496 F501	I379-L445 HydrophobicContact CD1-CD1 3.44Å; I379-L445 VanDerWaalsContact CD1-CD1 3.44Å; I379-L445 HydrophobicContact CG1-CD1 3.93Å; I423-L445 HydrophobicContact CG2-CD1 3.97Å; I423-L445 HydrophobicContact CG2-CD2 4.05Å; I423-L445 HydrophobicContact CG2-CG 3.77Å; G424-L445 PolarHBondContact O-N 3.37Å; M425-L445 HydrophobicContact CG-CB 4.33Å; M425-L445 HydrophobicContact CG-CD1 4.33Å; M425-L445 HydrophobicContact SD-CB 3.53Å; M425-L445 VanDerWaalsContact SD-CB 3.53Å; M425-L445 HydrophobicContact SD-CD1 4.32Å; F443-L445 HydrophobicContact CD1-CD2 4.5Å; F443-L445 HydrophobicContact CE1-CD2 4.08Å; F443-L445 HydrophobicContact CE2-CD2 4.29Å; F443-L445 HydrophobicContact CZ-CD2 3.95Å; F443-L445 PolarHBondContact O-N 3.32Å; L445-W468 VanDerWaalsContact C-NE1 3.35Å; L445-W468 HydrophobicContact CD2-CZ2 4.07Å; L445-W468 PolarHBondContact O-NE1 2.85Å; L445-F496 HydrophobicContact CB-CE1 4.24Å; L445-F496 HydrophobicContact CB-CE2 4.4Å; L445-F496 HydrophobicContact CB-CZ 4.02Å; L445-F496 HydrophobicContact CD1-CE2 4.31Å; L445-F496 HydrophobicContact CD2-CG 4.5Å; L445-F496 WeakPolarHBondContact O-CE1 3.35Å; L445-F501 HydrophobicContact CD2-CD2 3.82Å; L445-F501 HydrophobicContact CD2-CE2 3.83Å
446	Y	95	Very high	94.6	Very high	34 Å²	34	28.6 Å²	28.6	13%	0.133	14%	0.135	C	C	.	.			trans	-169.6	124.4	166.4	-178.3	-130.2	0	0	0	106.9	H426 E444 C448 V474 P489 Y494	H426-Y446 WeakPolarHBondContact CB-O 3.46Å; H426-Y446 PolarHBondContact N-O 3.25Å; E444-Y446 PolarHBondContact O-N 2.75Å; Y446-C448 HydrophobicContact CD1-CB 4.27Å; Y446-C448 VanDerWaalsContact CD1-SG 3.56Å; Y446-C448 VanDerWaalsContact CE1-CA 3.43Å; Y446-C448 HydrophobicContact CE1-CB 4.21Å; Y446-C448 PolarHBondContact O-N 3.3Å; Y446-V474 HydrophobicContact CD1-CG1 4.38Å; Y446-V474 HydrophobicContact CD2-CG1 3.97Å; Y446-V474 HydrophobicContact CD2-CG2 4.37Å; Y446-V474 HydrophobicContact CE2-CG1 4.38Å; Y446-V474 HydrophobicContact CG-CG1 3.98Å; Y446-P489 HydrophobicContact CE1-CB 4.12Å; Y446-Y494 HydrophobicContact CD1-CD1 4.14Å; Y446-Y494 HydrophobicContact CD1-CD2 4.42Å; Y446-Y494 AromaticContact CD1-CE1 3.6Å; Y446-Y494 HydrophobicContact CD1-CE1 3.6Å; Y446-Y494 AromaticContact CD1-CE2 3.92Å; Y446-Y494 HydrophobicContact CD1-CE2 3.92Å; Y446-Y494 AromaticContact CD1-CZ 3.49Å; Y446-Y494 VanDerWaalsContact CD1-CZ 3.49Å; Y446-Y494 HydrophobicContact CE1-CD1 4.48Å; Y446-Y494 AromaticContact CE1-CE1 3.55Å; Y446-Y494 HydrophobicContact CE1-CE1 3.55Å; Y446-Y494 HydrophobicContact CE1-CE2 4.26Å; Y446-Y494 AromaticContact CE1-CZ 3.43Å; Y446-Y494 VanDerWaalsContact CE1-CZ 3.43Å; Y446-Y494 VanDerWaalsContact CE1-OH 3.25Å; Y446-Y494 WeakPolarHBondContact CE1-OH 3.34Å
447	N	92.4	Very high	94.5	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.123	14%	0.136	C	C	.	.			trans	-74.6	-5.6	-178	61.6	25	0	0	0	113.9	H426 E444 E449 D450 E451	H426-N447 PolarHBondContact ND1-O 2.73Å; E444-N447 HydrophobicContact CG-CB 4.47Å; E444-N447 VanDerWaalsContact OE2-CB 3.23Å; E444-N447 WeakPolarHBondContact OE2-CB 3.04Å; N447-E449 PolarHBondContact O-N 2.97Å; N447-E449 PolarHBondContact OD1-N 2.75Å; N447-D450 WeakPolarHBondContact O-CB 3.29Å; N447-D450 PolarHBondContact O-N 3.45Å; N447-E451 WeakPolarHBondContact ND2-CB 3.39Å
448	C	91.1	Very high	94.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.6	-178.1	-59.8	0	0	0	0	113.3	Y446 D450 P489 K490	Y446-C448 HydrophobicContact CD1-CB 4.27Å; Y446-C448 VanDerWaalsContact CD1-SG 3.56Å; Y446-C448 VanDerWaalsContact CE1-CA 3.43Å; Y446-C448 HydrophobicContact CE1-CB 4.21Å; Y446-C448 PolarHBondContact O-N 3.3Å; C448-D450 PolarHBondContact O-N 3.24Å; C448-P489 HydrophobicContact CB-CB 4.12Å; C448-K490 HydrophobicContact CB-CG 3.53Å
449	E	89.3	Confident	94.6	Very high	152 Å²	152	28.3 Å²	28.3	71%	0.71	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	17	-178.1	-55.4	176.6	175.1	0	0	114.1	N447 P489	N447-E449 PolarHBondContact O-N 2.97Å; N447-E449 PolarHBondContact OD1-N 2.75Å; E449-P489 VanDerWaalsContact CD-CG 3.43Å; E449-P489 HydrophobicContact CG-CG 3.9Å
450	D	89.4	Confident	94.6	Very high	55 Å²	55	27.9 Å²	27.9	29%	0.294	13%	0.13	S	C	.	.			trans	-122.6	57.5	179.1	-167.6	-2.4	0	0	0	110.3	H426 N447 C448 R452 C453 K490	H426-D450 IonicContact CE1-OD2 2.98Å; H426-D450 IonicContact NE2-OD2 3.6Å; N447-D450 WeakPolarHBondContact O-CB 3.29Å; N447-D450 PolarHBondContact O-N 3.45Å; C448-D450 PolarHBondContact O-N 3.24Å; D450-R452 VanDerWaalsContact C-N 3.3Å; D450-R452 PolarHBondContact O-N 2.99Å; D450-C453 PolarHBondContact O-N 3.22Å; D450-C453 WeakPolarHBondContact OD1-CB 3.42Å; D450-K490 IonicContact OD2-NZ 3.42Å; D450-K490 PolarHBondContact OD2-NZ 3.15Å
451	E	88.2	Confident	94.6	Very high	102 Å²	102	28.1 Å²	28.1	48%	0.477	13%	0.131	S	C	.	.	H	α-helix	trans	-58	-40.5	-172.3	-174	-178.5	-178.1	0	0	113	N447 C453 L455	N447-E451 WeakPolarHBondContact ND2-CB 3.39Å; E451-C453 VanDerWaalsContact C-N 3.3Å; E451-C453 PolarHBondContact O-N 3.1Å; E451-L455 HydrophobicContact CG-CD2 4.2Å; E451-L455 WeakPolarHBondContact O-CB 3.48Å
452	R	90.6	Very high	94.4	Very high	103 Å²	103	29 Å²	29	39%	0.389	14%	0.14	S	C	.	.	H	α-helix	trans	-69.2	-27.7	-171.6	-65.8	-59	-59.8	-141.8	-14.1	113.1	D450 D456 R459	D450-R452 VanDerWaalsContact C-N 3.3Å; D450-R452 PolarHBondContact O-N 2.99Å; R452-D456 IonicContact CZ-OD1 2.72Å; R452-D456 IonicContact CZ-OD2 3.27Å; R452-D456 VanDerWaalsContact CZ-OD2 3.29Å; R452-D456 VanDerWaalsContact NE-CG 3.34Å; R452-D456 IonicContact NE-OD1 2.76Å; R452-D456 PolarHBondContact NE-OD1 2.8Å; R452-D456 IonicContact NE-OD2 2.93Å; R452-D456 PolarHBondContact NE-OD2 2.74Å; R452-D456 VanDerWaalsContact NH2-CG 3.31Å; R452-D456 IonicContact NH2-OD1 3.52Å; R452-D456 PolarHBondContact NH2-OD1 2.86Å; R452-D456 IonicContact NH2-OD2 2.72Å; R452-D456 PolarHBondContact NH2-OD2 3.06Å; R452-D456 WeakPolarHBondContact O-CB 3.2Å; R452-D456 PolarHBondContact O-N 3.01Å; R452-R459 VanDerWaalsContact NH2-NH1 3.14Å
453	C	91.6	Very high	94.3	Very high	18 Å²	18	29.1 Å²	29.1	12%	0.122	14%	0.141	C	C	.	.	H	α-helix	trans	-55.2	-62.6	-172	-173.7	0	0	0	0	113.4	Y247 D450 E451 L457	Y247-C453 PolarHBondContact OH-SG 3.45Å; D450-C453 PolarHBondContact O-N 3.22Å; D450-C453 WeakPolarHBondContact OD1-CB 3.42Å; E451-C453 VanDerWaalsContact C-N 3.3Å; E451-C453 PolarHBondContact O-N 3.1Å; C453-L457 PolarHBondContact O-N 3.29Å
454	Y	95.5	Very high	94.2	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-89	-23.6	-179.9	-64.6	-77.3	0	0	0	113.1	Y247 H426 G427 A428 L430 L433 E444 L457 A458	Y247-Y454 AromaticContact CD2-CE1 3.87Å; Y247-Y454 HydrophobicContact CD2-CE1 3.87Å; Y247-Y454 HydrophobicContact CE2-CE1 4.33Å; H426-Y454 AromaticContact CE1-CD2 3.72Å; H426-Y454 AromaticContact CE1-CE2 3.52Å; H426-Y454 AromaticContact ND1-CD2 3.43Å; H426-Y454 WeakPolarHBondContact ND1-CD2 2.96Å; H426-Y454 AromaticContact ND1-CE2 3.45Å; H426-Y454 WeakPolarHBondContact ND1-CE2 3.37Å; G427-Y454 VanDerWaalsContact O-CZ 3.3Å; G427-Y454 PolarHBondContact O-OH 3.38Å; A428-Y454 WeakPolarHBondContact CA-OH 3.13Å; A428-Y454 PolarHBondContact N-OH 3.05Å; L430-Y454 HydrophobicContact CB-CD1 3.57Å; L430-Y454 HydrophobicContact CB-CD2 4.38Å; L430-Y454 HydrophobicContact CB-CE1 3.58Å; L430-Y454 HydrophobicContact CB-CE2 4.41Å; L430-Y454 HydrophobicContact CB-CG 4Å; L430-Y454 HydrophobicContact CD1-CD2 4.12Å; L430-Y454 HydrophobicContact CD1-CG 4.19Å; L433-Y454 HydrophobicContact CD2-CD1 4.03Å; E444-Y454 WeakPolarHBondContact OE1-CD2 3.47Å; Y454-L457 HydrophobicContact CD1-CD2 4.36Å; Y454-L457 PolarHBondContact O-N 2.83Å; Y454-A458 VanDerWaalsContact O-CB 3.28Å; Y454-A458 WeakPolarHBondContact O-CB 3.45Å; Y454-A458 PolarHBondContact O-N 3.09Å
455	L	95.4	Very high	94.2	Very high	32 Å²	32	33.7 Å²	33.7	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-50.5	170	173.5	60.7	0	0	0	110.7	E451 L457 A458 R459 Y465	E451-L455 HydrophobicContact CG-CD2 4.2Å; E451-L455 WeakPolarHBondContact O-CB 3.48Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L455-L457 PolarHBondContact O-N 3.32Å; L455-A458 PolarHBondContact O-N 3.3Å; L455-R459 HydrophobicContact CD1-CG 4.2Å; L455-R459 WeakPolarHBondContact O-CB 3.45Å; L455-R459 WeakPolarHBondContact O-CG 3.38Å; L455-R459 PolarHBondContact O-N 3.17Å; L455-Y465 HydrophobicContact CB-CD1 4.36Å; L455-Y465 HydrophobicContact CB-CE1 4.16Å; L455-Y465 HydrophobicContact CB-CE2 4.48Å; L455-Y465 HydrophobicContact CD1-CD1 3.52Å; L455-Y465 HydrophobicContact CD1-CE1 4.01Å; L455-Y465 HydrophobicContact CD1-CG 3.94Å; L455-Y465 HydrophobicContact CG-CD1 4.5Å
456	D	95.7	Very high	94.2	Very high	28 Å²	28	34.3 Å²	34.3	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-36.8	-179.5	-76.1	-20.8	0	0	0	111.7	L332 R452 A458 R459 L460	L332-D456 HydrophobicContact CD1-CB 3.65Å; R452-D456 IonicContact CZ-OD1 2.72Å; R452-D456 IonicContact CZ-OD2 3.27Å; R452-D456 VanDerWaalsContact CZ-OD2 3.29Å; R452-D456 VanDerWaalsContact NE-CG 3.34Å; R452-D456 IonicContact NE-OD1 2.76Å; R452-D456 PolarHBondContact NE-OD1 2.8Å; R452-D456 IonicContact NE-OD2 2.93Å; R452-D456 PolarHBondContact NE-OD2 2.74Å; R452-D456 VanDerWaalsContact NH2-CG 3.31Å; R452-D456 IonicContact NH2-OD1 3.52Å; R452-D456 PolarHBondContact NH2-OD1 2.86Å; R452-D456 IonicContact NH2-OD2 2.72Å; R452-D456 PolarHBondContact NH2-OD2 3.06Å; R452-D456 WeakPolarHBondContact O-CB 3.2Å; R452-D456 PolarHBondContact O-N 3.01Å; D456-A458 PolarHBondContact O-N 2.97Å; D456-R459 PolarHBondContact O-N 2.93Å; D456-R459 IonicContact OD1-CZ 3.72Å; D456-R459 IonicContact OD1-NH1 3.69Å; D456-R459 PolarHBondContact OD1-NH1 3.16Å; D456-L460 WeakPolarHBondContact O-CB 3.27Å; D456-L460 VanDerWaalsContact O-CG 3.25Å; D456-L460 WeakPolarHBondContact O-CG 3.41Å; D456-L460 PolarHBondContact O-N 2.92Å
457	L	96.4	Very high	94.2	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-41	173.5	-166.9	63.7	0	0	0	112.2	Y247 F327 F342 T431 L433 L434 C453 Y454 L455 L460 R461	Y247-L457 HydrophobicContact CD2-CD2 4.33Å; Y247-L457 HydrophobicContact CE2-CD2 4.18Å; F327-L457 HydrophobicContact CD2-CD1 3.9Å; F327-L457 HydrophobicContact CE2-CD1 3.56Å; F327-L457 HydrophobicContact CE2-CD2 4.44Å; F327-L457 HydrophobicContact CZ-CD1 4.11Å; F327-L457 HydrophobicContact CZ-CD2 4.39Å; F342-L457 HydrophobicContact CD1-CD1 4.5Å; F342-L457 HydrophobicContact CE1-CD1 4.06Å; T431-L457 HydrophobicContact CG2-CD2 4.31Å; L433-L457 HydrophobicContact CD1-CB 4.34Å; L433-L457 HydrophobicContact CD1-CD2 4.15Å; L433-L457 HydrophobicContact CD1-CG 3.86Å; L433-L457 HydrophobicContact CD2-CB 4.44Å; L433-L457 HydrophobicContact CD2-CD2 4.22Å; L433-L457 HydrophobicContact CD2-CG 4.47Å; L433-L457 HydrophobicContact CG-CD2 4.15Å; L433-L457 HydrophobicContact CG-CG 4.4Å; L434-L457 HydrophobicContact CD2-CD1 3.85Å; L434-L457 HydrophobicContact CD2-CD2 4.47Å; L434-L457 HydrophobicContact CD2-CG 4.1Å; L434-L457 HydrophobicContact CG-CD1 4.49Å; L434-L457 HydrophobicContact CG-CD2 4.33Å; L434-L457 HydrophobicContact CG-CG 4.48Å; C453-L457 PolarHBondContact O-N 3.29Å; Y454-L457 HydrophobicContact CD1-CD2 4.36Å; Y454-L457 PolarHBondContact O-N 2.83Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L455-L457 PolarHBondContact O-N 3.32Å; L457-L460 PolarHBondContact O-N 3.43Å; L457-R461 WeakPolarHBondContact O-CB 3.43Å; L457-R461 PolarHBondContact O-N 3.21Å
458	A	96.9	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-41	175.9	0	0	0	0	0	111.7	L433 V442 Y454 L455 D456 R461 G462 I463 Y465	L433-A458 HydrophobicContact CD1-CB 4.33Å; L433-A458 HydrophobicContact CD2-CB 4.4Å; V442-A458 HydrophobicContact CG1-CB 4.23Å; Y454-A458 VanDerWaalsContact O-CB 3.28Å; Y454-A458 WeakPolarHBondContact O-CB 3.45Å; Y454-A458 PolarHBondContact O-N 3.09Å; L455-A458 PolarHBondContact O-N 3.3Å; D456-A458 PolarHBondContact O-N 2.97Å; A458-R461 PolarHBondContact O-N 2.88Å; A458-G462 WeakPolarHBondContact O-CA 3.31Å; A458-G462 PolarHBondContact O-N 2.96Å; A458-I463 PolarHBondContact O-N 2.75Å; A458-Y465 HydrophobicContact CB-CD2 4.09Å; A458-Y465 HydrophobicContact CB-CG 4.31Å
459	R	96.3	Very high	94.1	Very high	19 Å²	19	39.6 Å²	39.6	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-43.5	173.9	-70.1	169.4	64.9	-149.5	-1.3	111.8	I333 C336 Q337 N338 R452 L455 D456 G462	I333-R459 PolarHBondContact O-NH2 2.02Å; C336-R459 VanDerWaalsContact O-CZ 3.29Å; C336-R459 PolarHBondContact O-NE 2.97Å; C336-R459 PolarHBondContact O-NH2 2.88Å; Q337-R459 CarbonylContact C-O 3.48Å; Q337-R459 WeakPolarHBondContact CA-O 3.38Å; Q337-R459 HydrophobicContact CB-CB 4.12Å; Q337-R459 HydrophobicContact CB-CG 4.38Å; N338-R459 PolarHBondContact N-O 2.87Å; R452-R459 VanDerWaalsContact NH2-NH1 3.14Å; L455-R459 HydrophobicContact CD1-CG 4.2Å; L455-R459 WeakPolarHBondContact O-CB 3.45Å; L455-R459 WeakPolarHBondContact O-CG 3.38Å; L455-R459 PolarHBondContact O-N 3.17Å; D456-R459 PolarHBondContact O-N 2.93Å; D456-R459 IonicContact OD1-CZ 3.72Å; D456-R459 IonicContact OD1-NH1 3.69Å; D456-R459 PolarHBondContact OD1-NH1 3.16Å; R459-G462 PolarHBondContact O-N 2.91Å
460	L	96.5	Very high	94.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-50.5	174.9	-76.5	167.4	0	0	0	111	A119 L332 T339 F342 D456 L457 G462	A119-L460 HydrophobicContact CB-CD2 3.69Å; L332-L460 HydrophobicContact CD1-CD1 4.1Å; L332-L460 HydrophobicContact CD1-CD2 4.17Å; L332-L460 HydrophobicContact CD1-CG 3.91Å; L332-L460 HydrophobicContact CD2-CD2 3.82Å; L332-L460 HydrophobicContact CD2-CG 4.47Å; T339-L460 WeakPolarHBondContact CB-O 3.38Å; T339-L460 HydrophobicContact CG2-CD2 3.81Å; T339-L460 WeakPolarHBondContact CG2-O 3.49Å; T339-L460 PolarHBondContact N-O 3.09Å; T339-L460 PolarHBondContact OG1-O 3.49Å; F342-L460 HydrophobicContact CD1-CB 3.92Å; F342-L460 HydrophobicContact CD2-CB 4.02Å; F342-L460 HydrophobicContact CD2-CD2 4.16Å; F342-L460 HydrophobicContact CE1-CB 4.02Å; F342-L460 HydrophobicContact CE1-CD1 3.91Å; F342-L460 HydrophobicContact CE1-CG 4.48Å; F342-L460 HydrophobicContact CE2-CB 4.14Å; F342-L460 HydrophobicContact CE2-CD1 4.12Å; F342-L460 HydrophobicContact CE2-CD2 3.79Å; F342-L460 HydrophobicContact CE2-CG 4.25Å; F342-L460 HydrophobicContact CG-CB 3.93Å; F342-L460 HydrophobicContact CZ-CB 4.16Å; F342-L460 HydrophobicContact CZ-CD1 3.64Å; F342-L460 HydrophobicContact CZ-CD2 4.19Å; F342-L460 HydrophobicContact CZ-CG 4.22Å; D456-L460 WeakPolarHBondContact O-CB 3.27Å; D456-L460 VanDerWaalsContact O-CG 3.25Å; D456-L460 WeakPolarHBondContact O-CG 3.41Å; D456-L460 PolarHBondContact O-N 2.92Å; L457-L460 PolarHBondContact O-N 3.43Å; L460-G462 VanDerWaalsContact C-N 3.29Å; L460-G462 PolarHBondContact O-N 3.09Å
461	R	96.1	Very high	94	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-25.2	179.6	-179.6	58.1	-171.7	82.5	2.2	113.5	L433 L434 L436 D438 L457 A458 I463	L433-R461 HydrophobicContact CD1-CB 4.27Å; L434-R461 HydrophobicContact CD2-CB 4.31Å; L434-R461 WeakPolarHBondContact O-CD 3.38Å; L434-R461 PolarHBondContact O-NE 2.96Å; L436-R461 PolarHBondContact O-NH2 2.79Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 2.79Å; D438-R461 PolarHBondContact OD1-NH1 3.32Å; D438-R461 IonicContact OD1-NH2 2.7Å; D438-R461 PolarHBondContact OD1-NH2 2.73Å; L457-R461 WeakPolarHBondContact O-CB 3.43Å; L457-R461 PolarHBondContact O-N 3.21Å; A458-R461 PolarHBondContact O-N 2.88Å; R461-I463 HydrophobicContact CB-CG1 4.34Å; R461-I463 HydrophobicContact CG-CD1 4.47Å; R461-I463 HydrophobicContact CG-CG1 3.67Å
462	G	94.9	Very high	94.2	Very high	19 Å²	19	45.2 Å²	45.2	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	32.8	-174.3	0	0	0	0	0	113.8	A458 R459 L460	A458-G462 WeakPolarHBondContact O-CA 3.31Å; A458-G462 PolarHBondContact O-N 2.96Å; R459-G462 PolarHBondContact O-N 2.91Å; L460-G462 VanDerWaalsContact C-N 3.29Å; L460-G462 PolarHBondContact O-N 3.09Å
463	I	95.8	Very high	94.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	20%	0.203	C	C	.	.			trans	-101	141.8	175.9	-63.5	-60.8	0	0	0	109.5	L436 P437 A440 V442 A458 R461 Y465	L436-I463 HydrophobicContact CB-CD1 4.2Å; L436-I463 HydrophobicContact CB-CG1 4.49Å; L436-I463 HydrophobicContact CD1-CG2 4.08Å; P437-I463 WeakPolarHBondContact O-CD1 3.49Å; A440-I463 WeakPolarHBondContact O-CG2 3.35Å; V442-I463 HydrophobicContact CB-CG2 4.39Å; V442-I463 HydrophobicContact CG1-CG2 4.14Å; A458-I463 PolarHBondContact O-N 2.75Å; R461-I463 HydrophobicContact CB-CG1 4.34Å; R461-I463 HydrophobicContact CG-CD1 4.47Å; R461-I463 HydrophobicContact CG-CG1 3.67Å; I463-Y465 PolarHBondContact O-N 2.71Å
464	H	96.9	Very high	94.7	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.6	177.3	-174	64.1	0	0	0	110.8	A440 A441 V442 I466 H511	A440-H464 PolarHBondContact O-N 3.27Å; A441-H464 CarbonylContact C-O 3.44Å; A441-H464 VanDerWaalsContact CA-O 3.3Å; A441-H464 WeakPolarHBondContact CA-O 3.38Å; A441-H464 HydrophobicContact CB-CB 4.26Å; V442-H464 PolarHBondContact N-O 3.33Å; H464-I466 WeakPolarHBondContact NE2-CG1 3.06Å; H464-H511 VanDerWaalsContact CB-NE2 3.33Å; H464-H511 WeakPolarHBondContact CB-NE2 3.08Å; H464-H511 AromaticContact CD2-CG 3.69Å; H464-H511 AromaticContact CG-CD2 3.83Å; H464-H511 AromaticContact CG-CE1 3.82Å; H464-H511 AromaticContact CG-CG 3.69Å; H464-H511 AromaticContact CG-ND1 3.68Å; H464-H511 AromaticContact CG-NE2 3.92Å; H464-H511 AromaticContact ND1-ND1 3.85Å
465	Y	97.4	Very high	94.7	Very high	31 Å²	31	45.9 Å²	45.9	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.5	-176.8	174.5	-84.4	0	0	0	110.8	V442 E444 L455 A458 I463 T467	V442-Y465 HydrophobicContact CG1-CD2 3.82Å; V442-Y465 HydrophobicContact CG1-CG 4.42Å; E444-Y465 HydrophobicContact CB-CE2 3.74Å; E444-Y465 PolarHBondContact OE2-OH 2.78Å; L455-Y465 HydrophobicContact CB-CD1 4.36Å; L455-Y465 HydrophobicContact CB-CE1 4.16Å; L455-Y465 HydrophobicContact CB-CE2 4.48Å; L455-Y465 HydrophobicContact CD1-CD1 3.52Å; L455-Y465 HydrophobicContact CD1-CE1 4.01Å; L455-Y465 HydrophobicContact CD1-CG 3.94Å; L455-Y465 HydrophobicContact CG-CD1 4.5Å; A458-Y465 HydrophobicContact CB-CD2 4.09Å; A458-Y465 HydrophobicContact CB-CG 4.31Å; I463-Y465 PolarHBondContact O-N 2.71Å; Y465-T467 HydrophobicContact CE1-CG2 3.94Å
466	I	96.9	Very high	94.7	Very high	14 Å²	14	48 Å²	48	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	177.2	-57.4	173.4	0	0	0	108.9	V442 F443 E444 H464 L504 A508	V442-I466 PolarHBondContact O-N 3.04Å; F443-I466 WeakPolarHBondContact CA-O 3.46Å; F443-I466 HydrophobicContact CD2-CB 4.48Å; F443-I466 HydrophobicContact CD2-CG2 4.24Å; F443-I466 WeakPolarHBondContact CD2-O 3.4Å; E444-I466 PolarHBondContact N-O 2.85Å; H464-I466 WeakPolarHBondContact NE2-CG1 3.06Å; I466-L504 HydrophobicContact CG2-CB 4.16Å; I466-L504 HydrophobicContact CG2-CD2 4Å; I466-L504 HydrophobicContact CG2-CG 4.49Å; I466-A508 HydrophobicContact CD1-CB 3.45Å; I466-A508 VanDerWaalsContact CD1-CB 3.45Å
467	T	95.9	Very high	94.7	Very high	24 Å²	24	52 Å²	52	15%	0.147	25%	0.25	C	S	.	.			trans	-144.8	178.6	166.2	-162.9	0	0	0	0	109.7	E444 Y465 Q469	E444-T467 WeakPolarHBondContact O-CB 3.38Å; E444-T467 PolarHBondContact O-OG1 3.3Å; Y465-T467 HydrophobicContact CE1-CG2 3.94Å; T467-Q469 PolarHBondContact O-N 2.99Å
468	W	92.9	Very high	94.5	Very high	22 Å²	22	54.7 Å²	54.7	8%	0.083	27%	0.265	C	S	.	.			trans	-66.8	129.9	-176.3	-65.2	83.5	0	0	0	112.6	F443 L445 K473 V474 F496 D497 E500 F501 L504	F443-W468 AromaticContact CE2-CD1 3.98Å; F443-W468 AromaticContact CE2-NE1 3.68Å; F443-W468 HydrophobicContact CZ-CD2 4.4Å; F443-W468 AromaticContact CZ-CE2 3.76Å; F443-W468 AromaticContact CZ-CZ2 3.97Å; F443-W468 HydrophobicContact CZ-CZ2 3.97Å; F443-W468 AromaticContact CZ-NE1 3.72Å; L445-W468 VanDerWaalsContact C-NE1 3.35Å; L445-W468 HydrophobicContact CD2-CZ2 4.07Å; L445-W468 PolarHBondContact O-NE1 2.85Å; W468-K473 HydrophobicContact CE3-CB 3.87Å; W468-K473 HydrophobicContact CZ3-CB 3.85Å; W468-V474 HydrophobicContact CB-CG2 4.08Å; W468-V474 HydrophobicContact CD2-CG2 3.88Å; W468-V474 HydrophobicContact CE3-CG2 4.43Å; W468-V474 HydrophobicContact CG-CG2 3.65Å; W468-F496 AromaticContact CE2-CD1 3.67Å; W468-F496 HydrophobicContact CH2-CB 3.79Å; W468-F496 HydrophobicContact CH2-CD1 4.18Å; W468-F496 HydrophobicContact CH2-CG 4.4Å; W468-F496 HydrophobicContact CZ2-CB 3.65Å; W468-F496 AromaticContact CZ2-CD1 3.41Å; W468-F496 HydrophobicContact CZ2-CD1 3.41Å; W468-F496 VanDerWaalsContact CZ2-CD1 3.41Å; W468-F496 HydrophobicContact CZ2-CE1 4.4Å; W468-F496 AromaticContact CZ2-CG 3.8Å; W468-F496 HydrophobicContact CZ2-CG 3.8Å; W468-F496 AromaticContact NE1-CD1 3.78Å; W468-F496 AromaticContact NE1-CE1 3.96Å; W468-D497 WeakPolarHBondContact CH2-O 3.34Å; W468-D497 HydrophobicContact CZ3-CB 4.37Å; W468-E500 HydrophobicContact CE3-CB 4.31Å; W468-E500 HydrophobicContact CE3-CG 3.49Å; W468-E500 VanDerWaalsContact CE3-CG 3.49Å; W468-E500 HydrophobicContact CH2-CG 4.47Å; W468-E500 HydrophobicContact CZ3-CB 3.63Å; W468-E500 HydrophobicContact CZ3-CG 3.32Å; W468-F501 HydrophobicContact CH2-CB 3.75Å; W468-F501 HydrophobicContact CZ2-CB 4.23Å; W468-F501 HydrophobicContact CZ2-CD2 4.4Å; W468-L504 HydrophobicContact CD2-CD1 4.22Å; W468-L504 HydrophobicContact CE3-CD1 4.17Å
469	Q	88.4	Confident	94.1	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	29%	0.293	S	S	*	.	S	Bend	trans	-81.7	-25.4	174.6	-61.3	176.6	-1	0	0	111.8	T467 L504	T467-Q469 PolarHBondContact O-N 2.99Å; Q469-L504 HydrophobicContact CG-CD2 4.46Å
470	R	89.3	Confident	93.6	Very high	141 Å²	141	60.3 Å²	60.3	53%	0.532	29%	0.29	S	S	.	.			trans	-121.2	104.6	-174.3	-64.9	-178.8	-179.2	179.1	1.2	110.9	N472 K473	R470-N472 PolarHBondContact O-N 2.8Å; R470-K473 HydrophobicContact CB-CB 4.42Å; R470-K473 HydrophobicContact CB-CG 3.8Å; R470-K473 WeakPolarHBondContact O-CB 3.48Å; R470-K473 PolarHBondContact O-N 3.41Å
471	Q	87.4	Confident	93.1	Very high	166 Å²	166	65.5 Å²	65.5	78%	0.776	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.3	-178	-68.9	-173.7	-10.1	0	0	113.5	K473 V474	Q471-K473 PolarHBondContact O-N 2.69Å; Q471-K473 VanDerWaalsContact O-N 3.08Å; Q471-V474 PolarHBondContact O-N 2.81Å; Q471-V474 VanDerWaalsContact O-N 3.14Å
472	N	92.4	Very high	92.6	Very high	119 Å²	119	67.5 Å²	67.5	64%	0.636	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-71.4	2.9	176.4	71	-35.1	0	0	0	114.2	R470 F475	R470-N472 PolarHBondContact O-N 2.8Å; N472-F475 VanDerWaalsContact O-CE1 3.27Å; N472-F475 WeakPolarHBondContact O-CE1 3.33Å
473	K	95.4	Very high	91.8	Very high	47 Å²	47	72 Å²	72	20%	0.204	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-103.1	1.5	173.3	-61.5	-55.7	-152.7	158.3	0	113.3	W468 R470 Q471 D497 E500	W468-K473 HydrophobicContact CE3-CB 3.87Å; W468-K473 HydrophobicContact CZ3-CB 3.85Å; R470-K473 HydrophobicContact CB-CB 4.42Å; R470-K473 HydrophobicContact CB-CG 3.8Å; R470-K473 WeakPolarHBondContact O-CB 3.48Å; R470-K473 PolarHBondContact O-N 3.41Å; Q471-K473 PolarHBondContact O-N 2.69Å; Q471-K473 VanDerWaalsContact O-N 3.08Å; K473-D497 HydrophobicContact CB-CB 3.85Å; K473-D497 HydrophobicContact CD-CB 3.82Å; K473-D497 HydrophobicContact CG-CB 4.3Å; K473-D497 IonicContact NZ-OD1 3.92Å; K473-D497 IonicContact NZ-OD2 3.18Å; K473-D497 PolarHBondContact NZ-OD2 3.17Å; K473-D497 PolarHBondContact O-N 3.04Å; K473-D497 VanDerWaalsContact O-N 3.12Å; K473-E500 HydrophobicContact CB-CB 4.47Å; K473-E500 HydrophobicContact CB-CG 4.26Å; K473-E500 HydrophobicContact CG-CB 4.31Å; K473-E500 HydrophobicContact CG-CG 4.18Å
474	V	95.5	Very high	91.2	Very high	13 Å²	13	77.5 Å²	77.5	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.8	173.5	178.4	0	0	0	0	107.9	Y446 W468 Q471 P476 Y494 F496	Y446-V474 HydrophobicContact CD1-CG1 4.38Å; Y446-V474 HydrophobicContact CD2-CG1 3.97Å; Y446-V474 HydrophobicContact CD2-CG2 4.37Å; Y446-V474 HydrophobicContact CE2-CG1 4.38Å; Y446-V474 HydrophobicContact CG-CG1 3.98Å; W468-V474 HydrophobicContact CB-CG2 4.08Å; W468-V474 HydrophobicContact CD2-CG2 3.88Å; W468-V474 HydrophobicContact CE3-CG2 4.43Å; W468-V474 HydrophobicContact CG-CG2 3.65Å; Q471-V474 PolarHBondContact O-N 2.81Å; Q471-V474 VanDerWaalsContact O-N 3.14Å; V474-P476 WeakPolarHBondContact O-CD 3.39Å; V474-Y494 HydrophobicContact CG1-CD1 3.6Å; V474-Y494 HydrophobicContact CG1-CE1 4.07Å; V474-Y494 HydrophobicContact CG1-CG 4.5Å; V474-F496 HydrophobicContact CB-CE1 4.44Å; V474-F496 HydrophobicContact CG1-CD1 4.36Å; V474-F496 HydrophobicContact CG1-CE1 3.81Å; V474-F496 HydrophobicContact CG2-CD1 4.19Å; V474-F496 HydrophobicContact CG2-CE1 4.15Å
475	F	96.4	Very high	90.3	Very high	83 Å²	83	79.9 Å²	79.9	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.4	-172	-47.8	-66.8	0	0	0	110.2	N472 Y494 S495 D497	N472-F475 VanDerWaalsContact O-CE1 3.27Å; N472-F475 WeakPolarHBondContact O-CE1 3.33Å; F475-Y494 CarbonylContact O-C 3.59Å; F475-Y494 WeakPolarHBondContact O-CA 3.33Å; F475-S495 WeakPolarHBondContact CB-OG 3.48Å; F475-S495 WeakPolarHBondContact CD2-O 3.4Å; F475-S495 PolarHBondContact N-O 3.21Å; F475-S495 PolarHBondContact O-N 3.14Å; F475-D497 HydrophobicContact CE2-CB 4.01Å; F475-D497 HydrophobicContact CZ-CB 4.26Å
476	P	95.9	Very high	89.7	Confident	75 Å²	75	80.2 Å²	80.2	49%	0.487	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.3	174.8	29.2	-33.8	0	0	0	111	V474 D478 T492 N493 Y494	V474-P476 WeakPolarHBondContact O-CD 3.39Å; P476-D478 VanDerWaalsContact C-N 3.33Å; P476-D478 WeakPolarHBondContact CB-O 3.27Å; P476-T492 HydrophobicContact CB-CG2 4.08Å; P476-N493 CarbonylContact C-O 3.53Å; P476-Y494 HydrophobicContact CB-CD1 4.07Å; P476-Y494 HydrophobicContact CB-CE1 3.69Å
477	Q	95.8	Very high	89.4	Confident	112 Å²	112	85.6 Å²	85.6	52%	0.523	44%	0.435	S	S	.	.	S	Bend	trans	-64.6	-42	175.4	-173.5	178.9	11.1	0	0	111.2	L380 N493	L380-Q477 HydrophobicContact CD1-CB 3.95Å; L380-Q477 HydrophobicContact CD1-CG 4.14Å; Q477-N493 HydrophobicContact CB-CB 4.25Å; Q477-N493 WeakPolarHBondContact CB-O 3.2Å; Q477-N493 PolarHBondContact N-O 3.34Å; Q477-N493 PolarHBondContact OE1-ND2 2.69Å
478	D	91.7	Very high	89	Confident	62 Å²	62	86.6 Å²	86.6	33%	0.332	44%	0.438	S	S	.	.	S	Bend	trans	-153.9	-173.9	178.9	61.1	33.1	0	0	0	109.1	P476 G480 H481 T492	P476-D478 VanDerWaalsContact C-N 3.33Å; P476-D478 WeakPolarHBondContact CB-O 3.27Å; D478-G480 PolarHBondContact O-N 3.42Å; D478-G480 WeakPolarHBondContact OD1-CA 3.24Å; D478-G480 PolarHBondContact OD1-N 1.99Å; D478-H481 IonicContact OD1-CE1 2.67Å; D478-H481 IonicContact OD1-ND1 3.77Å; D478-H481 IonicContact OD2-CE1 2.74Å; D478-H481 PolarHBondContact OD2-CE1 3.01Å; D478-H481 IonicContact OD2-ND1 3.2Å; D478-T492 PolarHBondContact N-OG1 3.49Å; D478-T492 PolarHBondContact O-OG1 3.31Å; D478-T492 WeakPolarHBondContact OD1-CB 3.26Å; D478-T492 PolarHBondContact OD1-OG1 3.08Å
479	K	88.1	Confident	88.9	Confident	137 Å²	137	86.6 Å²	86.6	60%	0.596	44%	0.441	S	S	*	.	S	Bend	trans	-75.4	-3	-178.2	-57.9	-168	-180	-170.5	0	114.6	E487 H488	K479-E487 HydrophobicContact CB-CB 4.31Å; K479-E487 HydrophobicContact CB-CG 3.82Å; K479-E487 HydrophobicContact CD-CG 4.1Å; K479-E487 WeakPolarHBondContact CD-OE1 3.33Å; K479-E487 WeakPolarHBondContact CD-OE2 2.89Å; K479-E487 WeakPolarHBondContact CE-OE1 3.4Å; K479-E487 IonicContact NZ-OE1 3.59Å; K479-E487 PolarHBondContact NZ-OE1 3.27Å; K479-E487 IonicContact NZ-OE2 3.48Å; K479-H488 PolarHBondContact O-N 2.82Å
480	G	86.8	Confident	89	Confident	0 Å²	0	83 Å²	83	0%	0	42%	0.423	C	S	.	.			trans	75.1	150.5	-172.1	0	0	0	0	0	113	D478 E487 F491	D478-G480 PolarHBondContact O-N 3.42Å; D478-G480 WeakPolarHBondContact OD1-CA 3.24Å; D478-G480 PolarHBondContact OD1-N 1.99Å; G480-E487 WeakPolarHBondContact O-CA 3.4Å; G480-F491 WeakPolarHBondContact CA-O 3.16Å
481	H	85.7	Confident	89.1	Confident	112 Å²	112	78.5 Å²	78.5	52%	0.519	41%	0.407	S	S	.	.			trans	-138.5	83.8	-172.4	-55.9	94	0	0	0	110.4	D478 F491	D478-H481 IonicContact OD1-CE1 2.67Å; D478-H481 IonicContact OD1-ND1 3.77Å; D478-H481 IonicContact OD2-CE1 2.74Å; D478-H481 PolarHBondContact OD2-CE1 3.01Å; D478-H481 IonicContact OD2-ND1 3.2Å; H481-F491 PolarHBondContact N-O 2.7Å
482	H	84.7	Confident	89.5	Confident	46 Å²	46	70.7 Å²	70.7	21%	0.213	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-71	134.6	170.2	-165.3	-73.4	0	0	0	109.5	T484 L485 G486 H488 F491	H482-T484 PolarHBondContact CE1-OG1 3.1Å; H482-T484 PolarHBondContact ND1-N 3.07Å; H482-T484 VanDerWaalsContact ND1-N 3.15Å; H482-T484 PolarHBondContact ND1-OG1 2.9Å; H482-T484 PolarHBondContact O-N 3.09Å; H482-L485 HydrophobicContact CB-CB 3.81Å; H482-L485 PolarHBondContact ND1-N 2.87Å; H482-G486 WeakPolarHBondContact CB-O 3.44Å; H482-G486 PolarHBondContact N-O 2.96Å; H482-G486 PolarHBondContact O-N 2.89Å; H482-H488 HydrophobicContact CB-CB 4.06Å; H482-F491 HydrophobicContact CB-CD2 4.21Å; H482-F491 HydrophobicContact CB-CG 4.25Å; H482-F491 AromaticContact CD2-CD2 3.61Å; H482-F491 AromaticContact CD2-CE1 3.79Å; H482-F491 AromaticContact CD2-CE2 3.09Å; H482-F491 WeakPolarHBondContact CD2-CE2 3.36Å; H482-F491 AromaticContact CD2-CZ 3.16Å; H482-F491 WeakPolarHBondContact CD2-CZ 3.38Å; H482-F491 AromaticContact NE2-CE2 3.76Å; H482-F491 AromaticContact NE2-CZ 3.45Å; H482-F491 WeakPolarHBondContact NE2-CZ 3.4Å
483	P	78.3	Confident	89.7	Confident	115 Å²	115	65.9 Å²	65.9	75%	0.747	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.6	179.8	-28.8	34.7	0	0	0	115.5
484	T	82.8	Confident	89.8	Confident	117 Å²	117	63.9 Å²	63.9	72%	0.718	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-27.4	-175.6	57.2	0	0	0	0	115.3	H482	H482-T484 PolarHBondContact CE1-OG1 3.1Å; H482-T484 PolarHBondContact ND1-N 3.07Å; H482-T484 VanDerWaalsContact ND1-N 3.15Å; H482-T484 PolarHBondContact ND1-OG1 2.9Å; H482-T484 PolarHBondContact O-N 3.09Å
485	L	78.1	Confident	89.9	Confident	117 Å²	117	64.9 Å²	64.9	61%	0.613	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.9	-173.7	-61.5	173.4	0	0	0	112.8	H482	H482-L485 HydrophobicContact CB-CB 3.81Å; H482-L485 PolarHBondContact ND1-N 2.87Å
486	G	85.8	Confident	89.9	Confident	38 Å²	38	61 Å²	61	39%	0.392	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	76.7	-137.4	-176.4	0	0	0	0	0	112.6	H482 H488	H482-G486 WeakPolarHBondContact CB-O 3.44Å; H482-G486 PolarHBondContact N-O 2.96Å; H482-G486 PolarHBondContact O-N 2.89Å; G486-H488 PolarHBondContact O-N 3.09Å
487	E	90.1	Very high	90.1	Very high	126 Å²	126	58.8 Å²	58.8	59%	0.589	31%	0.311	S	S	*	.	S	Bend	trans	-59.2	121.9	179.4	-62.2	179.9	-177.1	0	0	110.2	K479 G480	K479-E487 HydrophobicContact CB-CB 4.31Å; K479-E487 HydrophobicContact CB-CG 3.82Å; K479-E487 HydrophobicContact CD-CG 4.1Å; K479-E487 WeakPolarHBondContact CD-OE1 3.33Å; K479-E487 WeakPolarHBondContact CD-OE2 2.89Å; K479-E487 WeakPolarHBondContact CE-OE1 3.4Å; K479-E487 IonicContact NZ-OE1 3.59Å; K479-E487 PolarHBondContact NZ-OE1 3.27Å; K479-E487 IonicContact NZ-OE2 3.48Å; G480-E487 WeakPolarHBondContact O-CA 3.4Å
488	H	88.5	Confident	90.2	Very high	46 Å²	46	55.7 Å²	55.7	21%	0.213	30%	0.3	C	S	.	.			trans	-152.8	125.1	-175.9	-166.1	-61.3	0	0	0	111.8	K479 H482 G486 K490 F491	K479-H488 PolarHBondContact O-N 2.82Å; H482-H488 HydrophobicContact CB-CB 4.06Å; G486-H488 PolarHBondContact O-N 3.09Å; H488-K490 VanDerWaalsContact C-N 3.29Å; H488-K490 PolarHBondContact ND1-N 3.1Å; H488-K490 VanDerWaalsContact ND1-N 3.13Å; H488-K490 PolarHBondContact O-N 3.14Å; H488-K490 VanDerWaalsContact O-N 3.15Å; H488-F491 HydrophobicContact CB-CD2 4.02Å; H488-F491 AromaticContact CG-CD2 3.94Å; H488-F491 AromaticContact ND1-CD2 3.78Å; H488-F491 PolarHBondContact O-N 2.61Å
489	P	89.1	Confident	90.4	Very high	21 Å²	21	60.3 Å²	60.3	14%	0.136	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.6	-34.6	-175.4	-24.2	29.9	0	0	0	114.7	Y446 C448 E449 F491 Y494	Y446-P489 HydrophobicContact CE1-CB 4.12Å; C448-P489 HydrophobicContact CB-CB 4.12Å; E449-P489 VanDerWaalsContact CD-CG 3.43Å; E449-P489 HydrophobicContact CG-CG 3.9Å; P489-F491 PolarHBondContact O-N 3.08Å; P489-F491 VanDerWaalsContact O-N 3.13Å; P489-Y494 VanDerWaalsContact CA-OH 3.31Å; P489-Y494 WeakPolarHBondContact CA-OH 3.35Å; P489-Y494 WeakPolarHBondContact CB-OH 3.05Å; P489-Y494 WeakPolarHBondContact O-CE2 3.28Å; P489-Y494 PolarHBondContact O-OH 2.04Å
490	K	90.9	Very high	90.9	Very high	49 Å²	49	54.6 Å²	54.6	21%	0.213	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-65.4	-11.4	175.9	-62.3	178.9	-177.4	179	0	115	Y376 R377 C448 D450 H488	Y376-K490 WeakPolarHBondContact CB-O 3.02Å; R377-K490 PolarHBondContact NE-O 3Å; C448-K490 HydrophobicContact CB-CG 3.53Å; D450-K490 IonicContact OD2-NZ 3.42Å; D450-K490 PolarHBondContact OD2-NZ 3.15Å; H488-K490 VanDerWaalsContact C-N 3.29Å; H488-K490 PolarHBondContact ND1-N 3.1Å; H488-K490 VanDerWaalsContact ND1-N 3.13Å; H488-K490 PolarHBondContact O-N 3.14Å; H488-K490 VanDerWaalsContact O-N 3.15Å
491	F	92.8	Very high	91.5	Very high	47 Å²	47	54.6 Å²	54.6	21%	0.206	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-117	31.5	-172.9	-68	-100.4	0	0	0	112.9	Y376 G480 H481 H482 H488 P489	Y376-F491 HydrophobicContact CD1-CB 4.35Å; Y376-F491 WeakPolarHBondContact CD1-O 3.14Å; Y376-F491 AromaticContact CD2-CD1 3.81Å; Y376-F491 HydrophobicContact CD2-CD1 3.81Å; Y376-F491 HydrophobicContact CD2-CE1 4.43Å; Y376-F491 HydrophobicContact CD2-CG 4.45Å; Y376-F491 HydrophobicContact CE1-CB 4.39Å; Y376-F491 VanDerWaalsContact CE1-O 3.29Å; Y376-F491 WeakPolarHBondContact CE1-O 3.46Å; Y376-F491 AromaticContact CE2-CD1 3.6Å; Y376-F491 HydrophobicContact CE2-CD1 3.6Å; Y376-F491 HydrophobicContact CE2-CE1 4.25Å; Y376-F491 HydrophobicContact CE2-CG 4.5Å; Y376-F491 HydrophobicContact CG-CB 4.4Å; Y376-F491 HydrophobicContact CG-CD1 4.49Å; G480-F491 WeakPolarHBondContact CA-O 3.16Å; H481-F491 PolarHBondContact N-O 2.7Å; H482-F491 HydrophobicContact CB-CD2 4.21Å; H482-F491 HydrophobicContact CB-CG 4.25Å; H482-F491 AromaticContact CD2-CD2 3.61Å; H482-F491 AromaticContact CD2-CE1 3.79Å; H482-F491 AromaticContact CD2-CE2 3.09Å; H482-F491 WeakPolarHBondContact CD2-CE2 3.36Å; H482-F491 AromaticContact CD2-CZ 3.16Å; H482-F491 WeakPolarHBondContact CD2-CZ 3.38Å; H482-F491 AromaticContact NE2-CE2 3.76Å; H482-F491 AromaticContact NE2-CZ 3.45Å; H482-F491 WeakPolarHBondContact NE2-CZ 3.4Å; H488-F491 HydrophobicContact CB-CD2 4.02Å; H488-F491 AromaticContact CG-CD2 3.94Å; H488-F491 AromaticContact ND1-CD2 3.78Å; H488-F491 PolarHBondContact O-N 2.61Å; P489-F491 PolarHBondContact O-N 3.08Å; P489-F491 VanDerWaalsContact O-N 3.13Å
492	T	94.4	Very high	92.1	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.276	C	S	.	.	S	Bend	trans	-137.2	174.4	169.4	-165.6	0	0	0	0	110.9	R377 P476 D478 Y494	R377-T492 WeakPolarHBondContact CA-O 3.17Å; R377-T492 PolarHBondContact N-O 2.91Å; P476-T492 HydrophobicContact CB-CG2 4.08Å; D478-T492 PolarHBondContact N-OG1 3.49Å; D478-T492 PolarHBondContact O-OG1 3.31Å; D478-T492 WeakPolarHBondContact OD1-CB 3.26Å; D478-T492 PolarHBondContact OD1-OG1 3.08Å; T492-Y494 HydrophobicContact CG2-CD2 4.29Å; T492-Y494 HydrophobicContact CG2-CE1 4.04Å; T492-Y494 HydrophobicContact CG2-CE2 3.47Å; T492-Y494 VanDerWaalsContact CG2-CE2 3.47Å; T492-Y494 WeakPolarHBondContact CG2-OH 3.3Å
493	N	96.4	Very high	92.7	Very high	18 Å²	18	53.8 Å²	53.8	10%	0.096	29%	0.287	C	S	.	.			trans	-107.8	165	173.2	-58.6	-54.9	0	0	0	110.5	E375 Y376 R377 K378 L380 P476 Q477	E375-N493 PolarHBondContact O-OD1 2.8Å; Y376-N493 VanDerWaalsContact C-OD1 3.29Å; Y376-N493 WeakPolarHBondContact CA-OD1 3.37Å; R377-N493 PolarHBondContact N-OD1 3.25Å; R377-N493 VanDerWaalsContact N-OD1 3.11Å; K378-N493 HydrophobicContact CB-CB 4.28Å; K378-N493 WeakPolarHBondContact CB-OD1 3.4Å; K378-N493 WeakPolarHBondContact CG-OD1 3.22Å; K378-N493 PolarHBondContact N-OD1 2.88Å; L380-N493 HydrophobicContact CD1-CB 4.23Å; L380-N493 HydrophobicContact CD2-CB 3.85Å; L380-N493 HydrophobicContact CG-CB 3.97Å; P476-N493 CarbonylContact C-O 3.53Å; Q477-N493 HydrophobicContact CB-CB 4.25Å; Q477-N493 WeakPolarHBondContact CB-O 3.2Å; Q477-N493 PolarHBondContact N-O 3.34Å; Q477-N493 PolarHBondContact OE1-ND2 2.69Å
494	Y	97.2	Very high	93.6	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.5	-170	-66.8	-90.1	0	0	0	112.2	K378 I379 L380 M425 Y446 V474 F475 P476 P489 T492 F496	K378-Y494 PolarHBondContact O-N 2.96Å; I379-Y494 CarbonylContact C-O 3.59Å; L380-Y494 PolarHBondContact N-O 3.18Å; M425-Y494 HydrophobicContact CE-CD2 3.49Å; M425-Y494 VanDerWaalsContact CE-CD2 3.49Å; M425-Y494 HydrophobicContact CE-CE2 4.16Å; M425-Y494 HydrophobicContact CE-CG 4.07Å; Y446-Y494 HydrophobicContact CD1-CD1 4.14Å; Y446-Y494 HydrophobicContact CD1-CD2 4.42Å; Y446-Y494 AromaticContact CD1-CE1 3.6Å; Y446-Y494 HydrophobicContact CD1-CE1 3.6Å; Y446-Y494 AromaticContact CD1-CE2 3.92Å; Y446-Y494 HydrophobicContact CD1-CE2 3.92Å; Y446-Y494 AromaticContact CD1-CZ 3.49Å; Y446-Y494 VanDerWaalsContact CD1-CZ 3.49Å; Y446-Y494 HydrophobicContact CE1-CD1 4.48Å; Y446-Y494 AromaticContact CE1-CE1 3.55Å; Y446-Y494 HydrophobicContact CE1-CE1 3.55Å; Y446-Y494 HydrophobicContact CE1-CE2 4.26Å; Y446-Y494 AromaticContact CE1-CZ 3.43Å; Y446-Y494 VanDerWaalsContact CE1-CZ 3.43Å; Y446-Y494 VanDerWaalsContact CE1-OH 3.25Å; Y446-Y494 WeakPolarHBondContact CE1-OH 3.34Å; V474-Y494 HydrophobicContact CG1-CD1 3.6Å; V474-Y494 HydrophobicContact CG1-CE1 4.07Å; V474-Y494 HydrophobicContact CG1-CG 4.5Å; F475-Y494 CarbonylContact O-C 3.59Å; F475-Y494 WeakPolarHBondContact O-CA 3.33Å; P476-Y494 HydrophobicContact CB-CD1 4.07Å; P476-Y494 HydrophobicContact CB-CE1 3.69Å; P489-Y494 VanDerWaalsContact CA-OH 3.31Å; P489-Y494 WeakPolarHBondContact CA-OH 3.35Å; P489-Y494 WeakPolarHBondContact CB-OH 3.05Å; P489-Y494 WeakPolarHBondContact O-CE2 3.28Å; P489-Y494 PolarHBondContact O-OH 2.04Å; T492-Y494 HydrophobicContact CG2-CD2 4.29Å; T492-Y494 HydrophobicContact CG2-CE1 4.04Å; T492-Y494 HydrophobicContact CG2-CE2 3.47Å; T492-Y494 VanDerWaalsContact CG2-CE2 3.47Å; T492-Y494 WeakPolarHBondContact CG2-OH 3.3Å; Y494-F496 VanDerWaalsContact CB-CZ 3.44Å; Y494-F496 HydrophobicContact CG-CZ 4.29Å
495	S	97.8	Very high	94.4	Very high	33 Å²	33	42.7 Å²	42.7	23%	0.231	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	160.4	157.7	56.2	0	0	0	0	110.5	N381 F475	N381-S495 VanDerWaalsContact OD1-CA 3.28Å; N381-S495 WeakPolarHBondContact OD1-CA 3.29Å; N381-S495 WeakPolarHBondContact OD1-CB 3.32Å; F475-S495 WeakPolarHBondContact CB-OG 3.48Å; F475-S495 WeakPolarHBondContact CD2-O 3.4Å; F475-S495 PolarHBondContact N-O 3.21Å; F475-S495 PolarHBondContact O-N 3.14Å
496	F	97.9	Very high	95.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.7	-170.8	-61.4	-77.6	0	0	0	111.6	I379 N381 L385 M425 L445 W468 V474 Y494 V498	I379-F496 HydrophobicContact CG1-CE2 4.36Å; I379-F496 HydrophobicContact CG2-CD2 4.02Å; I379-F496 HydrophobicContact CG2-CE2 4.11Å; N381-F496 PolarHBondContact ND2-O 2.83Å; N381-F496 PolarHBondContact OD1-N 2.77Å; L385-F496 HydrophobicContact CD1-CB 4.27Å; L385-F496 HydrophobicContact CD1-CD2 4.18Å; L385-F496 HydrophobicContact CD2-CB 4.35Å; M425-F496 HydrophobicContact CE-CZ 4.09Å; M425-F496 HydrophobicContact SD-CE1 4.39Å; M425-F496 HydrophobicContact SD-CE2 3.81Å; M425-F496 HydrophobicContact SD-CZ 3.34Å; M425-F496 WeakPolarHBondContact SD-CZ 3.08Å; L445-F496 HydrophobicContact CB-CE1 4.24Å; L445-F496 HydrophobicContact CB-CE2 4.4Å; L445-F496 HydrophobicContact CB-CZ 4.02Å; L445-F496 HydrophobicContact CD1-CE2 4.31Å; L445-F496 HydrophobicContact CD2-CG 4.5Å; L445-F496 WeakPolarHBondContact O-CE1 3.35Å; W468-F496 AromaticContact CE2-CD1 3.67Å; W468-F496 HydrophobicContact CH2-CB 3.79Å; W468-F496 HydrophobicContact CH2-CD1 4.18Å; W468-F496 HydrophobicContact CH2-CG 4.4Å; W468-F496 HydrophobicContact CZ2-CB 3.65Å; W468-F496 AromaticContact CZ2-CD1 3.41Å; W468-F496 HydrophobicContact CZ2-CD1 3.41Å; W468-F496 VanDerWaalsContact CZ2-CD1 3.41Å; W468-F496 HydrophobicContact CZ2-CE1 4.4Å; W468-F496 AromaticContact CZ2-CG 3.8Å; W468-F496 HydrophobicContact CZ2-CG 3.8Å; W468-F496 AromaticContact NE1-CD1 3.78Å; W468-F496 AromaticContact NE1-CE1 3.96Å; V474-F496 HydrophobicContact CB-CE1 4.44Å; V474-F496 HydrophobicContact CG1-CD1 4.36Å; V474-F496 HydrophobicContact CG1-CE1 3.81Å; V474-F496 HydrophobicContact CG2-CD1 4.19Å; V474-F496 HydrophobicContact CG2-CE1 4.15Å; Y494-F496 VanDerWaalsContact CB-CZ 3.44Å; Y494-F496 HydrophobicContact CG-CZ 4.29Å; F496-V498 PolarHBondContact O-N 2.75Å
497	D	98.4	Very high	95.9	Very high	29 Å²	29	42.7 Å²	42.7	16%	0.155	21%	0.206	C	C	.	.			trans	-66.1	122.1	173.5	-175.6	-83	0	0	0	111.1	W468 K473 F475 E499 E500 F501	W468-D497 WeakPolarHBondContact CH2-O 3.34Å; W468-D497 HydrophobicContact CZ3-CB 4.37Å; K473-D497 HydrophobicContact CB-CB 3.85Å; K473-D497 HydrophobicContact CD-CB 3.82Å; K473-D497 HydrophobicContact CG-CB 4.3Å; K473-D497 IonicContact NZ-OD1 3.92Å; K473-D497 IonicContact NZ-OD2 3.18Å; K473-D497 PolarHBondContact NZ-OD2 3.17Å; K473-D497 PolarHBondContact O-N 3.04Å; K473-D497 VanDerWaalsContact O-N 3.12Å; F475-D497 HydrophobicContact CE2-CB 4.01Å; F475-D497 HydrophobicContact CZ-CB 4.26Å; D497-E499 PolarHBondContact O-N 3.3Å; D497-E499 PolarHBondContact OD1-N 2.87Å; D497-E500 HydrophobicContact CB-CB 4.3Å; D497-E500 WeakPolarHBondContact OD1-CB 3.21Å; D497-E500 PolarHBondContact OD1-N 3.39Å; D497-F501 WeakPolarHBondContact O-CB 3.44Å; D497-F501 PolarHBondContact O-N 3.24Å
498	V	98.1	Very high	96.3	Very high	46 Å²	46	36.7 Å²	36.7	28%	0.279	18%	0.178	S	C	.	.	H	α-helix	trans	-69.1	-35.8	-172.5	-176.8	0	0	0	0	112.2	E384 L385 A388 F496 M502	E384-V498 HydrophobicContact CB-CG2 4.19Å; L385-V498 HydrophobicContact CD2-CG2 4.11Å; A388-V498 HydrophobicContact CB-CG1 3.57Å; F496-V498 PolarHBondContact O-N 2.75Å; V498-M502 WeakPolarHBondContact O-CB 3.4Å; V498-M502 WeakPolarHBondContact O-CG 3.44Å; V498-M502 PolarHBondContact O-N 3.09Å
499	E	97.6	Very high	96.7	Very high	160 Å²	160	34.8 Å²	34.8	75%	0.748	17%	0.17	S	C	*	.	H	α-helix	trans	-70	-48.7	-177.3	-66.4	-176.8	172.9	0	0	111.1	D497 F501 M502 Y503	D497-E499 PolarHBondContact O-N 3.3Å; D497-E499 PolarHBondContact OD1-N 2.87Å; E499-F501 VanDerWaalsContact C-N 3.34Å; E499-M502 PolarHBondContact O-N 3.26Å; E499-Y503 WeakPolarHBondContact O-CB 3.1Å; E499-Y503 PolarHBondContact O-N 3.14Å
500	E	97.8	Very high	97.1	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-37.5	176.8	178.7	81.3	-172.9	0	0	111	W468 K473 D497 Y503 L504	W468-E500 HydrophobicContact CE3-CB 4.31Å; W468-E500 HydrophobicContact CE3-CG 3.49Å; W468-E500 VanDerWaalsContact CE3-CG 3.49Å; W468-E500 HydrophobicContact CH2-CG 4.47Å; W468-E500 HydrophobicContact CZ3-CB 3.63Å; W468-E500 HydrophobicContact CZ3-CG 3.32Å; K473-E500 HydrophobicContact CB-CB 4.47Å; K473-E500 HydrophobicContact CB-CG 4.26Å; K473-E500 HydrophobicContact CG-CB 4.31Å; K473-E500 HydrophobicContact CG-CG 4.18Å; D497-E500 HydrophobicContact CB-CB 4.3Å; D497-E500 WeakPolarHBondContact OD1-CB 3.21Å; D497-E500 PolarHBondContact OD1-N 3.39Å; E500-Y503 PolarHBondContact O-N 3.12Å; E500-L504 HydrophobicContact CG-CD1 4.37Å; E500-L504 WeakPolarHBondContact O-CG 3.08Å; E500-L504 PolarHBondContact O-N 3.09Å
501	F	98.4	Very high	97.3	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-51.5	171.6	172.1	-100.6	0	0	0	111.8	L385 L389 I423 F443 L445 W468 D497 E499 Y503 L504 V505	L385-F501 HydrophobicContact CB-CD1 4.17Å; L385-F501 HydrophobicContact CB-CE1 3.84Å; L385-F501 HydrophobicContact CB-CZ 4.12Å; L385-F501 HydrophobicContact CD1-CD2 4.37Å; L385-F501 HydrophobicContact CD1-CE2 4.37Å; L385-F501 HydrophobicContact CD2-CB 4Å; L385-F501 HydrophobicContact CD2-CD1 3.77Å; L385-F501 HydrophobicContact CD2-CD2 4.31Å; L385-F501 HydrophobicContact CD2-CE1 4.3Å; L385-F501 HydrophobicContact CD2-CG 3.76Å; L385-F501 HydrophobicContact CG-CD1 4.45Å; L389-F501 HydrophobicContact CD1-CE1 4.02Å; L389-F501 HydrophobicContact CD1-CZ 3.96Å; L389-F501 HydrophobicContact CD2-CE1 3.82Å; L389-F501 HydrophobicContact CD2-CZ 4.2Å; L389-F501 HydrophobicContact CG-CE1 3.75Å; L389-F501 HydrophobicContact CG-CZ 4.19Å; I423-F501 HydrophobicContact CD1-CE2 4.11Å; I423-F501 HydrophobicContact CD1-CZ 3.86Å; I423-F501 HydrophobicContact CG2-CE2 4.01Å; F443-F501 HydrophobicContact CD1-CD2 4.36Å; F443-F501 HydrophobicContact CD1-CE2 4.16Å; F443-F501 AromaticContact CE1-CD2 3.54Å; F443-F501 HydrophobicContact CE1-CD2 3.54Å; F443-F501 AromaticContact CE1-CE2 3.79Å; F443-F501 HydrophobicContact CE1-CE2 3.79Å; F443-F501 HydrophobicContact CZ-CD2 4.23Å; L445-F501 HydrophobicContact CD2-CD2 3.82Å; L445-F501 HydrophobicContact CD2-CE2 3.83Å; W468-F501 HydrophobicContact CH2-CB 3.75Å; W468-F501 HydrophobicContact CZ2-CB 4.23Å; W468-F501 HydrophobicContact CZ2-CD2 4.4Å; D497-F501 WeakPolarHBondContact O-CB 3.44Å; D497-F501 PolarHBondContact O-N 3.24Å; E499-F501 VanDerWaalsContact C-N 3.34Å; F501-Y503 VanDerWaalsContact C-N 3.32Å; F501-Y503 PolarHBondContact O-N 3.11Å; F501-L504 PolarHBondContact O-N 3.41Å; F501-V505 HydrophobicContact CD2-CG2 4.34Å; F501-V505 HydrophobicContact CE1-CG2 4.12Å; F501-V505 HydrophobicContact CE2-CG2 3.92Å; F501-V505 HydrophobicContact CZ-CG2 3.81Å; F501-V505 WeakPolarHBondContact O-CG2 3.23Å; F501-V505 PolarHBondContact O-N 2.88Å
502	M	98.3	Very high	97.4	Very high	24 Å²	24	35.7 Å²	35.7	12%	0.118	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-38.5	179.8	-74.6	-57.3	-60.5	0	0	112.1	A388 L389 V392 V498 E499 V505 L506	A388-M502 VanDerWaalsContact C-SD 3.57Å; A388-M502 HydrophobicContact CB-CG 3.78Å; A388-M502 HydrophobicContact CB-SD 3.65Å; L389-M502 HydrophobicContact CD2-CE 4.34Å; L389-M502 HydrophobicContact CD2-SD 3.8Å; L389-M502 HydrophobicContact CG-SD 4.17Å; V392-M502 HydrophobicContact CG2-CE 3.57Å; V498-M502 WeakPolarHBondContact O-CB 3.4Å; V498-M502 WeakPolarHBondContact O-CG 3.44Å; V498-M502 PolarHBondContact O-N 3.09Å; E499-M502 PolarHBondContact O-N 3.26Å; M502-V505 PolarHBondContact O-N 3.46Å; M502-L506 WeakPolarHBondContact O-CB 3.1Å; M502-L506 VanDerWaalsContact O-CG 3.28Å; M502-L506 WeakPolarHBondContact O-CG 3.34Å; M502-L506 PolarHBondContact O-N 3.14Å
503	Y	97.9	Very high	97.3	Very high	116 Å²	116	40 Å²	40	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-57.3	-49.6	174.8	171.8	-105.7	0	0	0	111.8	E499 E500 F501 L506 Q507	E499-Y503 WeakPolarHBondContact O-CB 3.1Å; E499-Y503 PolarHBondContact O-N 3.14Å; E500-Y503 PolarHBondContact O-N 3.12Å; F501-Y503 VanDerWaalsContact C-N 3.32Å; F501-Y503 PolarHBondContact O-N 3.11Å; Y503-L506 PolarHBondContact O-N 3.4Å; Y503-Q507 PolarHBondContact O-N 2.93Å; Y503-Q507 VanDerWaalsContact O-N 3.11Å; Y503-Q507 PolarHBondContact OH-NE2 2.8Å
504	L	98.3	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-38.7	179.3	-68.4	171.7	0	0	0	112.5	F443 I466 W468 Q469 E500 F501 L506 Q507 A508	F443-L504 HydrophobicContact CE1-CB 3.96Å; F443-L504 HydrophobicContact CE1-CD1 4.36Å; F443-L504 HydrophobicContact CE2-CD1 4.1Å; F443-L504 HydrophobicContact CZ-CB 4.06Å; F443-L504 HydrophobicContact CZ-CD1 3.62Å; I466-L504 HydrophobicContact CG2-CB 4.16Å; I466-L504 HydrophobicContact CG2-CD2 4Å; I466-L504 HydrophobicContact CG2-CG 4.49Å; W468-L504 HydrophobicContact CD2-CD1 4.22Å; W468-L504 HydrophobicContact CE3-CD1 4.17Å; Q469-L504 HydrophobicContact CG-CD2 4.46Å; E500-L504 HydrophobicContact CG-CD1 4.37Å; E500-L504 WeakPolarHBondContact O-CG 3.08Å; E500-L504 PolarHBondContact O-N 3.09Å; F501-L504 PolarHBondContact O-N 3.41Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L504-Q507 WeakPolarHBondContact O-CB 3.37Å; L504-Q507 PolarHBondContact O-N 3.16Å; L504-A508 PolarHBondContact O-N 3.31Å
505	V	98.5	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-35.2	176.6	177.8	0	0	0	0	111.8	L389 F395 I421 I423 F443 F501 M502 Q507 A508 A509	L389-V505 HydrophobicContact CD2-CB 4.17Å; L389-V505 HydrophobicContact CD2-CG1 3.64Å; L389-V505 HydrophobicContact CD2-CG2 4.2Å; F395-V505 HydrophobicContact CE2-CG1 3.69Å; F395-V505 HydrophobicContact CZ-CG1 3.9Å; I421-V505 HydrophobicContact CD1-CG1 4.15Å; I423-V505 HydrophobicContact CD1-CG2 3.72Å; F443-V505 HydrophobicContact CD1-CG2 3.85Å; F443-V505 HydrophobicContact CE1-CG2 4.04Å; F501-V505 HydrophobicContact CD2-CG2 4.34Å; F501-V505 HydrophobicContact CE1-CG2 4.12Å; F501-V505 HydrophobicContact CE2-CG2 3.92Å; F501-V505 HydrophobicContact CZ-CG2 3.81Å; F501-V505 WeakPolarHBondContact O-CG2 3.23Å; F501-V505 PolarHBondContact O-N 2.88Å; M502-V505 PolarHBondContact O-N 3.46Å; V505-Q507 VanDerWaalsContact C-N 3.34Å; V505-A508 VanDerWaalsContact O-CB 3.32Å; V505-A508 WeakPolarHBondContact O-CB 3.19Å; V505-A508 PolarHBondContact O-N 2.83Å; V505-A509 PolarHBondContact O-N 3.26Å
506	L	98.2	Very high	96.5	Very high	84 Å²	84	51.5 Å²	51.5	44%	0.44	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-34.7	174.4	-72.9	169	0	0	0	112.1	F395 M502 Y503 L504 A509 D510	F395-L506 HydrophobicContact CZ-CD2 4.11Å; M502-L506 WeakPolarHBondContact O-CB 3.1Å; M502-L506 VanDerWaalsContact O-CG 3.28Å; M502-L506 WeakPolarHBondContact O-CG 3.34Å; M502-L506 PolarHBondContact O-N 3.14Å; Y503-L506 PolarHBondContact O-N 3.4Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L506-A509 WeakPolarHBondContact O-CB 3.49Å; L506-A509 PolarHBondContact O-N 3.01Å; L506-D510 PolarHBondContact O-N 3.14Å
507	Q	97.8	Very high	95.9	Very high	70 Å²	70	55.6 Å²	55.6	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-41.6	170.2	-68.8	-171.4	-23.8	0	0	111.9	Y503 L504 V505 A509 D510 H511	Y503-Q507 PolarHBondContact O-N 2.93Å; Y503-Q507 VanDerWaalsContact O-N 3.11Å; Y503-Q507 PolarHBondContact OH-NE2 2.8Å; L504-Q507 WeakPolarHBondContact O-CB 3.37Å; L504-Q507 PolarHBondContact O-N 3.16Å; V505-Q507 VanDerWaalsContact C-N 3.34Å; Q507-A509 VanDerWaalsContact C-N 3.29Å; Q507-A509 PolarHBondContact O-N 3.27Å; Q507-D510 PolarHBondContact O-N 3.46Å; Q507-H511 PolarHBondContact O-N 2.71Å
508	A	98.1	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-43.7	173.6	0	0	0	0	0	111.2	I421 A441 I466 L504 V505 H511 V512	I421-A508 HydrophobicContact CD1-CB 3.99Å; I421-A508 HydrophobicContact CG1-CB 4.24Å; I421-A508 HydrophobicContact CG2-CB 4.16Å; A441-A508 HydrophobicContact CB-CB 3.87Å; I466-A508 HydrophobicContact CD1-CB 3.45Å; I466-A508 VanDerWaalsContact CD1-CB 3.45Å; L504-A508 PolarHBondContact O-N 3.31Å; V505-A508 VanDerWaalsContact O-CB 3.32Å; V505-A508 WeakPolarHBondContact O-CB 3.19Å; V505-A508 PolarHBondContact O-N 2.83Å; A508-H511 WeakPolarHBondContact O-CB 3.5Å; A508-H511 PolarHBondContact O-N 3.36Å; A508-V512 WeakPolarHBondContact O-CG2 3.31Å; A508-V512 PolarHBondContact O-N 3Å
509	A	97.5	Very high	93.8	Very high	6 Å²	6	57.4 Å²	57.4	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-42.3	176.7	0	0	0	0	0	112.3	I365 F395 I421 V505 L506 Q507 H511 V512 L513	I365-A509 HydrophobicContact CD1-CB 3.74Å; F395-A509 HydrophobicContact CE1-CB 3.68Å; F395-A509 HydrophobicContact CZ-CB 3.8Å; I421-A509 HydrophobicContact CD1-CB 3.99Å; V505-A509 PolarHBondContact O-N 3.26Å; L506-A509 WeakPolarHBondContact O-CB 3.49Å; L506-A509 PolarHBondContact O-N 3.01Å; Q507-A509 VanDerWaalsContact C-N 3.29Å; Q507-A509 PolarHBondContact O-N 3.27Å; A509-H511 VanDerWaalsContact C-N 3.33Å; A509-H511 PolarHBondContact O-N 3.26Å; A509-V512 PolarHBondContact O-N 3.17Å; A509-L513 WeakPolarHBondContact O-CB 3.35Å; A509-L513 VanDerWaalsContact O-CG 3.27Å; A509-L513 WeakPolarHBondContact O-CG 3.36Å; A509-L513 PolarHBondContact O-N 3.23Å
510	D	96.1	Very high	91.9	Very high	82 Å²	82	56.1 Å²	56.1	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-43.2	175.2	-169.8	49.9	0	0	0	111.5	L506 Q507 V512 L513 Q514	L506-D510 PolarHBondContact O-N 3.14Å; Q507-D510 PolarHBondContact O-N 3.46Å; D510-V512 PolarHBondContact O-N 3.02Å; D510-L513 PolarHBondContact O-N 3.35Å; D510-Q514 WeakPolarHBondContact O-CB 3.42Å; D510-Q514 VanDerWaalsContact O-CG 3.28Å; D510-Q514 WeakPolarHBondContact O-CG 3.41Å; D510-Q514 PolarHBondContact O-N 3.32Å; D510-Q514 PolarHBondContact OD1-NE2 2.64Å; D510-Q514 PolarHBondContact OD2-NE2 3.43Å
511	H	95.6	Very high	89.6	Confident	55 Å²	55	65 Å²	65	26%	0.255	32%	0.319	S	S	.	.	H	α-helix	trans	-56.6	-50.2	172.6	176.9	83.2	0	0	0	112.2	H464 Q507 A508 A509 L513 Q514 H515	H464-H511 VanDerWaalsContact CB-NE2 3.33Å; H464-H511 WeakPolarHBondContact CB-NE2 3.08Å; H464-H511 AromaticContact CD2-CG 3.69Å; H464-H511 AromaticContact CG-CD2 3.83Å; H464-H511 AromaticContact CG-CE1 3.82Å; H464-H511 AromaticContact CG-CG 3.69Å; H464-H511 AromaticContact CG-ND1 3.68Å; H464-H511 AromaticContact CG-NE2 3.92Å; H464-H511 AromaticContact ND1-ND1 3.85Å; Q507-H511 PolarHBondContact O-N 2.71Å; A508-H511 WeakPolarHBondContact O-CB 3.5Å; A508-H511 PolarHBondContact O-N 3.36Å; A509-H511 VanDerWaalsContact C-N 3.33Å; A509-H511 PolarHBondContact O-N 3.26Å; H511-L513 VanDerWaalsContact C-N 3.34Å; H511-L513 PolarHBondContact O-N 2.75Å; H511-Q514 PolarHBondContact O-N 2.85Å; H511-H515 PolarHBondContact O-N 2.9Å; H511-H515 VanDerWaalsContact O-N 3.09Å
512	V	95.4	Very high	87	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.2	-48.4	178.1	171.8	0	0	0	0	110.7	D420 I421 W439 A508 A509 D510 Q514 H515 W518	D420-V512 HydrophobicContact CB-CG1 4.23Å; D420-V512 WeakPolarHBondContact O-CG2 3.4Å; I421-V512 HydrophobicContact CG1-CG2 4.15Å; W439-V512 WeakPolarHBondContact O-CG2 3.43Å; A508-V512 WeakPolarHBondContact O-CG2 3.31Å; A508-V512 PolarHBondContact O-N 3Å; A509-V512 PolarHBondContact O-N 3.17Å; D510-V512 PolarHBondContact O-N 3.02Å; V512-Q514 VanDerWaalsContact C-N 3.31Å; V512-Q514 PolarHBondContact O-N 3.19Å; V512-H515 WeakPolarHBondContact O-CB 3.5Å; V512-H515 PolarHBondContact O-N 3.35Å; V512-W518 HydrophobicContact CG1-CD2 3.78Å; V512-W518 HydrophobicContact CG1-CE3 3.77Å; V512-W518 HydrophobicContact CG1-CG 4.38Å; V512-W518 HydrophobicContact CG1-CH2 4.16Å; V512-W518 HydrophobicContact CG1-CZ2 4.17Å; V512-W518 HydrophobicContact CG1-CZ3 3.97Å; V512-W518 WeakPolarHBondContact O-CB 3.04Å
513	L	93.1	Very high	84.2	Confident	91 Å²	91	81.6 Å²	81.6	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-32	-176	-70.6	177.4	0	0	0	113.4	I365 A509 D510 H511 W518	I365-L513 HydrophobicContact CD1-CD1 4.25Å; I365-L513 HydrophobicContact CD1-CD2 3.97Å; I365-L513 HydrophobicContact CD1-CG 3.92Å; I365-L513 HydrophobicContact CG1-CD2 4.38Å; A509-L513 WeakPolarHBondContact O-CB 3.35Å; A509-L513 VanDerWaalsContact O-CG 3.27Å; A509-L513 WeakPolarHBondContact O-CG 3.36Å; A509-L513 PolarHBondContact O-N 3.23Å; D510-L513 PolarHBondContact O-N 3.35Å; H511-L513 VanDerWaalsContact C-N 3.34Å; H511-L513 PolarHBondContact O-N 2.75Å; L513-W518 VanDerWaalsContact CD2-NE1 3.33Å
514	Q	92.8	Very high	81.4	Confident	136 Å²	136	86.1 Å²	86.1	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-88.8	-9.8	-179.7	-66.5	178.4	17.5	0	0	113.4	D510 H511 V512	D510-Q514 WeakPolarHBondContact O-CB 3.42Å; D510-Q514 VanDerWaalsContact O-CG 3.28Å; D510-Q514 WeakPolarHBondContact O-CG 3.41Å; D510-Q514 PolarHBondContact O-N 3.32Å; D510-Q514 PolarHBondContact OD1-NE2 2.64Å; D510-Q514 PolarHBondContact OD2-NE2 3.43Å; H511-Q514 PolarHBondContact O-N 2.85Å; V512-Q514 VanDerWaalsContact C-N 3.31Å; V512-Q514 PolarHBondContact O-N 3.19Å
515	H	92.4	Very high	78.9	Confident	38 Å²	38	93.1 Å²	93.1	18%	0.176	45%	0.445	C	S	.	.	S	Bend	trans	-61.9	133.8	-176.5	-171.7	-89.7	0	0	0	110.9	D438 W439 H511 V512 K517 W518	D438-H515 PolarHBondContact O-NE2 3.3Å; W439-H515 HydrophobicContact CB-CB 3.77Å; W439-H515 WeakPolarHBondContact CB-ND1 3.02Å; H511-H515 PolarHBondContact O-N 2.9Å; H511-H515 VanDerWaalsContact O-N 3.09Å; V512-H515 WeakPolarHBondContact O-CB 3.5Å; V512-H515 PolarHBondContact O-N 3.35Å; H515-K517 PolarHBondContact ND1-N 2.99Å; H515-K517 VanDerWaalsContact ND1-N 3.18Å; H515-K517 PolarHBondContact O-N 3.18Å; H515-W518 HydrophobicContact CB-CB 4.26Å; H515-W518 WeakPolarHBondContact O-CA 3.5Å; H515-W518 WeakPolarHBondContact O-CB 3.25Å; H515-W518 PolarHBondContact O-N 3.22Å
516	P	88.2	Confident	76.2	Confident	126 Å²	126	101.1 Å²	101.1	82%	0.818	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.7	-174.4	-26.8	34.5	0	0	0	115.8	W518	P516-W518 VanDerWaalsContact C-N 3.34Å
517	K	84.9	Confident	73.1	Confident	87 Å²	87	108.9 Å²	108.9	38%	0.378	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.2	174.6	-58.3	-173.8	-178.8	-175.4	0	113.4	R343 D438 W439 H515	R343-K517 VanDerWaalsContact NH2-NZ 3.14Å; D438-K517 HydrophobicContact CB-CD 4.14Å; D438-K517 IonicContact OD2-NZ 3.76Å; D438-K517 PolarHBondContact OD2-NZ 2.71Å; W439-K517 HydrophobicContact CE3-CB 4.21Å; H515-K517 PolarHBondContact ND1-N 2.99Å; H515-K517 VanDerWaalsContact ND1-N 3.18Å; H515-K517 PolarHBondContact O-N 3.18Å
518	W	81.9	Confident	71.9	Confident	23 Å²	23	110.9 Å²	110.9	9%	0.087	53%	0.533	C	S	.	.	S	Bend	trans	-120.7	133	179.8	-172.5	-81	0	0	0	111.1	P360 K364 I365 D420 W439 V512 L513 H515 P516	P360-W518 HydrophobicContact CB-CD2 3.86Å; P360-W518 HydrophobicContact CB-CE3 3.49Å; P360-W518 VanDerWaalsContact CB-CE3 3.49Å; P360-W518 HydrophobicContact CB-CH2 3.62Å; P360-W518 HydrophobicContact CB-CZ2 3.96Å; P360-W518 HydrophobicContact CB-CZ3 3.36Å; P360-W518 HydrophobicContact CG-CD2 4.03Å; P360-W518 HydrophobicContact CG-CE3 3.48Å; P360-W518 VanDerWaalsContact CG-CE3 3.48Å; P360-W518 HydrophobicContact CG-CH2 4.47Å; P360-W518 HydrophobicContact CG-CZ3 3.73Å; K364-W518 WeakPolarHBondContact O-CZ2 3.07Å; I365-W518 HydrophobicContact CG1-CZ2 4.3Å; D420-W518 HydrophobicContact CB-CZ3 4.47Å; D420-W518 WeakPolarHBondContact OD1-CZ3 3.43Å; W439-W518 AromaticContact CD1-CE3 3.46Å; W439-W518 VanDerWaalsContact CD1-CE3 3.46Å; W439-W518 AromaticContact CD1-CZ3 3.7Å; W439-W518 AromaticContact CD2-CE3 3.97Å; W439-W518 HydrophobicContact CD2-CE3 3.97Å; W439-W518 HydrophobicContact CD2-CZ3 4.47Å; W439-W518 AromaticContact CE2-CE3 3.74Å; W439-W518 AromaticContact CE2-CZ3 3.78Å; W439-W518 AromaticContact CG-CE3 3.78Å; W439-W518 HydrophobicContact CG-CE3 3.78Å; W439-W518 HydrophobicContact CG-CZ3 4.4Å; W439-W518 HydrophobicContact CZ2-CE3 4.45Å; W439-W518 HydrophobicContact CZ2-CZ3 4.3Å; W439-W518 AromaticContact NE1-CE3 3.44Å; W439-W518 AromaticContact NE1-CZ3 3.28Å; W439-W518 VanDerWaalsContact NE1-CZ3 3.28Å; V512-W518 HydrophobicContact CG1-CD2 3.78Å; V512-W518 HydrophobicContact CG1-CE3 3.77Å; V512-W518 HydrophobicContact CG1-CG 4.38Å; V512-W518 HydrophobicContact CG1-CH2 4.16Å; V512-W518 HydrophobicContact CG1-CZ2 4.17Å; V512-W518 HydrophobicContact CG1-CZ3 3.97Å; V512-W518 WeakPolarHBondContact O-CB 3.04Å; L513-W518 VanDerWaalsContact CD2-NE1 3.33Å; H515-W518 HydrophobicContact CB-CB 4.26Å; H515-W518 WeakPolarHBondContact O-CA 3.5Å; H515-W518 WeakPolarHBondContact O-CB 3.25Å; H515-W518 PolarHBondContact O-N 3.22Å; P516-W518 VanDerWaalsContact C-N 3.34Å
519	P	70.9	Confident	70.5	Confident	91 Å²	91	116.7 Å²	116.7	59%	0.591	56%	0.561	S	S	*	*	S	Bend	cis	-70.1	155.4	-27.8	31.9	-32.9	0	0	0	110.2	K521	P519-K521 PolarHBondContact O-N 3.02Å
520	F	58.6	Low	69	Low	132 Å²	132	122.8 Å²	122.8	58%	0.579	59%	0.589	S	S	*	*			trans	-49.5	123.8	171.2	-83.8	-86.4	0	0	0	108.1	P360 K522	P360-F520 VanDerWaalsContact CD-CD2 3.43Å; P360-F520 HydrophobicContact CG-CD2 4.12Å; P360-F520 HydrophobicContact CG-CE2 4.48Å; F520-K522 PolarHBondContact O-N 3.42Å
521	K	48.9	Very low	67.4	Low	202 Å²	202	125.2 Å²	125.2	88%	0.878	60%	0.598	S	S	*	*			trans	-57.4	89.7	154.6	-77.9	-177.7	179	177.6	0	105.4	P519 K523	P519-K521 PolarHBondContact O-N 3.02Å; K521-K523 PolarHBondContact O-N 3.31Å
522	K	44.2	Very low	65.7	Low	189 Å²	189	129.6 Å²	129.6	82%	0.822	62%	0.619	S	S	*	*			trans	-54.5	105.7	154.6	-87.2	-177.6	176.2	175.8	0	102.5	F520 R524	F520-K522 PolarHBondContact O-N 3.42Å; K522-R524 PolarHBondContact O-N 3.09Å
523	K	39.6	Very low	63.7	Low	185 Å²	185	138.3 Å²	138.3	80%	0.804	66%	0.661	S	S	*	*			trans	-53.4	100.5	152.3	-84.5	-177.3	171.8	-174.9	0	103.2	K521 D525	K521-K523 PolarHBondContact O-N 3.31Å; K523-D525 PolarHBondContact O-N 3.18Å
524	R	39	Very low	61.6	Low	212 Å²	212	141.6 Å²	141.6	80%	0.8	67%	0.674	S	S	*	*			trans	-61	99.6	156.4	-90.5	-178	167.6	175.3	-2.5	102.5	K522 E526	K522-R524 PolarHBondContact O-N 3.09Å; R524-E526 HydrophobicContact CB-CG 4.2Å; R524-E526 PolarHBondContact O-N 3.2Å
525	D	44.2	Very low	59.2	Low	146 Å²	146	142.1 Å²	142.1	78%	0.781	68%	0.677	S	S	*	*			trans	-62.9	94.3	153.5	-69.6	-25.5	0	0	0	103.5	K523 L527	K523-D525 PolarHBondContact O-N 3.18Å; D525-L527 PolarHBondContact O-N 3.38Å
526	E	41.8	Very low	56.4	Low	169 Å²	169	150.8 Å²	150.8	79%	0.79	72%	0.718	S	S	*	*			trans	-63.4	128.6	171.8	-69.1	-175.9	161.5	0	0	107.2	R524	R524-E526 HydrophobicContact CB-CG 4.2Å; R524-E526 PolarHBondContact O-N 3.2Å
527	L	34.7	Very low	53.5	Low	247 Å²	247	153 Å²	153	100%	1.293	71%	0.709	S	S	*	*			trans	-51.3	0	-178.1	-85.3	151.4	0	0	0	114.2	D525	D525-L527 PolarHBondContact O-N 3.38Å

Retrieved 527 of 527 residues in 233.7 ms (Link to these results)

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