A0A077Z1W4_TRITR Loading...

Prostaglandin E synthase 2

AlphaFold DB , UniProt , Accession A0A077Z1W4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 806 aa.

						>A0A077Z1W4_TRITR|A0A077Z1W4
MRHLLSFLSSSTPRNLLLASASGILLTGTVAAALPPKQLLIQTRCATLRIDKIEFKTADDRNALGVHLRVYQYHNCPFCSKLRAFLEYFGFSYELVEVNPLNKKQIGFSVYKKVPIVTFDHGGTIQLNDSSLIISFLQSHQLNPQESFESLQNFYHSTLVEEGKRKGREVLCPNKYRLMLPEKGAKVHAESLKEEMEWRQWVDDKFVHLISPNVYRNLNEAFEAFRWFSEVSDWDKVFQPWERLMIIYAGATVMFFVSKRLQKKYNLKSNLRESLYEGCNEWLEAIGPNRPFLGGQQPNLADIAMYGALNSFEGCKAFRDLSENTKITAWFQAVKEQVENHAGMTKVFWCSVFVSIVSILVGCLLLPKWLNDPPLPEISDGYFGEGTWKRDNELVAPFRISVPDLELDDLRQRLERSIIPDSIEDAKHDYGLRGDVLTKIRNYWLNEYDWRKAEENLNAFNHYQTEIEGLSIHFIHQKPPRGKYNHVYPILLVHGWPSSFFEYAKLIKILTDPLSEGLESDSSKAIAFQVVVPSLPGYAFSQAPKKRGCGTLATARIFAKLMDRLNLKRYILQGTDWGSVVTTTMAQLYPDRIIGLHLNMVVVIPYIYPKLWPKLLYNVAANILFKPKKDSLTNNLPSISFFSKSTMTTEMGYMHIQATKPDSIGIAMIDSPMGLAAYILEKYSSWSHKDYTNRPMGGLAEFTMDELITQVMIYWITKCTPSSMRYYKEFFDNKNHSVLLRAPVYTPTAVAAFANELLIYPRNFAEQKYKNLIHYSEFDNGGHFAIMEKPRLFATELINFARKLKT
					

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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	31.7	Very low	31.5	Very low	197 Å²	197	127.5 Å²	127.5	97%	0.97	66%	0.658	S	S	*	*				0	-56.6	0	-140.2	168.7	159.9	0	0	113.3	H3 L4 L5	M1-H3 PolarHBondContact O-N 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-L5 PolarHBondContact O-N 2.93Å
2	R	30.9	Very low	31.6	Very low	225 Å²	225	123.8 Å²	123.8	85%	0.849	65%	0.646	S	S	*	*	H	α-helix	trans	-59.8	-41.1	174.4	-80.1	-177.2	178.7	172.7	-0.4	114.3	L4 L5 S6	R2-L4 PolarHBondContact O-N 3.3Å; R2-L5 PolarHBondContact O-N 3.45Å; R2-S6 PolarHBondContact O-N 2.77Å
3	H	32	Very low	32	Very low	167 Å²	167	121 Å²	121	77%	0.773	64%	0.64	S	S	*	*	H	α-helix	trans	-64.3	-37.6	175.1	-78.4	-64.7	0	0	0	113.1	M1 S6 F7	M1-H3 PolarHBondContact O-N 3.29Å; H3-S6 PolarHBondContact O-N 3.46Å; H3-S6 PolarHBondContact O-OG 3.04Å; H3-F7 PolarHBondContact O-N 3.35Å
4	L	30.1	Very low	31.9	Very low	121 Å²	121	125.6 Å²	125.6	63%	0.634	64%	0.644	S	S	*	*	H	α-helix	trans	-66.4	-41.4	176.2	-152.7	88.3	0	0	0	111.6	M1 R2 F7 L8	M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 3.41Å; R2-L4 PolarHBondContact O-N 3.3Å; L4-F7 PolarHBondContact O-N 3.17Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 2.85Å
5	L	33.1	Very low	31.5	Very low	111 Å²	111	124.7 Å²	124.7	58%	0.581	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-37.4	173.9	-76.6	162.5	0	0	0	112	M1 R2 S9	M1-L5 PolarHBondContact O-N 2.93Å; R2-L5 PolarHBondContact O-N 3.45Å; L5-S9 VanDerWaalsContact O-CB 3.27Å; L5-S9 WeakPolarHBondContact O-CB 3.46Å; L5-S9 PolarHBondContact O-N 3.41Å; L5-S9 PolarHBondContact O-OG 3.24Å
6	S	32	Very low	31.3	Very low	59 Å²	59	125 Å²	125	41%	0.413	64%	0.643	S	S	.	*	H	α-helix	trans	-65.3	-41.1	175.2	82.9	0	0	0	0	111.7	R2 H3 S9 S10	R2-S6 PolarHBondContact O-N 2.77Å; H3-S6 PolarHBondContact O-N 3.46Å; H3-S6 PolarHBondContact O-OG 3.04Å; S6-S9 WeakPolarHBondContact CA-OG 3.44Å; S6-S9 PolarHBondContact O-N 3.42Å; S6-S9 PolarHBondContact O-OG 2.79Å; S6-S10 VanDerWaalsContact O-CB 3.24Å; S6-S10 WeakPolarHBondContact O-CB 3.34Å; S6-S10 PolarHBondContact O-N 2.76Å; S6-S10 PolarHBondContact O-OG 2.67Å
7	F	31.2	Very low	31.1	Very low	162 Å²	162	124.5 Å²	124.5	71%	0.711	64%	0.642	S	S	*	*	H	α-helix	trans	-66.2	-45.2	-179.8	-157.4	-98.6	0	0	0	111	H3 L4 S9 S10 S11	H3-F7 PolarHBondContact O-N 3.35Å; L4-F7 PolarHBondContact O-N 3.17Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-S9 PolarHBondContact O-N 2.97Å; F7-S10 PolarHBondContact O-N 3.03Å; F7-S10 PolarHBondContact O-OG 2.76Å; F7-S11 PolarHBondContact O-N 2.81Å
8	L	29.1	Very low	30.8	Very low	119 Å²	119	124.3 Å²	124.3	62%	0.623	64%	0.641	S	S	*	*	H	α-helix	trans	-68.9	-26.5	175.4	-69	168.2	0	0	0	113.6	L4 S11	L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 2.85Å; L8-S11 PolarHBondContact O-OG 2.84Å
9	S	33.6	Very low	30.6	Very low	99 Å²	99	119.5 Å²	119.5	69%	0.692	62%	0.622	S	S	*	*	H	α-helix	trans	-81.4	-23.4	174.1	73	0	0	0	0	113.7	L5 S6 F7	L5-S9 VanDerWaalsContact O-CB 3.27Å; L5-S9 WeakPolarHBondContact O-CB 3.46Å; L5-S9 PolarHBondContact O-N 3.41Å; L5-S9 PolarHBondContact O-OG 3.24Å; S6-S9 WeakPolarHBondContact CA-OG 3.44Å; S6-S9 PolarHBondContact O-N 3.42Å; S6-S9 PolarHBondContact O-OG 2.79Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-S9 PolarHBondContact O-N 2.97Å
10	S	31.9	Very low	30.4	Very low	74 Å²	74	117.9 Å²	117.9	52%	0.517	62%	0.621	S	S	.	*	H	α-helix	trans	-87.8	-14.2	-176.3	71.2	0	0	0	0	114.2	S6 F7 T12	S6-S10 VanDerWaalsContact O-CB 3.24Å; S6-S10 WeakPolarHBondContact O-CB 3.34Å; S6-S10 PolarHBondContact O-N 2.76Å; S6-S10 PolarHBondContact O-OG 2.67Å; F7-S10 PolarHBondContact O-N 3.03Å; F7-S10 PolarHBondContact O-OG 2.76Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 2.87Å
11	S	31	Very low	30.3	Very low	68 Å²	68	116 Å²	116	48%	0.476	62%	0.622	S	S	.	*	S	Bend	trans	-71.4	91.8	177.1	56.6	0	0	0	0	109.8	F7 L8	F7-S11 PolarHBondContact O-N 2.81Å; L8-S11 PolarHBondContact O-OG 2.84Å
12	T	32.4	Very low	30.1	Very low	84 Å²	84	112.1 Å²	112.1	52%	0.515	62%	0.615	S	S	.	*			trans	-49.4	144.9	175.5	45.4	0	0	0	0	111.8	S10 R14 N15	S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 2.87Å; T12-R14 PolarHBondContact O-N 2.85Å; T12-N15 PolarHBondContact O-N 3.49Å
13	P	37	Very low	29.9	Very low	87 Å²	87	104.2 Å²	104.2	57%	0.565	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-3.9	-176.3	-11.4	22.9	0	0	0	114.6	N15 L16 L17	P13-N15 PolarHBondContact O-N 3.4Å; P13-L16 PolarHBondContact O-N 2.78Å; P13-L17 PolarHBondContact O-N 3.31Å
14	R	30.8	Very low	29.5	Very low	186 Å²	186	101.7 Å²	101.7	70%	0.702	59%	0.594	S	S	*	*	H	α-helix	trans	-60.1	-34.6	178.2	-149.6	176.3	-172.9	-174.5	0.9	112.3	T12 L18	T12-R14 PolarHBondContact O-N 2.85Å; R14-L18 PolarHBondContact O-N 3.13Å
15	N	26.4	Very low	29.4	Very low	111 Å²	111	103.6 Å²	103.6	59%	0.594	60%	0.604	S	S	*	*	H	α-helix	trans	-82.8	-24.6	179.5	-69.9	-5.5	0	0	0	112.9	T12 P13 A19	T12-N15 PolarHBondContact O-N 3.49Å; P13-N15 PolarHBondContact O-N 3.4Å; N15-A19 WeakPolarHBondContact O-CB 3.42Å; N15-A19 PolarHBondContact O-N 2.96Å
16	L	27.8	Very low	29.1	Very low	130 Å²	130	104.8 Å²	104.8	68%	0.681	61%	0.61	S	S	*	*	H	α-helix	trans	-72.9	-37.8	176.7	-104.9	113.3	0	0	0	112.2	P13 S20	P13-L16 PolarHBondContact O-N 2.78Å; L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.83Å; L16-S20 PolarHBondContact O-OG 2.72Å
17	L	27.5	Very low	29	Very low	117 Å²	117	108 Å²	108	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-71.8	-41.6	176.1	-90.8	147	0	0	0	112	P13 S20	P13-L17 PolarHBondContact O-N 3.31Å; L17-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-OG 2.94Å
18	L	26.6	Very low	28.9	Very low	120 Å²	120	103.5 Å²	103.5	63%	0.628	63%	0.627	S	S	*	*	H	α-helix	trans	-71.7	-33.9	175.6	-77.7	162.2	0	0	0	112.8	R14 S20 A21	R14-L18 PolarHBondContact O-N 3.13Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-A21 PolarHBondContact O-N 3.12Å
19	A	25.8	Very low	28.9	Very low	33 Å²	33	104 Å²	104	27%	0.273	64%	0.635	S	S	.	*	H	α-helix	trans	-71.3	-27.5	174.7	0	0	0	0	0	113	N15 A21 S22 G23 I24	N15-A19 WeakPolarHBondContact O-CB 3.42Å; N15-A19 PolarHBondContact O-N 2.96Å; A19-A21 VanDerWaalsContact C-N 3.27Å; A19-A21 PolarHBondContact O-N 2.75Å; A19-S22 PolarHBondContact O-N 3.17Å; A19-G23 PolarHBondContact O-N 2.91Å; A19-I24 HydrophobicContact CB-CD1 3.8Å; A19-I24 HydrophobicContact CB-CG1 4.16Å
20	S	27.7	Very low	28.5	Very low	88 Å²	88	102.1 Å²	102.1	62%	0.615	62%	0.619	S	S	*	*	H	α-helix	trans	-69.1	-23.2	172.9	70.6	0	0	0	0	113.6	L16 L17 L18	L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.83Å; L16-S20 PolarHBondContact O-OG 2.72Å; L17-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-OG 2.94Å; L18-S20 VanDerWaalsContact C-N 3.33Å
21	A	27.1	Very low	28.2	Very low	77 Å²	77	103.9 Å²	103.9	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-86.6	-14.4	179	0	0	0	0	0	113.8	L18 A19	L18-A21 PolarHBondContact O-N 3.12Å; A19-A21 VanDerWaalsContact C-N 3.27Å; A19-A21 PolarHBondContact O-N 2.75Å
22	S	27.6	Very low	28.1	Very low	117 Å²	117	105.4 Å²	105.4	82%	0.818	66%	0.655	S	S	*	*	H	α-helix	trans	-151	3.5	-174.6	-59.4	0	0	0	0	118.2	A19	A19-S22 PolarHBondContact O-N 3.17Å
23	G	26.9	Very low	27.9	Very low	58 Å²	58	105.4 Å²	105.4	60%	0.598	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.6	-20.7	-168.8	0	0	0	0	0	121	A19	A19-G23 PolarHBondContact O-N 2.91Å
24	I	25.1	Very low	27.3	Very low	115 Å²	115	108.1 Å²	108.1	59%	0.59	67%	0.673	S	S	*	*			trans	-114.7	41.1	-169.1	-44.1	-179.2	0	0	0	112.7	A19	A19-I24 HydrophobicContact CB-CD1 3.8Å; A19-I24 HydrophobicContact CB-CG1 4.16Å
25	L	26.1	Very low	27.3	Very low	160 Å²	160	104.4 Å²	104.4	84%	0.838	67%	0.673	S	S	*	*	S	Bend	trans	-101.5	6.7	172.4	-113	152.7	0	0	0	113.8
26	L	26.8	Very low	28	Very low	137 Å²	137	105.4 Å²	105.4	72%	0.717	69%	0.685	S	S	*	*	S	Bend	trans	-131.1	2.8	-174.9	-87.8	161.2	0	0	0	117.4
27	T	30	Very low	28.1	Very low	125 Å²	125	109 Å²	109	77%	0.767	70%	0.695	S	S	*	*	S	Bend	trans	-123.4	84.3	178	59.6	0	0	0	0	111.5
28	G	29.5	Very low	28.1	Very low	69 Å²	69	112.5 Å²	112.5	71%	0.711	71%	0.708	S	S	*	*	S	Bend	trans	-175	-42	170.9	0	0	0	0	0	115.8
29	T	29.2	Very low	28.1	Very low	130 Å²	130	115 Å²	115	80%	0.798	72%	0.721	S	S	*	*	S	Bend	trans	-144.8	1	-174.3	42.1	0	0	0	0	116.2
30	V	24.7	Very low	28	Very low	59 Å²	59	121.7 Å²	121.7	36%	0.358	75%	0.752	S	S	.	*			trans	-100.6	-2.4	-177.9	-175.4	0	0	0	0	113.7	A32 L34	V30-A32 PolarHBondContact O-N 2.73Å; V30-A32 VanDerWaalsContact O-N 3.1Å; V30-L34 HydrophobicContact CG1-CD1 4.28Å
31	A	26.8	Very low	27.8	Very low	110 Å²	110	124.6 Å²	124.6	91%	0.909	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-4	179.5	0	0	0	0	0	115.1
32	A	28.7	Very low	27.5	Very low	101 Å²	101	129 Å²	129	84%	0.835	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-3.4	-175.2	0	0	0	0	0	115.6	V30	V30-A32 PolarHBondContact O-N 2.73Å; V30-A32 VanDerWaalsContact O-N 3.1Å
33	A	27.7	Very low	27.4	Very low	83 Å²	83	130.1 Å²	130.1	69%	0.686	77%	0.768	S	S	*	*	S	Bend	trans	-131.7	10.7	-166.3	0	0	0	0	0	117.1
34	L	25.1	Very low	27.2	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	78%	0.784	S	S	*	*	S	Bend	trans	-125.6	128.6	176.6	-73.6	169.3	0	0	0	112.5	V30	V30-L34 HydrophobicContact CG1-CD1 4.28Å
35	P	30.6	Very low	27.1	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	79%	0.791	S	S	*	*			trans	-68.1	152.1	176.6	26.4	-31.5	0	0	0	112.1	K37	P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.18Å
36	P	40.5	Very low	27	Very low	132 Å²	132	135.9 Å²	135.9	86%	0.857	79%	0.79	S	S	*	*	S	Bend	trans	-83.8	34.1	-153.6	15.8	-3.8	0	0	0	116.2
37	K	29.9	Very low	26.9	Very low	204 Å²	204	134.6 Å²	134.6	89%	0.887	79%	0.788	S	S	*	*	S	Bend	trans	-99.6	6.4	-179.1	-94.4	-172.5	177.9	-179	0	116.8	P35	P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.18Å
38	Q	28.7	Very low	26.7	Very low	191 Å²	191	136 Å²	136	89%	0.893	79%	0.79	S	S	*	*	S	Bend	trans	-131.6	14.1	-176.8	-84.9	-178.4	-17	0	0	117.1
39	L	25.8	Very low	26.3	Very low	173 Å²	173	144.7 Å²	144.7	91%	0.906	80%	0.801	S	S	*	*			trans	-105.8	38	-179.2	-138.8	92.2	0	0	0	115
40	L	23.7	Very low	26.1	Very low	174 Å²	174	145.8 Å²	145.8	91%	0.911	80%	0.801	S	S	*	*			trans	-125.5	51.4	-179	-105.7	160.3	0	0	0	112.2
41	I	22.5	Very low	26.1	Very low	148 Å²	148	150.3 Å²	150.3	76%	0.759	82%	0.823	S	S	*	*	S	Bend	trans	-136.4	116.9	166.5	-62.1	-176.6	0	0	0	109.7
42	Q	22.3	Very low	26.1	Very low	171 Å²	171	154.3 Å²	154.3	80%	0.799	82%	0.82	S	S	*	*			trans	76.4	92.8	157.8	-69.7	171.7	9.9	0	0	119.7
43	T	24.6	Very low	26	Very low	140 Å²	140	157.2 Å²	157.2	86%	0.859	82%	0.819	S	S	*	*			trans	-131.1	71.9	134	8.8	0	0	0	0	108.9	C45	T43-C45 PolarHBondContact O-N 2.92Å; T43-C45 VanDerWaalsContact O-N 3.16Å
44	R	22	Very low	25.7	Very low	247 Å²	247	161.2 Å²	161.2	93%	0.932	82%	0.824	S	S	*	*			trans	-79.6	78.6	160	-81	-172	177.4	-173.1	0	107.8	A46	R44-A46 PolarHBondContact O-N 3.33Å
45	C	25	Very low	25.8	Very low	107 Å²	107	164 Å²	164	72%	0.723	83%	0.83	S	S	*	*			trans	-80.9	100.2	161.2	-90.2	0	0	0	0	108	T43 T47	T43-C45 PolarHBondContact O-N 2.92Å; T43-C45 VanDerWaalsContact O-N 3.16Å; C45-T47 PolarHBondContact O-N 3.43Å
46	A	22	Very low	25.7	Very low	100 Å²	100	167.2 Å²	167.2	83%	0.826	83%	0.833	S	S	*	*			trans	-65.6	109.9	161	0	0	0	0	0	108.3	R44	R44-A46 PolarHBondContact O-N 3.33Å
47	T	25.8	Very low	25.1	Very low	110 Å²	110	166.4 Å²	166.4	68%	0.675	83%	0.826	S	S	*	*			trans	-146	108	163	15.5	0	0	0	0	110.4	C45	C45-T47 PolarHBondContact O-N 3.43Å
48	L	24.8	Very low	25.4	Very low	154 Å²	154	161.3 Å²	161.3	81%	0.806	82%	0.822	S	S	*	*			trans	60.7	116.3	136.4	-66.2	160.8	0	0	0	119	I50	L48-I50 PolarHBondContact O-N 2.69Å
49	R	22	Very low	25.9	Very low	251 Å²	251	159.1 Å²	159.1	95%	0.947	82%	0.816	S	S	*	*			trans	-45.8	118	152.4	-83.3	179.4	176.9	170.1	-1.5	110.1
50	I	25.4	Very low	26.6	Very low	153 Å²	153	154.3 Å²	154.3	79%	0.785	79%	0.792	S	S	*	*			trans	-139.1	116.2	150.8	-61.2	-176.5	0	0	0	107.2	L48	L48-I50 PolarHBondContact O-N 2.69Å
51	D	24.7	Very low	27.7	Very low	155 Å²	155	154.5 Å²	154.5	83%	0.829	78%	0.78	S	S	*	*			trans	-69.3	122.1	163.5	-71	-46.8	0	0	0	109.3
52	K	25.5	Very low	29.2	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	75%	0.748	S	S	*	*			trans	169.7	139	133.7	-96	168.1	-179	178.6	0	110.5	E54	K52-E54 PolarHBondContact O-N 2.88Å
53	I	26.5	Very low	30.9	Very low	161 Å²	161	144.5 Å²	144.5	83%	0.826	75%	0.747	S	S	*	*			trans	-51.8	103.6	174.7	-62.2	162.7	0	0	0	109.2	F55	I53-F55 PolarHBondContact O-N 2.75Å
54	E	23.3	Very low	32.9	Very low	168 Å²	168	139 Å²	139	79%	0.785	71%	0.712	S	S	*	*			trans	-72.7	115.8	171.5	-82.6	-176.4	156.1	0	0	109.4	K52 K56	K52-E54 PolarHBondContact O-N 2.88Å; E54-K56 PolarHBondContact O-N 3.23Å; E54-K56 VanDerWaalsContact O-N 3.12Å
55	F	25.1	Very low	35.3	Very low	203 Å²	203	129 Å²	129	89%	0.89	69%	0.686	S	S	*	*			trans	-63.3	105.1	157.7	-90.4	-95.4	0	0	0	107.9	I53	I53-F55 PolarHBondContact O-N 2.75Å
56	K	30.2	Very low	38	Very low	175 Å²	175	124.2 Å²	124.2	76%	0.761	65%	0.653	S	S	*	*			trans	-66.4	141.3	176.8	-75.9	-176.6	176.3	179.9	0	111.5	E54	E54-K56 PolarHBondContact O-N 3.23Å; E54-K56 VanDerWaalsContact O-N 3.12Å
57	T	27.4	Very low	40.9	Very low	115 Å²	115	122.8 Å²	122.8	71%	0.706	63%	0.629	S	S	*	*			trans	-70.6	150.7	-166.8	44.7	0	0	0	0	114.6	D59	T57-D59 PolarHBondContact O-N 2.88Å
58	A	36.5	Very low	44	Very low	97 Å²	97	117.6 Å²	117.6	80%	0.802	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	15.2	-169.1	0	0	0	0	0	118.4
59	D	37.9	Very low	47.3	Very low	145 Å²	145	114.8 Å²	114.8	78%	0.775	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	10.3	-175.3	-138.7	11.8	0	0	0	114.7	T57 R61	T57-D59 PolarHBondContact O-N 2.88Å; D59-R61 PolarHBondContact O-N 3.28Å; D59-R61 VanDerWaalsContact O-N 3.11Å
60	D	42.1	Very low	50.9	Low	72 Å²	72	102.9 Å²	102.9	39%	0.385	53%	0.531	S	S	.	.			trans	-82.6	35.8	175.7	-85.3	-23.6	0	0	0	113.4	N62	D60-N62 PolarHBondContact O-N 2.98Å
61	R	45.5	Very low	54.3	Low	178 Å²	178	96.9 Å²	96.9	67%	0.672	50%	0.499	S	S	*	.			trans	-69.7	124.1	176.8	-68	-178.9	-170.2	-166.7	3.3	109.8	D59 G65	D59-R61 PolarHBondContact O-N 3.28Å; D59-R61 VanDerWaalsContact O-N 3.11Å; R61-G65 WeakPolarHBondContact CD-O 3.46Å; R61-G65 WeakPolarHBondContact CG-O 3.44Å
62	N	55.2	Low	57.6	Low	16 Å²	16	89.6 Å²	89.6	9%	0.086	46%	0.46	C	S	.	.			trans	-71.3	-175.5	174.2	63.6	25.4	0	0	0	111.6	D60 L64 G65 V66 L68 S92	D60-N62 PolarHBondContact O-N 2.98Å; N62-L64 PolarHBondContact O-N 3.45Å; N62-L64 WeakPolarHBondContact OD1-CA 3.39Å; N62-L64 VanDerWaalsContact OD1-CB 3.22Å; N62-L64 WeakPolarHBondContact OD1-CB 3.21Å; N62-L64 PolarHBondContact OD1-N 3.29Å; N62-G65 PolarHBondContact O-N 3.24Å; N62-G65 PolarHBondContact OD1-N 3.07Å; N62-V66 PolarHBondContact N-O 3.18Å; N62-V66 PolarHBondContact ND2-O 3.36Å; N62-V66 PolarHBondContact OD1-O 3.32Å; N62-L68 VanDerWaalsContact ND2-CD1 3.31Å; N62-L68 WeakPolarHBondContact ND2-CD1 3.47Å; N62-L68 WeakPolarHBondContact ND2-CG 3.32Å; N62-S92 PolarHBondContact ND2-O 3.45Å
63	A	57.3	Low	60.7	Low	93 Å²	93	83 Å²	83	77%	0.769	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-19	177.5	0	0	0	0	0	114.5
64	L	66.3	Low	63.4	Low	24 Å²	24	77.1 Å²	77.1	13%	0.126	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.6	177.3	-47.5	-178.5	0	0	0	113.8	N62 V66 F91 L137 H140 F148	N62-L64 PolarHBondContact O-N 3.45Å; N62-L64 WeakPolarHBondContact OD1-CA 3.39Å; N62-L64 VanDerWaalsContact OD1-CB 3.22Å; N62-L64 WeakPolarHBondContact OD1-CB 3.21Å; N62-L64 PolarHBondContact OD1-N 3.29Å; L64-V66 VanDerWaalsContact C-N 3.27Å; L64-V66 HydrophobicContact CB-CG2 3.98Å; L64-V66 HydrophobicContact CD1-CG2 4.45Å; L64-V66 PolarHBondContact O-N 3.46Å; L64-F91 HydrophobicContact CD1-CD1 4.14Å; L64-F91 HydrophobicContact CD1-CE1 3.54Å; L64-F91 HydrophobicContact CD2-CE1 3.94Å; L64-F91 HydrophobicContact CG-CD1 4.24Å; L64-F91 HydrophobicContact CG-CE1 3.62Å; L64-L137 HydrophobicContact CD1-CD2 3.78Å; L64-H140 WeakPolarHBondContact CD2-CD2 3.4Å; L64-F148 HydrophobicContact CB-CZ 4.21Å
65	G	72.5	Confident	66.4	Low	37 Å²	37	69.9 Å²	69.9	38%	0.381	37%	0.366	S	S	.	.	S	Bend	trans	76.1	8	-176.6	0	0	0	0	0	114.9	R61 N62	R61-G65 WeakPolarHBondContact CD-O 3.46Å; R61-G65 WeakPolarHBondContact CG-O 3.44Å; N62-G65 PolarHBondContact O-N 3.24Å; N62-G65 PolarHBondContact OD1-N 3.07Å
66	V	81.1	Confident	69.6	Low	7 Å²	7	61.2 Å²	61.2	4%	0.042	33%	0.33	C	S	.	.	S	Bend	trans	-122	158.7	-176.5	-60.5	0	0	0	0	112.5	N62 L64 L68 F119 F148	N62-V66 PolarHBondContact N-O 3.18Å; N62-V66 PolarHBondContact ND2-O 3.36Å; N62-V66 PolarHBondContact OD1-O 3.32Å; L64-V66 VanDerWaalsContact C-N 3.27Å; L64-V66 HydrophobicContact CB-CG2 3.98Å; L64-V66 HydrophobicContact CD1-CG2 4.45Å; L64-V66 PolarHBondContact O-N 3.46Å; V66-L68 HydrophobicContact CG2-CD2 4.13Å; V66-F119 HydrophobicContact CB-CB 4.27Å; V66-F119 HydrophobicContact CB-CD2 4.05Å; V66-F119 HydrophobicContact CB-CG 4.48Å; V66-F119 HydrophobicContact CG1-CD2 4Å; V66-F119 HydrophobicContact CG2-CB 4.26Å; V66-F119 HydrophobicContact CG2-CD2 3.94Å; V66-F119 HydrophobicContact CG2-CG 4.19Å; V66-F148 HydrophobicContact CG1-CE2 4Å; V66-F148 HydrophobicContact CG1-CZ 4.16Å; V66-F148 HydrophobicContact CG2-CZ 4.36Å
67	H	83.3	Confident	72.7	Confident	71 Å²	71	53.6 Å²	53.6	33%	0.329	30%	0.298	S	S	.	.			trans	-97.8	112.6	172.8	-177.8	73.8	0	0	0	109.9	E94 F119	H67-E94 IonicContact CD2-OE2 2.77Å; H67-E94 IonicContact CE1-OE2 2.83Å; H67-E94 WeakPolarHBondContact NE2-CB 3.43Å; H67-E94 IonicContact NE2-OE2 3.78Å; H67-E94 PolarHBondContact NE2-OE2 2.92Å; H67-F119 VanDerWaalsContact O-CB 3.26Å; H67-F119 WeakPolarHBondContact O-CB 3.49Å
68	L	91.9	Very high	76	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.6	179.9	-61.7	170.9	0	0	0	110.1	N62 V66 L86 F91 Y93 E94 V117 F119 L137	N62-L68 VanDerWaalsContact ND2-CD1 3.31Å; N62-L68 WeakPolarHBondContact ND2-CD1 3.47Å; N62-L68 WeakPolarHBondContact ND2-CG 3.32Å; V66-L68 HydrophobicContact CG2-CD2 4.13Å; L68-L86 HydrophobicContact CD1-CD2 3.96Å; L68-F91 HydrophobicContact CD1-CB 4.17Å; L68-F91 HydrophobicContact CD1-CD1 4.01Å; L68-F91 HydrophobicContact CD1-CG 4.35Å; L68-Y93 CarbonylContact O-C 3.47Å; L68-Y93 WeakPolarHBondContact O-CA 3.32Å; L68-Y93 WeakPolarHBondContact O-CB 3.07Å; L68-E94 PolarHBondContact O-N 3.44Å; L68-V117 HydrophobicContact CB-CG1 4.39Å; L68-V117 HydrophobicContact CD2-CG1 3.86Å; L68-F119 HydrophobicContact CD2-CB 4.05Å; L68-F119 HydrophobicContact CD2-CD1 3.78Å; L68-F119 HydrophobicContact CD2-CG 4.06Å; L68-L137 HydrophobicContact CD1-CD1 4.31Å; L68-L137 HydrophobicContact CD2-CD2 4.25Å
69	R	94.6	Very high	78.8	Confident	96 Å²	96	46.3 Å²	46.3	36%	0.362	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.4	165.8	-75.7	-176.6	-171.9	143.3	13.2	110.3	Y71 E94 V117 T118	R69-Y71 HydrophobicContact CB-CE2 4.24Å; R69-E94 CarbonylContact C-O 3.57Å; R69-E94 WeakPolarHBondContact CA-O 3.39Å; R69-E94 WeakPolarHBondContact CD-OE2 3.33Å; R69-E94 HydrophobicContact CG-CB 4.1Å; R69-E94 HydrophobicContact CG-CG 4.32Å; R69-E94 WeakPolarHBondContact CG-OE2 3.43Å; R69-E94 IonicContact CZ-OE2 2.77Å; R69-E94 IonicContact NE-OE1 2.54Å; R69-E94 IonicContact NE-OE2 3.52Å; R69-E94 PolarHBondContact NE-OE2 3.04Å; R69-V117 CarbonylContact O-C 3.13Å; R69-V117 VanDerWaalsContact O-CA 3.26Å; R69-V117 WeakPolarHBondContact O-CA 3.3Å; R69-T118 PolarHBondContact N-O 2.85Å; R69-T118 PolarHBondContact O-N 3Å
70	V	96.1	Very high	81.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.2	-177.1	-177.9	0	0	0	0	109.2	Q72 L82 L86 Y93 E94 L95 V96 V117	V70-Q72 HydrophobicContact CG1-CB 4.48Å; V70-L82 HydrophobicContact CG1-CD2 3.88Å; V70-L86 HydrophobicContact CG2-CD1 3.62Å; V70-Y93 HydrophobicContact CB-CD2 4.36Å; V70-Y93 HydrophobicContact CG2-CD2 3.8Å; V70-Y93 HydrophobicContact CG2-CG 4.12Å; V70-E94 PolarHBondContact N-O 2.8Å; V70-L95 HydrophobicContact CB-CD2 4.12Å; V70-L95 HydrophobicContact CG1-CD2 4.21Å; V70-V96 PolarHBondContact O-N 2.97Å; V70-V117 HydrophobicContact CB-CG2 4.38Å; V70-V117 HydrophobicContact CG1-CG2 4.35Å; V70-V117 HydrophobicContact CG2-CG2 3.91Å
71	Y	96.3	Very high	84.2	Confident	27 Å²	27	36 Å²	36	11%	0.106	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120	173.2	-58	-96.2	0	0	0	109.6	R69 V96 Q105 I106 F108 P115 I116 T118	R69-Y71 HydrophobicContact CB-CE2 4.24Å; Y71-V96 WeakPolarHBondContact CA-O 3.44Å; Y71-V96 HydrophobicContact CD1-CB 3.7Å; Y71-V96 HydrophobicContact CD1-CG1 3.62Å; Y71-V96 HydrophobicContact CD1-CG2 4.3Å; Y71-V96 HydrophobicContact CE1-CB 3.99Å; Y71-V96 HydrophobicContact CE1-CG1 3.81Å; Y71-V96 HydrophobicContact CE1-CG2 4.12Å; Y71-V96 HydrophobicContact CG-CB 4.31Å; Y71-Q105 HydrophobicContact CD1-CB 4.29Å; Y71-Q105 WeakPolarHBondContact CE1-O 3.47Å; Y71-I106 HydrophobicContact CD1-CG2 3.96Å; Y71-I106 HydrophobicContact CG-CG2 3.97Å; Y71-F108 HydrophobicContact CD1-CE1 4.37Å; Y71-F108 HydrophobicContact CD2-CZ 4.11Å; Y71-F108 AromaticContact CE1-CE1 3.77Å; Y71-F108 HydrophobicContact CE1-CE1 3.77Å; Y71-F108 HydrophobicContact CE1-CZ 4.24Å; Y71-F108 AromaticContact CE2-CE1 3.99Å; Y71-F108 HydrophobicContact CE2-CE1 3.99Å; Y71-F108 AromaticContact CE2-CZ 3.63Å; Y71-F108 HydrophobicContact CE2-CZ 3.63Å; Y71-F108 AromaticContact CZ-CE1 3.56Å; Y71-F108 AromaticContact CZ-CZ 3.7Å; Y71-P115 WeakPolarHBondContact O-CA 3.47Å; Y71-I116 HydrophobicContact CD2-CB 4.2Å; Y71-I116 HydrophobicContact CD2-CG2 4.3Å; Y71-I116 PolarHBondContact N-O 3Å; Y71-I116 PolarHBondContact O-N 3.44Å; Y71-I116 VanDerWaalsContact O-N 3.09Å; Y71-T118 HydrophobicContact CE2-CG2 3.96Å
72	Q	95	Very high	86.6	Confident	3 Å²	3	27.5 Å²	27.5	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	171.3	-171.6	66.2	153.4	6.1	0	0	114.7	V70 C79 L95 V96 V98	V70-Q72 HydrophobicContact CG1-CB 4.48Å; Q72-C79 HydrophobicContact CB-CB 3.71Å; Q72-L95 HydrophobicContact CG-CD2 3.97Å; Q72-V96 PolarHBondContact N-O 3.37Å; Q72-V98 PolarHBondContact O-N 3.02Å
73	Y	90.6	Very high	88.5	Confident	54 Å²	54	27.4 Å²	27.4	21%	0.212	15%	0.15	C	C	.	.			trans	-108.8	131.2	148.5	-52.5	-47.7	0	0	0	107.7	N75 C76 C79 E97 V98 P100 K103 V114	Y73-N75 PolarHBondContact O-N 3.3Å; Y73-N75 VanDerWaalsContact O-N 3.12Å; Y73-C76 HydrophobicContact CD2-CB 4.36Å; Y73-C76 WeakPolarHBondContact O-CB 3.48Å; Y73-C76 PolarHBondContact O-N 2.88Å; Y73-C76 VanDerWaalsContact O-N 3.08Å; Y73-C79 VanDerWaalsContact O-CB 3.3Å; Y73-C79 WeakPolarHBondContact O-CB 3.46Å; Y73-E97 WeakPolarHBondContact CA-OE1 3.45Å; Y73-V98 HydrophobicContact CD1-CB 4.05Å; Y73-V98 VanDerWaalsContact CD1-O 3.31Å; Y73-V98 WeakPolarHBondContact CD1-O 3.45Å; Y73-V98 HydrophobicContact CE1-CB 3.63Å; Y73-V98 HydrophobicContact CE1-CG1 3.83Å; Y73-V98 WeakPolarHBondContact CE1-O 3.44Å; Y73-P100 HydrophobicContact CE1-CB 4.01Å; Y73-K103 WeakPolarHBondContact OH-CE 3.28Å; Y73-V114 HydrophobicContact CD2-CG2 3.35Å; Y73-V114 HydrophobicContact CE2-CG2 3.52Å; Y73-V114 HydrophobicContact CG-CG2 3.88Å
74	H	83.4	Confident	90.3	Very high	39 Å²	39	23 Å²	23	18%	0.181	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41	-175.7	-168.9	95	0	0	0	113	S80 R83 E97 S232	H74-S80 PolarHBondContact O-OG 2.89Å; H74-S80 VanDerWaalsContact O-OG 3.07Å; H74-R83 PolarHBondContact NE2-NH2 3.02Å; H74-R83 PolarHBondContact O-NH2 2.97Å; H74-E97 PolarHBondContact N-OE1 3.41Å; H74-E97 PolarHBondContact N-OE2 3.43Å; H74-E97 VanDerWaalsContact N-OE2 3.17Å; H74-S232 WeakPolarHBondContact CB-OG 3.39Å; H74-S232 VanDerWaalsContact CG-OG 3.26Å
75	N	85.3	Confident	91.6	Very high	16 Å²	16	21.9 Å²	21.9	9%	0.086	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	12	-173.5	-50.1	-70.9	0	0	0	113.5	Y73 P77 W227 F228	Y73-N75 PolarHBondContact O-N 3.3Å; Y73-N75 VanDerWaalsContact O-N 3.12Å; N75-P77 WeakPolarHBondContact O-CD 3.44Å; N75-W227 WeakPolarHBondContact OD1-CZ3 3.29Å; N75-F228 HydrophobicContact CB-CD1 3.46Å; N75-F228 VanDerWaalsContact CB-CD1 3.46Å; N75-F228 HydrophobicContact CB-CD2 4.07Å; N75-F228 HydrophobicContact CB-CE1 3.41Å; N75-F228 VanDerWaalsContact CB-CE1 3.41Å; N75-F228 HydrophobicContact CB-CE2 4.05Å; N75-F228 HydrophobicContact CB-CG 3.8Å; N75-F228 HydrophobicContact CB-CZ 3.73Å; N75-F228 VanDerWaalsContact CG-CE1 3.42Å; N75-F228 WeakPolarHBondContact ND2-CA 3.37Å; N75-F228 WeakPolarHBondContact ND2-CB 3.39Å; N75-F228 WeakPolarHBondContact ND2-CD1 3.43Å; N75-F228 WeakPolarHBondContact ND2-CG 3.39Å; N75-F228 WeakPolarHBondContact OD1-CD1 3.34Å
76	C	92.7	Very high	92.6	Very high	20 Å²	20	20.1 Å²	20.1	14%	0.135	9%	0.09	C	C	.	.			trans	-76.7	123.3	171.6	172.3	0	0	0	0	108.8	Y73 F78 C79 S80	Y73-C76 HydrophobicContact CD2-CB 4.36Å; Y73-C76 WeakPolarHBondContact O-CB 3.48Å; Y73-C76 PolarHBondContact O-N 2.88Å; Y73-C76 VanDerWaalsContact O-N 3.08Å; C76-F78 PolarHBondContact O-N 3.45Å; C76-C79 HydrophobicContact CB-CB 3.86Å; C76-C79 VanDerWaalsContact CB-SG 3.59Å; C76-C79 WeakPolarHBondContact O-CB 3.42Å; C76-C79 PolarHBondContact O-N 3.43Å; C76-C79 VanDerWaalsContact SG-SG 3.69Å; C76-S80 PolarHBondContact O-N 3.05Å; C76-S80 PolarHBondContact O-OG 3.19Å
77	P	95	Very high	93	Very high	15 Å²	15	22.4 Å²	22.4	10%	0.097	10%	0.1	C	C	.	.	H	α-helix	trans	-52.7	-42.6	178.6	-26.7	33.2	0	0	0	112.6	N75 C79 S80 K81 V207 I210	N75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-C79 PolarHBondContact O-N 3.1Å; P77-S80 PolarHBondContact O-N 3.05Å; P77-K81 VanDerWaalsContact O-CG 3.32Å; P77-K81 WeakPolarHBondContact O-CG 3.43Å; P77-K81 PolarHBondContact O-N 3.08Å; P77-V207 HydrophobicContact CB-CG1 3.88Å; P77-V207 HydrophobicContact CB-CG2 4Å; P77-V207 HydrophobicContact CG-CG1 4.18Å; P77-I210 HydrophobicContact CB-CD1 3.8Å; P77-I210 HydrophobicContact CG-CB 4.47Å; P77-I210 HydrophobicContact CG-CD1 3.69Å; P77-I210 HydrophobicContact CG-CG2 4.25Å
78	F	96.6	Very high	93.4	Very high	59 Å²	59	19.4 Å²	19.4	26%	0.259	9%	0.086	S	C	.	.	H	α-helix	trans	-62.9	-38.6	176.8	-58.8	-74.9	0	0	0	113	C76 L82 S130 V207	C76-F78 PolarHBondContact O-N 3.45Å; F78-L82 PolarHBondContact O-N 3.27Å; F78-S130 WeakPolarHBondContact O-CB 3.49Å; F78-V207 HydrophobicContact CD2-CG1 4.41Å; F78-V207 HydrophobicContact CE1-CG1 4.18Å; F78-V207 HydrophobicContact CE2-CG1 3.69Å; F78-V207 HydrophobicContact CZ-CB 4.34Å; F78-V207 HydrophobicContact CZ-CG1 3.56Å
79	C	96.3	Very high	93.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-71	-42.1	177.3	-62.2	0	0	0	0	111.7	Q72 Y73 C76 P77 K81 L82 R83	Q72-C79 HydrophobicContact CB-CB 3.71Å; Y73-C79 VanDerWaalsContact O-CB 3.3Å; Y73-C79 WeakPolarHBondContact O-CB 3.46Å; C76-C79 HydrophobicContact CB-CB 3.86Å; C76-C79 VanDerWaalsContact CB-SG 3.59Å; C76-C79 WeakPolarHBondContact O-CB 3.42Å; C76-C79 PolarHBondContact O-N 3.43Å; C76-C79 VanDerWaalsContact SG-SG 3.69Å; P77-C79 PolarHBondContact O-N 3.1Å; C79-K81 VanDerWaalsContact C-N 3.3Å; C79-K81 PolarHBondContact O-N 3Å; C79-L82 WeakPolarHBondContact O-CB 3.44Å; C79-L82 PolarHBondContact O-N 2.85Å; C79-L82 VanDerWaalsContact O-N 3.11Å; C79-R83 PolarHBondContact O-N 2.96Å
80	S	95.4	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-35.3	177.8	-60.7	0	0	0	0	112.6	H74 C76 P77 R83 A84 G307 S311	H74-S80 PolarHBondContact O-OG 2.89Å; H74-S80 VanDerWaalsContact O-OG 3.07Å; C76-S80 PolarHBondContact O-N 3.05Å; C76-S80 PolarHBondContact O-OG 3.19Å; P77-S80 PolarHBondContact O-N 3.05Å; S80-R83 PolarHBondContact O-N 2.98Å; S80-R83 PolarHBondContact OG-NH2 2.85Å; S80-A84 WeakPolarHBondContact O-CB 3.24Å; S80-A84 PolarHBondContact O-N 3.07Å; S80-G307 WeakPolarHBondContact CB-O 3.37Å; S80-S311 WeakPolarHBondContact OG-CB 3.47Å
81	K	97	Very high	92.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-47.2	169.8	-70.7	-168.2	-59.3	140	0	112.9	P77 C79 A84 F85 S130 S131 I134 V202 D203 A304	P77-K81 VanDerWaalsContact O-CG 3.32Å; P77-K81 WeakPolarHBondContact O-CG 3.43Å; P77-K81 PolarHBondContact O-N 3.08Å; C79-K81 VanDerWaalsContact C-N 3.3Å; C79-K81 PolarHBondContact O-N 3Å; K81-A84 PolarHBondContact O-N 3.21Å; K81-F85 PolarHBondContact O-N 2.88Å; K81-S130 WeakPolarHBondContact CE-OG 3.33Å; K81-S130 PolarHBondContact NZ-OG 3.32Å; K81-S131 PolarHBondContact NZ-OG 2.86Å; K81-I134 HydrophobicContact CB-CD1 4.4Å; K81-V202 HydrophobicContact CD-CG1 4.03Å; K81-D203 WeakPolarHBondContact CE-OD1 3.27Å; K81-D203 IonicContact NZ-OD1 3.55Å; K81-D203 PolarHBondContact NZ-OD1 3.31Å; K81-D203 IonicContact NZ-OD2 3.57Å; K81-A304 HydrophobicContact CD-CB 3.88Å; K81-A304 WeakPolarHBondContact CD-O 3.15Å; K81-A304 HydrophobicContact CG-CB 4.47Å; K81-A304 WeakPolarHBondContact CG-O 3.3Å
82	L	97.1	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-43.4	178.9	175.5	61.7	0	0	0	110.9	V70 F78 C79 F85 L86 P115 V117 I133 I134	V70-L82 HydrophobicContact CG1-CD2 3.88Å; F78-L82 PolarHBondContact O-N 3.27Å; C79-L82 WeakPolarHBondContact O-CB 3.44Å; C79-L82 PolarHBondContact O-N 2.85Å; C79-L82 VanDerWaalsContact O-N 3.11Å; L82-F85 HydrophobicContact CD1-CD1 4.35Å; L82-F85 WeakPolarHBondContact O-CB 3.44Å; L82-F85 PolarHBondContact O-N 2.84Å; L82-L86 HydrophobicContact CD1-CD1 4.14Å; L82-L86 HydrophobicContact CD1-CD2 4.45Å; L82-L86 HydrophobicContact CD1-CG 4.07Å; L82-L86 HydrophobicContact CG-CD1 3.97Å; L82-L86 HydrophobicContact CG-CG 4.34Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-P115 HydrophobicContact CB-CG 4.38Å; L82-P115 HydrophobicContact CD2-CB 3.7Å; L82-P115 HydrophobicContact CD2-CG 3.95Å; L82-V117 HydrophobicContact CD2-CG2 3.61Å; L82-I133 HydrophobicContact CD1-CB 4.17Å; L82-I133 HydrophobicContact CD1-CG2 3.45Å; L82-I133 VanDerWaalsContact CD1-CG2 3.45Å; L82-I133 HydrophobicContact CD2-CD1 4.08Å; L82-I133 HydrophobicContact CD2-CG2 4.16Å; L82-I133 HydrophobicContact CG-CG2 4.47Å; L82-I134 HydrophobicContact CD1-CG1 4.1Å
83	R	94.3	Very high	91.2	Very high	14 Å²	14	22.2 Å²	22.2	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-47.7	176.4	-73.1	-168.8	-69.9	117.9	-7.1	112.2	H74 C79 S80 F85 L86 E87 L95	H74-R83 PolarHBondContact NE2-NH2 3.02Å; H74-R83 PolarHBondContact O-NH2 2.97Å; C79-R83 PolarHBondContact O-N 2.96Å; S80-R83 PolarHBondContact O-N 2.98Å; S80-R83 PolarHBondContact OG-NH2 2.85Å; R83-F85 PolarHBondContact O-N 2.84Å; R83-L86 PolarHBondContact O-N 2.9Å; R83-L86 VanDerWaalsContact O-N 3.09Å; R83-E87 WeakPolarHBondContact O-CB 3.37Å; R83-E87 VanDerWaalsContact O-CG 3.3Å; R83-E87 WeakPolarHBondContact O-CG 3.17Å; R83-E87 PolarHBondContact O-N 3.34Å; R83-L95 HydrophobicContact CG-CD2 4.43Å
84	A	94.7	Very high	91.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-40.5	176.9	0	0	0	0	0	112	S80 K81 Y88 I303 Y306	S80-A84 WeakPolarHBondContact O-CB 3.24Å; S80-A84 PolarHBondContact O-N 3.07Å; K81-A84 PolarHBondContact O-N 3.21Å; A84-Y88 WeakPolarHBondContact O-CB 3.32Å; A84-Y88 PolarHBondContact O-N 3.44Å; A84-I303 HydrophobicContact CB-CG2 3.85Å; A84-Y306 HydrophobicContact CB-CD1 3.67Å; A84-Y306 HydrophobicContact CB-CE1 3.84Å
85	F	94.9	Very high	91.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-50.4	172.7	168	-93.5	0	0	0	112.5	K81 L82 R83 E87 Y88 F89 F91 I134 L137 Q138 L300 I303	K81-F85 PolarHBondContact O-N 2.88Å; L82-F85 HydrophobicContact CD1-CD1 4.35Å; L82-F85 WeakPolarHBondContact O-CB 3.44Å; L82-F85 PolarHBondContact O-N 2.84Å; R83-F85 PolarHBondContact O-N 2.84Å; F85-E87 VanDerWaalsContact C-N 3.28Å; F85-E87 PolarHBondContact O-N 2.83Å; F85-Y88 PolarHBondContact O-N 2.89Å; F85-F89 AromaticContact CD2-CD2 3.33Å; F85-F89 HydrophobicContact CD2-CD2 3.33Å; F85-F89 AromaticContact CD2-CE2 3.48Å; F85-F89 HydrophobicContact CD2-CE2 3.48Å; F85-F89 VanDerWaalsContact CD2-CE2 3.48Å; F85-F89 AromaticContact CE2-CD2 3.24Å; F85-F89 HydrophobicContact CE2-CD2 3.24Å; F85-F89 AromaticContact CE2-CE2 3.42Å; F85-F89 HydrophobicContact CE2-CE2 3.42Å; F85-F89 VanDerWaalsContact CE2-CE2 3.42Å; F85-F89 HydrophobicContact CE2-CG 4.16Å; F85-F89 HydrophobicContact CE2-CZ 4.45Å; F85-F89 HydrophobicContact CG-CD2 4.14Å; F85-F89 AromaticContact CZ-CD2 3.98Å; F85-F89 HydrophobicContact CZ-CD2 3.98Å; F85-F89 WeakPolarHBondContact O-CD2 3.42Å; F85-F89 PolarHBondContact O-N 3.47Å; F85-F91 HydrophobicContact CD1-CD2 4.5Å; F85-F91 HydrophobicContact CD1-CE2 4.43Å; F85-F91 AromaticContact CE1-CD2 3.9Å; F85-F91 HydrophobicContact CE1-CD2 3.9Å; F85-F91 AromaticContact CE1-CE2 3.49Å; F85-F91 HydrophobicContact CE1-CE2 3.49Å; F85-F91 VanDerWaalsContact CE1-CE2 3.49Å; F85-F91 HydrophobicContact CE1-CZ 4.24Å; F85-F91 HydrophobicContact CZ-CD2 4.38Å; F85-F91 AromaticContact CZ-CE2 3.56Å; F85-F91 HydrophobicContact CZ-CE2 3.56Å; F85-F91 HydrophobicContact CZ-CZ 4.19Å; F85-I134 HydrophobicContact CB-CD1 4.06Å; F85-I134 HydrophobicContact CB-CG1 3.82Å; F85-I134 HydrophobicContact CD1-CG1 4Å; F85-I134 HydrophobicContact CD2-CB 4.39Å; F85-I134 HydrophobicContact CD2-CG1 4.19Å; F85-I134 HydrophobicContact CD2-CG2 3.67Å; F85-I134 HydrophobicContact CE2-CG2 3.92Å; F85-I134 HydrophobicContact CG-CB 4.36Å; F85-I134 HydrophobicContact CG-CD1 4.46Å; F85-I134 HydrophobicContact CG-CG1 3.73Å; F85-I134 HydrophobicContact CG-CG2 4.11Å; F85-L137 HydrophobicContact CE1-CB 3.71Å; F85-L137 HydrophobicContact CE1-CD1 3.87Å; F85-L137 HydrophobicContact CE1-CG 4.45Å; F85-L137 HydrophobicContact CZ-CB 3.87Å; F85-Q138 HydrophobicContact CE2-CB 4.01Å; F85-Q138 HydrophobicContact CZ-CB 4.14Å; F85-L300 HydrophobicContact CD2-CD2 3.71Å; F85-L300 HydrophobicContact CE2-CD2 3.79Å; F85-I303 HydrophobicContact CB-CG2 4.1Å
86	L	92.7	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-40	-178.5	-66.7	171.4	0	0	0	111.5	L68 V70 L82 R83 G90 F91 Y93 L137	L68-L86 HydrophobicContact CD1-CD2 3.96Å; V70-L86 HydrophobicContact CG2-CD1 3.62Å; L82-L86 HydrophobicContact CD1-CD1 4.14Å; L82-L86 HydrophobicContact CD1-CD2 4.45Å; L82-L86 HydrophobicContact CD1-CG 4.07Å; L82-L86 HydrophobicContact CG-CD1 3.97Å; L82-L86 HydrophobicContact CG-CG 4.34Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 2.93Å; R83-L86 PolarHBondContact O-N 2.9Å; R83-L86 VanDerWaalsContact O-N 3.09Å; L86-G90 PolarHBondContact O-N 3.47Å; L86-F91 HydrophobicContact CB-CB 4.15Å; L86-F91 HydrophobicContact CD2-CB 3.57Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CG-CB 4.46Å; L86-F91 PolarHBondContact O-N 2.81Å; L86-Y93 HydrophobicContact CB-CD1 3.64Å; L86-Y93 HydrophobicContact CB-CE1 3.53Å; L86-Y93 HydrophobicContact CD1-CD1 3.78Å; L86-Y93 HydrophobicContact CD1-CD2 4.11Å; L86-Y93 HydrophobicContact CD1-CE1 4.13Å; L86-Y93 HydrophobicContact CD1-CE2 4.38Å; L86-Y93 HydrophobicContact CD1-CG 3.8Å; L86-Y93 HydrophobicContact CG-CD1 4.24Å; L86-Y93 HydrophobicContact CG-CE1 4.47Å; L86-L137 HydrophobicContact CD2-CD1 3.84Å
87	E	91	Very high	91.8	Very high	54 Å²	54	26.1 Å²	26.1	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-68.2	-47.7	177.1	-71	162.4	-169.2	0	0	111.7	R83 F85 F89 G90 Y93 V338	R83-E87 WeakPolarHBondContact O-CB 3.37Å; R83-E87 VanDerWaalsContact O-CG 3.3Å; R83-E87 WeakPolarHBondContact O-CG 3.17Å; R83-E87 PolarHBondContact O-N 3.34Å; F85-E87 VanDerWaalsContact C-N 3.28Å; F85-E87 PolarHBondContact O-N 2.83Å; E87-F89 PolarHBondContact O-N 3.2Å; E87-G90 PolarHBondContact O-N 3.03Å; E87-Y93 HydrophobicContact CG-CE1 4.38Å; E87-Y93 PolarHBondContact OE1-OH 3.4Å; E87-V338 HydrophobicContact CB-CG1 3.66Å
88	Y	90.6	Very high	91.6	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-40.8	-179.6	-176.9	-106.9	0	0	0	112.8	A84 F85 P298 I303 Q337 V338 H341	A84-Y88 WeakPolarHBondContact O-CB 3.32Å; A84-Y88 PolarHBondContact O-N 3.44Å; F85-Y88 PolarHBondContact O-N 2.89Å; Y88-P298 HydrophobicContact CE2-CB 4.49Å; Y88-P298 HydrophobicContact CE2-CG 4.29Å; Y88-P298 PolarHBondContact OH-O 2.99Å; Y88-I303 HydrophobicContact CD1-CD1 3.95Å; Y88-I303 HydrophobicContact CD1-CG1 4.05Å; Y88-I303 HydrophobicContact CD2-CD1 3.77Å; Y88-I303 HydrophobicContact CE1-CD1 4.43Å; Y88-I303 HydrophobicContact CE1-CG1 4.49Å; Y88-I303 HydrophobicContact CE2-CD1 4.29Å; Y88-I303 HydrophobicContact CG-CD1 3.6Å; Y88-I303 HydrophobicContact CG-CG1 4.17Å; Y88-Q337 HydrophobicContact CE2-CB 4.07Å; Y88-V338 HydrophobicContact CD2-CG2 4.05Å; Y88-V338 HydrophobicContact CG-CG2 4.49Å; Y88-H341 WeakPolarHBondContact O-CB 3.4Å
89	F	87.1	Confident	91.2	Very high	49 Å²	49	22.7 Å²	22.7	22%	0.215	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5	178.8	-70.7	-76.1	0	0	0	113.6	F85 E87 F91 L300	F85-F89 AromaticContact CD2-CD2 3.33Å; F85-F89 HydrophobicContact CD2-CD2 3.33Å; F85-F89 AromaticContact CD2-CE2 3.48Å; F85-F89 HydrophobicContact CD2-CE2 3.48Å; F85-F89 VanDerWaalsContact CD2-CE2 3.48Å; F85-F89 AromaticContact CE2-CD2 3.24Å; F85-F89 HydrophobicContact CE2-CD2 3.24Å; F85-F89 AromaticContact CE2-CE2 3.42Å; F85-F89 HydrophobicContact CE2-CE2 3.42Å; F85-F89 VanDerWaalsContact CE2-CE2 3.42Å; F85-F89 HydrophobicContact CE2-CG 4.16Å; F85-F89 HydrophobicContact CE2-CZ 4.45Å; F85-F89 HydrophobicContact CG-CD2 4.14Å; F85-F89 AromaticContact CZ-CD2 3.98Å; F85-F89 HydrophobicContact CZ-CD2 3.98Å; F85-F89 WeakPolarHBondContact O-CD2 3.42Å; F85-F89 PolarHBondContact O-N 3.47Å; E87-F89 PolarHBondContact O-N 3.2Å; F89-F91 HydrophobicContact CB-CD2 3.66Å; F89-F91 HydrophobicContact CB-CE2 3.41Å; F89-F91 VanDerWaalsContact CB-CE2 3.41Å; F89-F91 HydrophobicContact CB-CZ 4.5Å; F89-F91 HydrophobicContact CG-CE2 4.29Å; F89-F91 PolarHBondContact O-N 2.87Å; F89-L300 HydrophobicContact CE2-CD2 3.59Å; F89-L300 HydrophobicContact CZ-CD2 4Å
90	G	83.7	Confident	90.7	Very high	36 Å²	36	25 Å²	25	37%	0.371	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	28.5	173.3	0	0	0	0	0	114.8	L86 E87 S92	L86-G90 PolarHBondContact O-N 3.47Å; E87-G90 PolarHBondContact O-N 3.03Å; G90-S92 PolarHBondContact O-N 3.37Å
91	F	85.7	Confident	90.2	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.044	16%	0.158	C	C	.	.			trans	-68.8	130.4	172.7	-70.4	-82.9	0	0	0	110	L64 L68 F85 L86 F89 Y93 L137	L64-F91 HydrophobicContact CD1-CD1 4.14Å; L64-F91 HydrophobicContact CD1-CE1 3.54Å; L64-F91 HydrophobicContact CD2-CE1 3.94Å; L64-F91 HydrophobicContact CG-CD1 4.24Å; L64-F91 HydrophobicContact CG-CE1 3.62Å; L68-F91 HydrophobicContact CD1-CB 4.17Å; L68-F91 HydrophobicContact CD1-CD1 4.01Å; L68-F91 HydrophobicContact CD1-CG 4.35Å; F85-F91 HydrophobicContact CD1-CD2 4.5Å; F85-F91 HydrophobicContact CD1-CE2 4.43Å; F85-F91 AromaticContact CE1-CD2 3.9Å; F85-F91 HydrophobicContact CE1-CD2 3.9Å; F85-F91 AromaticContact CE1-CE2 3.49Å; F85-F91 HydrophobicContact CE1-CE2 3.49Å; F85-F91 VanDerWaalsContact CE1-CE2 3.49Å; F85-F91 HydrophobicContact CE1-CZ 4.24Å; F85-F91 HydrophobicContact CZ-CD2 4.38Å; F85-F91 AromaticContact CZ-CE2 3.56Å; F85-F91 HydrophobicContact CZ-CE2 3.56Å; F85-F91 HydrophobicContact CZ-CZ 4.19Å; L86-F91 HydrophobicContact CB-CB 4.15Å; L86-F91 HydrophobicContact CD2-CB 3.57Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CG-CB 4.46Å; L86-F91 PolarHBondContact O-N 2.81Å; F89-F91 HydrophobicContact CB-CD2 3.66Å; F89-F91 HydrophobicContact CB-CE2 3.41Å; F89-F91 VanDerWaalsContact CB-CE2 3.41Å; F89-F91 HydrophobicContact CB-CZ 4.5Å; F89-F91 HydrophobicContact CG-CE2 4.29Å; F89-F91 PolarHBondContact O-N 2.87Å; F91-Y93 VanDerWaalsContact O-CD1 3.26Å; F91-Y93 WeakPolarHBondContact O-CD1 3.39Å; F91-L137 HydrophobicContact CZ-CB 4.25Å
92	S	82.4	Confident	89.6	Confident	40 Å²	40	33 Å²	33	28%	0.28	18%	0.179	S	C	.	.			trans	-76.6	132.2	165	-168.9	0	0	0	0	109.3	N62 G90	N62-S92 PolarHBondContact ND2-O 3.45Å; G90-S92 PolarHBondContact O-N 3.37Å
93	Y	89	Confident	89.3	Confident	49 Å²	49	36.7 Å²	36.7	19%	0.192	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.4	179.4	63.5	-84.9	0	0	0	112.4	L68 V70 L86 E87 F91 L95	L68-Y93 CarbonylContact O-C 3.47Å; L68-Y93 WeakPolarHBondContact O-CA 3.32Å; L68-Y93 WeakPolarHBondContact O-CB 3.07Å; V70-Y93 HydrophobicContact CB-CD2 4.36Å; V70-Y93 HydrophobicContact CG2-CD2 3.8Å; V70-Y93 HydrophobicContact CG2-CG 4.12Å; L86-Y93 HydrophobicContact CB-CD1 3.64Å; L86-Y93 HydrophobicContact CB-CE1 3.53Å; L86-Y93 HydrophobicContact CD1-CD1 3.78Å; L86-Y93 HydrophobicContact CD1-CD2 4.11Å; L86-Y93 HydrophobicContact CD1-CE1 4.13Å; L86-Y93 HydrophobicContact CD1-CE2 4.38Å; L86-Y93 HydrophobicContact CD1-CG 3.8Å; L86-Y93 HydrophobicContact CG-CD1 4.24Å; L86-Y93 HydrophobicContact CG-CE1 4.47Å; E87-Y93 HydrophobicContact CG-CE1 4.38Å; E87-Y93 PolarHBondContact OE1-OH 3.4Å; F91-Y93 VanDerWaalsContact O-CD1 3.26Å; F91-Y93 WeakPolarHBondContact O-CD1 3.39Å; Y93-L95 HydrophobicContact CD2-CD2 3.93Å; Y93-L95 HydrophobicContact CD2-CG 3.78Å; Y93-L95 HydrophobicContact CE2-CD1 3.79Å; Y93-L95 HydrophobicContact CE2-CD2 3.57Å; Y93-L95 HydrophobicContact CE2-CG 3.43Å; Y93-L95 VanDerWaalsContact CE2-CG 3.43Å
94	E	90.5	Very high	89.1	Confident	77 Å²	77	44 Å²	44	36%	0.36	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.3	169.6	175	-173.2	174.8	0	0	109.3	H67 L68 R69 V70	H67-E94 IonicContact CD2-OE2 2.77Å; H67-E94 IonicContact CE1-OE2 2.83Å; H67-E94 WeakPolarHBondContact NE2-CB 3.43Å; H67-E94 IonicContact NE2-OE2 3.78Å; H67-E94 PolarHBondContact NE2-OE2 2.92Å; L68-E94 PolarHBondContact O-N 3.44Å; R69-E94 CarbonylContact C-O 3.57Å; R69-E94 WeakPolarHBondContact CA-O 3.39Å; R69-E94 WeakPolarHBondContact CD-OE2 3.33Å; R69-E94 HydrophobicContact CG-CB 4.1Å; R69-E94 HydrophobicContact CG-CG 4.32Å; R69-E94 WeakPolarHBondContact CG-OE2 3.43Å; R69-E94 IonicContact CZ-OE2 2.77Å; R69-E94 IonicContact NE-OE1 2.54Å; R69-E94 IonicContact NE-OE2 3.52Å; R69-E94 PolarHBondContact NE-OE2 3.04Å; V70-E94 PolarHBondContact N-O 2.8Å
95	L	90.9	Very high	89	Confident	82 Å²	82	46.9 Å²	46.9	43%	0.429	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.7	176.4	-78.8	171.1	0	0	0	111.4	V70 Q72 R83 Y93	V70-L95 HydrophobicContact CB-CD2 4.12Å; V70-L95 HydrophobicContact CG1-CD2 4.21Å; Q72-L95 HydrophobicContact CG-CD2 3.97Å; R83-L95 HydrophobicContact CG-CD2 4.43Å; Y93-L95 HydrophobicContact CD2-CD2 3.93Å; Y93-L95 HydrophobicContact CD2-CG 3.78Å; Y93-L95 HydrophobicContact CE2-CD1 3.79Å; Y93-L95 HydrophobicContact CE2-CD2 3.57Å; Y93-L95 HydrophobicContact CE2-CG 3.43Å; Y93-L95 VanDerWaalsContact CE2-CG 3.43Å
96	V	91.7	Very high	88.9	Confident	29 Å²	29	46.9 Å²	46.9	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.5	170.6	-176.6	0	0	0	0	108.8	V70 Y71 Q72 V98 Q105	V70-V96 PolarHBondContact O-N 2.97Å; Y71-V96 WeakPolarHBondContact CA-O 3.44Å; Y71-V96 HydrophobicContact CD1-CB 3.7Å; Y71-V96 HydrophobicContact CD1-CG1 3.62Å; Y71-V96 HydrophobicContact CD1-CG2 4.3Å; Y71-V96 HydrophobicContact CE1-CB 3.99Å; Y71-V96 HydrophobicContact CE1-CG1 3.81Å; Y71-V96 HydrophobicContact CE1-CG2 4.12Å; Y71-V96 HydrophobicContact CG-CB 4.31Å; Q72-V96 PolarHBondContact N-O 3.37Å; V96-V98 PolarHBondContact O-N 3.2Å; V96-Q105 HydrophobicContact CG1-CB 3.99Å; V96-Q105 HydrophobicContact CG1-CG 3.9Å
97	E	91.4	Very high	88.7	Confident	23 Å²	23	49.1 Å²	49.1	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.2	174.3	-168.7	72	-174.7	0	0	109.7	Y73 H74 W234 V237 F238	Y73-E97 WeakPolarHBondContact CA-OE1 3.45Å; H74-E97 PolarHBondContact N-OE1 3.41Å; H74-E97 PolarHBondContact N-OE2 3.43Å; H74-E97 VanDerWaalsContact N-OE2 3.17Å; E97-W234 PolarHBondContact OE1-NE1 3.03Å; E97-V237 HydrophobicContact CB-CG1 4.14Å; E97-F238 HydrophobicContact CG-CE2 4.37Å; E97-F238 HydrophobicContact CG-CZ 3.83Å
98	V	91.6	Very high	88.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-84	133	-178.7	179.9	0	0	0	0	109.3	Q72 Y73 V96 P100 K103 Q105 I106 V114	Q72-V98 PolarHBondContact O-N 3.02Å; Y73-V98 HydrophobicContact CD1-CB 4.05Å; Y73-V98 VanDerWaalsContact CD1-O 3.31Å; Y73-V98 WeakPolarHBondContact CD1-O 3.45Å; Y73-V98 HydrophobicContact CE1-CB 3.63Å; Y73-V98 HydrophobicContact CE1-CG1 3.83Å; Y73-V98 WeakPolarHBondContact CE1-O 3.44Å; V96-V98 PolarHBondContact O-N 3.2Å; V98-P100 WeakPolarHBondContact O-CD 3.35Å; V98-K103 HydrophobicContact CG1-CB 4.3Å; V98-K103 HydrophobicContact CG1-CG 4.45Å; V98-Q105 HydrophobicContact CG2-CB 4.2Å; V98-I106 HydrophobicContact CG1-CD1 4.24Å; V98-I106 HydrophobicContact CG1-CG1 4.05Å; V98-I106 HydrophobicContact CG1-CG2 4.44Å; V98-I106 HydrophobicContact CG2-CG2 3.7Å; V98-V114 HydrophobicContact CB-CG1 4.45Å; V98-V114 HydrophobicContact CG2-CG1 3.95Å
99	N	88.3	Confident	88.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.011	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-72	118.9	173.5	-178.1	-40.3	0	0	0	109.5	L101 N102 K103 F238 E242	N99-L101 VanDerWaalsContact C-N 3.25Å; N99-L101 PolarHBondContact O-N 3.24Å; N99-L101 VanDerWaalsContact OD1-CB 3.29Å; N99-L101 WeakPolarHBondContact OD1-CB 3.46Å; N99-L101 PolarHBondContact OD1-N 2.92Å; N99-N102 PolarHBondContact ND2-ND2 2.86Å; N99-K103 WeakPolarHBondContact O-CA 3.39Å; N99-K103 PolarHBondContact O-N 3.05Å; N99-F238 HydrophobicContact CB-CD1 4.39Å; N99-F238 HydrophobicContact CB-CE1 3.79Å; N99-F238 HydrophobicContact CB-CZ 4.36Å; N99-E242 PolarHBondContact ND2-OE1 3.45Å
100	P	85.7	Confident	88.8	Confident	50 Å²	50	53.3 Å²	53.3	33%	0.325	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.2	-174.9	28.2	-35.4	0	0	0	113.9	Y73 V98 I246	Y73-P100 HydrophobicContact CE1-CB 4.01Å; V98-P100 WeakPolarHBondContact O-CD 3.35Å; P100-I246 HydrophobicContact CG-CD1 3.95Å; P100-I246 HydrophobicContact CG-CG1 3.89Å; P100-I246 HydrophobicContact CG-CG2 3.94Å
101	L	83.8	Confident	89	Confident	87 Å²	87	52.3 Å²	52.3	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-49.3	179.9	-59	175	0	0	0	111.8	N99 M245 I246	N99-L101 VanDerWaalsContact C-N 3.25Å; N99-L101 PolarHBondContact O-N 3.24Å; N99-L101 VanDerWaalsContact OD1-CB 3.29Å; N99-L101 WeakPolarHBondContact OD1-CB 3.46Å; N99-L101 PolarHBondContact OD1-N 2.92Å; L101-M245 HydrophobicContact CD1-CB 4.05Å; L101-I246 HydrophobicContact CD1-CG1 3.92Å; L101-I246 HydrophobicContact CD2-CG1 4.48Å; L101-I246 HydrophobicContact CG-CG1 3.91Å
102	N	85.7	Confident	89.2	Confident	82 Å²	82	56.2 Å²	56.2	44%	0.439	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-15.5	-173.1	63.7	41.5	0	0	0	114.1	N99 K104	N99-N102 PolarHBondContact ND2-ND2 2.86Å; N102-K104 PolarHBondContact O-N 2.97Å; N102-K104 VanDerWaalsContact OD1-CB 3.29Å; N102-K104 WeakPolarHBondContact OD1-CB 3.47Å; N102-K104 PolarHBondContact OD1-N 3.19Å
103	K	90.1	Very high	89.6	Confident	77 Å²	77	58.2 Å²	58.2	34%	0.335	29%	0.294	S	S	.	.			trans	49.9	28.4	-179	-59.4	-178.4	176.6	-171.9	0	114	Y73 V98 N99 Q105 I106 K112	Y73-K103 WeakPolarHBondContact OH-CE 3.28Å; V98-K103 HydrophobicContact CG1-CB 4.3Å; V98-K103 HydrophobicContact CG1-CG 4.45Å; N99-K103 WeakPolarHBondContact O-CA 3.39Å; N99-K103 PolarHBondContact O-N 3.05Å; K103-Q105 PolarHBondContact O-N 2.6Å; K103-I106 HydrophobicContact CB-CD1 4.26Å; K103-I106 HydrophobicContact CB-CG1 3.95Å; K103-I106 HydrophobicContact CD-CD1 4.4Å; K103-I106 VanDerWaalsContact O-CG1 3.31Å; K103-I106 WeakPolarHBondContact O-CG1 3.16Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.08Å; K103-K112 PolarHBondContact NZ-O 3.39Å
104	K	89.8	Confident	89.8	Confident	167 Å²	167	56.5 Å²	56.5	73%	0.726	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-56.8	-38.2	-172	-177	-179.7	177.3	-176.2	0	112.3	N102 I106 G107	N102-K104 PolarHBondContact O-N 2.97Å; N102-K104 VanDerWaalsContact OD1-CB 3.29Å; N102-K104 WeakPolarHBondContact OD1-CB 3.47Å; N102-K104 PolarHBondContact OD1-N 3.19Å; K104-I106 PolarHBondContact O-N 3.3Å; K104-G107 PolarHBondContact O-N 2.93Å
105	Q	92	Very high	90.1	Very high	62 Å²	62	52.9 Å²	52.9	29%	0.29	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.1	-178.2	-66.7	77.4	6.7	0	0	112.9	Y71 V96 V98 K103 F108	Y71-Q105 HydrophobicContact CD1-CB 4.29Å; Y71-Q105 WeakPolarHBondContact CE1-O 3.47Å; V96-Q105 HydrophobicContact CG1-CB 3.99Å; V96-Q105 HydrophobicContact CG1-CG 3.9Å; V98-Q105 HydrophobicContact CG2-CB 4.2Å; K103-Q105 PolarHBondContact O-N 2.6Å; Q105-F108 WeakPolarHBondContact O-CD1 3.45Å; Q105-F108 WeakPolarHBondContact O-CE1 3.37Å
106	I	93.2	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-107.3	25.1	175.8	61.7	171.1	0	0	0	111.8	Y71 V98 K103 K104 F108 S109 K112 V114 I116	Y71-I106 HydrophobicContact CD1-CG2 3.96Å; Y71-I106 HydrophobicContact CG-CG2 3.97Å; V98-I106 HydrophobicContact CG1-CD1 4.24Å; V98-I106 HydrophobicContact CG1-CG1 4.05Å; V98-I106 HydrophobicContact CG1-CG2 4.44Å; V98-I106 HydrophobicContact CG2-CG2 3.7Å; K103-I106 HydrophobicContact CB-CD1 4.26Å; K103-I106 HydrophobicContact CB-CG1 3.95Å; K103-I106 HydrophobicContact CD-CD1 4.4Å; K103-I106 VanDerWaalsContact O-CG1 3.31Å; K103-I106 WeakPolarHBondContact O-CG1 3.16Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.08Å; K104-I106 PolarHBondContact O-N 3.3Å; I106-F108 PolarHBondContact O-N 3.4Å; I106-S109 PolarHBondContact O-N 2.85Å; I106-K112 PolarHBondContact O-NZ 3.43Å; I106-V114 HydrophobicContact CD1-CG1 4.3Å; I106-I116 HydrophobicContact CB-CD1 4.11Å; I106-I116 HydrophobicContact CG2-CD1 3.87Å
107	G	89.1	Confident	90.6	Very high	47 Å²	47	47.6 Å²	47.6	49%	0.485	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.3	177.8	0	0	0	0	0	112.8	K104 S109 K112	K104-G107 PolarHBondContact O-N 2.93Å; G107-S109 VanDerWaalsContact C-N 3.32Å; G107-S109 PolarHBondContact O-N 3.05Å; G107-K112 PolarHBondContact O-NZ 3.42Å
108	F	92.4	Very high	90.7	Very high	107 Å²	107	46.9 Å²	46.9	47%	0.469	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.5	179.8	67.3	-92.7	0	0	0	113.9	Y71 Q105 I106 T118	Y71-F108 HydrophobicContact CD1-CE1 4.37Å; Y71-F108 HydrophobicContact CD2-CZ 4.11Å; Y71-F108 AromaticContact CE1-CE1 3.77Å; Y71-F108 HydrophobicContact CE1-CE1 3.77Å; Y71-F108 HydrophobicContact CE1-CZ 4.24Å; Y71-F108 AromaticContact CE2-CE1 3.99Å; Y71-F108 HydrophobicContact CE2-CE1 3.99Å; Y71-F108 AromaticContact CE2-CZ 3.63Å; Y71-F108 HydrophobicContact CE2-CZ 3.63Å; Y71-F108 AromaticContact CZ-CE1 3.56Å; Y71-F108 AromaticContact CZ-CZ 3.7Å; Q105-F108 WeakPolarHBondContact O-CD1 3.45Å; Q105-F108 WeakPolarHBondContact O-CE1 3.37Å; I106-F108 PolarHBondContact O-N 3.4Å; F108-T118 HydrophobicContact CE2-CG2 3.97Å; F108-T118 HydrophobicContact CZ-CG2 4.04Å
109	S	90.6	Very high	90.7	Very high	2 Å²	2	47 Å²	47	1%	0.014	24%	0.241	C	C	.	.			trans	-88.1	136.6	-172.3	170.4	0	0	0	0	112.2	I106 G107 Y111 K112 Q126	I106-S109 PolarHBondContact O-N 2.85Å; G107-S109 VanDerWaalsContact C-N 3.32Å; G107-S109 PolarHBondContact O-N 3.05Å; S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 WeakPolarHBondContact OG-CA 3.28Å; S109-Y111 WeakPolarHBondContact OG-CB 3.23Å; S109-Y111 PolarHBondContact OG-N 3.39Å; S109-Y111 PolarHBondContact OG-O 3.49Å; S109-K112 WeakPolarHBondContact O-CD 3.47Å; S109-K112 WeakPolarHBondContact O-CE 3.37Å; S109-K112 PolarHBondContact O-NZ 3.22Å; S109-Q126 PolarHBondContact OG-NE2 3.24Å
110	V	87.2	Confident	90.7	Very high	90 Å²	90	51.7 Å²	51.7	55%	0.545	27%	0.266	S	S	.	.	S	Bend	trans	-69.3	-27.2	169.5	-177.7	0	0	0	0	111.4	L159 R168	V110-L159 HydrophobicContact CB-CD1 4.26Å; V110-L159 HydrophobicContact CG1-CD1 3.89Å; V110-R168 PolarHBondContact O-NH1 2.83Å
111	Y	89.1	Confident	90.5	Very high	15 Å²	15	53.2 Å²	53.2	6%	0.059	27%	0.268	C	S	.	.			trans	-81.9	109	172	-178.8	-108.2	0	0	0	109.8	S109 K113 I116 N128 L159 V170	S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 WeakPolarHBondContact OG-CA 3.28Å; S109-Y111 WeakPolarHBondContact OG-CB 3.23Å; S109-Y111 PolarHBondContact OG-N 3.39Å; S109-Y111 PolarHBondContact OG-O 3.49Å; Y111-K113 VanDerWaalsContact C-N 3.35Å; Y111-K113 HydrophobicContact CD1-CB 4.26Å; Y111-K113 WeakPolarHBondContact CD1-O 3.3Å; Y111-K113 HydrophobicContact CE1-CB 3.65Å; Y111-K113 VanDerWaalsContact CE1-O 3.32Å; Y111-K113 WeakPolarHBondContact CE1-O 3.25Å; Y111-K113 HydrophobicContact CE2-CB 3.92Å; Y111-K113 HydrophobicContact CE2-CD 3.98Å; Y111-K113 HydrophobicContact CE2-CG 4.38Å; Y111-K113 VanDerWaalsContact CZ-CB 3.48Å; Y111-K113 PolarHBondContact O-N 3.14Å; Y111-I116 HydrophobicContact CD1-CD1 4.02Å; Y111-I116 HydrophobicContact CD1-CG1 3.87Å; Y111-I116 HydrophobicContact CE1-CG1 4.3Å; Y111-N128 HydrophobicContact CD1-CB 3.68Å; Y111-N128 WeakPolarHBondContact CD1-OD1 3.5Å; Y111-N128 HydrophobicContact CD2-CB 4.41Å; Y111-N128 HydrophobicContact CE1-CB 3.8Å; Y111-N128 HydrophobicContact CG-CB 3.98Å; Y111-L159 HydrophobicContact CD2-CD2 3.72Å; Y111-L159 HydrophobicContact CG-CD2 4.49Å; Y111-V170 HydrophobicContact CD2-CG2 3.91Å; Y111-V170 HydrophobicContact CE2-CG2 3.43Å; Y111-V170 VanDerWaalsContact CE2-CG2 3.43Å
112	K	87.9	Confident	90.3	Very high	93 Å²	93	53.9 Å²	53.9	40%	0.404	30%	0.296	S	S	.	.			trans	-95.9	26.6	-173.9	-60.7	-57.6	-171	-167	0	114.1	K103 I106 G107 S109	K103-K112 PolarHBondContact NZ-O 3.39Å; I106-K112 PolarHBondContact O-NZ 3.43Å; G107-K112 PolarHBondContact O-NZ 3.42Å; S109-K112 WeakPolarHBondContact O-CD 3.47Å; S109-K112 WeakPolarHBondContact O-CE 3.37Å; S109-K112 PolarHBondContact O-NZ 3.22Å
113	K	91.4	Very high	90.2	Very high	81 Å²	81	52 Å²	52	35%	0.352	30%	0.297	S	S	.	.	S	Bend	trans	-120.1	169.9	176.5	-66.7	174.1	178.6	170	0	109.1	Y111 I116 R168	Y111-K113 VanDerWaalsContact C-N 3.35Å; Y111-K113 HydrophobicContact CD1-CB 4.26Å; Y111-K113 WeakPolarHBondContact CD1-O 3.3Å; Y111-K113 HydrophobicContact CE1-CB 3.65Å; Y111-K113 VanDerWaalsContact CE1-O 3.32Å; Y111-K113 WeakPolarHBondContact CE1-O 3.25Å; Y111-K113 HydrophobicContact CE2-CB 3.92Å; Y111-K113 HydrophobicContact CE2-CD 3.98Å; Y111-K113 HydrophobicContact CE2-CG 4.38Å; Y111-K113 VanDerWaalsContact CZ-CB 3.48Å; Y111-K113 PolarHBondContact O-N 3.14Å; K113-I116 WeakPolarHBondContact O-CG1 3.46Å; K113-R168 WeakPolarHBondContact CE-O 3.49Å; K113-R168 PolarHBondContact NZ-O 3.39Å
114	V	93.8	Very high	90.1	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	31%	0.31	C	S	.	.	S	Bend	trans	-128.5	154.1	177.8	-68.6	0	0	0	0	109.7	Y73 V98 I106	Y73-V114 HydrophobicContact CD2-CG2 3.35Å; Y73-V114 HydrophobicContact CE2-CG2 3.52Å; Y73-V114 HydrophobicContact CG-CG2 3.88Å; V98-V114 HydrophobicContact CB-CG1 4.45Å; V98-V114 HydrophobicContact CG2-CG1 3.95Å; I106-V114 HydrophobicContact CD1-CG1 4.3Å
115	P	96.7	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	28%	0.279	C	S	.	.			cis	-77.5	154.8	3.8	31.2	-34.2	0	0	0	114.2	Y71 L82 D129 I133	Y71-P115 WeakPolarHBondContact O-CA 3.47Å; L82-P115 HydrophobicContact CB-CG 4.38Å; L82-P115 HydrophobicContact CD2-CB 3.7Å; L82-P115 HydrophobicContact CD2-CG 3.95Å; P115-D129 PolarHBondContact O-N 2.71Å; P115-I133 HydrophobicContact CG-CD1 4.28Å
116	I	96.5	Very high	90.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.6	166.5	-56.8	-179.2	0	0	0	107.2	Y71 I106 Y111 K113 T118 Q126 L127	Y71-I116 HydrophobicContact CD2-CB 4.2Å; Y71-I116 HydrophobicContact CD2-CG2 4.3Å; Y71-I116 PolarHBondContact N-O 3Å; Y71-I116 PolarHBondContact O-N 3.44Å; Y71-I116 VanDerWaalsContact O-N 3.09Å; I106-I116 HydrophobicContact CB-CD1 4.11Å; I106-I116 HydrophobicContact CG2-CD1 3.87Å; Y111-I116 HydrophobicContact CD1-CD1 4.02Å; Y111-I116 HydrophobicContact CD1-CG1 3.87Å; Y111-I116 HydrophobicContact CE1-CG1 4.3Å; K113-I116 WeakPolarHBondContact O-CG1 3.46Å; I116-T118 HydrophobicContact CG2-CG2 4.25Å; I116-Q126 HydrophobicContact CG2-CG 3.55Å; I116-L127 WeakPolarHBondContact CA-O 3.17Å
117	V	95.8	Very high	90.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.8	170.8	172.1	0	0	0	0	109.8	L68 R69 V70 L82 F119 Q126 L127 I133	L68-V117 HydrophobicContact CB-CG1 4.39Å; L68-V117 HydrophobicContact CD2-CG1 3.86Å; R69-V117 CarbonylContact O-C 3.13Å; R69-V117 VanDerWaalsContact O-CA 3.26Å; R69-V117 WeakPolarHBondContact O-CA 3.3Å; V70-V117 HydrophobicContact CB-CG2 4.38Å; V70-V117 HydrophobicContact CG1-CG2 4.35Å; V70-V117 HydrophobicContact CG2-CG2 3.91Å; L82-V117 HydrophobicContact CD2-CG2 3.61Å; V117-F119 HydrophobicContact CG1-CD1 4.37Å; V117-Q126 WeakPolarHBondContact O-CA 3.13Å; V117-L127 PolarHBondContact N-O 2.9Å; V117-L127 PolarHBondContact O-N 3.49Å; V117-I133 HydrophobicContact CB-CD1 4.25Å; V117-I133 HydrophobicContact CB-CG1 4.49Å; V117-I133 HydrophobicContact CB-CG2 4.22Å; V117-I133 HydrophobicContact CG2-CD1 3.99Å; V117-I133 HydrophobicContact CG2-CG2 3.89Å
118	T	94.7	Very high	90.4	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.6	172	63.3	0	0	0	0	111.2	R69 Y71 F108 I116 T124 I125 Q126	R69-T118 PolarHBondContact N-O 2.85Å; R69-T118 PolarHBondContact O-N 3Å; Y71-T118 HydrophobicContact CE2-CG2 3.96Å; F108-T118 HydrophobicContact CE2-CG2 3.97Å; F108-T118 HydrophobicContact CZ-CG2 4.04Å; I116-T118 HydrophobicContact CG2-CG2 4.25Å; T118-T124 HydrophobicContact CG2-CG2 4.47Å; T118-I125 WeakPolarHBondContact CA-O 3.49Å; T118-Q126 HydrophobicContact CG2-CB 4.22Å; T118-Q126 HydrophobicContact CG2-CG 4.09Å
119	F	92	Very high	90.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.3	171.7	59.7	-84.1	0	0	0	110.2	V66 H67 L68 V117 H121 I125 L127 F136 F148	V66-F119 HydrophobicContact CB-CB 4.27Å; V66-F119 HydrophobicContact CB-CD2 4.05Å; V66-F119 HydrophobicContact CB-CG 4.48Å; V66-F119 HydrophobicContact CG1-CD2 4Å; V66-F119 HydrophobicContact CG2-CB 4.26Å; V66-F119 HydrophobicContact CG2-CD2 3.94Å; V66-F119 HydrophobicContact CG2-CG 4.19Å; H67-F119 VanDerWaalsContact O-CB 3.26Å; H67-F119 WeakPolarHBondContact O-CB 3.49Å; L68-F119 HydrophobicContact CD2-CB 4.05Å; L68-F119 HydrophobicContact CD2-CD1 3.78Å; L68-F119 HydrophobicContact CD2-CG 4.06Å; V117-F119 HydrophobicContact CG1-CD1 4.37Å; F119-H121 HydrophobicContact CD2-CB 4.31Å; F119-H121 HydrophobicContact CE2-CB 4.25Å; F119-I125 HydrophobicContact CD1-CB 4.47Å; F119-I125 HydrophobicContact CD1-CG2 4.47Å; F119-I125 HydrophobicContact CD2-CB 4.48Å; F119-I125 HydrophobicContact CE1-CB 4.05Å; F119-I125 HydrophobicContact CE1-CG2 3.68Å; F119-I125 HydrophobicContact CE2-CB 4.08Å; F119-I125 HydrophobicContact CE2-CD1 3.73Å; F119-I125 HydrophobicContact CE2-CG1 4.42Å; F119-I125 HydrophobicContact CE2-CG2 4.35Å; F119-I125 HydrophobicContact CZ-CB 3.84Å; F119-I125 HydrophobicContact CZ-CD1 3.89Å; F119-I125 HydrophobicContact CZ-CG1 4.47Å; F119-I125 HydrophobicContact CZ-CG2 3.61Å; F119-I125 PolarHBondContact N-O 2.83Å; F119-I125 VanDerWaalsContact N-O 3.17Å; F119-I125 PolarHBondContact O-N 2.75Å; F119-L127 HydrophobicContact CE1-CD1 3.96Å; F119-L127 HydrophobicContact CE1-CG 4.36Å; F119-F136 HydrophobicContact CZ-CE1 4.11Å; F119-F136 HydrophobicContact CZ-CZ 4.49Å; F119-F148 HydrophobicContact CE2-CD1 4Å; F119-F148 HydrophobicContact CE2-CD2 4.32Å; F119-F148 AromaticContact CE2-CE1 4Å; F119-F148 HydrophobicContact CE2-CE1 4Å; F119-F148 HydrophobicContact CE2-CE2 4.32Å; F119-F148 HydrophobicContact CE2-CG 4.16Å; F119-F148 HydrophobicContact CE2-CZ 4.15Å; F119-F148 AromaticContact CZ-CD1 3.99Å; F119-F148 HydrophobicContact CZ-CD1 3.99Å; F119-F148 HydrophobicContact CZ-CE1 4.11Å; F119-F148 HydrophobicContact CZ-CG 4.47Å
120	D	87.7	Confident	90.6	Very high	101 Å²	101	40.4 Å²	40.4	54%	0.54	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.9	-177.8	-63.8	-40.2	0	0	0	110.7	G123 T124	D120-G123 WeakPolarHBondContact CA-O 3.41Å; D120-T124 PolarHBondContact OD1-OG1 3.1Å
121	H	81.7	Confident	91.1	Very high	81 Å²	81	36.2 Å²	36.2	38%	0.375	22%	0.219	S	C	.	.	S	Bend	trans	-150.2	96	172.7	-170.1	84.7	0	0	0	109.1	F119 G123 I125 F148 E149	F119-H121 HydrophobicContact CD2-CB 4.31Å; F119-H121 HydrophobicContact CE2-CB 4.25Å; H121-G123 CarbonylContact C-O 3.55Å; H121-G123 PolarHBondContact N-O 3.15Å; H121-G123 PolarHBondContact O-N 2.95Å; H121-I125 HydrophobicContact CB-CD1 4.28Å; H121-F148 HydrophobicContact CB-CD2 4.18Å; H121-F148 AromaticContact CD2-CD2 3.61Å; H121-F148 AromaticContact CE1-CD2 3.82Å; H121-F148 AromaticContact CG-CD2 3.57Å; H121-F148 AromaticContact CG-CE2 4Å; H121-F148 AromaticContact ND1-CD2 3.72Å; H121-F148 AromaticContact ND1-CE2 3.77Å; H121-F148 AromaticContact NE2-CD2 3.77Å; H121-E149 IonicContact CD2-OE1 2.92Å
122	G	79.3	Confident	91.4	Very high	101 Å²	101	35.6 Å²	35.6	100%	1.041	22%	0.216	S	C	*	.	S	Bend	trans	64.4	4.3	-172.7	0	0	0	0	0	115
123	G	83.1	Confident	91.7	Very high	44 Å²	44	31.1 Å²	31.1	45%	0.454	20%	0.197	S	C	.	.	S	Bend	trans	157	166.2	-173	0	0	0	0	0	109.3	D120 H121 I125	D120-G123 WeakPolarHBondContact CA-O 3.41Å; H121-G123 CarbonylContact C-O 3.55Å; H121-G123 PolarHBondContact N-O 3.15Å; H121-G123 PolarHBondContact O-N 2.95Å; G123-I125 PolarHBondContact O-N 3.16Å
124	T	88.4	Confident	91.9	Very high	100 Å²	100	27.5 Å²	27.5	61%	0.613	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	111.2	177.1	-57	0	0	0	0	109.7	T118 D120	T118-T124 HydrophobicContact CG2-CG2 4.47Å; D120-T124 PolarHBondContact OD1-OG1 3.1Å
125	I	90.6	Very high	92	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.7	172.8	-68.1	173	0	0	0	108.5	T118 F119 H121 G123 L127 F148 Q152	T118-I125 WeakPolarHBondContact CA-O 3.49Å; F119-I125 HydrophobicContact CD1-CB 4.47Å; F119-I125 HydrophobicContact CD1-CG2 4.47Å; F119-I125 HydrophobicContact CD2-CB 4.48Å; F119-I125 HydrophobicContact CE1-CB 4.05Å; F119-I125 HydrophobicContact CE1-CG2 3.68Å; F119-I125 HydrophobicContact CE2-CB 4.08Å; F119-I125 HydrophobicContact CE2-CD1 3.73Å; F119-I125 HydrophobicContact CE2-CG1 4.42Å; F119-I125 HydrophobicContact CE2-CG2 4.35Å; F119-I125 HydrophobicContact CZ-CB 3.84Å; F119-I125 HydrophobicContact CZ-CD1 3.89Å; F119-I125 HydrophobicContact CZ-CG1 4.47Å; F119-I125 HydrophobicContact CZ-CG2 3.61Å; F119-I125 PolarHBondContact N-O 2.83Å; F119-I125 VanDerWaalsContact N-O 3.17Å; F119-I125 PolarHBondContact O-N 2.75Å; H121-I125 HydrophobicContact CB-CD1 4.28Å; G123-I125 PolarHBondContact O-N 3.16Å; I125-L127 HydrophobicContact CG2-CD2 4.34Å; I125-L127 HydrophobicContact CG2-CG 4.3Å; I125-F148 HydrophobicContact CD1-CB 4.13Å; I125-Q152 VanDerWaalsContact CG2-NE2 3.32Å
126	Q	92.2	Very high	91.9	Very high	58 Å²	58	26.8 Å²	26.8	27%	0.271	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	173.8	-175.2	-175	-41.2	0	0	110.5	S109 I116 V117 T118 N128	S109-Q126 PolarHBondContact OG-NE2 3.24Å; I116-Q126 HydrophobicContact CG2-CG 3.55Å; V117-Q126 WeakPolarHBondContact O-CA 3.13Å; T118-Q126 HydrophobicContact CG2-CB 4.22Å; T118-Q126 HydrophobicContact CG2-CG 4.09Å; Q126-N128 PolarHBondContact NE2-ND2 2.87Å; Q126-N128 PolarHBondContact NE2-OD1 3.44Å
127	L	93.1	Very high	91.7	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.4	172	-58.7	175.1	0	0	0	109.7	I116 V117 F119 I125 L132 I133 F136	I116-L127 WeakPolarHBondContact CA-O 3.17Å; V117-L127 PolarHBondContact N-O 2.9Å; V117-L127 PolarHBondContact O-N 3.49Å; F119-L127 HydrophobicContact CE1-CD1 3.96Å; F119-L127 HydrophobicContact CE1-CG 4.36Å; I125-L127 HydrophobicContact CG2-CD2 4.34Å; I125-L127 HydrophobicContact CG2-CG 4.3Å; L127-L132 HydrophobicContact CD2-CD2 4.26Å; L127-I133 HydrophobicContact CB-CD1 4.49Å; L127-I133 HydrophobicContact CB-CG1 3.61Å; L127-F136 HydrophobicContact CD1-CB 4.19Å; L127-F136 HydrophobicContact CD1-CD1 3.39Å; L127-F136 HydrophobicContact CD1-CD2 4.37Å; L127-F136 HydrophobicContact CD1-CE1 3.79Å; L127-F136 HydrophobicContact CD1-CG 3.73Å; L127-F136 HydrophobicContact CD1-CZ 4.43Å; L127-F136 HydrophobicContact CD2-CD2 4.1Å; L127-F136 HydrophobicContact CD2-CE2 4.25Å; L127-F136 HydrophobicContact CD2-CG 4.25Å
128	N	93.6	Very high	91.5	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.4	-176.3	-61.5	-50.6	0	0	0	109.4	Y111 Q126 V170	Y111-N128 HydrophobicContact CD1-CB 3.68Å; Y111-N128 WeakPolarHBondContact CD1-OD1 3.5Å; Y111-N128 HydrophobicContact CD2-CB 4.41Å; Y111-N128 HydrophobicContact CE1-CB 3.8Å; Y111-N128 HydrophobicContact CG-CB 3.98Å; Q126-N128 PolarHBondContact NE2-ND2 2.87Å; Q126-N128 PolarHBondContact NE2-OD1 3.44Å; N128-V170 HydrophobicContact CB-CG2 4.15Å
129	D	93.6	Very high	91.3	Very high	18 Å²	18	27.1 Å²	27.1	10%	0.096	18%	0.178	C	C	.	.	S	Bend	trans	74.2	127.9	-175.5	-177.4	-70.3	0	0	0	113.8	P115 S131 L132 I133 V170 K175	P115-D129 PolarHBondContact O-N 2.71Å; D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.71Å; D129-S131 PolarHBondContact OD1-N 3.2Å; D129-L132 HydrophobicContact CB-CB 4.22Å; D129-L132 PolarHBondContact O-N 2.92Å; D129-L132 PolarHBondContact OD1-N 3Å; D129-I133 WeakPolarHBondContact O-CB 3.49Å; D129-I133 VanDerWaalsContact O-CD1 3.23Å; D129-I133 WeakPolarHBondContact O-CD1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.46Å; D129-I133 PolarHBondContact O-N 3.18Å; D129-V170 HydrophobicContact CB-CB 4.36Å; D129-V170 HydrophobicContact CB-CG1 4.36Å; D129-V170 HydrophobicContact CB-CG2 4.32Å; D129-K175 WeakPolarHBondContact OD1-CE 3.43Å; D129-K175 IonicContact OD1-NZ 3.94Å; D129-K175 PolarHBondContact OD1-NZ 2.62Å; D129-K175 WeakPolarHBondContact OD2-CE 3.35Å; D129-K175 IonicContact OD2-NZ 3.72Å; D129-K175 PolarHBondContact OD2-NZ 2.9Å
130	S	95.3	Very high	91.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-42.6	-174.6	59.2	0	0	0	0	113.5	F78 K81 I133 I134	F78-S130 WeakPolarHBondContact O-CB 3.49Å; K81-S130 WeakPolarHBondContact CE-OG 3.33Å; K81-S130 PolarHBondContact NZ-OG 3.32Å; S130-I133 PolarHBondContact O-N 2.85Å; S130-I134 WeakPolarHBondContact O-CB 3.44Å; S130-I134 WeakPolarHBondContact O-CD1 3.4Å; S130-I134 WeakPolarHBondContact O-CG1 3.24Å; S130-I134 PolarHBondContact O-N 3.33Å
131	S	96	Very high	91	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-79.8	-32.6	-171.4	-52.2	0	0	0	0	110.3	K81 D129 S135 K175 R199 D203	K81-S131 PolarHBondContact NZ-OG 2.86Å; D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.71Å; D129-S131 PolarHBondContact OD1-N 3.2Å; S131-S135 WeakPolarHBondContact O-CB 3.39Å; S131-S135 PolarHBondContact O-N 2.53Å; S131-S135 PolarHBondContact O-OG 3.09Å; S131-K175 CarbonylContact C-O 3.29Å; S131-K175 VanDerWaalsContact O-O 3.08Å; S131-R199 PolarHBondContact O-NH2 3.45Å; S131-D203 PolarHBondContact OG-OD2 2.86Å
132	L	95.2	Very high	91.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-50.2	168.5	-175.8	160.7	0	0	0	110.7	L127 D129 I134 S135 F136 Y155 V170 C172 K175	L127-L132 HydrophobicContact CD2-CD2 4.26Å; D129-L132 HydrophobicContact CB-CB 4.22Å; D129-L132 PolarHBondContact O-N 2.92Å; D129-L132 PolarHBondContact OD1-N 3Å; L132-I134 VanDerWaalsContact C-N 3.32Å; L132-I134 PolarHBondContact O-N 3.05Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-F136 WeakPolarHBondContact O-CB 3.39Å; L132-F136 PolarHBondContact O-N 2.71Å; L132-Y155 HydrophobicContact CG-CD1 4.35Å; L132-V170 HydrophobicContact CD1-CG1 3.9Å; L132-C172 HydrophobicContact CD1-CB 3.72Å; L132-K175 HydrophobicContact CB-CG 4.33Å
133	I	95.4	Very high	91.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-47.6	178.5	-66.4	158.1	0	0	0	110.5	L82 P115 V117 L127 D129 S130 F136 L137	L82-I133 HydrophobicContact CD1-CB 4.17Å; L82-I133 HydrophobicContact CD1-CG2 3.45Å; L82-I133 VanDerWaalsContact CD1-CG2 3.45Å; L82-I133 HydrophobicContact CD2-CD1 4.08Å; L82-I133 HydrophobicContact CD2-CG2 4.16Å; L82-I133 HydrophobicContact CG-CG2 4.47Å; P115-I133 HydrophobicContact CG-CD1 4.28Å; V117-I133 HydrophobicContact CB-CD1 4.25Å; V117-I133 HydrophobicContact CB-CG1 4.49Å; V117-I133 HydrophobicContact CB-CG2 4.22Å; V117-I133 HydrophobicContact CG2-CD1 3.99Å; V117-I133 HydrophobicContact CG2-CG2 3.89Å; L127-I133 HydrophobicContact CB-CD1 4.49Å; L127-I133 HydrophobicContact CB-CG1 3.61Å; D129-I133 WeakPolarHBondContact O-CB 3.49Å; D129-I133 VanDerWaalsContact O-CD1 3.23Å; D129-I133 WeakPolarHBondContact O-CD1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.46Å; D129-I133 PolarHBondContact O-N 3.18Å; S130-I133 PolarHBondContact O-N 2.85Å; I133-F136 PolarHBondContact O-N 2.91Å; I133-L137 HydrophobicContact CG2-CD1 3.75Å; I133-L137 HydrophobicContact CG2-CG 4.27Å; I133-L137 WeakPolarHBondContact O-CB 3.25Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 2.56Å
134	I	96	Very high	91.2	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-49.2	177.3	-72.1	165.7	0	0	0	111	K81 L82 F85 S130 L132 F136 L137 Q138 L300	K81-I134 HydrophobicContact CB-CD1 4.4Å; L82-I134 HydrophobicContact CD1-CG1 4.1Å; F85-I134 HydrophobicContact CB-CD1 4.06Å; F85-I134 HydrophobicContact CB-CG1 3.82Å; F85-I134 HydrophobicContact CD1-CG1 4Å; F85-I134 HydrophobicContact CD2-CB 4.39Å; F85-I134 HydrophobicContact CD2-CG1 4.19Å; F85-I134 HydrophobicContact CD2-CG2 3.67Å; F85-I134 HydrophobicContact CE2-CG2 3.92Å; F85-I134 HydrophobicContact CG-CB 4.36Å; F85-I134 HydrophobicContact CG-CD1 4.46Å; F85-I134 HydrophobicContact CG-CG1 3.73Å; F85-I134 HydrophobicContact CG-CG2 4.11Å; S130-I134 WeakPolarHBondContact O-CB 3.44Å; S130-I134 WeakPolarHBondContact O-CD1 3.4Å; S130-I134 WeakPolarHBondContact O-CG1 3.24Å; S130-I134 PolarHBondContact O-N 3.33Å; L132-I134 VanDerWaalsContact C-N 3.32Å; L132-I134 PolarHBondContact O-N 3.05Å; I134-F136 VanDerWaalsContact C-N 3.34Å; I134-F136 PolarHBondContact O-N 3.21Å; I134-L137 PolarHBondContact O-N 2.86Å; I134-Q138 VanDerWaalsContact O-CB 3.25Å; I134-Q138 WeakPolarHBondContact O-CB 3.5Å; I134-Q138 PolarHBondContact O-N 2.86Å; I134-L300 HydrophobicContact CG2-CD1 4.01Å; I134-L300 HydrophobicContact CG2-CD2 3.96Å; I134-L300 HydrophobicContact CG2-CG 4.48Å
135	S	95.3	Very high	90.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-41.3	179.6	-64.2	0	0	0	0	112.3	S131 L132 S139 Y155 K175 R199	S131-S135 WeakPolarHBondContact O-CB 3.39Å; S131-S135 PolarHBondContact O-N 2.53Å; S131-S135 PolarHBondContact O-OG 3.09Å; L132-S135 PolarHBondContact O-N 3.42Å; S135-S139 VanDerWaalsContact O-CB 3.22Å; S135-S139 WeakPolarHBondContact O-CB 3.3Å; S135-S139 PolarHBondContact O-N 2.89Å; S135-S139 PolarHBondContact O-OG 2.9Å; S135-Y155 VanDerWaalsContact CB-CE1 3.42Å; S135-Y155 PolarHBondContact O-OH 2.94Å; S135-K175 WeakPolarHBondContact CB-O 3.41Å; S135-K175 PolarHBondContact OG-O 3.48Å; S135-R199 PolarHBondContact OG-NH1 2.71Å; S135-R199 PolarHBondContact OG-NH2 3.44Å
136	F	94	Very high	90.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-52.8	177.6	-178.6	-82	0	0	0	111.3	F119 L127 L132 I133 I134 S139 H140 F148 L151 Q152 Y155	F119-F136 HydrophobicContact CZ-CE1 4.11Å; F119-F136 HydrophobicContact CZ-CZ 4.49Å; L127-F136 HydrophobicContact CD1-CB 4.19Å; L127-F136 HydrophobicContact CD1-CD1 3.39Å; L127-F136 HydrophobicContact CD1-CD2 4.37Å; L127-F136 HydrophobicContact CD1-CE1 3.79Å; L127-F136 HydrophobicContact CD1-CG 3.73Å; L127-F136 HydrophobicContact CD1-CZ 4.43Å; L127-F136 HydrophobicContact CD2-CD2 4.1Å; L127-F136 HydrophobicContact CD2-CE2 4.25Å; L127-F136 HydrophobicContact CD2-CG 4.25Å; L132-F136 WeakPolarHBondContact O-CB 3.39Å; L132-F136 PolarHBondContact O-N 2.71Å; I133-F136 PolarHBondContact O-N 2.91Å; I134-F136 VanDerWaalsContact C-N 3.34Å; I134-F136 PolarHBondContact O-N 3.21Å; F136-S139 PolarHBondContact O-N 2.7Å; F136-H140 PolarHBondContact O-N 2.93Å; F136-H140 VanDerWaalsContact O-N 3.09Å; F136-F148 AromaticContact CE1-CD1 3.79Å; F136-F148 HydrophobicContact CE1-CD1 3.79Å; F136-F148 HydrophobicContact CE1-CE1 4.21Å; F136-F148 AromaticContact CZ-CD1 3.86Å; F136-F148 HydrophobicContact CZ-CD1 3.86Å; F136-L151 HydrophobicContact CD2-CB 4.21Å; F136-L151 HydrophobicContact CE2-CB 3.67Å; F136-L151 HydrophobicContact CZ-CB 4.11Å; F136-Q152 HydrophobicContact CE2-CG 3.79Å; F136-Q152 HydrophobicContact CZ-CG 4.18Å; F136-Y155 HydrophobicContact CB-CD2 4.09Å; F136-Y155 HydrophobicContact CB-CE2 4.3Å; F136-Y155 HydrophobicContact CB-CG 4.35Å; F136-Y155 AromaticContact CD2-CD2 3.62Å; F136-Y155 HydrophobicContact CD2-CD2 3.62Å; F136-Y155 HydrophobicContact CD2-CE2 4.36Å; F136-Y155 HydrophobicContact CD2-CG 4.14Å; F136-Y155 HydrophobicContact CG-CD2 4.29Å
137	L	92.6	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-42.2	-177.7	-66.7	176.7	0	0	0	111.7	L64 L68 F85 L86 F91 I133 I134 H140 Q141	L64-L137 HydrophobicContact CD1-CD2 3.78Å; L68-L137 HydrophobicContact CD1-CD1 4.31Å; L68-L137 HydrophobicContact CD2-CD2 4.25Å; F85-L137 HydrophobicContact CE1-CB 3.71Å; F85-L137 HydrophobicContact CE1-CD1 3.87Å; F85-L137 HydrophobicContact CE1-CG 4.45Å; F85-L137 HydrophobicContact CZ-CB 3.87Å; L86-L137 HydrophobicContact CD2-CD1 3.84Å; F91-L137 HydrophobicContact CZ-CB 4.25Å; I133-L137 HydrophobicContact CG2-CD1 3.75Å; I133-L137 HydrophobicContact CG2-CG 4.27Å; I133-L137 WeakPolarHBondContact O-CB 3.25Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 2.56Å; I134-L137 PolarHBondContact O-N 2.86Å; L137-H140 PolarHBondContact O-N 2.85Å; L137-Q141 PolarHBondContact O-N 3.15Å
138	Q	91.3	Very high	89.6	Confident	15 Å²	15	30.3 Å²	30.3	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-39.2	177.3	-171.2	68.2	7.1	0	0	111.9	F85 I134 H140 Q141 L142 L178 L300	F85-Q138 HydrophobicContact CE2-CB 4.01Å; F85-Q138 HydrophobicContact CZ-CB 4.14Å; I134-Q138 VanDerWaalsContact O-CB 3.25Å; I134-Q138 WeakPolarHBondContact O-CB 3.5Å; I134-Q138 PolarHBondContact O-N 2.86Å; Q138-H140 VanDerWaalsContact C-N 3.32Å; Q138-H140 PolarHBondContact O-N 3.25Å; Q138-Q141 PolarHBondContact O-N 3.43Å; Q138-L142 HydrophobicContact CG-CD1 3.77Å; Q138-L142 HydrophobicContact CG-CG 4.23Å; Q138-L142 WeakPolarHBondContact O-CB 3.44Å; Q138-L142 WeakPolarHBondContact O-CG 3.31Å; Q138-L142 PolarHBondContact O-N 2.86Å; Q138-L178 HydrophobicContact CB-CD2 3.9Å; Q138-L178 HydrophobicContact CG-CD1 4.19Å; Q138-L178 HydrophobicContact CG-CD2 4.05Å; Q138-L300 HydrophobicContact CB-CD1 4.24Å; Q138-L300 HydrophobicContact CG-CD1 4.05Å; Q138-L300 HydrophobicContact CG-CD2 4.4Å
139	S	91.9	Very high	89.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-40.8	177.1	-63.1	0	0	0	0	111.8	S135 F136 L142 N143 Y155 L178 M179	S135-S139 VanDerWaalsContact O-CB 3.22Å; S135-S139 WeakPolarHBondContact O-CB 3.3Å; S135-S139 PolarHBondContact O-N 2.89Å; S135-S139 PolarHBondContact O-OG 2.9Å; F136-S139 PolarHBondContact O-N 2.7Å; S139-L142 PolarHBondContact O-N 2.99Å; S139-N143 WeakPolarHBondContact O-CB 3.21Å; S139-N143 PolarHBondContact O-N 3.04Å; S139-Y155 PolarHBondContact OG-OH 2.87Å; S139-L178 WeakPolarHBondContact OG-CA 3.03Å; S139-M179 PolarHBondContact OG-N 2.83Å
140	H	88.4	Confident	88.7	Confident	20 Å²	20	34.4 Å²	34.4	9%	0.093	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-40.7	174.5	-170.3	50.4	0	0	0	112.2	L64 F136 L137 Q138 L142 N143 P144 E146 F148 L151	L64-H140 WeakPolarHBondContact CD2-CD2 3.4Å; F136-H140 PolarHBondContact O-N 2.93Å; F136-H140 VanDerWaalsContact O-N 3.09Å; L137-H140 PolarHBondContact O-N 2.85Å; Q138-H140 VanDerWaalsContact C-N 3.32Å; Q138-H140 PolarHBondContact O-N 3.25Å; H140-L142 PolarHBondContact O-N 3.16Å; H140-N143 CarbonylContact O-C 3.48Å; H140-N143 PolarHBondContact O-N 3.27Å; H140-P144 WeakPolarHBondContact O-CA 3.46Å; H140-E146 PolarHBondContact ND1-O 3.38Å; H140-F148 AromaticContact CD2-CE1 3.4Å; H140-F148 WeakPolarHBondContact CD2-CE1 3.39Å; H140-F148 AromaticContact CD2-CZ 3.64Å; H140-F148 AromaticContact CG-CE1 3.95Å; H140-F148 AromaticContact NE2-CE1 3.59Å; H140-F148 AromaticContact NE2-CZ 3.41Å; H140-F148 WeakPolarHBondContact NE2-CZ 3.24Å; H140-L151 HydrophobicContact CB-CD1 3.45Å; H140-L151 VanDerWaalsContact CB-CD1 3.45Å
141	Q	84.1	Confident	88.3	Confident	72 Å²	72	34.4 Å²	34.4	34%	0.336	18%	0.181	S	C	.	.	H	α-helix	trans	-65.3	-38.3	177.1	-175	173.7	-10.9	0	0	112.8	L137 Q138	L137-Q141 PolarHBondContact O-N 3.15Å; Q138-Q141 PolarHBondContact O-N 3.43Å
142	L	84.4	Confident	87.8	Confident	77 Å²	77	37.3 Å²	37.3	40%	0.403	20%	0.195	S	C	.	.	H	α-helix	trans	-82.2	-20.4	179	-66.1	175.6	0	0	0	113.1	Q138 S139 H140 L178 L180	Q138-L142 HydrophobicContact CG-CD1 3.77Å; Q138-L142 HydrophobicContact CG-CG 4.23Å; Q138-L142 WeakPolarHBondContact O-CB 3.44Å; Q138-L142 WeakPolarHBondContact O-CG 3.31Å; Q138-L142 PolarHBondContact O-N 2.86Å; S139-L142 PolarHBondContact O-N 2.99Å; H140-L142 PolarHBondContact O-N 3.16Å; L142-L178 HydrophobicContact CD1-CD1 4.18Å; L142-L180 HydrophobicContact CB-CD2 3.77Å; L142-L180 HydrophobicContact CD1-CD2 3.38Å; L142-L180 HydrophobicContact CG-CD2 4.2Å
143	N	84.7	Confident	87.4	Confident	20 Å²	20	43.3 Å²	43.3	11%	0.107	23%	0.227	C	C	.	.			trans	-134.8	71.5	177.9	-166	3.7	0	0	0	111.5	S139 H140 Q145 E146 P181	S139-N143 WeakPolarHBondContact O-CB 3.21Å; S139-N143 PolarHBondContact O-N 3.04Å; H140-N143 CarbonylContact O-C 3.48Å; H140-N143 PolarHBondContact O-N 3.27Å; N143-Q145 PolarHBondContact O-N 3.23Å; N143-E146 HydrophobicContact CB-CG 4.48Å; N143-E146 WeakPolarHBondContact ND2-CG 3.4Å; N143-E146 PolarHBondContact O-N 3.41Å; N143-E146 VanDerWaalsContact O-N 3.14Å; N143-P181 HydrophobicContact CB-CG 4.14Å
144	P	79.4	Confident	87	Confident	93 Å²	93	47.5 Å²	47.5	60%	0.604	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.3	-175.6	27.2	-35.7	0	0	0	114.1	H140	H140-P144 WeakPolarHBondContact O-CA 3.46Å
145	Q	78.7	Confident	86.7	Confident	172 Å²	172	47.7 Å²	47.7	80%	0.804	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.9	175.8	-59.1	-63.3	-20.4	0	0	112.4	N143	N143-Q145 PolarHBondContact O-N 3.23Å
146	E	81.8	Confident	86	Confident	62 Å²	62	53.7 Å²	53.7	29%	0.29	27%	0.274	S	S	.	.	S	Bend	trans	-80.8	129.5	176.5	-70.9	-69.5	166.7	0	0	110.6	H140 N143 S150 L151	H140-E146 PolarHBondContact ND1-O 3.38Å; N143-E146 HydrophobicContact CB-CG 4.48Å; N143-E146 WeakPolarHBondContact ND2-CG 3.4Å; N143-E146 PolarHBondContact O-N 3.41Å; N143-E146 VanDerWaalsContact O-N 3.14Å; E146-S150 WeakPolarHBondContact OE2-CB 3.33Å; E146-S150 PolarHBondContact OE2-OG 3.31Å; E146-L151 HydrophobicContact CB-CD1 4.34Å; E146-L151 HydrophobicContact CB-CD2 4.17Å; E146-L151 HydrophobicContact CB-CG 3.98Å
147	S	84.5	Confident	85.4	Confident	55 Å²	55	55.7 Å²	55.7	39%	0.385	29%	0.288	S	S	.	.			trans	-70.7	159.6	176.3	90.1	0	0	0	0	111.4	E149 S150 L151	S147-E149 WeakPolarHBondContact CB-OE2 3.31Å; S147-E149 PolarHBondContact O-N 2.78Å; S147-E149 PolarHBondContact OG-N 3.42Å; S147-E149 PolarHBondContact OG-OE2 3.36Å; S147-S150 PolarHBondContact O-N 2.99Å; S147-S150 PolarHBondContact OG-N 3.21Å; S147-L151 PolarHBondContact O-N 3.37Å
148	F	85.6	Confident	84.7	Confident	7 Å²	7	59.1 Å²	59.1	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-37.9	176.2	-73.2	-62.2	0	0	0	112	L64 V66 F119 H121 I125 F136 H140 L151 Q152	L64-F148 HydrophobicContact CB-CZ 4.21Å; V66-F148 HydrophobicContact CG1-CE2 4Å; V66-F148 HydrophobicContact CG1-CZ 4.16Å; V66-F148 HydrophobicContact CG2-CZ 4.36Å; F119-F148 HydrophobicContact CE2-CD1 4Å; F119-F148 HydrophobicContact CE2-CD2 4.32Å; F119-F148 AromaticContact CE2-CE1 4Å; F119-F148 HydrophobicContact CE2-CE1 4Å; F119-F148 HydrophobicContact CE2-CE2 4.32Å; F119-F148 HydrophobicContact CE2-CG 4.16Å; F119-F148 HydrophobicContact CE2-CZ 4.15Å; F119-F148 AromaticContact CZ-CD1 3.99Å; F119-F148 HydrophobicContact CZ-CD1 3.99Å; F119-F148 HydrophobicContact CZ-CE1 4.11Å; F119-F148 HydrophobicContact CZ-CG 4.47Å; H121-F148 HydrophobicContact CB-CD2 4.18Å; H121-F148 AromaticContact CD2-CD2 3.61Å; H121-F148 AromaticContact CE1-CD2 3.82Å; H121-F148 AromaticContact CG-CD2 3.57Å; H121-F148 AromaticContact CG-CE2 4Å; H121-F148 AromaticContact ND1-CD2 3.72Å; H121-F148 AromaticContact ND1-CE2 3.77Å; H121-F148 AromaticContact NE2-CD2 3.77Å; I125-F148 HydrophobicContact CD1-CB 4.13Å; F136-F148 AromaticContact CE1-CD1 3.79Å; F136-F148 HydrophobicContact CE1-CD1 3.79Å; F136-F148 HydrophobicContact CE1-CE1 4.21Å; F136-F148 AromaticContact CZ-CD1 3.86Å; F136-F148 HydrophobicContact CZ-CD1 3.86Å; H140-F148 AromaticContact CD2-CE1 3.4Å; H140-F148 WeakPolarHBondContact CD2-CE1 3.39Å; H140-F148 AromaticContact CD2-CZ 3.64Å; H140-F148 AromaticContact CG-CE1 3.95Å; H140-F148 AromaticContact NE2-CE1 3.59Å; H140-F148 AromaticContact NE2-CZ 3.41Å; H140-F148 WeakPolarHBondContact NE2-CZ 3.24Å; F148-L151 PolarHBondContact O-N 2.99Å; F148-Q152 WeakPolarHBondContact O-CB 3.26Å; F148-Q152 VanDerWaalsContact O-CG 3.31Å; F148-Q152 WeakPolarHBondContact O-CG 3.21Å; F148-Q152 PolarHBondContact O-N 2.85Å
149	E	84	Confident	83.9	Confident	88 Å²	88	61.1 Å²	61.1	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-41.9	178.3	-55.9	74.9	-164.3	0	0	111.3	H121 S147 Q152 N153	H121-E149 IonicContact CD2-OE1 2.92Å; S147-E149 WeakPolarHBondContact CB-OE2 3.31Å; S147-E149 PolarHBondContact O-N 2.78Å; S147-E149 PolarHBondContact OG-N 3.42Å; S147-E149 PolarHBondContact OG-OE2 3.36Å; E149-Q152 PolarHBondContact O-N 3.37Å; E149-N153 PolarHBondContact O-N 2.82Å; E149-N153 PolarHBondContact O-ND2 3.28Å
150	S	85.2	Confident	82.9	Confident	33 Å²	33	64.1 Å²	64.1	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-47.4	174.6	-173.9	0	0	0	0	111	E146 S147 Q152 N153 F154	E146-S150 WeakPolarHBondContact OE2-CB 3.33Å; E146-S150 PolarHBondContact OE2-OG 3.31Å; S147-S150 PolarHBondContact O-N 2.99Å; S147-S150 PolarHBondContact OG-N 3.21Å; S150-Q152 VanDerWaalsContact C-N 3.34Å; S150-Q152 PolarHBondContact O-N 3.01Å; S150-N153 WeakPolarHBondContact O-CB 3.37Å; S150-N153 PolarHBondContact O-N 2.82Å; S150-F154 VanDerWaalsContact O-CD2 3.3Å; S150-F154 WeakPolarHBondContact O-CD2 3.33Å
151	L	86.8	Confident	81.4	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-37.3	176.3	-71.9	173.6	0	0	0	112.8	F136 H140 E146 S147 F148 N153 F154 Y155 M179	F136-L151 HydrophobicContact CD2-CB 4.21Å; F136-L151 HydrophobicContact CE2-CB 3.67Å; F136-L151 HydrophobicContact CZ-CB 4.11Å; H140-L151 HydrophobicContact CB-CD1 3.45Å; H140-L151 VanDerWaalsContact CB-CD1 3.45Å; E146-L151 HydrophobicContact CB-CD1 4.34Å; E146-L151 HydrophobicContact CB-CD2 4.17Å; E146-L151 HydrophobicContact CB-CG 3.98Å; S147-L151 PolarHBondContact O-N 3.37Å; F148-L151 PolarHBondContact O-N 2.99Å; L151-N153 PolarHBondContact O-N 2.93Å; L151-F154 WeakPolarHBondContact O-CB 3.32Å; L151-F154 PolarHBondContact O-N 3.19Å; L151-Y155 VanDerWaalsContact O-CD2 3.29Å; L151-Y155 WeakPolarHBondContact O-CD2 3.42Å; L151-Y155 PolarHBondContact O-N 2.93Å; L151-Y155 VanDerWaalsContact O-N 3.13Å; L151-M179 HydrophobicContact CD2-CB 4.11Å; L151-M179 HydrophobicContact CD2-CG 4.37Å
152	Q	85.6	Confident	79.7	Confident	65 Å²	65	71.9 Å²	71.9	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-31.9	176.8	-80.8	-177.8	-53.6	0	0	112.7	I125 F136 F148 E149 S150 F154 Y155 H156	I125-Q152 VanDerWaalsContact CG2-NE2 3.32Å; F136-Q152 HydrophobicContact CE2-CG 3.79Å; F136-Q152 HydrophobicContact CZ-CG 4.18Å; F148-Q152 WeakPolarHBondContact O-CB 3.26Å; F148-Q152 VanDerWaalsContact O-CG 3.31Å; F148-Q152 WeakPolarHBondContact O-CG 3.21Å; F148-Q152 PolarHBondContact O-N 2.85Å; E149-Q152 PolarHBondContact O-N 3.37Å; S150-Q152 VanDerWaalsContact C-N 3.34Å; S150-Q152 PolarHBondContact O-N 3.01Å; Q152-F154 VanDerWaalsContact C-N 3.33Å; Q152-Y155 CarbonylContact O-C 3.44Å; Q152-Y155 PolarHBondContact O-N 2.84Å; Q152-H156 PolarHBondContact O-N 3.27Å
153	N	85.8	Confident	78	Confident	127 Å²	127	71.3 Å²	71.3	68%	0.679	39%	0.387	S	S	*	.	H	α-helix	trans	-65.4	-37.4	174.6	-66.9	-34.3	0	0	0	111.9	E149 S150 L151	E149-N153 PolarHBondContact O-N 2.82Å; E149-N153 PolarHBondContact O-ND2 3.28Å; S150-N153 WeakPolarHBondContact O-CB 3.37Å; S150-N153 PolarHBondContact O-N 2.82Å; L151-N153 PolarHBondContact O-N 2.93Å
154	F	87	Confident	76.1	Confident	88 Å²	88	81 Å²	81	39%	0.386	43%	0.428	S	S	.	.	H	α-helix	trans	-70.9	-31	176.4	-68	-70.8	0	0	0	112.9	S150 L151 Q152 N174 M179	S150-F154 VanDerWaalsContact O-CD2 3.3Å; S150-F154 WeakPolarHBondContact O-CD2 3.33Å; L151-F154 WeakPolarHBondContact O-CB 3.32Å; L151-F154 PolarHBondContact O-N 3.19Å; Q152-F154 VanDerWaalsContact C-N 3.33Å; F154-N174 WeakPolarHBondContact O-CB 3.31Å; F154-N174 PolarHBondContact O-ND2 3.45Å; F154-M179 HydrophobicContact CB-CE 3.95Å; F154-M179 HydrophobicContact CB-CG 3.94Å; F154-M179 HydrophobicContact CB-SD 4.03Å; F154-M179 HydrophobicContact CD1-CE 4.48Å; F154-M179 HydrophobicContact CD1-CG 4.46Å; F154-M179 HydrophobicContact CD1-SD 3.84Å; F154-M179 HydrophobicContact CD2-CG 4.23Å; F154-M179 HydrophobicContact CE1-SD 4.48Å; F154-M179 HydrophobicContact CG-CE 4.46Å; F154-M179 HydrophobicContact CG-CG 3.97Å; F154-M179 HydrophobicContact CG-SD 3.93Å
155	Y	89.6	Confident	74.5	Confident	7 Å²	7	86.7 Å²	86.7	3%	0.027	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	28.8	-180	-64.3	-77.8	0	0	0	113.2	L132 S135 F136 S139 L151 Q152 S157 N174 R177 M179	L132-Y155 HydrophobicContact CG-CD1 4.35Å; S135-Y155 VanDerWaalsContact CB-CE1 3.42Å; S135-Y155 PolarHBondContact O-OH 2.94Å; F136-Y155 HydrophobicContact CB-CD2 4.09Å; F136-Y155 HydrophobicContact CB-CE2 4.3Å; F136-Y155 HydrophobicContact CB-CG 4.35Å; F136-Y155 AromaticContact CD2-CD2 3.62Å; F136-Y155 HydrophobicContact CD2-CD2 3.62Å; F136-Y155 HydrophobicContact CD2-CE2 4.36Å; F136-Y155 HydrophobicContact CD2-CG 4.14Å; F136-Y155 HydrophobicContact CG-CD2 4.29Å; S139-Y155 PolarHBondContact OG-OH 2.87Å; L151-Y155 VanDerWaalsContact O-CD2 3.29Å; L151-Y155 WeakPolarHBondContact O-CD2 3.42Å; L151-Y155 PolarHBondContact O-N 2.93Å; L151-Y155 VanDerWaalsContact O-N 3.13Å; Q152-Y155 CarbonylContact O-C 3.44Å; Q152-Y155 PolarHBondContact O-N 2.84Å; Y155-S157 PolarHBondContact O-N 3.37Å; Y155-N174 HydrophobicContact CD1-CB 4.43Å; Y155-N174 HydrophobicContact CE1-CB 4.4Å; Y155-N174 VanDerWaalsContact CE1-O 3.27Å; Y155-N174 WeakPolarHBondContact CE1-O 3.44Å; Y155-R177 PolarHBondContact OH-O 3.36Å; Y155-M179 HydrophobicContact CE1-CE 4.38Å; Y155-M179 HydrophobicContact CE2-CE 4.45Å; Y155-M179 HydrophobicContact CE2-CG 3.96Å
156	H	81.6	Confident	72.9	Confident	127 Å²	127	88.8 Å²	88.8	59%	0.588	44%	0.444	S	S	*	.			trans	-55.2	127.8	176.3	-173.6	81.6	0	0	0	110.2	Q152	Q152-H156 PolarHBondContact O-N 3.27Å
157	S	81.1	Confident	71.5	Confident	42 Å²	42	87.1 Å²	87.1	29%	0.294	44%	0.443	S	S	.	.			trans	-122.1	127.4	-178.2	50.7	0	0	0	0	111.6	Y155 L171	Y155-S157 PolarHBondContact O-N 3.37Å; S157-L171 WeakPolarHBondContact CA-O 3.28Å
158	T	77.1	Confident	70.6	Confident	72 Å²	72	88.8 Å²	88.8	44%	0.442	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135	171.9	-50.9	0	0	0	0	109.1	L171	T158-L171 PolarHBondContact N-O 2.94Å; T158-L171 VanDerWaalsContact N-O 3.11Å; T158-L171 PolarHBondContact O-N 3.13Å
159	L	74.2	Confident	69.8	Low	57 Å²	57	93.5 Å²	93.5	30%	0.298	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111	171.8	-67	178	0	0	0	109.6	V110 Y111 R168 E169 V170	V110-L159 HydrophobicContact CB-CD1 4.26Å; V110-L159 HydrophobicContact CG1-CD1 3.89Å; Y111-L159 HydrophobicContact CD2-CD2 3.72Å; Y111-L159 HydrophobicContact CG-CD2 4.49Å; L159-R168 HydrophobicContact CB-CB 4.3Å; L159-R168 HydrophobicContact CD2-CB 4.28Å; L159-E169 WeakPolarHBondContact CA-O 3.38Å; L159-V170 HydrophobicContact CD2-CG2 3.99Å
160	V	71.1	Confident	69.5	Low	63 Å²	63	89.9 Å²	89.9	38%	0.382	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.1	176.2	-174.8	0	0	0	0	109.5	R168 E169 L171	V160-R168 WeakPolarHBondContact O-CA 3.31Å; V160-E169 PolarHBondContact N-O 3.23Å; V160-E169 PolarHBondContact O-N 2.95Å; V160-L171 HydrophobicContact CG2-CB 3.95Å; V160-L171 HydrophobicContact CG2-CD2 4.25Å
161	E	57.9	Low	69.4	Low	121 Å²	121	93.4 Å²	93.4	57%	0.565	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	109.7	171.7	-77	-170.7	168.3	0	0	110.6	G163 R168	E161-G163 PolarHBondContact O-N 2.8Å; E161-G163 VanDerWaalsContact O-N 3.16Å; E161-R168 HydrophobicContact CG-CG 3.9Å; E161-R168 IonicContact OE1-CZ 3.82Å; E161-R168 VanDerWaalsContact OE1-CZ 3.3Å; E161-R168 IonicContact OE1-NE 3.65Å; E161-R168 PolarHBondContact OE1-NE 2.83Å; E161-R168 IonicContact OE1-NH2 3.45Å; E161-R168 PolarHBondContact OE1-NH2 3.25Å
162	E	48.5	Very low	69.5	Low	133 Å²	133	93.9 Å²	93.9	62%	0.621	47%	0.466	S	S	*	.			trans	-78.8	92.5	170	-79.2	-162.2	139	0	0	111.4
163	G	48.6	Very low	69.5	Low	66 Å²	66	96.1 Å²	96.1	68%	0.68	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-156.8	167.7	0	0	0	0	0	115.3	E161 R165	E161-G163 PolarHBondContact O-N 2.8Å; E161-G163 VanDerWaalsContact O-N 3.16Å; G163-R165 PolarHBondContact O-N 2.86Å
164	K	43.2	Very low	69.7	Low	224 Å²	224	91.9 Å²	91.9	97%	0.974	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	3.1	-175.3	-73.6	-171.1	178.4	-179.4	0	114.9
165	R	46.5	Very low	69.9	Low	212 Å²	212	89.2 Å²	89.2	80%	0.8	45%	0.452	S	S	*	.	S	Bend	trans	-104.9	124.9	178.3	-73.4	-178.5	176	169.6	1.8	108.7	G163 G167	G163-R165 PolarHBondContact O-N 2.86Å; R165-G167 PolarHBondContact O-N 3.1Å
166	K	45.8	Very low	70.2	Confident	216 Å²	216	90 Å²	90	94%	0.939	46%	0.455	S	S	*	.			trans	-64.9	44.8	177.8	-72.3	-177.2	172	179.3	0	114.1
167	G	51.2	Low	70.7	Confident	26 Å²	26	90.7 Å²	90.7	27%	0.268	45%	0.453	S	S	.	.			trans	-104.6	91.7	174.2	0	0	0	0	0	109.4	R165	R165-G167 PolarHBondContact O-N 3.1Å
168	R	65.7	Low	71.2	Confident	90 Å²	90	90.3 Å²	90.3	34%	0.34	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.7	172.5	-68.6	174.8	-176.9	166.7	-7.7	109.2	V110 K113 L159 V160 E161	V110-R168 PolarHBondContact O-NH1 2.83Å; K113-R168 WeakPolarHBondContact CE-O 3.49Å; K113-R168 PolarHBondContact NZ-O 3.39Å; L159-R168 HydrophobicContact CB-CB 4.3Å; L159-R168 HydrophobicContact CD2-CB 4.28Å; V160-R168 WeakPolarHBondContact O-CA 3.31Å; E161-R168 HydrophobicContact CG-CG 3.9Å; E161-R168 IonicContact OE1-CZ 3.82Å; E161-R168 VanDerWaalsContact OE1-CZ 3.3Å; E161-R168 IonicContact OE1-NE 3.65Å; E161-R168 PolarHBondContact OE1-NE 2.83Å; E161-R168 IonicContact OE1-NH2 3.45Å; E161-R168 PolarHBondContact OE1-NH2 3.25Å
169	E	69.2	Low	71.8	Confident	106 Å²	106	88.3 Å²	88.3	50%	0.495	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	144.8	176.7	-164.4	157.6	-129.5	0	0	110.3	L159 V160 L171	L159-E169 WeakPolarHBondContact CA-O 3.38Å; V160-E169 PolarHBondContact N-O 3.23Å; V160-E169 PolarHBondContact O-N 2.95Å; E169-L171 PolarHBondContact O-N 3.39Å
170	V	78.9	Confident	72.3	Confident	13 Å²	13	87.5 Å²	87.5	8%	0.079	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.8	-179.2	174.1	0	0	0	0	106.8	Y111 N128 D129 L132 L159 C172	Y111-V170 HydrophobicContact CD2-CG2 3.91Å; Y111-V170 HydrophobicContact CE2-CG2 3.43Å; Y111-V170 VanDerWaalsContact CE2-CG2 3.43Å; N128-V170 HydrophobicContact CB-CG2 4.15Å; D129-V170 HydrophobicContact CB-CB 4.36Å; D129-V170 HydrophobicContact CB-CG1 4.36Å; D129-V170 HydrophobicContact CB-CG2 4.32Å; L132-V170 HydrophobicContact CD1-CG1 3.9Å; L159-V170 HydrophobicContact CD2-CG2 3.99Å; V170-C172 HydrophobicContact CG1-CB 4.35Å
171	L	82.4	Confident	72.6	Confident	106 Å²	106	87.2 Å²	87.2	56%	0.555	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.8	170.5	-174.4	68.9	0	0	0	108.6	S157 T158 V160 E169	S157-L171 WeakPolarHBondContact CA-O 3.28Å; T158-L171 PolarHBondContact N-O 2.94Å; T158-L171 VanDerWaalsContact N-O 3.11Å; T158-L171 PolarHBondContact O-N 3.13Å; V160-L171 HydrophobicContact CG2-CB 3.95Å; V160-L171 HydrophobicContact CG2-CD2 4.25Å; E169-L171 PolarHBondContact O-N 3.39Å
172	C	88.1	Confident	73.2	Confident	11 Å²	11	89.8 Å²	89.8	7%	0.074	44%	0.44	C	S	.	.			trans	-139.2	103.9	174.3	172.9	0	0	0	0	108.7	L132 V170 N174 K175	L132-C172 HydrophobicContact CD1-CB 3.72Å; V170-C172 HydrophobicContact CG1-CB 4.35Å; C172-N174 PolarHBondContact O-N 3.2Å; C172-N174 VanDerWaalsContact O-N 3.13Å; C172-K175 HydrophobicContact CB-CB 4.29Å; C172-K175 WeakPolarHBondContact O-CB 3.24Å; C172-K175 PolarHBondContact O-N 3.26Å
173	P	85.3	Confident	73.9	Confident	112 Å²	112	92.5 Å²	92.5	73%	0.727	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.9	-178.9	-26.7	35.1	0	0	0	113.7	K175	P173-K175 VanDerWaalsContact C-N 3.34Å
174	N	91	Very high	74.4	Confident	38 Å²	38	90.7 Å²	90.7	20%	0.203	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12	-179.8	-67.6	-32.1	0	0	0	113.6	F154 Y155 C172 Y176 R177 M179	F154-N174 WeakPolarHBondContact O-CB 3.31Å; F154-N174 PolarHBondContact O-ND2 3.45Å; Y155-N174 HydrophobicContact CD1-CB 4.43Å; Y155-N174 HydrophobicContact CE1-CB 4.4Å; Y155-N174 VanDerWaalsContact CE1-O 3.27Å; Y155-N174 WeakPolarHBondContact CE1-O 3.44Å; C172-N174 PolarHBondContact O-N 3.2Å; C172-N174 VanDerWaalsContact O-N 3.13Å; N174-Y176 PolarHBondContact O-N 3.18Å; N174-R177 HydrophobicContact CB-CB 4.42Å; N174-R177 PolarHBondContact O-N 2.9Å; N174-R177 WeakPolarHBondContact OD1-CD 3.28Å; N174-M179 HydrophobicContact CB-CE 3.72Å
175	K	92.1	Very high	75.3	Confident	31 Å²	31	82 Å²	82	14%	0.135	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.5	-174.3	172.5	175.3	164.7	174.6	0	114	D129 S131 L132 S135 C172 P173 D203	D129-K175 WeakPolarHBondContact OD1-CE 3.43Å; D129-K175 IonicContact OD1-NZ 3.94Å; D129-K175 PolarHBondContact OD1-NZ 2.62Å; D129-K175 WeakPolarHBondContact OD2-CE 3.35Å; D129-K175 IonicContact OD2-NZ 3.72Å; D129-K175 PolarHBondContact OD2-NZ 2.9Å; S131-K175 CarbonylContact C-O 3.29Å; S131-K175 VanDerWaalsContact O-O 3.08Å; L132-K175 HydrophobicContact CB-CG 4.33Å; S135-K175 WeakPolarHBondContact CB-O 3.41Å; S135-K175 PolarHBondContact OG-O 3.48Å; C172-K175 HydrophobicContact CB-CB 4.29Å; C172-K175 WeakPolarHBondContact O-CB 3.24Å; C172-K175 PolarHBondContact O-N 3.26Å; P173-K175 VanDerWaalsContact C-N 3.34Å; K175-D203 WeakPolarHBondContact CE-OD2 3.42Å; K175-D203 IonicContact NZ-OD2 3.47Å; K175-D203 PolarHBondContact NZ-OD2 3.47Å
176	Y	94.4	Very high	76	Confident	25 Å²	25	80.7 Å²	80.7	10%	0.098	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-2.2	-178.9	-52.8	-73.4	0	0	0	114.3	N174 R199 Q200 D203	N174-Y176 PolarHBondContact O-N 3.18Å; Y176-R199 HydrophobicContact CD1-CB 4.02Å; Y176-R199 PolarHBondContact O-NH1 3.03Å; Y176-R199 VanDerWaalsContact O-NH1 3.15Å; Y176-Q200 HydrophobicContact CD2-CB 4.07Å; Y176-Q200 HydrophobicContact CD2-CG 4.35Å; Y176-Q200 HydrophobicContact CE1-CB 4.35Å; Y176-Q200 HydrophobicContact CE2-CB 3.83Å; Y176-Q200 HydrophobicContact CE2-CG 3.75Å; Y176-Q200 HydrophobicContact CG-CB 4.42Å; Y176-D203 HydrophobicContact CE1-CB 4.45Å; Y176-D203 WeakPolarHBondContact CE1-OD2 3.39Å; Y176-D203 VanDerWaalsContact OH-CB 3.31Å; Y176-D203 WeakPolarHBondContact OH-CB 3.49Å; Y176-D203 PolarHBondContact OH-OD2 3.15Å; Y176-D203 VanDerWaalsContact OH-OD2 3.1Å
177	R	92.5	Very high	76.6	Confident	141 Å²	141	75.5 Å²	75.5	53%	0.532	39%	0.388	S	S	.	.			trans	-89	141.8	-177.2	-69.2	-177.2	178.3	-175.6	-1.3	110.8	Y155 N174 M179 M196	Y155-R177 PolarHBondContact OH-O 3.36Å; N174-R177 HydrophobicContact CB-CB 4.42Å; N174-R177 PolarHBondContact O-N 2.9Å; N174-R177 WeakPolarHBondContact OD1-CD 3.28Å; R177-M179 HydrophobicContact CB-CE 4.09Å; R177-M196 HydrophobicContact CG-SD 3.67Å
178	L	91.5	Very high	77.6	Confident	33 Å²	33	79.5 Å²	79.5	17%	0.173	40%	0.399	C	S	.	.			trans	-98.6	137.3	172	-60.6	-178.7	0	0	0	110.7	Q138 S139 L142 L180 L192 L300	Q138-L178 HydrophobicContact CB-CD2 3.9Å; Q138-L178 HydrophobicContact CG-CD1 4.19Å; Q138-L178 HydrophobicContact CG-CD2 4.05Å; S139-L178 WeakPolarHBondContact OG-CA 3.03Å; L142-L178 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CB-CD2 4.13Å; L178-L180 HydrophobicContact CB-CG 4.15Å; L178-L180 PolarHBondContact O-N 2.68Å; L178-L192 HydrophobicContact CD1-CD2 4.27Å; L178-L300 HydrophobicContact CD1-CD1 4.01Å; L178-L300 HydrophobicContact CD2-CD1 3.89Å; L178-L300 HydrophobicContact CG-CD1 4.38Å
179	M	89.3	Confident	78.2	Confident	31 Å²	31	78 Å²	78	15%	0.153	41%	0.406	C	S	.	.			trans	-92.9	90.7	176.7	-52.2	-57.9	151.2	0	0	109.1	S139 L151 F154 Y155 N174 R177	S139-M179 PolarHBondContact OG-N 2.83Å; L151-M179 HydrophobicContact CD2-CB 4.11Å; L151-M179 HydrophobicContact CD2-CG 4.37Å; F154-M179 HydrophobicContact CB-CE 3.95Å; F154-M179 HydrophobicContact CB-CG 3.94Å; F154-M179 HydrophobicContact CB-SD 4.03Å; F154-M179 HydrophobicContact CD1-CE 4.48Å; F154-M179 HydrophobicContact CD1-CG 4.46Å; F154-M179 HydrophobicContact CD1-SD 3.84Å; F154-M179 HydrophobicContact CD2-CG 4.23Å; F154-M179 HydrophobicContact CE1-SD 4.48Å; F154-M179 HydrophobicContact CG-CE 4.46Å; F154-M179 HydrophobicContact CG-CG 3.97Å; F154-M179 HydrophobicContact CG-SD 3.93Å; Y155-M179 HydrophobicContact CE1-CE 4.38Å; Y155-M179 HydrophobicContact CE2-CE 4.45Å; Y155-M179 HydrophobicContact CE2-CG 3.96Å; N174-M179 HydrophobicContact CB-CE 3.72Å; R177-M179 HydrophobicContact CB-CE 4.09Å
180	L	84.7	Confident	79	Confident	40 Å²	40	81.2 Å²	81.2	21%	0.209	42%	0.421	C	S	.	.			trans	-97.3	154.9	-176	-57.4	177.6	0	0	0	111.8	L142 L178 A185 L192	L142-L180 HydrophobicContact CB-CD2 3.77Å; L142-L180 HydrophobicContact CD1-CD2 3.38Å; L142-L180 HydrophobicContact CG-CD2 4.2Å; L178-L180 HydrophobicContact CB-CD2 4.13Å; L178-L180 HydrophobicContact CB-CG 4.15Å; L178-L180 PolarHBondContact O-N 2.68Å; L180-A185 HydrophobicContact CB-CB 4.38Å; L180-L192 HydrophobicContact CD1-CD1 3.46Å; L180-L192 VanDerWaalsContact CD1-CD1 3.46Å; L180-L192 HydrophobicContact CD1-CD2 4.26Å
181	P	77.9	Confident	79.4	Confident	56 Å²	56	83 Å²	83	36%	0.364	44%	0.435	S	S	.	.			trans	-59.6	148.2	167.9	-18	30.8	0	0	0	111.1	N143 K183 G184 A185	N143-P181 HydrophobicContact CB-CG 4.14Å; P181-K183 PolarHBondContact O-N 2.84Å; P181-G184 PolarHBondContact O-N 3.34Å; P181-A185 PolarHBondContact O-N 3.27Å
182	E	69.7	Low	79.7	Confident	176 Å²	176	80.1 Å²	80.1	82%	0.822	42%	0.419	S	S	*	.	H	α-helix	trans	-49.5	-37.3	-173	-70.8	-170.7	160	0	0	114.7
183	K	63.1	Low	80	Confident	189 Å²	189	85.4 Å²	85.4	82%	0.822	44%	0.441	S	S	*	.	H	α-helix	trans	-69.8	-36.1	178.5	-71.9	-175.5	178.9	178.7	0	112.9	P181 V187	P181-K183 PolarHBondContact O-N 2.84Å; K183-V187 WeakPolarHBondContact O-CG2 3.32Å
184	G	60.5	Low	80.4	Confident	29 Å²	29	82.5 Å²	82.5	30%	0.299	42%	0.418	S	S	.	.	H	α-helix	trans	-74.3	-35.8	-178.1	0	0	0	0	0	113.1	P181 K186	P181-G184 PolarHBondContact O-N 3.34Å; G184-K186 PolarHBondContact O-N 2.84Å
185	A	61.4	Low	80.6	Confident	42 Å²	42	81.6 Å²	81.6	35%	0.347	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-36.6	-177.6	0	0	0	0	0	113.6	L180 P181	L180-A185 HydrophobicContact CB-CB 4.38Å; P181-A185 PolarHBondContact O-N 3.27Å
186	K	60.5	Low	80.8	Confident	183 Å²	183	82.4 Å²	82.4	80%	0.796	42%	0.417	S	S	*	.	H	α-helix	trans	-75.8	-33.2	-176	-69.8	-175.9	-179.3	177.1	0	113.8	G184 H188	G184-K186 PolarHBondContact O-N 2.84Å; K186-H188 VanDerWaalsContact C-N 3.34Å; K186-H188 PolarHBondContact O-N 3.19Å
187	V	59.4	Low	80.9	Confident	108 Å²	108	86 Å²	86	66%	0.655	44%	0.435	S	S	*	.	H	α-helix	trans	-73.6	-27	-173.1	179.7	0	0	0	0	112.1	K183	K183-V187 WeakPolarHBondContact O-CG2 3.32Å
188	H	71.7	Confident	81.1	Confident	109 Å²	109	81 Å²	81	51%	0.505	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	20.7	-171.6	-60.8	-67.1	0	0	0	114.2	K186 E190 S191 L192	K186-H188 VanDerWaalsContact C-N 3.34Å; K186-H188 PolarHBondContact O-N 3.19Å; H188-E190 PolarHBondContact O-N 3.14Å; H188-S191 PolarHBondContact O-N 2.88Å; H188-L192 HydrophobicContact CB-CD1 4.08Å; H188-L192 HydrophobicContact CB-CG 4.1Å; H188-L192 WeakPolarHBondContact O-CB 3.39Å; H188-L192 VanDerWaalsContact O-CG 3.31Å; H188-L192 WeakPolarHBondContact O-CG 3.4Å; H188-L192 PolarHBondContact O-N 3.44Å
189	A	79.3	Confident	81.4	Confident	59 Å²	59	79.6 Å²	79.6	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-54.9	-43.6	-169.6	0	0	0	0	0	114.5	K193	A189-K193 WeakPolarHBondContact O-CB 3.39Å; A189-K193 PolarHBondContact O-N 3.22Å
190	E	86.2	Confident	81.8	Confident	173 Å²	173	82.2 Å²	82.2	81%	0.808	42%	0.42	S	S	*	.	H	α-helix	trans	-68.3	-44.9	178.4	-69.1	-178.7	173	0	0	112.3	H188 L192 K193 E194	H188-E190 PolarHBondContact O-N 3.14Å; E190-L192 PolarHBondContact O-N 3.44Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.04Å; E190-E194 PolarHBondContact O-N 3.24Å
191	S	86.7	Confident	82.4	Confident	52 Å²	52	81.9 Å²	81.9	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-38.5	178.5	178.6	0	0	0	0	112.1	H188 E194 E195	H188-S191 PolarHBondContact O-N 2.88Å; S191-E194 PolarHBondContact O-N 2.81Å; S191-E195 WeakPolarHBondContact O-CB 3.49Å; S191-E195 PolarHBondContact O-N 2.76Å
192	L	89.1	Confident	83.3	Confident	45 Å²	45	79.2 Å²	79.2	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-68.1	-35.4	174.9	-69.9	170	0	0	0	112	L178 L180 H188 E190 M196	L178-L192 HydrophobicContact CD1-CD2 4.27Å; L180-L192 HydrophobicContact CD1-CD1 3.46Å; L180-L192 VanDerWaalsContact CD1-CD1 3.46Å; L180-L192 HydrophobicContact CD1-CD2 4.26Å; H188-L192 HydrophobicContact CB-CD1 4.08Å; H188-L192 HydrophobicContact CB-CG 4.1Å; H188-L192 WeakPolarHBondContact O-CB 3.39Å; H188-L192 VanDerWaalsContact O-CG 3.31Å; H188-L192 WeakPolarHBondContact O-CG 3.4Å; H188-L192 PolarHBondContact O-N 3.44Å; E190-L192 PolarHBondContact O-N 3.44Å; L192-M196 VanDerWaalsContact O-CB 3.28Å; L192-M196 WeakPolarHBondContact O-CB 3.21Å; L192-M196 PolarHBondContact O-N 2.61Å
193	K	92.9	Very high	84.6	Confident	122 Å²	122	71 Å²	71	53%	0.53	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-46.8	174.7	-174.2	-175.5	173.6	-164.2	0	110.9	A189 E190 M196 E197	A189-K193 WeakPolarHBondContact O-CB 3.39Å; A189-K193 PolarHBondContact O-N 3.22Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.04Å; K193-M196 PolarHBondContact O-N 3.09Å; K193-E197 WeakPolarHBondContact CE-OE1 3.46Å; K193-E197 IonicContact NZ-OE1 2.77Å; K193-E197 WeakPolarHBondContact O-CG 3.27Å; K193-E197 PolarHBondContact O-N 2.95Å
194	E	95.1	Very high	86	Confident	51 Å²	51	66.2 Å²	66.2	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-47	175.5	-178	180	-143.4	0	0	111.1	E190 S191 M196 E197 W198 R290 L293	E190-E194 PolarHBondContact O-N 3.24Å; S191-E194 PolarHBondContact O-N 2.81Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.03Å; E194-E197 PolarHBondContact O-N 3.26Å; E194-W198 VanDerWaalsContact O-CD1 3.31Å; E194-W198 PolarHBondContact O-N 2.92Å; E194-R290 IonicContact OE1-CZ 2.73Å; E194-R290 IonicContact OE1-NH1 3.45Å; E194-R290 IonicContact OE1-NH2 3.56Å; E194-R290 PolarHBondContact OE1-NH2 2.78Å; E194-R290 IonicContact OE2-CZ 2.73Å; E194-R290 IonicContact OE2-NH1 2.61Å; E194-R290 PolarHBondContact OE2-NH1 2.83Å; E194-R290 IonicContact OE2-NH2 3.85Å; E194-R290 PolarHBondContact OE2-NH2 2.82Å; E194-L293 HydrophobicContact CG-CD1 4.47Å; E194-L293 HydrophobicContact CG-CD2 4.4Å
195	E	94.8	Very high	87.7	Confident	18 Å²	18	69.2 Å²	69.2	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-46.8	175.5	-174.4	-165.2	88.8	0	0	111.3	S191 W198 R199 N299 L300 A301	S191-E195 WeakPolarHBondContact O-CB 3.49Å; S191-E195 PolarHBondContact O-N 2.76Å; E195-W198 PolarHBondContact O-N 3.31Å; E195-R199 HydrophobicContact CG-CG 4.35Å; E195-R199 WeakPolarHBondContact O-CB 3.4Å; E195-R199 WeakPolarHBondContact O-CG 3.32Å; E195-R199 PolarHBondContact O-N 3.4Å; E195-R199 IonicContact OE1-NH1 2.76Å; E195-N299 HydrophobicContact CG-CB 4.34Å; E195-N299 VanDerWaalsContact OE2-CB 3.29Å; E195-N299 WeakPolarHBondContact OE2-CB 3.21Å; E195-L300 HydrophobicContact CG-CB 4.14Å; E195-L300 WeakPolarHBondContact OE2-CB 3.42Å; E195-L300 PolarHBondContact OE2-N 3.06Å; E195-A301 HydrophobicContact CG-CB 4.03Å
196	M	95.2	Very high	89.4	Confident	49 Å²	49	67.2 Å²	67.2	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-45.8	179.7	-175	-177.7	61.3	0	0	112.1	R177 L192 K193 E194 R199 Q200	R177-M196 HydrophobicContact CG-SD 3.67Å; L192-M196 VanDerWaalsContact O-CB 3.28Å; L192-M196 WeakPolarHBondContact O-CB 3.21Å; L192-M196 PolarHBondContact O-N 2.61Å; K193-M196 PolarHBondContact O-N 3.09Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.03Å; M196-R199 PolarHBondContact O-N 3.07Å; M196-Q200 WeakPolarHBondContact O-CB 3.2Å; M196-Q200 PolarHBondContact O-N 2.92Å
197	E	96.9	Very high	91.1	Very high	99 Å²	99	58.9 Å²	58.9	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-44.8	178.1	-74.8	173.9	177.5	0	0	111.3	K193 E194 Q200 W201	K193-E197 WeakPolarHBondContact CE-OE1 3.46Å; K193-E197 IonicContact NZ-OE1 2.77Å; K193-E197 WeakPolarHBondContact O-CG 3.27Å; K193-E197 PolarHBondContact O-N 2.95Å; E194-E197 PolarHBondContact O-N 3.26Å; E197-Q200 PolarHBondContact O-N 3.48Å; E197-W201 WeakPolarHBondContact O-CB 3.45Å; E197-W201 PolarHBondContact O-N 2.81Å
198	W	97.8	Very high	92.7	Very high	38 Å²	38	56 Å²	56	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-74.3	-32.9	180	-81.6	103.8	0	0	0	113.6	E194 E195 Q200 W201 V202 E281 W282 A285 L293 A301	E194-W198 VanDerWaalsContact O-CD1 3.31Å; E194-W198 PolarHBondContact O-N 2.92Å; E195-W198 PolarHBondContact O-N 3.31Å; W198-Q200 VanDerWaalsContact C-N 3.31Å; W198-Q200 PolarHBondContact O-N 3.16Å; W198-W201 HydrophobicContact CE3-CB 4.06Å; W198-W201 AromaticContact CE3-CD2 3.64Å; W198-W201 HydrophobicContact CE3-CD2 3.64Å; W198-W201 AromaticContact CE3-CE3 3.62Å; W198-W201 HydrophobicContact CE3-CE3 3.62Å; W198-W201 AromaticContact CE3-CG 3.83Å; W198-W201 HydrophobicContact CE3-CG 3.83Å; W198-W201 HydrophobicContact CE3-CZ3 4.28Å; W198-W201 HydrophobicContact CH2-CD2 4.41Å; W198-W201 HydrophobicContact CZ3-CB 4.48Å; W198-W201 AromaticContact CZ3-CD2 3.38Å; W198-W201 HydrophobicContact CZ3-CD2 3.38Å; W198-W201 AromaticContact CZ3-CE2 3.53Å; W198-W201 AromaticContact CZ3-CE3 3.6Å; W198-W201 HydrophobicContact CZ3-CE3 3.6Å; W198-W201 AromaticContact CZ3-CG 3.78Å; W198-W201 HydrophobicContact CZ3-CG 3.78Å; W198-W201 HydrophobicContact CZ3-CH2 4.19Å; W198-W201 AromaticContact CZ3-CZ2 3.98Å; W198-W201 HydrophobicContact CZ3-CZ2 3.98Å; W198-W201 AromaticContact CZ3-CZ3 3.99Å; W198-W201 HydrophobicContact CZ3-CZ3 3.99Å; W198-W201 AromaticContact CZ3-NE1 3.82Å; W198-W201 PolarHBondContact O-N 2.68Å; W198-V202 WeakPolarHBondContact O-CG2 3.5Å; W198-V202 PolarHBondContact O-N 3.4Å; W198-E281 HydrophobicContact CH2-CG 4.08Å; W198-W282 HydrophobicContact CB-CZ3 3.95Å; W198-W282 HydrophobicContact CD2-CE3 4.28Å; W198-W282 HydrophobicContact CD2-CZ3 4.12Å; W198-W282 AromaticContact CE3-CE3 3.5Å; W198-W282 HydrophobicContact CE3-CE3 3.5Å; W198-W282 VanDerWaalsContact CE3-CE3 3.5Å; W198-W282 AromaticContact CE3-CZ3 3.67Å; W198-W282 HydrophobicContact CE3-CZ3 3.67Å; W198-W282 HydrophobicContact CG-CZ3 4.24Å; W198-W282 AromaticContact CZ3-CE3 3.95Å; W198-W282 HydrophobicContact CZ3-CE3 3.95Å; W198-A285 HydrophobicContact CD2-CB 4.08Å; W198-A285 HydrophobicContact CE3-CB 4.43Å; W198-A285 HydrophobicContact CH2-CB 3.45Å; W198-A285 VanDerWaalsContact CH2-CB 3.45Å; W198-A285 HydrophobicContact CZ2-CB 3.03Å; W198-A285 HydrophobicContact CZ3-CB 4.13Å; W198-L293 HydrophobicContact CB-CD2 3.7Å; W198-L293 HydrophobicContact CG-CD2 3.79Å; W198-A301 HydrophobicContact CB-CB 3.84Å
199	R	97.5	Very high	93.9	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-42.1	169.2	-74	170.3	71.7	-166.3	-5	111.6	S131 S135 Y176 E195 M196 V202 D203 L300 A301	S131-R199 PolarHBondContact O-NH2 3.45Å; S135-R199 PolarHBondContact OG-NH1 2.71Å; S135-R199 PolarHBondContact OG-NH2 3.44Å; Y176-R199 HydrophobicContact CD1-CB 4.02Å; Y176-R199 PolarHBondContact O-NH1 3.03Å; Y176-R199 VanDerWaalsContact O-NH1 3.15Å; E195-R199 HydrophobicContact CG-CG 4.35Å; E195-R199 WeakPolarHBondContact O-CB 3.4Å; E195-R199 WeakPolarHBondContact O-CG 3.32Å; E195-R199 PolarHBondContact O-N 3.4Å; E195-R199 IonicContact OE1-NH1 2.76Å; M196-R199 PolarHBondContact O-N 3.07Å; R199-V202 PolarHBondContact O-N 3.45Å; R199-D203 PolarHBondContact O-N 2.88Å; R199-L300 HydrophobicContact CG-CB 4.47Å; R199-A301 HydrophobicContact CG-CB 3.87Å
200	Q	96.6	Very high	94.6	Very high	86 Å²	86	48.8 Å²	48.8	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-67.2	-42.3	175.5	-177.8	171.3	0.7	0	0	111.3	Y176 M196 E197 W198 V202 D203 D204	Y176-Q200 HydrophobicContact CD2-CB 4.07Å; Y176-Q200 HydrophobicContact CD2-CG 4.35Å; Y176-Q200 HydrophobicContact CE1-CB 4.35Å; Y176-Q200 HydrophobicContact CE2-CB 3.83Å; Y176-Q200 HydrophobicContact CE2-CG 3.75Å; Y176-Q200 HydrophobicContact CG-CB 4.42Å; M196-Q200 WeakPolarHBondContact O-CB 3.2Å; M196-Q200 PolarHBondContact O-N 2.92Å; E197-Q200 PolarHBondContact O-N 3.48Å; W198-Q200 VanDerWaalsContact C-N 3.31Å; W198-Q200 PolarHBondContact O-N 3.16Å; Q200-V202 VanDerWaalsContact C-N 3.3Å; Q200-V202 PolarHBondContact O-N 3.24Å; Q200-D203 PolarHBondContact O-N 3.16Å; Q200-D203 VanDerWaalsContact O-N 3.11Å; Q200-D204 WeakPolarHBondContact CG-OD2 3.47Å; Q200-D204 PolarHBondContact NE2-OD2 3.28Å; Q200-D204 WeakPolarHBondContact O-CB 3.41Å; Q200-D204 PolarHBondContact O-N 3.46Å
201	W	98	Very high	95	Very high	33 Å²	33	41.8 Å²	41.8	13%	0.125	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-39.8	175.5	179.4	102.7	0	0	0	112.7	E197 W198 D203 K205 F206 G278 E281 W282 M305	E197-W201 WeakPolarHBondContact O-CB 3.45Å; E197-W201 PolarHBondContact O-N 2.81Å; W198-W201 HydrophobicContact CE3-CB 4.06Å; W198-W201 AromaticContact CE3-CD2 3.64Å; W198-W201 HydrophobicContact CE3-CD2 3.64Å; W198-W201 AromaticContact CE3-CE3 3.62Å; W198-W201 HydrophobicContact CE3-CE3 3.62Å; W198-W201 AromaticContact CE3-CG 3.83Å; W198-W201 HydrophobicContact CE3-CG 3.83Å; W198-W201 HydrophobicContact CE3-CZ3 4.28Å; W198-W201 HydrophobicContact CH2-CD2 4.41Å; W198-W201 HydrophobicContact CZ3-CB 4.48Å; W198-W201 AromaticContact CZ3-CD2 3.38Å; W198-W201 HydrophobicContact CZ3-CD2 3.38Å; W198-W201 AromaticContact CZ3-CE2 3.53Å; W198-W201 AromaticContact CZ3-CE3 3.6Å; W198-W201 HydrophobicContact CZ3-CE3 3.6Å; W198-W201 AromaticContact CZ3-CG 3.78Å; W198-W201 HydrophobicContact CZ3-CG 3.78Å; W198-W201 HydrophobicContact CZ3-CH2 4.19Å; W198-W201 AromaticContact CZ3-CZ2 3.98Å; W198-W201 HydrophobicContact CZ3-CZ2 3.98Å; W198-W201 AromaticContact CZ3-CZ3 3.99Å; W198-W201 HydrophobicContact CZ3-CZ3 3.99Å; W198-W201 AromaticContact CZ3-NE1 3.82Å; W198-W201 PolarHBondContact O-N 2.68Å; W201-D203 VanDerWaalsContact C-N 3.32Å; W201-D203 PolarHBondContact O-N 3.34Å; W201-K205 HydrophobicContact CG-CB 4.5Å; W201-K205 HydrophobicContact CZ2-CD 4.2Å; W201-K205 WeakPolarHBondContact O-CA 3.27Å; W201-K205 VanDerWaalsContact O-CB 3.31Å; W201-K205 WeakPolarHBondContact O-CB 3.48Å; W201-K205 PolarHBondContact O-N 3.04Å; W201-F206 HydrophobicContact CE3-CB 4.03Å; W201-F206 HydrophobicContact CH2-CB 3.85Å; W201-F206 AromaticContact CH2-CD2 3.81Å; W201-F206 HydrophobicContact CH2-CD2 3.81Å; W201-F206 HydrophobicContact CH2-CG 4.17Å; W201-F206 HydrophobicContact CZ3-CB 3.51Å; W201-F206 HydrophobicContact CZ3-CD2 4.06Å; W201-F206 AromaticContact CZ3-CG 3.98Å; W201-F206 HydrophobicContact CZ3-CG 3.98Å; W201-F206 PolarHBondContact O-N 3.18Å; W201-F206 VanDerWaalsContact O-N 3.15Å; W201-G278 VanDerWaalsContact CH2-O 3.27Å; W201-G278 WeakPolarHBondContact CH2-O 3.5Å; W201-E281 HydrophobicContact CZ2-CB 4.21Å; W201-E281 HydrophobicContact CZ2-CG 4.01Å; W201-E281 PolarHBondContact NE1-OE1 2.96Å; W201-W282 HydrophobicContact CE3-CE3 4.32Å; W201-W282 HydrophobicContact CH2-CB 4.31Å; W201-W282 HydrophobicContact CZ3-CB 4.42Å; W201-W282 HydrophobicContact CZ3-CE3 4.06Å; W201-M305 HydrophobicContact CZ3-SD 4.12Å
202	V	97.9	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-59.7	-45.2	175	170.6	0	0	0	0	110.4	K81 W198 R199 Q200 F206 V207 W282 A304 M305 A308	K81-V202 HydrophobicContact CD-CG1 4.03Å; W198-V202 WeakPolarHBondContact O-CG2 3.5Å; W198-V202 PolarHBondContact O-N 3.4Å; R199-V202 PolarHBondContact O-N 3.45Å; Q200-V202 VanDerWaalsContact C-N 3.3Å; Q200-V202 PolarHBondContact O-N 3.24Å; V202-F206 PolarHBondContact O-N 3.25Å; V202-V207 HydrophobicContact CG1-CG2 4.16Å; V202-V207 WeakPolarHBondContact O-CB 3.31Å; V202-V207 VanDerWaalsContact O-CG2 3.25Å; V202-V207 WeakPolarHBondContact O-CG2 3.5Å; V202-V207 PolarHBondContact O-N 3.28Å; V202-W282 HydrophobicContact CG2-CZ3 4.19Å; V202-A304 HydrophobicContact CG1-CB 4.43Å; V202-M305 HydrophobicContact CG2-CB 3.96Å; V202-M305 HydrophobicContact CG2-SD 4.01Å; V202-A308 HydrophobicContact CG1-CB 4.1Å
203	D	95.5	Very high	95.7	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	17%	0.174	C	C	.	.	I	π-helix	trans	-70	-47.9	-179.5	-82.5	-1.2	0	0	0	113.2	K81 S131 K175 Y176 R199 Q200 W201	K81-D203 WeakPolarHBondContact CE-OD1 3.27Å; K81-D203 IonicContact NZ-OD1 3.55Å; K81-D203 PolarHBondContact NZ-OD1 3.31Å; K81-D203 IonicContact NZ-OD2 3.57Å; S131-D203 PolarHBondContact OG-OD2 2.86Å; K175-D203 WeakPolarHBondContact CE-OD2 3.42Å; K175-D203 IonicContact NZ-OD2 3.47Å; K175-D203 PolarHBondContact NZ-OD2 3.47Å; Y176-D203 HydrophobicContact CE1-CB 4.45Å; Y176-D203 WeakPolarHBondContact CE1-OD2 3.39Å; Y176-D203 VanDerWaalsContact OH-CB 3.31Å; Y176-D203 WeakPolarHBondContact OH-CB 3.49Å; Y176-D203 PolarHBondContact OH-OD2 3.15Å; Y176-D203 VanDerWaalsContact OH-OD2 3.1Å; R199-D203 PolarHBondContact O-N 2.88Å; Q200-D203 PolarHBondContact O-N 3.16Å; Q200-D203 VanDerWaalsContact O-N 3.11Å; W201-D203 VanDerWaalsContact C-N 3.32Å; W201-D203 PolarHBondContact O-N 3.34Å
204	D	93.9	Very high	95.8	Very high	88 Å²	88	31.6 Å²	31.6	47%	0.471	15%	0.15	S	C	.	.	I	π-helix	trans	-86.4	-21.7	-168.7	-66.3	-7.8	0	0	0	112.5	Q200 H208	Q200-D204 WeakPolarHBondContact CG-OD2 3.47Å; Q200-D204 PolarHBondContact NE2-OD2 3.28Å; Q200-D204 WeakPolarHBondContact O-CB 3.41Å; Q200-D204 PolarHBondContact O-N 3.46Å; D204-H208 PolarHBondContact O-CD2 3.45Å
205	K	95.1	Very high	95.7	Very high	92 Å²	92	30 Å²	30	40%	0.4	14%	0.142	S	C	.	.	I	π-helix	trans	-123.6	-62.9	-177.3	-164.3	-179.5	178.2	179.9	0	112.6	W201 V207 H208 E281	W201-K205 HydrophobicContact CG-CB 4.5Å; W201-K205 HydrophobicContact CZ2-CD 4.2Å; W201-K205 WeakPolarHBondContact O-CA 3.27Å; W201-K205 VanDerWaalsContact O-CB 3.31Å; W201-K205 WeakPolarHBondContact O-CB 3.48Å; W201-K205 PolarHBondContact O-N 3.04Å; K205-V207 PolarHBondContact O-N 3.39Å; K205-H208 PolarHBondContact O-N 3.07Å; K205-E281 WeakPolarHBondContact CE-OE2 3.31Å; K205-E281 IonicContact NZ-OE1 3.07Å; K205-E281 PolarHBondContact NZ-OE1 2.85Å; K205-E281 IonicContact NZ-OE2 2.97Å; K205-E281 PolarHBondContact NZ-OE2 3.44Å
206	F	97.3	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-65	-46.4	-167.5	-173	-102.6	0	0	0	113.5	W201 V202 H208 L209 I210 L275 M305 A308 L309	W201-F206 HydrophobicContact CE3-CB 4.03Å; W201-F206 HydrophobicContact CH2-CB 3.85Å; W201-F206 AromaticContact CH2-CD2 3.81Å; W201-F206 HydrophobicContact CH2-CD2 3.81Å; W201-F206 HydrophobicContact CH2-CG 4.17Å; W201-F206 HydrophobicContact CZ3-CB 3.51Å; W201-F206 HydrophobicContact CZ3-CD2 4.06Å; W201-F206 AromaticContact CZ3-CG 3.98Å; W201-F206 HydrophobicContact CZ3-CG 3.98Å; W201-F206 PolarHBondContact O-N 3.18Å; W201-F206 VanDerWaalsContact O-N 3.15Å; V202-F206 PolarHBondContact O-N 3.25Å; F206-H208 PolarHBondContact O-N 3.13Å; F206-H208 VanDerWaalsContact O-N 3.11Å; F206-L209 HydrophobicContact CD2-CD1 4.06Å; F206-L209 VanDerWaalsContact O-CB 3.26Å; F206-L209 WeakPolarHBondContact O-CB 3.27Å; F206-L209 PolarHBondContact O-N 3.5Å; F206-I210 HydrophobicContact CD1-CD1 4.4Å; F206-I210 HydrophobicContact CE1-CD1 4.21Å; F206-I210 HydrophobicContact CE1-CG1 4.34Å; F206-L275 HydrophobicContact CE2-CD1 4.16Å; F206-L275 HydrophobicContact CZ-CD1 4.18Å; F206-M305 HydrophobicContact CB-SD 4.47Å; F206-M305 HydrophobicContact CD1-CE 3.83Å; F206-M305 HydrophobicContact CD1-SD 3.53Å; F206-M305 VanDerWaalsContact CD1-SD 3.53Å; F206-M305 HydrophobicContact CD2-CE 3.67Å; F206-M305 HydrophobicContact CD2-SD 4.17Å; F206-M305 HydrophobicContact CE1-CE 3.55Å; F206-M305 HydrophobicContact CE1-SD 3.72Å; F206-M305 HydrophobicContact CE2-CE 3.38Å; F206-M305 HydrophobicContact CE2-SD 4.35Å; F206-M305 HydrophobicContact CG-CE 3.9Å; F206-M305 HydrophobicContact CG-SD 3.78Å; F206-M305 HydrophobicContact CZ-CE 3.32Å; F206-M305 HydrophobicContact CZ-SD 4.14Å; F206-A308 HydrophobicContact CD1-CB 4.01Å; F206-A308 HydrophobicContact CE1-CB 4.13Å; F206-L309 HydrophobicContact CE1-CD2 4.1Å; F206-L309 HydrophobicContact CE1-CG 4.04Å; F206-L309 HydrophobicContact CZ-CD2 3.7Å; F206-L309 HydrophobicContact CZ-CG 4.05Å
207	V	95.7	Very high	95.5	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-30.3	-179.4	167.4	0	0	0	0	111.9	P77 F78 V202 K205 L209 I210 A308	P77-V207 HydrophobicContact CB-CG1 3.88Å; P77-V207 HydrophobicContact CB-CG2 4Å; P77-V207 HydrophobicContact CG-CG1 4.18Å; F78-V207 HydrophobicContact CD2-CG1 4.41Å; F78-V207 HydrophobicContact CE1-CG1 4.18Å; F78-V207 HydrophobicContact CE2-CG1 3.69Å; F78-V207 HydrophobicContact CZ-CB 4.34Å; F78-V207 HydrophobicContact CZ-CG1 3.56Å; V202-V207 HydrophobicContact CG1-CG2 4.16Å; V202-V207 WeakPolarHBondContact O-CB 3.31Å; V202-V207 VanDerWaalsContact O-CG2 3.25Å; V202-V207 WeakPolarHBondContact O-CG2 3.5Å; V202-V207 PolarHBondContact O-N 3.28Å; K205-V207 PolarHBondContact O-N 3.39Å; V207-L209 PolarHBondContact O-N 3.04Å; V207-I210 HydrophobicContact CG2-CD1 4.46Å; V207-I210 PolarHBondContact O-N 3.31Å; V207-A308 HydrophobicContact CG2-CB 4.15Å
208	H	93.8	Very high	95.2	Very high	47 Å²	47	31.3 Å²	31.3	22%	0.218	15%	0.149	C	C	.	.	H	α-helix	trans	-73.2	-13.2	177.6	-62.6	-28.7	0	0	0	114	D204 K205 F206 P212 Y265	D204-H208 PolarHBondContact O-CD2 3.45Å; K205-H208 PolarHBondContact O-N 3.07Å; F206-H208 PolarHBondContact O-N 3.13Å; F206-H208 VanDerWaalsContact O-N 3.11Å; H208-P212 VanDerWaalsContact O-CD 3.28Å; H208-P212 WeakPolarHBondContact O-CD 3.23Å; H208-Y265 HydrophobicContact CB-CD1 4.23Å; H208-Y265 HydrophobicContact CB-CD2 3.95Å; H208-Y265 HydrophobicContact CB-CE1 4.1Å; H208-Y265 HydrophobicContact CB-CE2 3.84Å; H208-Y265 HydrophobicContact CB-CG 4.17Å; H208-Y265 AromaticContact CD2-CE1 3.22Å; H208-Y265 WeakPolarHBondContact CD2-CE1 3.12Å; H208-Y265 AromaticContact CD2-CZ 3.29Å; H208-Y265 PolarHBondContact CD2-OH 2.92Å; H208-Y265 VanDerWaalsContact CD2-OH 3.31Å; H208-Y265 AromaticContact CE1-CZ 3.87Å; H208-Y265 PolarHBondContact CE1-OH 3.11Å; H208-Y265 AromaticContact CG-CE1 3.7Å; H208-Y265 AromaticContact CG-CE2 3.76Å; H208-Y265 AromaticContact CG-CZ 3.39Å; H208-Y265 AromaticContact ND1-CZ 3.76Å; H208-Y265 PolarHBondContact ND1-OH 3.08Å; H208-Y265 AromaticContact NE2-CE1 3.74Å; H208-Y265 AromaticContact NE2-CZ 3.54Å; H208-Y265 PolarHBondContact NE2-OH 3.32Å
209	L	96	Very high	95	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.068	18%	0.175	C	C	.	.	H	α-helix	trans	-81.4	-24.6	172.7	-53.6	176.2	0	0	0	112.6	F206 V207 N213 L267 S274 L275	F206-L209 HydrophobicContact CD2-CD1 4.06Å; F206-L209 VanDerWaalsContact O-CB 3.26Å; F206-L209 WeakPolarHBondContact O-CB 3.27Å; F206-L209 PolarHBondContact O-N 3.5Å; V207-L209 PolarHBondContact O-N 3.04Å; L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 2.67Å; L209-N213 PolarHBondContact O-ND2 2.9Å; L209-L267 HydrophobicContact CD2-CD1 4.45Å; L209-L267 HydrophobicContact CD2-CD2 3.56Å; L209-S274 WeakPolarHBondContact CD1-O 3.43Å; L209-L275 HydrophobicContact CB-CD1 4.22Å
210	I	95.3	Very high	94.9	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-58.7	-170.2	-60.6	174.9	0	0	0	111.2	P77 F206 V207 N213 V214 A308 F312	P77-I210 HydrophobicContact CB-CD1 3.8Å; P77-I210 HydrophobicContact CG-CB 4.47Å; P77-I210 HydrophobicContact CG-CD1 3.69Å; P77-I210 HydrophobicContact CG-CG2 4.25Å; F206-I210 HydrophobicContact CD1-CD1 4.4Å; F206-I210 HydrophobicContact CE1-CD1 4.21Å; F206-I210 HydrophobicContact CE1-CG1 4.34Å; V207-I210 HydrophobicContact CG2-CD1 4.46Å; V207-I210 PolarHBondContact O-N 3.31Å; I210-N213 CarbonylContact O-C 3.57Å; I210-N213 WeakPolarHBondContact O-CA 3.41Å; I210-N213 PolarHBondContact O-N 3.11Å; I210-V214 HydrophobicContact CG2-CG2 3.74Å; I210-V214 WeakPolarHBondContact O-CG2 3.32Å; I210-V214 PolarHBondContact O-N 3.14Å; I210-A308 HydrophobicContact CD1-CB 4.14Å; I210-A308 WeakPolarHBondContact CD1-O 3.5Å; I210-F312 HydrophobicContact CB-CE1 4.39Å; I210-F312 HydrophobicContact CD1-CD1 4.24Å; I210-F312 HydrophobicContact CD1-CE1 3.89Å; I210-F312 HydrophobicContact CG1-CD1 4.28Å; I210-F312 HydrophobicContact CG1-CE1 3.76Å; I210-F312 HydrophobicContact CG2-CD1 3.53Å; I210-F312 HydrophobicContact CG2-CE1 3.86Å; I210-F312 HydrophobicContact CG2-CG 4.15Å
211	S	93.5	Very high	94.7	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-45.8	-174.2	-71.5	0	0	0	0	113.5	N213 V214 Y215	S211-N213 PolarHBondContact O-N 2.98Å; S211-V214 PolarHBondContact O-N 3.48Å; S211-Y215 WeakPolarHBondContact O-CD2 3.45Å; S211-Y215 PolarHBondContact O-N 3.39Å
212	P	94.7	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.2	-31.6	171.9	-29.4	39.9	0	0	0	114.4	H208 R216 L261 Q262 L267 L271	H208-P212 VanDerWaalsContact O-CD 3.28Å; H208-P212 WeakPolarHBondContact O-CD 3.23Å; P212-R216 WeakPolarHBondContact O-CA 3.27Å; P212-L261 HydrophobicContact CG-CB 3.93Å; P212-Q262 HydrophobicContact CB-CB 4.43Å; P212-L267 HydrophobicContact CB-CD1 3.6Å; P212-L267 HydrophobicContact CG-CD1 3.63Å; P212-L271 HydrophobicContact CB-CD2 3.74Å
213	N	95.5	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-85.2	-45.3	179.1	-86.5	-75.1	0	0	0	113.6	L209 I210 S211 Y215 L271 R272 L275 A317	L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 2.67Å; L209-N213 PolarHBondContact O-ND2 2.9Å; I210-N213 CarbonylContact O-C 3.57Å; I210-N213 WeakPolarHBondContact O-CA 3.41Å; I210-N213 PolarHBondContact O-N 3.11Å; S211-N213 PolarHBondContact O-N 2.98Å; N213-Y215 VanDerWaalsContact C-N 3.31Å; N213-Y215 PolarHBondContact O-N 2.96Å; N213-L271 PolarHBondContact ND2-O 2.91Å; N213-L271 VanDerWaalsContact OD1-C 3.27Å; N213-L271 PolarHBondContact OD1-O 2.78Å; N213-R272 PolarHBondContact O-NH1 3.27Å; N213-R272 WeakPolarHBondContact OD1-CA 3.36Å; N213-R272 PolarHBondContact OD1-N 2.86Å; N213-R272 PolarHBondContact OD1-NH1 3.37Å; N213-L275 HydrophobicContact CB-CD2 4.08Å; N213-A317 HydrophobicContact CB-CB 4.33Å
214	V	94.9	Very high	94	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-35.8	-179.7	174.9	0	0	0	0	111.2	I210 S211 A224 F228 F312 C315 A317	I210-V214 HydrophobicContact CG2-CG2 3.74Å; I210-V214 WeakPolarHBondContact O-CG2 3.32Å; I210-V214 PolarHBondContact O-N 3.14Å; S211-V214 PolarHBondContact O-N 3.48Å; V214-A224 HydrophobicContact CG1-CB 3.59Å; V214-F228 HydrophobicContact CG1-CZ 4.3Å; V214-F312 HydrophobicContact CG2-CB 3.64Å; V214-F312 HydrophobicContact CG2-CD1 4.46Å; V214-F312 HydrophobicContact CG2-CD2 3.91Å; V214-F312 HydrophobicContact CG2-CG 3.76Å; V214-C315 HydrophobicContact CG1-CB 4.38Å; V214-A317 HydrophobicContact CG2-CB 4.25Å
215	Y	94.5	Very high	93.8	Very high	18 Å²	18	32.5 Å²	32.5	7%	0.071	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	39.8	-178.8	-42.5	-66.7	0	0	0	111.9	S211 N213 N217 A221 A224 F225 F228 M254 S258	S211-Y215 WeakPolarHBondContact O-CD2 3.45Å; S211-Y215 PolarHBondContact O-N 3.39Å; N213-Y215 VanDerWaalsContact C-N 3.31Å; N213-Y215 PolarHBondContact O-N 2.96Å; Y215-N217 VanDerWaalsContact C-N 3.34Å; Y215-N217 PolarHBondContact O-N 3.49Å; Y215-A221 HydrophobicContact CD1-CB 3.96Å; Y215-A224 HydrophobicContact CD1-CB 4.36Å; Y215-A224 HydrophobicContact CE1-CB 3.99Å; Y215-F225 HydrophobicContact CD1-CE2 4.27Å; Y215-F225 AromaticContact CE1-CD2 3.91Å; Y215-F225 HydrophobicContact CE1-CD2 3.91Å; Y215-F225 AromaticContact CE1-CE2 3.59Å; Y215-F225 HydrophobicContact CE1-CE2 3.59Å; Y215-F228 AromaticContact CE1-CE2 3.96Å; Y215-F228 HydrophobicContact CE1-CE2 3.96Å; Y215-F228 HydrophobicContact CE1-CZ 4.29Å; Y215-F228 WeakPolarHBondContact OH-CE2 3.17Å; Y215-F228 WeakPolarHBondContact OH-CZ 3.48Å; Y215-M254 HydrophobicContact CD1-CB 4.09Å; Y215-M254 HydrophobicContact CD2-CB 3.96Å; Y215-M254 HydrophobicContact CD2-CE 3.88Å; Y215-M254 HydrophobicContact CE1-CB 4.21Å; Y215-M254 HydrophobicContact CE2-CB 4.1Å; Y215-M254 HydrophobicContact CE2-CE 3.33Å; Y215-M254 HydrophobicContact CE2-CG 4.43Å; Y215-M254 HydrophobicContact CG-CB 3.98Å; Y215-S258 PolarHBondContact O-OG 3.45Å
216	R	92.2	Very high	93.6	Very high	65 Å²	65	35.2 Å²	35.2	25%	0.245	17%	0.166	C	C	.	.	S	Bend	trans	-62.1	-38.4	-173.6	177.4	171.1	66.1	161	-2.1	113.3	P212 E220 K259 L271 D320	P212-R216 WeakPolarHBondContact O-CA 3.27Å; R216-E220 WeakPolarHBondContact CB-OE2 3.37Å; R216-E220 IonicContact CZ-OE1 3.24Å; R216-E220 IonicContact NE-OE1 3.98Å; R216-E220 PolarHBondContact NE-OE1 3.44Å; R216-E220 IonicContact NE-OE2 3.96Å; R216-E220 IonicContact NH2-OE1 3.84Å; R216-E220 PolarHBondContact NH2-OE1 2.9Å; R216-E220 IonicContact NH2-OE2 3.52Å; R216-K259 WeakPolarHBondContact O-CE 3.48Å; R216-K259 PolarHBondContact O-NZ 3.38Å; R216-L271 HydrophobicContact CB-CD1 4.43Å; R216-L271 HydrophobicContact CG-CD1 3.74Å; R216-D320 IonicContact NH2-OD2 3.61Å
217	N	93	Very high	93.2	Very high	56 Å²	56	37.7 Å²	37.7	30%	0.299	18%	0.175	S	C	.	.	S	Bend	trans	-137.6	167	174.8	59.6	64.2	0	0	0	109.7	Y215 N219 E220 A221	Y215-N217 VanDerWaalsContact C-N 3.34Å; Y215-N217 PolarHBondContact O-N 3.49Å; N217-N219 VanDerWaalsContact C-N 3.3Å; N217-N219 PolarHBondContact O-N 3.32Å; N217-N219 PolarHBondContact OD1-N 3.14Å; N217-E220 VanDerWaalsContact ND2-CD 3.34Å; N217-E220 PolarHBondContact ND2-OE1 2.69Å; N217-E220 PolarHBondContact O-N 3.43Å; N217-E220 WeakPolarHBondContact OD1-CG 3.45Å; N217-E220 PolarHBondContact OD1-N 3.07Å; N217-A221 WeakPolarHBondContact O-CB 3.48Å; N217-A221 PolarHBondContact O-N 3.43Å
218	L	91.4	Very high	93	Very high	72 Å²	72	37.6 Å²	37.6	38%	0.377	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-36.6	-176.7	-75.8	171.2	0	0	0	112.8	A221 F222 F255	L218-A221 PolarHBondContact O-N 3.25Å; L218-F222 HydrophobicContact CB-CE2 4.2Å; L218-F222 WeakPolarHBondContact O-CD2 3.43Å; L218-F222 PolarHBondContact O-N 3.48Å; L218-F255 HydrophobicContact CD2-CB 3.87Å; L218-F255 HydrophobicContact CD2-CD1 3.56Å; L218-F255 HydrophobicContact CD2-CD2 4.37Å; L218-F255 HydrophobicContact CD2-CE1 4.19Å; L218-F255 HydrophobicContact CD2-CG 3.66Å; L218-F255 HydrophobicContact CG-CD1 3.98Å; L218-F255 HydrophobicContact CG-CD2 4.38Å; L218-F255 HydrophobicContact CG-CE1 4.13Å; L218-F255 HydrophobicContact CG-CG 4.1Å; L218-F255 HydrophobicContact CG-CZ 4.4Å
219	N	93.3	Very high	92.6	Very high	128 Å²	128	35.4 Å²	35.4	68%	0.684	16%	0.164	S	C	*	.	H	α-helix	trans	-64.3	-49.2	179.4	-69.4	-13.8	0	0	0	111.6	N217 A221 F222 E223	N217-N219 VanDerWaalsContact C-N 3.3Å; N217-N219 PolarHBondContact O-N 3.32Å; N217-N219 PolarHBondContact OD1-N 3.14Å; N219-A221 VanDerWaalsContact C-N 3.25Å; N219-A221 PolarHBondContact O-N 3.13Å; N219-F222 PolarHBondContact O-N 3.33Å; N219-E223 PolarHBondContact O-N 3.11Å
220	E	94.1	Very high	92.2	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-35.7	175.2	-72.4	176.3	-150.6	0	0	111.4	R216 N217 E223 A224 R272 K316	R216-E220 WeakPolarHBondContact CB-OE2 3.37Å; R216-E220 IonicContact CZ-OE1 3.24Å; R216-E220 IonicContact NE-OE1 3.98Å; R216-E220 PolarHBondContact NE-OE1 3.44Å; R216-E220 IonicContact NE-OE2 3.96Å; R216-E220 IonicContact NH2-OE1 3.84Å; R216-E220 PolarHBondContact NH2-OE1 2.9Å; R216-E220 IonicContact NH2-OE2 3.52Å; N217-E220 VanDerWaalsContact ND2-CD 3.34Å; N217-E220 PolarHBondContact ND2-OE1 2.69Å; N217-E220 PolarHBondContact O-N 3.43Å; N217-E220 WeakPolarHBondContact OD1-CG 3.45Å; N217-E220 PolarHBondContact OD1-N 3.07Å; E220-E223 PolarHBondContact O-N 3.42Å; E220-A224 WeakPolarHBondContact O-CB 3.22Å; E220-A224 PolarHBondContact O-N 3.24Å; E220-R272 IonicContact OE1-NH2 2.71Å; E220-R272 IonicContact OE2-CZ 3.99Å; E220-R272 IonicContact OE2-NH1 3.95Å; E220-R272 IonicContact OE2-NH2 3.81Å; E220-R272 PolarHBondContact OE2-NH2 2.84Å; E220-K316 HydrophobicContact CG-CD 4.28Å
221	A	93.3	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-43.3	177	0	0	0	0	0	112.8	Y215 N217 L218 N219 F225 A251 F255	Y215-A221 HydrophobicContact CD1-CB 3.96Å; N217-A221 WeakPolarHBondContact O-CB 3.48Å; N217-A221 PolarHBondContact O-N 3.43Å; L218-A221 PolarHBondContact O-N 3.25Å; N219-A221 VanDerWaalsContact C-N 3.25Å; N219-A221 PolarHBondContact O-N 3.13Å; A221-F225 WeakPolarHBondContact O-CD2 3.42Å; A221-F225 PolarHBondContact O-N 2.77Å; A221-F225 VanDerWaalsContact O-N 3.11Å; A221-A251 HydrophobicContact CB-CB 4.21Å; A221-F255 HydrophobicContact CB-CB 4.28Å
222	F	92	Very high	90.9	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.211	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-38.7	174.7	-69.6	-58.4	0	0	0	112.4	L218 N219 F225 R226 Y248 A251	L218-F222 HydrophobicContact CB-CE2 4.2Å; L218-F222 WeakPolarHBondContact O-CD2 3.43Å; L218-F222 PolarHBondContact O-N 3.48Å; N219-F222 PolarHBondContact O-N 3.33Å; F222-F225 PolarHBondContact O-N 3.46Å; F222-R226 WeakPolarHBondContact O-CG 3.4Å; F222-R226 PolarHBondContact O-N 3.23Å; F222-Y248 HydrophobicContact CD1-CD1 4.03Å; F222-Y248 AromaticContact CE1-CD1 3.77Å; F222-Y248 HydrophobicContact CE1-CD1 3.77Å; F222-A251 HydrophobicContact CD1-CB 3.5Å; F222-A251 HydrophobicContact CE1-CB 3.77Å; F222-A251 HydrophobicContact CG-CB 4.26Å
223	E	91.6	Very high	90.3	Very high	70 Å²	70	47 Å²	47	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-47.1	175.4	-172.3	-176.5	156.9	0	0	111	N219 E220 F225 R226 W227 R319	N219-E223 PolarHBondContact O-N 3.11Å; E220-E223 PolarHBondContact O-N 3.42Å; E223-F225 PolarHBondContact O-N 2.93Å; E223-R226 PolarHBondContact O-N 3.1Å; E223-W227 PolarHBondContact O-N 3.15Å; E223-R319 IonicContact OE1-CZ 3.26Å; E223-R319 IonicContact OE1-NH1 3.44Å; E223-R319 IonicContact OE1-NH2 3.67Å; E223-R319 PolarHBondContact OE1-NH2 3.03Å
224	A	92.4	Very high	89.7	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-49.6	176.6	0	0	0	0	0	111.3	V214 Y215 E220 R226 W227 F228	V214-A224 HydrophobicContact CG1-CB 3.59Å; Y215-A224 HydrophobicContact CD1-CB 4.36Å; Y215-A224 HydrophobicContact CE1-CB 3.99Å; E220-A224 WeakPolarHBondContact O-CB 3.22Å; E220-A224 PolarHBondContact O-N 3.24Å; A224-R226 VanDerWaalsContact C-N 3.3Å; A224-R226 PolarHBondContact O-N 3.02Å; A224-W227 PolarHBondContact O-N 3.26Å; A224-F228 HydrophobicContact CB-CE1 4.33Å; A224-F228 HydrophobicContact CB-CE2 4.1Å; A224-F228 HydrophobicContact CB-CZ 3.87Å; A224-F228 WeakPolarHBondContact O-CB 3.5Å; A224-F228 WeakPolarHBondContact O-CD1 3.34Å; A224-F228 WeakPolarHBondContact O-CD2 3.19Å; A224-F228 WeakPolarHBondContact O-CG 3.26Å; A224-F228 PolarHBondContact O-N 3.13Å
225	F	91.2	Very high	89.2	Confident	17 Å²	17	51.4 Å²	51.4	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-28.4	178.8	-90.5	-101.2	0	0	0	114.2	Y215 A221 F222 E223 F228 S229 W234 I246 I247 G250 A251 M254	Y215-F225 HydrophobicContact CD1-CE2 4.27Å; Y215-F225 AromaticContact CE1-CD2 3.91Å; Y215-F225 HydrophobicContact CE1-CD2 3.91Å; Y215-F225 AromaticContact CE1-CE2 3.59Å; Y215-F225 HydrophobicContact CE1-CE2 3.59Å; A221-F225 WeakPolarHBondContact O-CD2 3.42Å; A221-F225 PolarHBondContact O-N 2.77Å; A221-F225 VanDerWaalsContact O-N 3.11Å; F222-F225 PolarHBondContact O-N 3.46Å; E223-F225 PolarHBondContact O-N 2.93Å; F225-F228 HydrophobicContact CB-CD2 4.5Å; F225-F228 HydrophobicContact CD1-CD2 4.41Å; F225-F228 HydrophobicContact CD2-CD2 4.14Å; F225-F228 HydrophobicContact CD2-CE2 4.11Å; F225-F228 HydrophobicContact CE2-CD2 4.49Å; F225-F228 HydrophobicContact CE2-CE2 4.25Å; F225-F228 HydrophobicContact CG-CD2 4.11Å; F225-S229 PolarHBondContact O-N 2.83Å; F225-S229 VanDerWaalsContact O-N 3.12Å; F225-W234 HydrophobicContact CD1-CH2 4.4Å; F225-W234 HydrophobicContact CD1-CZ3 4.44Å; F225-I246 HydrophobicContact CD1-CG2 4.26Å; F225-I246 WeakPolarHBondContact CD1-O 3.42Å; F225-I246 HydrophobicContact CE1-CG2 4.14Å; F225-I246 VanDerWaalsContact CE1-O 3.31Å; F225-I246 WeakPolarHBondContact CE1-O 3.16Å; F225-I247 HydrophobicContact CB-CG2 4.39Å; F225-G250 WeakPolarHBondContact CZ-O 3.35Å; F225-A251 HydrophobicContact CB-CB 4.14Å; F225-A251 HydrophobicContact CD2-CB 3.68Å; F225-A251 HydrophobicContact CE2-CB 4.22Å; F225-A251 HydrophobicContact CG-CB 3.9Å; F225-M254 HydrophobicContact CE2-CB 3.88Å; F225-M254 HydrophobicContact CE2-CG 3.74Å; F225-M254 HydrophobicContact CZ-CB 4.23Å; F225-M254 HydrophobicContact CZ-CG 3.61Å
226	R	89.4	Confident	88.7	Confident	149 Å²	149	57.4 Å²	57.4	56%	0.562	27%	0.272	S	S	*	.	H	α-helix	trans	-68.7	-47.8	171.2	-77.2	175.9	179.5	172.3	0.1	111.3	F222 E223 A224 F228 S229 E230 I247	F222-R226 WeakPolarHBondContact O-CG 3.4Å; F222-R226 PolarHBondContact O-N 3.23Å; E223-R226 PolarHBondContact O-N 3.1Å; A224-R226 VanDerWaalsContact C-N 3.3Å; A224-R226 PolarHBondContact O-N 3.02Å; R226-F228 VanDerWaalsContact C-N 3.31Å; R226-F228 PolarHBondContact O-N 2.91Å; R226-S229 WeakPolarHBondContact O-CB 3.41Å; R226-S229 PolarHBondContact O-N 2.92Å; R226-S229 VanDerWaalsContact O-N 3.16Å; R226-E230 PolarHBondContact O-N 2.93Å; R226-I247 HydrophobicContact CG-CG2 4.29Å
227	W	90.4	Very high	88.2	Confident	51 Å²	51	57.9 Å²	57.9	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-44.9	175.5	178	68.5	0	0	0	111	N75 E223 A224 S229 E230 V231 G314	N75-W227 WeakPolarHBondContact OD1-CZ3 3.29Å; E223-W227 PolarHBondContact O-N 3.15Å; A224-W227 PolarHBondContact O-N 3.26Å; W227-S229 VanDerWaalsContact C-N 3.27Å; W227-S229 PolarHBondContact O-N 3.38Å; W227-E230 PolarHBondContact O-N 2.95Å; W227-V231 HydrophobicContact CD2-CG1 4.23Å; W227-V231 HydrophobicContact CD2-CG2 4.46Å; W227-V231 VanDerWaalsContact CE2-CG1 3.46Å; W227-V231 HydrophobicContact CG-CG1 4.43Å; W227-V231 HydrophobicContact CH2-CG2 4.39Å; W227-V231 HydrophobicContact CZ2-CG1 3.76Å; W227-V231 HydrophobicContact CZ2-CG2 4.21Å; W227-V231 WeakPolarHBondContact O-CG2 3.5Å; W227-V231 PolarHBondContact O-N 3.35Å; W227-G314 VanDerWaalsContact CE2-CA 3.45Å
228	F	89.7	Confident	87.8	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-54.2	-42.9	175	-65	-10.3	0	0	0	112.8	N75 V214 Y215 A224 F225 R226 E230 S232 W234	N75-F228 HydrophobicContact CB-CD1 3.46Å; N75-F228 VanDerWaalsContact CB-CD1 3.46Å; N75-F228 HydrophobicContact CB-CD2 4.07Å; N75-F228 HydrophobicContact CB-CE1 3.41Å; N75-F228 VanDerWaalsContact CB-CE1 3.41Å; N75-F228 HydrophobicContact CB-CE2 4.05Å; N75-F228 HydrophobicContact CB-CG 3.8Å; N75-F228 HydrophobicContact CB-CZ 3.73Å; N75-F228 VanDerWaalsContact CG-CE1 3.42Å; N75-F228 WeakPolarHBondContact ND2-CA 3.37Å; N75-F228 WeakPolarHBondContact ND2-CB 3.39Å; N75-F228 WeakPolarHBondContact ND2-CD1 3.43Å; N75-F228 WeakPolarHBondContact ND2-CG 3.39Å; N75-F228 WeakPolarHBondContact OD1-CD1 3.34Å; V214-F228 HydrophobicContact CG1-CZ 4.3Å; Y215-F228 AromaticContact CE1-CE2 3.96Å; Y215-F228 HydrophobicContact CE1-CE2 3.96Å; Y215-F228 HydrophobicContact CE1-CZ 4.29Å; Y215-F228 WeakPolarHBondContact OH-CE2 3.17Å; Y215-F228 WeakPolarHBondContact OH-CZ 3.48Å; A224-F228 HydrophobicContact CB-CE1 4.33Å; A224-F228 HydrophobicContact CB-CE2 4.1Å; A224-F228 HydrophobicContact CB-CZ 3.87Å; A224-F228 WeakPolarHBondContact O-CB 3.5Å; A224-F228 WeakPolarHBondContact O-CD1 3.34Å; A224-F228 WeakPolarHBondContact O-CD2 3.19Å; A224-F228 WeakPolarHBondContact O-CG 3.26Å; A224-F228 PolarHBondContact O-N 3.13Å; F225-F228 HydrophobicContact CB-CD2 4.5Å; F225-F228 HydrophobicContact CD1-CD2 4.41Å; F225-F228 HydrophobicContact CD2-CD2 4.14Å; F225-F228 HydrophobicContact CD2-CE2 4.11Å; F225-F228 HydrophobicContact CE2-CD2 4.49Å; F225-F228 HydrophobicContact CE2-CE2 4.25Å; F225-F228 HydrophobicContact CG-CD2 4.11Å; R226-F228 VanDerWaalsContact C-N 3.31Å; R226-F228 PolarHBondContact O-N 2.91Å; F228-E230 VanDerWaalsContact C-N 3.29Å; F228-E230 PolarHBondContact O-N 2.86Å; F228-S232 VanDerWaalsContact O-CB 3.23Å; F228-S232 WeakPolarHBondContact O-CB 3.38Å; F228-S232 PolarHBondContact O-N 3.41Å; F228-S232 PolarHBondContact O-OG 3.4Å; F228-W234 HydrophobicContact CB-CH2 3.73Å; F228-W234 HydrophobicContact CB-CZ2 4.1Å; F228-W234 HydrophobicContact CB-CZ3 4.21Å
229	S	87.2	Confident	87.6	Confident	1 Å²	1	58 Å²	58	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-31.3	177.6	177.5	0	0	0	0	113.3	F225 R226 W227 W234 R243	F225-S229 PolarHBondContact O-N 2.83Å; F225-S229 VanDerWaalsContact O-N 3.12Å; R226-S229 WeakPolarHBondContact O-CB 3.41Å; R226-S229 PolarHBondContact O-N 2.92Å; R226-S229 VanDerWaalsContact O-N 3.16Å; W227-S229 VanDerWaalsContact C-N 3.27Å; W227-S229 PolarHBondContact O-N 3.38Å; S229-W234 VanDerWaalsContact CA-CE3 3.43Å; S229-W234 PolarHBondContact O-N 3.28Å; S229-W234 VanDerWaalsContact O-N 3.13Å; S229-R243 PolarHBondContact OG-NE 3.1Å; S229-R243 PolarHBondContact OG-NH2 2.68Å
230	E	86.3	Confident	87.3	Confident	143 Å²	143	56.4 Å²	56.4	67%	0.668	28%	0.275	S	S	*	.	H	α-helix	trans	-80.9	-51.3	-176.6	-175.2	176.1	-172.9	0	0	111.2	R226 W227 F228 S232 D233	R226-E230 PolarHBondContact O-N 2.93Å; W227-E230 PolarHBondContact O-N 2.95Å; F228-E230 VanDerWaalsContact C-N 3.29Å; F228-E230 PolarHBondContact O-N 2.86Å; E230-S232 PolarHBondContact O-N 3.45Å; E230-D233 PolarHBondContact O-N 2.89Å
231	V	82.4	Confident	86.8	Confident	57 Å²	57	63.1 Å²	63.1	35%	0.345	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-19.8	-177.7	-60.8	0	0	0	0	114	W227	W227-V231 HydrophobicContact CD2-CG1 4.23Å; W227-V231 HydrophobicContact CD2-CG2 4.46Å; W227-V231 VanDerWaalsContact CE2-CG1 3.46Å; W227-V231 HydrophobicContact CG-CG1 4.43Å; W227-V231 HydrophobicContact CH2-CG2 4.39Å; W227-V231 HydrophobicContact CZ2-CG1 3.76Å; W227-V231 HydrophobicContact CZ2-CG2 4.21Å; W227-V231 WeakPolarHBondContact O-CG2 3.5Å; W227-V231 PolarHBondContact O-N 3.35Å
232	S	79.6	Confident	86.5	Confident	15 Å²	15	64.5 Å²	64.5	11%	0.105	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7.6	-177.3	-41.5	0	0	0	0	113	H74 F228 E230 W234	H74-S232 WeakPolarHBondContact CB-OG 3.39Å; H74-S232 VanDerWaalsContact CG-OG 3.26Å; F228-S232 VanDerWaalsContact O-CB 3.23Å; F228-S232 WeakPolarHBondContact O-CB 3.38Å; F228-S232 PolarHBondContact O-N 3.41Å; F228-S232 PolarHBondContact O-OG 3.4Å; E230-S232 PolarHBondContact O-N 3.45Å; S232-W234 VanDerWaalsContact CB-NE1 3.3Å; S232-W234 PolarHBondContact O-N 3.41Å; S232-W234 VanDerWaalsContact O-N 3.1Å
233	D	82.3	Confident	86.3	Confident	71 Å²	71	66.5 Å²	66.5	38%	0.38	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	41.8	-176.6	-77	-40	0	0	0	112.2	E230 D235 K236 V237	E230-D233 PolarHBondContact O-N 2.89Å; D233-D235 WeakPolarHBondContact CA-OD1 3.4Å; D233-D235 PolarHBondContact O-N 3.45Å; D233-K236 HydrophobicContact CB-CB 4.26Å; D233-K236 HydrophobicContact CB-CD 3.92Å; D233-K236 HydrophobicContact CB-CG 4.14Å; D233-K236 WeakPolarHBondContact O-CA 3.47Å; D233-K236 WeakPolarHBondContact O-CB 3.16Å; D233-K236 PolarHBondContact O-N 2.85Å; D233-K236 IonicContact OD1-NZ 3.68Å; D233-K236 PolarHBondContact OD1-NZ 2.75Å; D233-K236 IonicContact OD2-NZ 2.66Å; D233-K236 PolarHBondContact OD2-NZ 3.03Å; D233-V237 PolarHBondContact O-N 3.24Å
234	W	83.1	Confident	86	Confident	12 Å²	12	67.8 Å²	67.8	5%	0.045	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-19.2	-176.3	-77.8	-3.7	0	0	0	112.7	E97 F225 F228 S229 S232 K236 V237 F238 R243 I246 I247	E97-W234 PolarHBondContact OE1-NE1 3.03Å; F225-W234 HydrophobicContact CD1-CH2 4.4Å; F225-W234 HydrophobicContact CD1-CZ3 4.44Å; F228-W234 HydrophobicContact CB-CH2 3.73Å; F228-W234 HydrophobicContact CB-CZ2 4.1Å; F228-W234 HydrophobicContact CB-CZ3 4.21Å; S229-W234 VanDerWaalsContact CA-CE3 3.43Å; S229-W234 PolarHBondContact O-N 3.28Å; S229-W234 VanDerWaalsContact O-N 3.13Å; S232-W234 VanDerWaalsContact CB-NE1 3.3Å; S232-W234 PolarHBondContact O-N 3.41Å; S232-W234 VanDerWaalsContact O-N 3.1Å; W234-K236 VanDerWaalsContact C-N 3.27Å; W234-V237 PolarHBondContact O-N 2.97Å; W234-F238 HydrophobicContact CB-CD2 3.85Å; W234-F238 HydrophobicContact CB-CE2 4.35Å; W234-F238 AromaticContact CD1-CD2 3.9Å; W234-F238 AromaticContact CD1-CE2 3.51Å; W234-F238 HydrophobicContact CD2-CD2 4.07Å; W234-F238 AromaticContact CD2-CE2 3.87Å; W234-F238 HydrophobicContact CD2-CE2 3.87Å; W234-F238 AromaticContact CE2-CE2 3.91Å; W234-F238 AromaticContact CG-CD2 3.66Å; W234-F238 HydrophobicContact CG-CD2 3.66Å; W234-F238 AromaticContact CG-CE2 3.67Å; W234-F238 HydrophobicContact CG-CE2 3.67Å; W234-F238 AromaticContact NE1-CE2 3.64Å; W234-F238 WeakPolarHBondContact O-CB 3.28Å; W234-F238 PolarHBondContact O-N 3.14Å; W234-R243 HydrophobicContact CB-CG 4.34Å; W234-I246 HydrophobicContact CE3-CG2 4.15Å; W234-I246 HydrophobicContact CH2-CG2 3.65Å; W234-I246 HydrophobicContact CZ3-CB 4.37Å; W234-I246 HydrophobicContact CZ3-CG2 3.43Å; W234-I246 VanDerWaalsContact CZ3-CG2 3.43Å; W234-I247 HydrophobicContact CZ3-CG1 4.44Å
235	D	83.1	Confident	85.8	Confident	87 Å²	87	72.1 Å²	72.1	47%	0.465	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-25.8	169.4	64.2	-54.3	0	0	0	113.7	D233	D233-D235 WeakPolarHBondContact CA-OD1 3.4Å; D233-D235 PolarHBondContact O-N 3.45Å
236	K	84.9	Confident	85.5	Confident	144 Å²	144	71.4 Å²	71.4	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-91.1	-27	174.7	-56.3	-178.3	-173.2	131.6	0	112.6	D233 W234	D233-K236 HydrophobicContact CB-CB 4.26Å; D233-K236 HydrophobicContact CB-CD 3.92Å; D233-K236 HydrophobicContact CB-CG 4.14Å; D233-K236 WeakPolarHBondContact O-CA 3.47Å; D233-K236 WeakPolarHBondContact O-CB 3.16Å; D233-K236 PolarHBondContact O-N 2.85Å; D233-K236 IonicContact OD1-NZ 3.68Å; D233-K236 PolarHBondContact OD1-NZ 2.75Å; D233-K236 IonicContact OD2-NZ 2.66Å; D233-K236 PolarHBondContact OD2-NZ 3.03Å; W234-K236 VanDerWaalsContact C-N 3.27Å
237	V	82	Confident	85.4	Confident	75 Å²	75	64.9 Å²	64.9	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-97.6	-36.1	-172.4	-175.3	0	0	0	0	113.3	E97 D233 W234	E97-V237 HydrophobicContact CB-CG1 4.14Å; D233-V237 PolarHBondContact O-N 3.24Å; W234-V237 PolarHBondContact O-N 2.97Å
238	F	84.6	Confident	85.2	Confident	12 Å²	12	67.9 Å²	67.9	5%	0.053	33%	0.328	C	S	.	.	S	Bend	trans	-114.1	151.9	-175.9	-58.6	-42.4	0	0	0	112.1	E97 N99 W234 E242 R243 I246	E97-F238 HydrophobicContact CG-CE2 4.37Å; E97-F238 HydrophobicContact CG-CZ 3.83Å; N99-F238 HydrophobicContact CB-CD1 4.39Å; N99-F238 HydrophobicContact CB-CE1 3.79Å; N99-F238 HydrophobicContact CB-CZ 4.36Å; W234-F238 HydrophobicContact CB-CD2 3.85Å; W234-F238 HydrophobicContact CB-CE2 4.35Å; W234-F238 AromaticContact CD1-CD2 3.9Å; W234-F238 AromaticContact CD1-CE2 3.51Å; W234-F238 HydrophobicContact CD2-CD2 4.07Å; W234-F238 AromaticContact CD2-CE2 3.87Å; W234-F238 HydrophobicContact CD2-CE2 3.87Å; W234-F238 AromaticContact CE2-CE2 3.91Å; W234-F238 AromaticContact CG-CD2 3.66Å; W234-F238 HydrophobicContact CG-CD2 3.66Å; W234-F238 AromaticContact CG-CE2 3.67Å; W234-F238 HydrophobicContact CG-CE2 3.67Å; W234-F238 AromaticContact NE1-CE2 3.64Å; W234-F238 WeakPolarHBondContact O-CB 3.28Å; W234-F238 PolarHBondContact O-N 3.14Å; F238-E242 HydrophobicContact CB-CB 4.23Å; F238-R243 HydrophobicContact CB-CB 4.49Å; F238-I246 HydrophobicContact CD2-CD1 3.73Å; F238-I246 HydrophobicContact CE2-CD1 3.85Å; F238-I246 HydrophobicContact CG-CD1 4.29Å; F238-I246 HydrophobicContact CZ-CD1 4.49Å
239	Q	86.3	Confident	85.1	Confident	119 Å²	119	69.6 Å²	69.6	56%	0.556	34%	0.343	S	S	*	.			trans	-61.2	147.9	171.9	-70.6	-81.2	-18.6	0	0	110	W241 E242 R243	Q239-W241 PolarHBondContact O-N 2.78Å; Q239-W241 VanDerWaalsContact O-N 3.1Å; Q239-E242 HydrophobicContact CB-CB 4.4Å; Q239-E242 HydrophobicContact CB-CG 4.08Å; Q239-E242 PolarHBondContact N-OE2 3.42Å; Q239-E242 VanDerWaalsContact N-OE2 3.15Å; Q239-E242 WeakPolarHBondContact O-CB 3.27Å; Q239-E242 PolarHBondContact O-N 3.37Å; Q239-R243 PolarHBondContact O-N 2.98Å
240	P	86.4	Confident	85.1	Confident	94 Å²	94	70.3 Å²	70.3	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-52.5	-39	-177.6	-29.1	35	0	0	0	114.2	L244	P240-L244 WeakPolarHBondContact O-CG 3.23Å; P240-L244 PolarHBondContact O-N 3.19Å; P240-L244 VanDerWaalsContact O-N 3.08Å
241	W	85.1	Confident	85.2	Confident	153 Å²	153	63.5 Å²	63.5	58%	0.58	32%	0.319	S	S	*	.	H	α-helix	trans	-71.5	-38.5	178.1	76.7	-94.2	0	0	0	112.6	Q239 L244 M245	Q239-W241 PolarHBondContact O-N 2.78Å; Q239-W241 VanDerWaalsContact O-N 3.1Å; W241-L244 PolarHBondContact O-N 2.84Å; W241-M245 HydrophobicContact CE3-CG 4.06Å; W241-M245 HydrophobicContact CZ3-CG 4.35Å; W241-M245 WeakPolarHBondContact O-CB 2.81Å; W241-M245 WeakPolarHBondContact O-CG 3.45Å; W241-M245 PolarHBondContact O-N 3.43Å
242	E	86.8	Confident	85.6	Confident	29 Å²	29	63.2 Å²	63.2	14%	0.136	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-46.1	176	-67.7	-179.9	128.1	0	0	109.7	N99 F238 Q239 L244 M245 I246	N99-E242 PolarHBondContact ND2-OE1 3.45Å; F238-E242 HydrophobicContact CB-CB 4.23Å; Q239-E242 HydrophobicContact CB-CB 4.4Å; Q239-E242 HydrophobicContact CB-CG 4.08Å; Q239-E242 PolarHBondContact N-OE2 3.42Å; Q239-E242 VanDerWaalsContact N-OE2 3.15Å; Q239-E242 WeakPolarHBondContact O-CB 3.27Å; Q239-E242 PolarHBondContact O-N 3.37Å; E242-L244 PolarHBondContact O-N 3.24Å; E242-M245 PolarHBondContact O-N 3.08Å; E242-I246 WeakPolarHBondContact O-CB 3.24Å; E242-I246 WeakPolarHBondContact O-CG1 3.15Å; E242-I246 PolarHBondContact O-N 2.65Å
243	R	87.2	Confident	86.1	Confident	89 Å²	89	66.7 Å²	66.7	34%	0.336	34%	0.337	S	S	.	.	H	α-helix	trans	-55.5	-49.6	175.9	-179.5	-175.4	173.3	-157.6	3.3	111.4	S229 W234 F238 Q239 M245 I246 I247	S229-R243 PolarHBondContact OG-NE 3.1Å; S229-R243 PolarHBondContact OG-NH2 2.68Å; W234-R243 HydrophobicContact CB-CG 4.34Å; F238-R243 HydrophobicContact CB-CB 4.49Å; Q239-R243 PolarHBondContact O-N 2.98Å; R243-M245 PolarHBondContact O-N 2.89Å; R243-I246 PolarHBondContact O-N 2.88Å; R243-I247 HydrophobicContact CG-CD1 4.01Å; R243-I247 VanDerWaalsContact O-CG1 3.28Å; R243-I247 WeakPolarHBondContact O-CG1 3.22Å; R243-I247 PolarHBondContact O-N 2.74Å
244	L	86.4	Confident	86.5	Confident	97 Å²	97	65.5 Å²	65.5	51%	0.508	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-44.7	177.3	-72.8	170.4	0	0	0	111.7	P240 W241 E242 I246 I247 Y248	P240-L244 WeakPolarHBondContact O-CG 3.23Å; P240-L244 PolarHBondContact O-N 3.19Å; P240-L244 VanDerWaalsContact O-N 3.08Å; W241-L244 PolarHBondContact O-N 2.84Å; E242-L244 PolarHBondContact O-N 3.24Å; L244-I246 PolarHBondContact O-N 2.97Å; L244-I247 PolarHBondContact O-N 3.11Å; L244-Y248 HydrophobicContact CD2-CE2 3.99Å; L244-Y248 VanDerWaalsContact O-CD2 3.27Å; L244-Y248 WeakPolarHBondContact O-CD2 3.41Å; L244-Y248 PolarHBondContact O-N 3.49Å
245	M	87.1	Confident	87	Confident	93 Å²	93	66.5 Å²	66.5	46%	0.458	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-75.8	-61.3	-64.9	0	0	112.4	L101 W241 E242 R243 A249 G250	L101-M245 HydrophobicContact CD1-CB 4.05Å; W241-M245 HydrophobicContact CE3-CG 4.06Å; W241-M245 HydrophobicContact CZ3-CG 4.35Å; W241-M245 WeakPolarHBondContact O-CB 2.81Å; W241-M245 WeakPolarHBondContact O-CG 3.45Å; W241-M245 PolarHBondContact O-N 3.43Å; E242-M245 PolarHBondContact O-N 3.08Å; R243-M245 PolarHBondContact O-N 2.89Å; M245-A249 HydrophobicContact CE-CB 4.18Å; M245-A249 WeakPolarHBondContact O-CA 3.24Å; M245-A249 WeakPolarHBondContact O-CB 3.39Å; M245-A249 PolarHBondContact O-N 2.93Å; M245-G250 PolarHBondContact O-N 3.38Å
246	I	86.1	Confident	87.5	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	34%	0.338	C	S	.	.	I	π-helix	trans	-61.9	-45.3	177	-66.1	164.4	0	0	0	110.1	P100 L101 F225 W234 F238 E242 R243 L244 G250	P100-I246 HydrophobicContact CG-CD1 3.95Å; P100-I246 HydrophobicContact CG-CG1 3.89Å; P100-I246 HydrophobicContact CG-CG2 3.94Å; L101-I246 HydrophobicContact CD1-CG1 3.92Å; L101-I246 HydrophobicContact CD2-CG1 4.48Å; L101-I246 HydrophobicContact CG-CG1 3.91Å; F225-I246 HydrophobicContact CD1-CG2 4.26Å; F225-I246 WeakPolarHBondContact CD1-O 3.42Å; F225-I246 HydrophobicContact CE1-CG2 4.14Å; F225-I246 VanDerWaalsContact CE1-O 3.31Å; F225-I246 WeakPolarHBondContact CE1-O 3.16Å; W234-I246 HydrophobicContact CE3-CG2 4.15Å; W234-I246 HydrophobicContact CH2-CG2 3.65Å; W234-I246 HydrophobicContact CZ3-CB 4.37Å; W234-I246 HydrophobicContact CZ3-CG2 3.43Å; W234-I246 VanDerWaalsContact CZ3-CG2 3.43Å; F238-I246 HydrophobicContact CD2-CD1 3.73Å; F238-I246 HydrophobicContact CE2-CD1 3.85Å; F238-I246 HydrophobicContact CG-CD1 4.29Å; F238-I246 HydrophobicContact CZ-CD1 4.49Å; E242-I246 WeakPolarHBondContact O-CB 3.24Å; E242-I246 WeakPolarHBondContact O-CG1 3.15Å; E242-I246 PolarHBondContact O-N 2.65Å; R243-I246 PolarHBondContact O-N 2.88Å; L244-I246 PolarHBondContact O-N 2.97Å; I246-G250 WeakPolarHBondContact O-CA 3.35Å; I246-G250 PolarHBondContact O-N 3.21Å
247	I	85.5	Confident	87.8	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.062	32%	0.321	C	S	.	.	I	π-helix	trans	-61.4	-52.7	179.6	-68.4	166.7	0	0	0	110.9	F225 R226 W234 R243 L244 A251	F225-I247 HydrophobicContact CB-CG2 4.39Å; R226-I247 HydrophobicContact CG-CG2 4.29Å; W234-I247 HydrophobicContact CZ3-CG1 4.44Å; R243-I247 HydrophobicContact CG-CD1 4.01Å; R243-I247 VanDerWaalsContact O-CG1 3.28Å; R243-I247 WeakPolarHBondContact O-CG1 3.22Å; R243-I247 PolarHBondContact O-N 2.74Å; L244-I247 PolarHBondContact O-N 3.11Å; I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.78Å
248	Y	87	Confident	88.3	Confident	115 Å²	115	59.9 Å²	59.9	45%	0.451	30%	0.3	S	S	.	.	I	π-helix	trans	-85.3	-49.5	-170.3	-69.9	-74	0	0	0	113.9	F222 L244 T252	F222-Y248 HydrophobicContact CD1-CD1 4.03Å; F222-Y248 AromaticContact CE1-CD1 3.77Å; F222-Y248 HydrophobicContact CE1-CD1 3.77Å; L244-Y248 HydrophobicContact CD2-CE2 3.99Å; L244-Y248 VanDerWaalsContact O-CD2 3.27Å; L244-Y248 WeakPolarHBondContact O-CD2 3.41Å; L244-Y248 PolarHBondContact O-N 3.49Å; Y248-T252 PolarHBondContact O-N 3.26Å; Y248-T252 PolarHBondContact O-OG1 3.32Å
249	A	87	Confident	88.6	Confident	41 Å²	41	63.1 Å²	63.1	34%	0.339	31%	0.314	S	S	.	.	I	π-helix	trans	-73.9	-39.7	179.4	0	0	0	0	0	110.9	M245 T252 V253	M245-A249 HydrophobicContact CE-CB 4.18Å; M245-A249 WeakPolarHBondContact O-CA 3.24Å; M245-A249 WeakPolarHBondContact O-CB 3.39Å; M245-A249 PolarHBondContact O-N 2.93Å; A249-T252 PolarHBondContact O-N 2.86Å; A249-V253 WeakPolarHBondContact O-CG2 3.1Å; A249-V253 PolarHBondContact O-N 3.35Å
250	G	87.1	Confident	88.9	Confident	17 Å²	17	66.1 Å²	66.1	18%	0.175	32%	0.32	C	S	.	.	I	π-helix	trans	-61.8	-46.1	177	0	0	0	0	0	112.7	F225 M245 I246 T252 V253 M254	F225-G250 WeakPolarHBondContact CZ-O 3.35Å; M245-G250 PolarHBondContact O-N 3.38Å; I246-G250 WeakPolarHBondContact O-CA 3.35Å; I246-G250 PolarHBondContact O-N 3.21Å; G250-T252 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 2.98Å; G250-V253 PolarHBondContact O-N 3.49Å; G250-M254 WeakPolarHBondContact O-CB 3.48Å; G250-M254 WeakPolarHBondContact O-CG 3.36Å; G250-M254 PolarHBondContact O-N 2.83Å
251	A	89.3	Confident	89.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-44	175.2	0	0	0	0	0	112.4	A221 F222 F225 I247 M254 F255	A221-A251 HydrophobicContact CB-CB 4.21Å; F222-A251 HydrophobicContact CD1-CB 3.5Å; F222-A251 HydrophobicContact CE1-CB 3.77Å; F222-A251 HydrophobicContact CG-CB 4.26Å; F225-A251 HydrophobicContact CB-CB 4.14Å; F225-A251 HydrophobicContact CD2-CB 3.68Å; F225-A251 HydrophobicContact CE2-CB 4.22Å; F225-A251 HydrophobicContact CG-CB 3.9Å; I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.78Å; A251-M254 PolarHBondContact O-N 3.06Å; A251-F255 WeakPolarHBondContact O-CB 3.09Å; A251-F255 PolarHBondContact O-N 2.81Å
252	T	89.9	Confident	89.4	Confident	50 Å²	50	58.3 Å²	58.3	31%	0.307	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-45.5	179	-55.6	0	0	0	0	111.5	Y248 A249 G250 F255 F256	Y248-T252 PolarHBondContact O-N 3.26Å; Y248-T252 PolarHBondContact O-OG1 3.32Å; A249-T252 PolarHBondContact O-N 2.86Å; G250-T252 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 2.98Å; T252-F255 WeakPolarHBondContact O-CB 3.31Å; T252-F255 PolarHBondContact O-N 3.17Å; T252-F256 HydrophobicContact CG2-CD2 4.18Å; T252-F256 HydrophobicContact CG2-CE2 3.83Å; T252-F256 WeakPolarHBondContact O-CD2 3.48Å; T252-F256 PolarHBondContact O-N 2.66Å
253	V	90.8	Very high	89.6	Confident	88 Å²	88	65 Å²	65	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176	169.7	0	0	0	0	110.7	A249 G250 F255 F256 V257	A249-V253 WeakPolarHBondContact O-CG2 3.1Å; A249-V253 PolarHBondContact O-N 3.35Å; G250-V253 PolarHBondContact O-N 3.49Å; V253-F255 VanDerWaalsContact C-N 3.31Å; V253-F255 PolarHBondContact O-N 3.34Å; V253-F256 PolarHBondContact O-N 2.79Å; V253-V257 HydrophobicContact CG1-CG2 4.22Å; V253-V257 WeakPolarHBondContact O-CG2 3.15Å; V253-V257 PolarHBondContact O-N 3.22Å
254	M	91.6	Very high	89.8	Confident	47 Å²	47	67.6 Å²	67.6	23%	0.232	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-34	-179.7	-73.9	-55.3	-66.6	0	0	112.5	Y215 F225 G250 A251 V257 S258	Y215-M254 HydrophobicContact CD1-CB 4.09Å; Y215-M254 HydrophobicContact CD2-CB 3.96Å; Y215-M254 HydrophobicContact CD2-CE 3.88Å; Y215-M254 HydrophobicContact CE1-CB 4.21Å; Y215-M254 HydrophobicContact CE2-CB 4.1Å; Y215-M254 HydrophobicContact CE2-CE 3.33Å; Y215-M254 HydrophobicContact CE2-CG 4.43Å; Y215-M254 HydrophobicContact CG-CB 3.98Å; F225-M254 HydrophobicContact CE2-CB 3.88Å; F225-M254 HydrophobicContact CE2-CG 3.74Å; F225-M254 HydrophobicContact CZ-CB 4.23Å; F225-M254 HydrophobicContact CZ-CG 3.61Å; G250-M254 WeakPolarHBondContact O-CB 3.48Å; G250-M254 WeakPolarHBondContact O-CG 3.36Å; G250-M254 PolarHBondContact O-N 2.83Å; A251-M254 PolarHBondContact O-N 3.06Å; M254-V257 PolarHBondContact O-N 3.45Å; M254-S258 VanDerWaalsContact O-CB 3.28Å; M254-S258 WeakPolarHBondContact O-CB 3.27Å; M254-S258 PolarHBondContact O-N 2.84Å
255	F	92.3	Very high	89.9	Confident	33 Å²	33	66.3 Å²	66.3	15%	0.145	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-46.7	170.6	167.8	-103.2	0	0	0	112.2	L218 A221 A251 T252 V253 S258 K259	L218-F255 HydrophobicContact CD2-CB 3.87Å; L218-F255 HydrophobicContact CD2-CD1 3.56Å; L218-F255 HydrophobicContact CD2-CD2 4.37Å; L218-F255 HydrophobicContact CD2-CE1 4.19Å; L218-F255 HydrophobicContact CD2-CG 3.66Å; L218-F255 HydrophobicContact CG-CD1 3.98Å; L218-F255 HydrophobicContact CG-CD2 4.38Å; L218-F255 HydrophobicContact CG-CE1 4.13Å; L218-F255 HydrophobicContact CG-CG 4.1Å; L218-F255 HydrophobicContact CG-CZ 4.4Å; A221-F255 HydrophobicContact CB-CB 4.28Å; A251-F255 WeakPolarHBondContact O-CB 3.09Å; A251-F255 PolarHBondContact O-N 2.81Å; T252-F255 WeakPolarHBondContact O-CB 3.31Å; T252-F255 PolarHBondContact O-N 3.17Å; V253-F255 VanDerWaalsContact C-N 3.31Å; V253-F255 PolarHBondContact O-N 3.34Å; F255-S258 WeakPolarHBondContact O-CB 3.3Å; F255-S258 PolarHBondContact O-N 2.85Å; F255-S258 PolarHBondContact O-OG 2.99Å; F255-K259 VanDerWaalsContact CE2-CE 3.42Å; F255-K259 HydrophobicContact CE2-CG 4.46Å; F255-K259 HydrophobicContact CZ-CG 4.42Å; F255-K259 PolarHBondContact O-N 3.23Å
256	F	93.4	Very high	90	Very high	120 Å²	120	68.9 Å²	68.9	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-69.4	-35.9	177	-72.7	-67.6	0	0	0	112.8	T252 V253 S258 K259 R260	T252-F256 HydrophobicContact CG2-CD2 4.18Å; T252-F256 HydrophobicContact CG2-CE2 3.83Å; T252-F256 WeakPolarHBondContact O-CD2 3.48Å; T252-F256 PolarHBondContact O-N 2.66Å; V253-F256 PolarHBondContact O-N 2.79Å; F256-S258 VanDerWaalsContact C-N 3.31Å; F256-K259 PolarHBondContact O-N 3.02Å; F256-R260 WeakPolarHBondContact O-CG 3.5Å; F256-R260 PolarHBondContact O-N 3.46Å
257	V	91.5	Very high	90.1	Very high	46 Å²	46	70.1 Å²	70.1	28%	0.279	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-41.7	172.2	170.6	0	0	0	0	110.2	V253 M254 K259 R260 L261	V253-V257 HydrophobicContact CG1-CG2 4.22Å; V253-V257 WeakPolarHBondContact O-CG2 3.15Å; V253-V257 PolarHBondContact O-N 3.22Å; M254-V257 PolarHBondContact O-N 3.45Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.1Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 2.94Å; V257-R260 VanDerWaalsContact O-N 3.09Å; V257-L261 HydrophobicContact CG1-CD1 3.73Å; V257-L261 HydrophobicContact CG1-CG 4.06Å; V257-L261 VanDerWaalsContact O-CG 3.31Å; V257-L261 WeakPolarHBondContact O-CG 3.43Å; V257-L261 PolarHBondContact O-N 2.76Å
258	S	92.6	Very high	90.1	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-42	179.3	92.1	0	0	0	0	111.7	Y215 M254 F255 F256 R260 L261 Q262	Y215-S258 PolarHBondContact O-OG 3.45Å; M254-S258 VanDerWaalsContact O-CB 3.28Å; M254-S258 WeakPolarHBondContact O-CB 3.27Å; M254-S258 PolarHBondContact O-N 2.84Å; F255-S258 WeakPolarHBondContact O-CB 3.3Å; F255-S258 PolarHBondContact O-N 2.85Å; F255-S258 PolarHBondContact O-OG 2.99Å; F256-S258 VanDerWaalsContact C-N 3.31Å; S258-R260 PolarHBondContact O-N 2.8Å; S258-L261 PolarHBondContact O-N 3.17Å; S258-Q262 WeakPolarHBondContact O-CB 3.3Å; S258-Q262 PolarHBondContact O-N 3.37Å
259	K	92.4	Very high	89.8	Confident	79 Å²	79	73.9 Å²	73.9	34%	0.343	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-37.7	174.4	-61.6	-60.2	172.1	-169.7	0	113.1	R216 F255 F256 V257 K263	R216-K259 WeakPolarHBondContact O-CE 3.48Å; R216-K259 PolarHBondContact O-NZ 3.38Å; F255-K259 VanDerWaalsContact CE2-CE 3.42Å; F255-K259 HydrophobicContact CE2-CG 4.46Å; F255-K259 HydrophobicContact CZ-CG 4.42Å; F255-K259 PolarHBondContact O-N 3.23Å; F256-K259 PolarHBondContact O-N 3.02Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.1Å; K259-K263 PolarHBondContact O-N 3.38Å
260	R	92	Very high	89.8	Confident	183 Å²	183	75 Å²	75	69%	0.691	37%	0.37	S	S	*	.	H	α-helix	trans	-67.6	-41.6	174.7	-69.6	177	-177.9	171.3	2	111.7	F256 V257 S258 K263 K264	F256-R260 WeakPolarHBondContact O-CG 3.5Å; F256-R260 PolarHBondContact O-N 3.46Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 2.94Å; V257-R260 VanDerWaalsContact O-N 3.09Å; S258-R260 PolarHBondContact O-N 2.8Å; R260-K263 PolarHBondContact O-N 3.41Å; R260-K264 WeakPolarHBondContact O-CB 3.4Å; R260-K264 PolarHBondContact O-N 2.74Å
261	L	90.9	Very high	89.9	Confident	43 Å²	43	74.5 Å²	74.5	23%	0.225	36%	0.364	C	S	.	.	H	α-helix	trans	-67	-41	177.2	-65.7	172.8	0	0	0	111.1	P212 V257 S258 K263 K264 Y265	P212-L261 HydrophobicContact CG-CB 3.93Å; V257-L261 HydrophobicContact CG1-CD1 3.73Å; V257-L261 HydrophobicContact CG1-CG 4.06Å; V257-L261 VanDerWaalsContact O-CG 3.31Å; V257-L261 WeakPolarHBondContact O-CG 3.43Å; V257-L261 PolarHBondContact O-N 2.76Å; S258-L261 PolarHBondContact O-N 3.17Å; L261-K263 PolarHBondContact O-N 3.16Å; L261-K264 PolarHBondContact O-N 2.92Å; L261-K264 VanDerWaalsContact O-N 3.12Å; L261-Y265 HydrophobicContact CB-CD2 4.32Å; L261-Y265 HydrophobicContact CB-CE2 4.44Å; L261-Y265 HydrophobicContact CD2-CE2 3.83Å; L261-Y265 VanDerWaalsContact O-CD2 3.27Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.45Å
262	Q	90.6	Very high	90.1	Very high	39 Å²	39	74.8 Å²	74.8	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-52.5	-45.1	173.1	179.8	177.4	11	0	0	111.4	P212 S258 N266 L267 L271	P212-Q262 HydrophobicContact CB-CB 4.43Å; S258-Q262 WeakPolarHBondContact O-CB 3.3Å; S258-Q262 PolarHBondContact O-N 3.37Å; Q262-N266 PolarHBondContact O-N 3.4Å; Q262-L267 HydrophobicContact CG-CB 4.19Å; Q262-L267 PolarHBondContact O-N 3.46Å; Q262-L267 VanDerWaalsContact O-N 3.09Å; Q262-L271 HydrophobicContact CB-CD2 4.36Å; Q262-L271 HydrophobicContact CG-CD2 3.8Å
263	K	90.5	Very high	90.2	Very high	170 Å²	170	76.2 Å²	76.2	74%	0.739	37%	0.368	S	S	*	.	H	α-helix	trans	-71.2	-41.9	175.9	-169.4	176.8	-176	178.8	0	112.8	K259 R260 L261 Y265 N266	K259-K263 PolarHBondContact O-N 3.38Å; R260-K263 PolarHBondContact O-N 3.41Å; L261-K263 PolarHBondContact O-N 3.16Å; K263-Y265 VanDerWaalsContact C-N 3.3Å; K263-Y265 PolarHBondContact O-N 2.98Å; K263-N266 PolarHBondContact O-N 3.4Å; K263-N266 PolarHBondContact O-OD1 2.99Å
264	K	91.6	Very high	90.4	Very high	143 Å²	143	72.5 Å²	72.5	62%	0.622	35%	0.346	S	S	*	.	H	α-helix	trans	-59.6	-41.1	-179.2	-176.8	-176	175.7	-165.1	0	111.9	R260 L261	R260-K264 WeakPolarHBondContact O-CB 3.4Å; R260-K264 PolarHBondContact O-N 2.74Å; L261-K264 PolarHBondContact O-N 2.92Å; L261-K264 VanDerWaalsContact O-N 3.12Å
265	Y	89.5	Confident	90.5	Very high	71 Å²	71	70.3 Å²	70.3	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	12.2	-176.6	-62.6	-72.5	0	0	0	113.4	H208 L261 K263 L267	H208-Y265 HydrophobicContact CB-CD1 4.23Å; H208-Y265 HydrophobicContact CB-CD2 3.95Å; H208-Y265 HydrophobicContact CB-CE1 4.1Å; H208-Y265 HydrophobicContact CB-CE2 3.84Å; H208-Y265 HydrophobicContact CB-CG 4.17Å; H208-Y265 AromaticContact CD2-CE1 3.22Å; H208-Y265 WeakPolarHBondContact CD2-CE1 3.12Å; H208-Y265 AromaticContact CD2-CZ 3.29Å; H208-Y265 PolarHBondContact CD2-OH 2.92Å; H208-Y265 VanDerWaalsContact CD2-OH 3.31Å; H208-Y265 AromaticContact CE1-CZ 3.87Å; H208-Y265 PolarHBondContact CE1-OH 3.11Å; H208-Y265 AromaticContact CG-CE1 3.7Å; H208-Y265 AromaticContact CG-CE2 3.76Å; H208-Y265 AromaticContact CG-CZ 3.39Å; H208-Y265 AromaticContact ND1-CZ 3.76Å; H208-Y265 PolarHBondContact ND1-OH 3.08Å; H208-Y265 AromaticContact NE2-CE1 3.74Å; H208-Y265 AromaticContact NE2-CZ 3.54Å; H208-Y265 PolarHBondContact NE2-OH 3.32Å; L261-Y265 HydrophobicContact CB-CD2 4.32Å; L261-Y265 HydrophobicContact CB-CE2 4.44Å; L261-Y265 HydrophobicContact CD2-CE2 3.83Å; L261-Y265 VanDerWaalsContact O-CD2 3.27Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.45Å; K263-Y265 VanDerWaalsContact C-N 3.3Å; K263-Y265 PolarHBondContact O-N 2.98Å; Y265-L267 PolarHBondContact O-N 3.32Å; Y265-L267 VanDerWaalsContact O-N 3.16Å
266	N	88.8	Confident	90.7	Very high	146 Å²	146	70.4 Å²	70.4	78%	0.781	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	44	178.6	-65.3	-37.4	0	0	0	113.7	Q262 K263	Q262-N266 PolarHBondContact O-N 3.4Å; K263-N266 PolarHBondContact O-N 3.4Å; K263-N266 PolarHBondContact O-OD1 2.99Å
267	L	88	Confident	90.8	Very high	28 Å²	28	68.9 Å²	68.9	15%	0.147	33%	0.329	C	S	.	.			trans	-70.5	154.8	-178.6	-54.3	-177.2	0	0	0	111.2	L209 P212 Q262 Y265 L271	L209-L267 HydrophobicContact CD2-CD1 4.45Å; L209-L267 HydrophobicContact CD2-CD2 3.56Å; P212-L267 HydrophobicContact CB-CD1 3.6Å; P212-L267 HydrophobicContact CG-CD1 3.63Å; Q262-L267 HydrophobicContact CG-CB 4.19Å; Q262-L267 PolarHBondContact O-N 3.46Å; Q262-L267 VanDerWaalsContact O-N 3.09Å; Y265-L267 PolarHBondContact O-N 3.32Å; Y265-L267 VanDerWaalsContact O-N 3.16Å; L267-L271 HydrophobicContact CB-CD2 4.21Å; L267-L271 HydrophobicContact CD1-CD2 4.03Å
268	K	86	Confident	91	Very high	82 Å²	82	66.8 Å²	66.8	36%	0.357	32%	0.318	S	S	.	.			trans	-59.3	159.3	-179	-66.3	-177	171.9	-170.4	0	112.5	E273 S274 E277	K268-E273 HydrophobicContact CD-CB 4.33Å; K268-S274 WeakPolarHBondContact CB-OG 3.37Å; K268-S274 WeakPolarHBondContact CG-OG 3.24Å; K268-S274 PolarHBondContact N-OG 3.47Å; K268-E277 WeakPolarHBondContact CE-OE2 3.32Å; K268-E277 IonicContact NZ-OE1 2.55Å; K268-E277 PolarHBondContact NZ-OE1 3.12Å; K268-E277 IonicContact NZ-OE2 3.08Å; K268-E277 PolarHBondContact NZ-OE2 3.01Å; K268-E277 VanDerWaalsContact NZ-OE2 3.08Å
269	S	79.7	Confident	91.2	Very high	124 Å²	124	66.8 Å²	66.8	87%	0.867	32%	0.317	S	S	*	.	S	Bend	trans	-59.8	-46.6	173.3	53.3	0	0	0	0	111.1	L271	S269-L271 PolarHBondContact O-N 3.02Å
270	N	87.6	Confident	91.4	Very high	64 Å²	64	66.6 Å²	66.6	34%	0.342	32%	0.32	S	S	.	.	S	Bend	trans	-80.3	90.8	166	-169.4	-3.8	0	0	0	110.2	R272 E273	N270-R272 PolarHBondContact O-N 3.33Å; N270-R272 VanDerWaalsContact O-N 3.11Å; N270-R272 PolarHBondContact OD1-N 3.33Å; N270-E273 HydrophobicContact CB-CB 4.43Å; N270-E273 HydrophobicContact CB-CG 4.1Å; N270-E273 PolarHBondContact ND2-OE1 3.23Å; N270-E273 WeakPolarHBondContact O-CB 3.2Å; N270-E273 PolarHBondContact O-N 3.13Å; N270-E273 VanDerWaalsContact O-N 3.12Å
271	L	88.6	Confident	91.7	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-53.1	-33.2	-177.6	-84.7	160.6	0	0	0	114.6	P212 N213 R216 Q262 L267 S269 S274	P212-L271 HydrophobicContact CB-CD2 3.74Å; N213-L271 PolarHBondContact ND2-O 2.91Å; N213-L271 VanDerWaalsContact OD1-C 3.27Å; N213-L271 PolarHBondContact OD1-O 2.78Å; R216-L271 HydrophobicContact CB-CD1 4.43Å; R216-L271 HydrophobicContact CG-CD1 3.74Å; Q262-L271 HydrophobicContact CB-CD2 4.36Å; Q262-L271 HydrophobicContact CG-CD2 3.8Å; L267-L271 HydrophobicContact CB-CD2 4.21Å; L267-L271 HydrophobicContact CD1-CD2 4.03Å; S269-L271 PolarHBondContact O-N 3.02Å; L271-S274 PolarHBondContact O-N 3.04Å
272	R	94	Very high	92	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-35.9	-178.3	-74.5	-69.4	-174.1	-88.4	-1.5	112.2	N213 E220 N270 S274 L275 Y276 D320	N213-R272 PolarHBondContact O-NH1 3.27Å; N213-R272 WeakPolarHBondContact OD1-CA 3.36Å; N213-R272 PolarHBondContact OD1-N 2.86Å; N213-R272 PolarHBondContact OD1-NH1 3.37Å; E220-R272 IonicContact OE1-NH2 2.71Å; E220-R272 IonicContact OE2-CZ 3.99Å; E220-R272 IonicContact OE2-NH1 3.95Å; E220-R272 IonicContact OE2-NH2 3.81Å; E220-R272 PolarHBondContact OE2-NH2 2.84Å; N270-R272 PolarHBondContact O-N 3.33Å; N270-R272 VanDerWaalsContact O-N 3.11Å; N270-R272 PolarHBondContact OD1-N 3.33Å; R272-S274 VanDerWaalsContact C-N 3.29Å; R272-S274 PolarHBondContact O-N 2.89Å; R272-L275 WeakPolarHBondContact O-CB 3.4Å; R272-L275 PolarHBondContact O-N 3.15Å; R272-Y276 HydrophobicContact CB-CE1 4.18Å; R272-Y276 HydrophobicContact CB-CE2 4.09Å; R272-Y276 VanDerWaalsContact O-CD1 3.25Å; R272-Y276 WeakPolarHBondContact O-CD1 3.29Å; R272-Y276 PolarHBondContact O-N 3.44Å; R272-D320 IonicContact CZ-OD2 3.23Å; R272-D320 IonicContact NE-OD2 2.75Å; R272-D320 PolarHBondContact NE-OD2 2.99Å; R272-D320 IonicContact NH2-OD2 2.88Å; R272-D320 PolarHBondContact NH2-OD2 2.9Å
273	E	92.7	Very high	92.4	Very high	81 Å²	81	58.9 Å²	58.9	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-42.2	175.9	-75.8	170.3	-155.4	0	0	111.4	K268 N270 L275 Y276 E277	K268-E273 HydrophobicContact CD-CB 4.33Å; N270-E273 HydrophobicContact CB-CB 4.43Å; N270-E273 HydrophobicContact CB-CG 4.1Å; N270-E273 PolarHBondContact ND2-OE1 3.23Å; N270-E273 WeakPolarHBondContact O-CB 3.2Å; N270-E273 PolarHBondContact O-N 3.13Å; N270-E273 VanDerWaalsContact O-N 3.12Å; E273-L275 PolarHBondContact O-N 2.71Å; E273-Y276 PolarHBondContact O-N 3.2Å; E273-Y276 VanDerWaalsContact O-N 3.11Å; E273-E277 WeakPolarHBondContact O-CB 3.31Å; E273-E277 WeakPolarHBondContact O-CG 3.31Å; E273-E277 PolarHBondContact O-N 3.26Å
274	S	93.5	Very high	92.7	Very high	10 Å²	10	58.4 Å²	58.4	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-33.6	176.3	-62.2	0	0	0	0	112.7	L209 K268 L271 R272 G278	L209-S274 WeakPolarHBondContact CD1-O 3.43Å; K268-S274 WeakPolarHBondContact CB-OG 3.37Å; K268-S274 WeakPolarHBondContact CG-OG 3.24Å; K268-S274 PolarHBondContact N-OG 3.47Å; L271-S274 PolarHBondContact O-N 3.04Å; R272-S274 VanDerWaalsContact C-N 3.29Å; R272-S274 PolarHBondContact O-N 2.89Å; S274-G278 PolarHBondContact O-N 2.91Å; S274-G278 VanDerWaalsContact O-N 3.16Å
275	L	95.2	Very high	92.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.8	-42.6	174.5	-175.1	63.6	0	0	0	111.2	F206 L209 N213 R272 E273 G278 C279 F312 A317 L321	F206-L275 HydrophobicContact CE2-CD1 4.16Å; F206-L275 HydrophobicContact CZ-CD1 4.18Å; L209-L275 HydrophobicContact CB-CD1 4.22Å; N213-L275 HydrophobicContact CB-CD2 4.08Å; R272-L275 WeakPolarHBondContact O-CB 3.4Å; R272-L275 PolarHBondContact O-N 3.15Å; E273-L275 PolarHBondContact O-N 2.71Å; L275-G278 PolarHBondContact O-N 2.89Å; L275-C279 PolarHBondContact O-N 3.31Å; L275-F312 HydrophobicContact CD1-CZ 4.47Å; L275-F312 HydrophobicContact CD2-CE2 4.44Å; L275-A317 HydrophobicContact CD2-CB 4.49Å; L275-L321 HydrophobicContact CD2-CB 4.28Å; L275-L321 HydrophobicContact CG-CD1 4.32Å
276	Y	96.4	Very high	93.2	Very high	35 Å²	35	49.7 Å²	49.7	14%	0.137	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-41.3	178.4	-54.7	-17.5	0	0	0	111.4	R272 E273 C279 N280 D320 L321 N324 T325	R272-Y276 HydrophobicContact CB-CE1 4.18Å; R272-Y276 HydrophobicContact CB-CE2 4.09Å; R272-Y276 VanDerWaalsContact O-CD1 3.25Å; R272-Y276 WeakPolarHBondContact O-CD1 3.29Å; R272-Y276 PolarHBondContact O-N 3.44Å; E273-Y276 PolarHBondContact O-N 3.2Å; E273-Y276 VanDerWaalsContact O-N 3.11Å; Y276-C279 PolarHBondContact O-N 3.04Å; Y276-N280 WeakPolarHBondContact O-CB 3.49Å; Y276-N280 VanDerWaalsContact O-CG 3.25Å; Y276-N280 PolarHBondContact O-N 3.27Å; Y276-N280 PolarHBondContact O-ND2 2.99Å; Y276-D320 PolarHBondContact OH-O 2.74Å; Y276-L321 HydrophobicContact CD1-CD1 3.99Å; Y276-L321 HydrophobicContact CE1-CB 4.4Å; Y276-N324 HydrophobicContact CD1-CB 4.33Å; Y276-N324 HydrophobicContact CD2-CB 3.9Å; Y276-N324 HydrophobicContact CE1-CB 4Å; Y276-N324 HydrophobicContact CE2-CB 3.47Å; Y276-N324 VanDerWaalsContact CE2-CB 3.47Å; Y276-N324 HydrophobicContact CG-CB 4.3Å; Y276-N324 PolarHBondContact OH-ND2 3.23Å; Y276-T325 HydrophobicContact CD1-CG2 4.06Å; Y276-T325 HydrophobicContact CG-CG2 4.08Å
277	E	95	Very high	93.4	Very high	88 Å²	88	44.1 Å²	44.1	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-44.8	174.4	-74.4	177.9	154.7	0	0	111.7	K268 E273 C279 N280 E281	K268-E277 WeakPolarHBondContact CE-OE2 3.32Å; K268-E277 IonicContact NZ-OE1 2.55Å; K268-E277 PolarHBondContact NZ-OE1 3.12Å; K268-E277 IonicContact NZ-OE2 3.08Å; K268-E277 PolarHBondContact NZ-OE2 3.01Å; K268-E277 VanDerWaalsContact NZ-OE2 3.08Å; E273-E277 WeakPolarHBondContact O-CB 3.31Å; E273-E277 WeakPolarHBondContact O-CG 3.31Å; E273-E277 PolarHBondContact O-N 3.26Å; E277-C279 VanDerWaalsContact C-N 3.34Å; E277-C279 PolarHBondContact O-N 2.93Å; E277-N280 PolarHBondContact O-N 2.76Å; E277-E281 VanDerWaalsContact O-CB 3.26Å; E277-E281 WeakPolarHBondContact O-CB 2.88Å; E277-E281 PolarHBondContact O-N 3.26Å
278	G	95.6	Very high	93.6	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-44	174.1	0	0	0	0	0	112.5	W201 S274 L275 W282	W201-G278 VanDerWaalsContact CH2-O 3.27Å; W201-G278 WeakPolarHBondContact CH2-O 3.5Å; S274-G278 PolarHBondContact O-N 2.91Å; S274-G278 VanDerWaalsContact O-N 3.16Å; L275-G278 PolarHBondContact O-N 2.89Å; G278-W282 PolarHBondContact O-N 2.58Å; G278-W282 VanDerWaalsContact O-N 3.1Å
279	C	97.1	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-35.4	177.7	-71.9	0	0	0	0	113.4	L275 Y276 E277 W282 L283 L321 T325 I327	L275-C279 PolarHBondContact O-N 3.31Å; Y276-C279 PolarHBondContact O-N 3.04Å; E277-C279 VanDerWaalsContact C-N 3.34Å; E277-C279 PolarHBondContact O-N 2.93Å; C279-W282 PolarHBondContact O-N 3.27Å; C279-L283 VanDerWaalsContact O-CG 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.24Å; C279-L283 PolarHBondContact O-N 3.38Å; C279-L321 HydrophobicContact CB-CD1 3.69Å; C279-L321 WeakPolarHBondContact SG-CD1 3.42Å; C279-T325 HydrophobicContact CB-CG2 4.38Å; C279-I327 HydrophobicContact CB-CB 4.28Å; C279-I327 HydrophobicContact CB-CD1 4.46Å; C279-I327 HydrophobicContact CB-CG1 4.31Å
280	N	96.9	Very high	94.4	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-70.1	-39.1	176.2	-70.8	-23.9	0	0	0	111.5	Y276 E277 W282 L283 E284	Y276-N280 WeakPolarHBondContact O-CB 3.49Å; Y276-N280 VanDerWaalsContact O-CG 3.25Å; Y276-N280 PolarHBondContact O-N 3.27Å; Y276-N280 PolarHBondContact O-ND2 2.99Å; E277-N280 PolarHBondContact O-N 2.76Å; N280-W282 VanDerWaalsContact C-N 3.31Å; N280-W282 PolarHBondContact O-N 2.59Å; N280-L283 PolarHBondContact O-N 3.47Å; N280-E284 WeakPolarHBondContact O-CB 3.47Å; N280-E284 PolarHBondContact O-N 3.47Å
281	E	97.7	Very high	94.7	Very high	59 Å²	59	49.1 Å²	49.1	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-39.5	173.7	-176.8	176.5	164.8	0	0	111.3	W198 W201 K205 E277 A285	W198-E281 HydrophobicContact CH2-CG 4.08Å; W201-E281 HydrophobicContact CZ2-CB 4.21Å; W201-E281 HydrophobicContact CZ2-CG 4.01Å; W201-E281 PolarHBondContact NE1-OE1 2.96Å; K205-E281 WeakPolarHBondContact CE-OE2 3.31Å; K205-E281 IonicContact NZ-OE1 3.07Å; K205-E281 PolarHBondContact NZ-OE1 2.85Å; K205-E281 IonicContact NZ-OE2 2.97Å; K205-E281 PolarHBondContact NZ-OE2 3.44Å; E277-E281 VanDerWaalsContact O-CB 3.26Å; E277-E281 WeakPolarHBondContact O-CB 2.88Å; E277-E281 PolarHBondContact O-N 3.26Å; E281-A285 PolarHBondContact O-N 2.83Å; E281-A285 VanDerWaalsContact O-N 3.12Å
282	W	97.8	Very high	95	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-46.2	171.9	176.3	-96.6	0	0	0	112.9	W198 W201 V202 G278 C279 N280 E284 A285 I286 L293 A301 M305 W330	W198-W282 HydrophobicContact CB-CZ3 3.95Å; W198-W282 HydrophobicContact CD2-CE3 4.28Å; W198-W282 HydrophobicContact CD2-CZ3 4.12Å; W198-W282 AromaticContact CE3-CE3 3.5Å; W198-W282 HydrophobicContact CE3-CE3 3.5Å; W198-W282 VanDerWaalsContact CE3-CE3 3.5Å; W198-W282 AromaticContact CE3-CZ3 3.67Å; W198-W282 HydrophobicContact CE3-CZ3 3.67Å; W198-W282 HydrophobicContact CG-CZ3 4.24Å; W198-W282 AromaticContact CZ3-CE3 3.95Å; W198-W282 HydrophobicContact CZ3-CE3 3.95Å; W201-W282 HydrophobicContact CE3-CE3 4.32Å; W201-W282 HydrophobicContact CH2-CB 4.31Å; W201-W282 HydrophobicContact CZ3-CB 4.42Å; W201-W282 HydrophobicContact CZ3-CE3 4.06Å; V202-W282 HydrophobicContact CG2-CZ3 4.19Å; G278-W282 PolarHBondContact O-N 2.58Å; G278-W282 VanDerWaalsContact O-N 3.1Å; C279-W282 PolarHBondContact O-N 3.27Å; N280-W282 VanDerWaalsContact C-N 3.31Å; N280-W282 PolarHBondContact O-N 2.59Å; W282-E284 VanDerWaalsContact C-N 3.32Å; W282-E284 PolarHBondContact O-N 2.91Å; W282-A285 VanDerWaalsContact O-CB 3.32Å; W282-A285 WeakPolarHBondContact O-CB 3.49Å; W282-A285 PolarHBondContact O-N 3.02Å; W282-I286 HydrophobicContact CZ2-CD1 4.31Å; W282-I286 PolarHBondContact O-N 2.91Å; W282-L293 HydrophobicContact CH2-CB 4.45Å; W282-L293 HydrophobicContact CH2-CD2 4.14Å; W282-L293 HydrophobicContact CZ2-CB 4.42Å; W282-A301 HydrophobicContact CH2-CB 3.94Å; W282-A301 WeakPolarHBondContact CH2-O 3.02Å; W282-A301 HydrophobicContact CZ3-CB 4.47Å; W282-M305 HydrophobicContact CB-CE 4.08Å; W282-M305 HydrophobicContact CD2-CB 4.05Å; W282-M305 HydrophobicContact CD2-CE 4.43Å; W282-M305 HydrophobicContact CD2-CG 3.59Å; W282-M305 HydrophobicContact CD2-SD 4.23Å; W282-M305 HydrophobicContact CE3-CB 4.1Å; W282-M305 HydrophobicContact CE3-CG 3.97Å; W282-M305 HydrophobicContact CE3-SD 4.27Å; W282-M305 HydrophobicContact CG-CE 4.01Å; W282-M305 HydrophobicContact CG-CG 3.98Å; W282-M305 HydrophobicContact CG-SD 4.41Å; W282-M305 HydrophobicContact CH2-CB 3.76Å; W282-M305 HydrophobicContact CH2-CG 4.4Å; W282-M305 HydrophobicContact CZ2-CB 3.69Å; W282-M305 HydrophobicContact CZ2-CG 4.05Å; W282-M305 HydrophobicContact CZ3-CB 3.93Å; W282-M305 HydrophobicContact CZ3-CG 4.32Å; W282-W330 AromaticContact CE2-CZ2 3.72Å; W282-W330 HydrophobicContact CZ2-CH2 4.28Å; W282-W330 AromaticContact CZ2-CZ2 3.66Å; W282-W330 HydrophobicContact CZ2-CZ2 3.66Å; W282-W330 AromaticContact NE1-CD2 3.77Å; W282-W330 AromaticContact NE1-CE2 3.37Å; W282-W330 AromaticContact NE1-CH2 3.62Å; W282-W330 AromaticContact NE1-CZ2 3.28Å; W282-W330 VanDerWaalsContact NE1-CZ2 3.28Å; W282-W330 AromaticContact NE1-CZ3 3.99Å; W282-W330 AromaticContact NE1-NE1 3.92Å
283	L	97.2	Very high	95.1	Very high	43 Å²	43	49 Å²	49	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-36.1	178.5	-71.8	169.5	0	0	0	112.3	C279 N280 A285 I286 G287 K326 I327 W330	C279-L283 VanDerWaalsContact O-CG 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.24Å; C279-L283 PolarHBondContact O-N 3.38Å; N280-L283 PolarHBondContact O-N 3.47Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-I286 PolarHBondContact O-N 2.73Å; L283-G287 PolarHBondContact O-N 3.47Å; L283-K326 HydrophobicContact CD1-CB 4.17Å; L283-I327 HydrophobicContact CD1-CB 4.24Å; L283-I327 HydrophobicContact CD1-CD1 4.2Å; L283-I327 HydrophobicContact CD2-CD1 3.77Å; L283-I327 HydrophobicContact CG-CD1 3.77Å; L283-W330 HydrophobicContact CD2-CB 4.26Å
284	E	97	Very high	95.1	Very high	160 Å²	160	46.6 Å²	46.6	75%	0.748	26%	0.26	S	S	*	.	H	α-helix	trans	-63.5	-38.8	174.9	-173.4	171.1	-168.2	0	0	111.2	N280 W282 G287	N280-E284 WeakPolarHBondContact O-CB 3.47Å; N280-E284 PolarHBondContact O-N 3.47Å; W282-E284 VanDerWaalsContact C-N 3.32Å; W282-E284 PolarHBondContact O-N 2.91Å; E284-G287 PolarHBondContact O-N 2.82Å
285	A	96.6	Very high	95	Very high	21 Å²	21	47.1 Å²	47.1	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-39.4	175.1	0	0	0	0	0	114.1	W198 E281 W282 L283 G287 R290 L293	W198-A285 HydrophobicContact CD2-CB 4.08Å; W198-A285 HydrophobicContact CE3-CB 4.43Å; W198-A285 HydrophobicContact CH2-CB 3.45Å; W198-A285 VanDerWaalsContact CH2-CB 3.45Å; W198-A285 HydrophobicContact CZ2-CB 3.03Å; W198-A285 HydrophobicContact CZ3-CB 4.13Å; E281-A285 PolarHBondContact O-N 2.83Å; E281-A285 VanDerWaalsContact O-N 3.12Å; W282-A285 VanDerWaalsContact O-CB 3.32Å; W282-A285 WeakPolarHBondContact O-CB 3.49Å; W282-A285 PolarHBondContact O-N 3.02Å; L283-A285 VanDerWaalsContact C-N 3.31Å; A285-G287 VanDerWaalsContact C-N 3.32Å; A285-R290 PolarHBondContact O-NH2 3.26Å; A285-L293 HydrophobicContact CB-CD1 4.21Å
286	I	96.5	Very high	94.7	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-44	173.9	-65.4	169.2	0	0	0	109.5	W282 L283 R290 L293 W330	W282-I286 HydrophobicContact CZ2-CD1 4.31Å; W282-I286 PolarHBondContact O-N 2.91Å; L283-I286 PolarHBondContact O-N 2.73Å; I286-R290 HydrophobicContact CG2-CG 4.07Å; I286-R290 WeakPolarHBondContact CG2-O 3.47Å; I286-R290 WeakPolarHBondContact O-CG 3.43Å; I286-R290 PolarHBondContact O-NE 3.3Å; I286-L293 HydrophobicContact CG1-CB 4.24Å; I286-L293 HydrophobicContact CG1-CD1 4.3Å; I286-W330 VanDerWaalsContact CD1-CD1 3.41Å; I286-W330 HydrophobicContact CD1-CD2 4.33Å; I286-W330 HydrophobicContact CD1-CG 4.04Å; I286-W330 VanDerWaalsContact CD1-NE1 3.3Å
287	G	93	Very high	94.3	Very high	29 Å²	29	58.3 Å²	58.3	30%	0.299	32%	0.32	S	S	.	.			trans	73	178.7	-176.4	0	0	0	0	0	113.2	L283 E284 A285	L283-G287 PolarHBondContact O-N 3.47Å; E284-G287 PolarHBondContact O-N 2.82Å; A285-G287 VanDerWaalsContact C-N 3.32Å
288	P	91.1	Very high	94.3	Very high	128 Å²	128	54.4 Å²	54.4	83%	0.831	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14	-174.2	31.4	-35.4	0	0	0	114.5
289	N	90.5	Very high	94.2	Very high	152 Å²	152	55.1 Å²	55.1	81%	0.813	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.5	-165.5	-64.5	-25.6	0	0	0	114.3
290	R	93.5	Very high	94.2	Very high	65 Å²	65	55.4 Å²	55.4	25%	0.245	31%	0.307	C	S	.	.			trans	-139.9	142.7	-177.2	53.2	-176.1	179.6	-177.1	-7.9	110.2	E194 A285 I286 F292 L293	E194-R290 IonicContact OE1-CZ 2.73Å; E194-R290 IonicContact OE1-NH1 3.45Å; E194-R290 IonicContact OE1-NH2 3.56Å; E194-R290 PolarHBondContact OE1-NH2 2.78Å; E194-R290 IonicContact OE2-CZ 2.73Å; E194-R290 IonicContact OE2-NH1 2.61Å; E194-R290 PolarHBondContact OE2-NH1 2.83Å; E194-R290 IonicContact OE2-NH2 3.85Å; E194-R290 PolarHBondContact OE2-NH2 2.82Å; A285-R290 PolarHBondContact O-NH2 3.26Å; I286-R290 HydrophobicContact CG2-CG 4.07Å; I286-R290 WeakPolarHBondContact CG2-O 3.47Å; I286-R290 WeakPolarHBondContact O-CG 3.43Å; I286-R290 PolarHBondContact O-NE 3.3Å; R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 WeakPolarHBondContact CB-O 3.4Å; R290-F292 WeakPolarHBondContact CD-O 3.22Å; R290-F292 WeakPolarHBondContact CG-O 3.16Å; R290-L293 PolarHBondContact NH1-O 3.39Å
291	P	92.2	Very high	94.2	Very high	58 Å²	58	51.8 Å²	51.8	38%	0.377	29%	0.287	S	S	.	.	S	Bend	trans	-70.8	-26.4	176.9	26.5	-33.4	0	0	0	113	G295	P291-G295 WeakPolarHBondContact CD-O 3.37Å; P291-G295 VanDerWaalsContact CG-O 3.28Å; P291-G295 WeakPolarHBondContact CG-O 3.41Å
292	F	96.6	Very high	94.2	Very high	10 Å²	10	49 Å²	49	4%	0.044	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-134.6	160.8	-178.8	-50.3	-69.7	0	0	0	110.6	R290 G294 G295 Q296 P298 W330 A333 V334 Q337	R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 WeakPolarHBondContact CB-O 3.4Å; R290-F292 WeakPolarHBondContact CD-O 3.22Å; R290-F292 WeakPolarHBondContact CG-O 3.16Å; F292-G294 PolarHBondContact O-N 3.35Å; F292-G295 PolarHBondContact N-O 3.36Å; F292-G295 VanDerWaalsContact N-O 3.17Å; F292-G295 PolarHBondContact O-N 3.35Å; F292-Q296 WeakPolarHBondContact CD2-O 3.41Å; F292-Q296 WeakPolarHBondContact CE2-O 3.36Å; F292-P298 HydrophobicContact CD1-CG 3.95Å; F292-P298 HydrophobicContact CD2-CG 4.2Å; F292-P298 HydrophobicContact CE1-CG 3.98Å; F292-P298 HydrophobicContact CE2-CG 4.23Å; F292-P298 HydrophobicContact CG-CG 4.05Å; F292-P298 HydrophobicContact CZ-CG 4.12Å; F292-W330 AromaticContact CD1-NE1 3.95Å; F292-A333 HydrophobicContact CE1-CB 3.78Å; F292-A333 HydrophobicContact CZ-CB 3.97Å; F292-V334 HydrophobicContact CD1-CG2 3.67Å; F292-V334 HydrophobicContact CE1-CG2 3.61Å; F292-Q337 HydrophobicContact CE2-CG 4.45Å; F292-Q337 HydrophobicContact CZ-CG 3.96Å
293	L	95.4	Very high	94.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.3	172.5	-164.9	80.8	0	0	0	110.3	E194 W198 W282 A285 I286 R290 G295 A301 D302	E194-L293 HydrophobicContact CG-CD1 4.47Å; E194-L293 HydrophobicContact CG-CD2 4.4Å; W198-L293 HydrophobicContact CB-CD2 3.7Å; W198-L293 HydrophobicContact CG-CD2 3.79Å; W282-L293 HydrophobicContact CH2-CB 4.45Å; W282-L293 HydrophobicContact CH2-CD2 4.14Å; W282-L293 HydrophobicContact CZ2-CB 4.42Å; A285-L293 HydrophobicContact CB-CD1 4.21Å; I286-L293 HydrophobicContact CG1-CB 4.24Å; I286-L293 HydrophobicContact CG1-CD1 4.3Å; R290-L293 PolarHBondContact NH1-O 3.39Å; L293-G295 PolarHBondContact O-N 2.83Å; L293-G295 VanDerWaalsContact O-N 3.13Å; L293-A301 HydrophobicContact CD2-CB 3.61Å; L293-D302 WeakPolarHBondContact CB-OD2 3.26Å; L293-D302 PolarHBondContact N-OD1 3.03Å; L293-D302 PolarHBondContact N-OD2 3.23Å; L293-D302 VanDerWaalsContact N-OD2 3.13Å
294	G	92.3	Very high	94.2	Very high	30 Å²	30	47.1 Å²	47.1	31%	0.309	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	1.4	172.6	0	0	0	0	0	116.7	F292 Q297 N299 D302	F292-G294 PolarHBondContact O-N 3.35Å; G294-Q297 CarbonylContact C-O 3.46Å; G294-Q297 VanDerWaalsContact C-O 3.29Å; G294-Q297 VanDerWaalsContact CA-O 3.31Å; G294-Q297 WeakPolarHBondContact CA-O 3.16Å; G294-N299 PolarHBondContact N-ND2 3.31Å; G294-D302 PolarHBondContact N-OD2 2.84Å
295	G	91.3	Very high	94.3	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	93.1	-120.5	-175.2	0	0	0	0	0	111.2	P291 F292 L293	P291-G295 WeakPolarHBondContact CD-O 3.37Å; P291-G295 VanDerWaalsContact CG-O 3.28Å; P291-G295 WeakPolarHBondContact CG-O 3.41Å; F292-G295 PolarHBondContact N-O 3.36Å; F292-G295 VanDerWaalsContact N-O 3.17Å; F292-G295 PolarHBondContact O-N 3.35Å; L293-G295 PolarHBondContact O-N 2.83Å; L293-G295 VanDerWaalsContact O-N 3.13Å
296	Q	88.6	Confident	94.3	Very high	149 Å²	149	38.8 Å²	38.8	70%	0.696	22%	0.223	S	C	*	.	S	Bend	trans	-80.4	-15.8	-179.3	-63.6	-58.9	-42	0	0	113.7	F292	F292-Q296 WeakPolarHBondContact CD2-O 3.41Å; F292-Q296 WeakPolarHBondContact CE2-O 3.36Å
297	Q	89.2	Confident	94.3	Very high	121 Å²	121	38.2 Å²	38.2	57%	0.565	22%	0.22	S	C	*	.	S	Bend	trans	-128.7	148.9	176.8	-67.3	-178.6	-3.6	0	0	110	G294 N299	G294-Q297 CarbonylContact C-O 3.46Å; G294-Q297 VanDerWaalsContact C-O 3.29Å; G294-Q297 VanDerWaalsContact CA-O 3.31Å; G294-Q297 WeakPolarHBondContact CA-O 3.16Å; Q297-N299 PolarHBondContact O-N 2.99Å
298	P	94.3	Very high	94.6	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.045	21%	0.206	C	C	.	.			trans	-59.5	133	174	-22.8	33.2	0	0	0	112	Y88 F292 D302 I303 V334 Q337	Y88-P298 HydrophobicContact CE2-CB 4.49Å; Y88-P298 HydrophobicContact CE2-CG 4.29Å; Y88-P298 PolarHBondContact OH-O 2.99Å; F292-P298 HydrophobicContact CD1-CG 3.95Å; F292-P298 HydrophobicContact CD2-CG 4.2Å; F292-P298 HydrophobicContact CE1-CG 3.98Å; F292-P298 HydrophobicContact CE2-CG 4.23Å; F292-P298 HydrophobicContact CG-CG 4.05Å; F292-P298 HydrophobicContact CZ-CG 4.12Å; P298-D302 HydrophobicContact CB-CB 3.74Å; P298-I303 HydrophobicContact CB-CD1 3.88Å; P298-I303 HydrophobicContact CB-CG1 4.29Å; P298-V334 HydrophobicContact CB-CG1 4.49Å; P298-V334 HydrophobicContact CG-CG1 4.39Å; P298-V334 HydrophobicContact CG-CG2 4.45Å; P298-Q337 HydrophobicContact CG-CB 3.92Å; P298-Q337 HydrophobicContact CG-CG 3.97Å
299	N	94.2	Very high	94.8	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.091	17%	0.166	C	C	.	.			trans	-95.3	-176	169.3	75	9.4	0	0	0	111.2	E195 G294 Q297 A301 D302 I303	E195-N299 HydrophobicContact CG-CB 4.34Å; E195-N299 VanDerWaalsContact OE2-CB 3.29Å; E195-N299 WeakPolarHBondContact OE2-CB 3.21Å; G294-N299 PolarHBondContact N-ND2 3.31Å; Q297-N299 PolarHBondContact O-N 2.99Å; N299-A301 PolarHBondContact O-N 3.24Å; N299-A301 WeakPolarHBondContact OD1-CA 3.4Å; N299-A301 VanDerWaalsContact OD1-CB 3.28Å; N299-A301 WeakPolarHBondContact OD1-CB 3.39Å; N299-A301 PolarHBondContact OD1-N 2.97Å; N299-D302 PolarHBondContact N-OD2 3.18Å; N299-D302 PolarHBondContact O-N 3.07Å; N299-D302 VanDerWaalsContact O-N 3.16Å; N299-D302 PolarHBondContact OD1-N 3.38Å; N299-D302 PolarHBondContact OD1-OD2 2.89Å; N299-D302 VanDerWaalsContact OD1-OD2 3.11Å; N299-I303 WeakPolarHBondContact O-CG1 3.48Å; N299-I303 PolarHBondContact O-N 3.06Å
300	L	95.9	Very high	95.1	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-65.1	-24.4	-178.1	-63.9	-177.1	0	0	0	113.6	F85 F89 I134 Q138 L178 E195 R199 A304	F85-L300 HydrophobicContact CD2-CD2 3.71Å; F85-L300 HydrophobicContact CE2-CD2 3.79Å; F89-L300 HydrophobicContact CE2-CD2 3.59Å; F89-L300 HydrophobicContact CZ-CD2 4Å; I134-L300 HydrophobicContact CG2-CD1 4.01Å; I134-L300 HydrophobicContact CG2-CD2 3.96Å; I134-L300 HydrophobicContact CG2-CG 4.48Å; Q138-L300 HydrophobicContact CB-CD1 4.24Å; Q138-L300 HydrophobicContact CG-CD1 4.05Å; Q138-L300 HydrophobicContact CG-CD2 4.4Å; L178-L300 HydrophobicContact CD1-CD1 4.01Å; L178-L300 HydrophobicContact CD2-CD1 3.89Å; L178-L300 HydrophobicContact CG-CD1 4.38Å; E195-L300 HydrophobicContact CG-CB 4.14Å; E195-L300 WeakPolarHBondContact OE2-CB 3.42Å; E195-L300 PolarHBondContact OE2-N 3.06Å; R199-L300 HydrophobicContact CG-CB 4.47Å; L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.49Å; L300-A304 PolarHBondContact O-N 3.08Å
301	A	97.6	Very high	95.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.5	-43.3	173.9	0	0	0	0	0	111	E195 W198 R199 W282 L293 N299 I303 A304 M305	E195-A301 HydrophobicContact CG-CB 4.03Å; W198-A301 HydrophobicContact CB-CB 3.84Å; R199-A301 HydrophobicContact CG-CB 3.87Å; W282-A301 HydrophobicContact CH2-CB 3.94Å; W282-A301 WeakPolarHBondContact CH2-O 3.02Å; W282-A301 HydrophobicContact CZ3-CB 4.47Å; L293-A301 HydrophobicContact CD2-CB 3.61Å; N299-A301 PolarHBondContact O-N 3.24Å; N299-A301 WeakPolarHBondContact OD1-CA 3.4Å; N299-A301 VanDerWaalsContact OD1-CB 3.28Å; N299-A301 WeakPolarHBondContact OD1-CB 3.39Å; N299-A301 PolarHBondContact OD1-N 2.97Å; A301-I303 VanDerWaalsContact C-N 3.32Å; A301-I303 PolarHBondContact O-N 3.19Å; A301-A304 PolarHBondContact O-N 3.4Å; A301-M305 WeakPolarHBondContact O-CB 3.48Å; A301-M305 PolarHBondContact O-N 3.04Å
302	D	98.2	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-47	174.4	-68	-72.9	0	0	0	111	L293 G294 P298 N299 A304 M305 Y306 W330	L293-D302 WeakPolarHBondContact CB-OD2 3.26Å; L293-D302 PolarHBondContact N-OD1 3.03Å; L293-D302 PolarHBondContact N-OD2 3.23Å; L293-D302 VanDerWaalsContact N-OD2 3.13Å; G294-D302 PolarHBondContact N-OD2 2.84Å; P298-D302 HydrophobicContact CB-CB 3.74Å; N299-D302 PolarHBondContact N-OD2 3.18Å; N299-D302 PolarHBondContact O-N 3.07Å; N299-D302 VanDerWaalsContact O-N 3.16Å; N299-D302 PolarHBondContact OD1-N 3.38Å; N299-D302 PolarHBondContact OD1-OD2 2.89Å; N299-D302 VanDerWaalsContact OD1-OD2 3.11Å; D302-A304 PolarHBondContact O-N 2.87Å; D302-M305 PolarHBondContact O-N 2.91Å; D302-Y306 VanDerWaalsContact O-CB 3.29Å; D302-Y306 WeakPolarHBondContact O-CB 3.44Å; D302-Y306 PolarHBondContact O-N 3.2Å; D302-W330 HydrophobicContact CB-CZ2 4.15Å; D302-W330 PolarHBondContact OD1-NE1 3.2Å
303	I	97	Very high	95.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-39.1	178.2	-61	-57.9	0	0	0	111.7	A84 F85 Y88 P298 N299 A301 G307 V334 V338	A84-I303 HydrophobicContact CB-CG2 3.85Å; F85-I303 HydrophobicContact CB-CG2 4.1Å; Y88-I303 HydrophobicContact CD1-CD1 3.95Å; Y88-I303 HydrophobicContact CD1-CG1 4.05Å; Y88-I303 HydrophobicContact CD2-CD1 3.77Å; Y88-I303 HydrophobicContact CE1-CD1 4.43Å; Y88-I303 HydrophobicContact CE1-CG1 4.49Å; Y88-I303 HydrophobicContact CE2-CD1 4.29Å; Y88-I303 HydrophobicContact CG-CD1 3.6Å; Y88-I303 HydrophobicContact CG-CG1 4.17Å; P298-I303 HydrophobicContact CB-CD1 3.88Å; P298-I303 HydrophobicContact CB-CG1 4.29Å; N299-I303 WeakPolarHBondContact O-CG1 3.48Å; N299-I303 PolarHBondContact O-N 3.06Å; A301-I303 VanDerWaalsContact C-N 3.32Å; A301-I303 PolarHBondContact O-N 3.19Å; I303-G307 PolarHBondContact O-N 3.28Å; I303-V334 HydrophobicContact CD1-CG1 4.04Å; I303-V338 HydrophobicContact CD1-CG2 3.88Å
304	A	97.7	Very high	95	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-44.5	175.3	0	0	0	0	0	112.1	K81 V202 L300 A301 D302 A308	K81-A304 HydrophobicContact CD-CB 3.88Å; K81-A304 WeakPolarHBondContact CD-O 3.15Å; K81-A304 HydrophobicContact CG-CB 4.47Å; K81-A304 WeakPolarHBondContact CG-O 3.3Å; V202-A304 HydrophobicContact CG1-CB 4.43Å; L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.49Å; L300-A304 PolarHBondContact O-N 3.08Å; A301-A304 PolarHBondContact O-N 3.4Å; D302-A304 PolarHBondContact O-N 2.87Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 3.17Å
305	M	98.1	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-42.5	176.9	-177.3	64.5	178.4	0	0	111.2	W201 V202 F206 W282 A301 D302 A308 L309 W330	W201-M305 HydrophobicContact CZ3-SD 4.12Å; V202-M305 HydrophobicContact CG2-CB 3.96Å; V202-M305 HydrophobicContact CG2-SD 4.01Å; F206-M305 HydrophobicContact CB-SD 4.47Å; F206-M305 HydrophobicContact CD1-CE 3.83Å; F206-M305 HydrophobicContact CD1-SD 3.53Å; F206-M305 VanDerWaalsContact CD1-SD 3.53Å; F206-M305 HydrophobicContact CD2-CE 3.67Å; F206-M305 HydrophobicContact CD2-SD 4.17Å; F206-M305 HydrophobicContact CE1-CE 3.55Å; F206-M305 HydrophobicContact CE1-SD 3.72Å; F206-M305 HydrophobicContact CE2-CE 3.38Å; F206-M305 HydrophobicContact CE2-SD 4.35Å; F206-M305 HydrophobicContact CG-CE 3.9Å; F206-M305 HydrophobicContact CG-SD 3.78Å; F206-M305 HydrophobicContact CZ-CE 3.32Å; F206-M305 HydrophobicContact CZ-SD 4.14Å; W282-M305 HydrophobicContact CB-CE 4.08Å; W282-M305 HydrophobicContact CD2-CB 4.05Å; W282-M305 HydrophobicContact CD2-CE 4.43Å; W282-M305 HydrophobicContact CD2-CG 3.59Å; W282-M305 HydrophobicContact CD2-SD 4.23Å; W282-M305 HydrophobicContact CE3-CB 4.1Å; W282-M305 HydrophobicContact CE3-CG 3.97Å; W282-M305 HydrophobicContact CE3-SD 4.27Å; W282-M305 HydrophobicContact CG-CE 4.01Å; W282-M305 HydrophobicContact CG-CG 3.98Å; W282-M305 HydrophobicContact CG-SD 4.41Å; W282-M305 HydrophobicContact CH2-CB 3.76Å; W282-M305 HydrophobicContact CH2-CG 4.4Å; W282-M305 HydrophobicContact CZ2-CB 3.69Å; W282-M305 HydrophobicContact CZ2-CG 4.05Å; W282-M305 HydrophobicContact CZ3-CB 3.93Å; W282-M305 HydrophobicContact CZ3-CG 4.32Å; A301-M305 WeakPolarHBondContact O-CB 3.48Å; A301-M305 PolarHBondContact O-N 3.04Å; D302-M305 PolarHBondContact O-N 2.91Å; M305-A308 PolarHBondContact O-N 2.99Å; M305-L309 HydrophobicContact CE-CD1 3.88Å; M305-L309 HydrophobicContact CE-CG 4.2Å; M305-L309 HydrophobicContact CG-CD1 4.31Å; M305-L309 PolarHBondContact O-N 3.21Å; M305-W330 HydrophobicContact CB-CH2 3.71Å; M305-W330 HydrophobicContact CB-CZ2 4.3Å; M305-W330 HydrophobicContact CG-CH2 3.59Å; M305-W330 HydrophobicContact CG-CZ2 4.39Å; M305-W330 HydrophobicContact CG-CZ3 4.05Å
306	Y	98	Very high	95.2	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-48.1	176.5	164.6	-101.7	0	0	0	110.9	A84 D302 A308 L309 N310 F331 V334 K335 V338	A84-Y306 HydrophobicContact CB-CD1 3.67Å; A84-Y306 HydrophobicContact CB-CE1 3.84Å; D302-Y306 VanDerWaalsContact O-CB 3.29Å; D302-Y306 WeakPolarHBondContact O-CB 3.44Å; D302-Y306 PolarHBondContact O-N 3.2Å; Y306-A308 VanDerWaalsContact C-N 3.3Å; Y306-A308 PolarHBondContact O-N 3.14Å; Y306-L309 PolarHBondContact O-N 2.88Å; Y306-N310 HydrophobicContact CE1-CB 4.49Å; Y306-N310 HydrophobicContact CE2-CB 4.37Å; Y306-N310 WeakPolarHBondContact O-CB 3.43Å; Y306-N310 PolarHBondContact O-N 2.89Å; Y306-F331 AromaticContact CD2-CD2 3.71Å; Y306-F331 HydrophobicContact CD2-CD2 3.71Å; Y306-F331 AromaticContact CD2-CE2 3.55Å; Y306-F331 HydrophobicContact CD2-CE2 3.55Å; Y306-F331 HydrophobicContact CD2-CG 4.5Å; Y306-F331 HydrophobicContact CD2-CZ 4.22Å; Y306-F331 HydrophobicContact CE2-CD2 4.08Å; Y306-F331 HydrophobicContact CE2-CE1 4.41Å; Y306-F331 AromaticContact CE2-CE2 3.56Å; Y306-F331 HydrophobicContact CE2-CE2 3.56Å; Y306-F331 AromaticContact CE2-CZ 3.76Å; Y306-F331 HydrophobicContact CE2-CZ 3.76Å; Y306-V334 HydrophobicContact CD1-CG1 4.09Å; Y306-V334 HydrophobicContact CD2-CB 4.13Å; Y306-V334 HydrophobicContact CD2-CG1 4.01Å; Y306-V334 HydrophobicContact CG-CB 4.19Å; Y306-V334 HydrophobicContact CG-CG1 3.6Å; Y306-K335 HydrophobicContact CE2-CB 3.71Å; Y306-K335 HydrophobicContact CE2-CG 4.21Å; Y306-V338 HydrophobicContact CD1-CG2 4.08Å; Y306-V338 HydrophobicContact CE1-CB 4.38Å; Y306-V338 HydrophobicContact CE1-CG1 4.42Å; Y306-V338 HydrophobicContact CE1-CG2 3.87Å
307	G	96.6	Very high	95.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-38.4	177.1	0	0	0	0	0	112.8	S80 I303 N310 S311	S80-G307 WeakPolarHBondContact CB-O 3.37Å; I303-G307 PolarHBondContact O-N 3.28Å; G307-N310 PolarHBondContact O-N 2.88Å; G307-S311 PolarHBondContact O-N 3.15Å
308	A	97.4	Very high	95.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63	-46	175.2	0	0	0	0	0	111.8	V202 F206 V207 I210 A304 M305 Y306 S311	V202-A308 HydrophobicContact CG1-CB 4.1Å; F206-A308 HydrophobicContact CD1-CB 4.01Å; F206-A308 HydrophobicContact CE1-CB 4.13Å; V207-A308 HydrophobicContact CG2-CB 4.15Å; I210-A308 HydrophobicContact CD1-CB 4.14Å; I210-A308 WeakPolarHBondContact CD1-O 3.5Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 3.17Å; M305-A308 PolarHBondContact O-N 2.99Å; Y306-A308 VanDerWaalsContact C-N 3.3Å; Y306-A308 PolarHBondContact O-N 3.14Å; A308-S311 WeakPolarHBondContact O-CB 3.17Å; A308-S311 PolarHBondContact O-N 3.02Å; A308-S311 PolarHBondContact O-OG 3.38Å
309	L	97.3	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-43	175.9	-80	168.2	0	0	0	112.9	F206 M305 Y306 S311 F312 E313 F318 L321 I327 W330 F331	F206-L309 HydrophobicContact CE1-CD2 4.1Å; F206-L309 HydrophobicContact CE1-CG 4.04Å; F206-L309 HydrophobicContact CZ-CD2 3.7Å; F206-L309 HydrophobicContact CZ-CG 4.05Å; M305-L309 HydrophobicContact CE-CD1 3.88Å; M305-L309 HydrophobicContact CE-CG 4.2Å; M305-L309 HydrophobicContact CG-CD1 4.31Å; M305-L309 PolarHBondContact O-N 3.21Å; Y306-L309 PolarHBondContact O-N 2.88Å; L309-S311 PolarHBondContact O-N 3.36Å; L309-S311 VanDerWaalsContact O-N 3.16Å; L309-F312 HydrophobicContact CD2-CE1 4.15Å; L309-F312 HydrophobicContact CD2-CZ 3.77Å; L309-F312 WeakPolarHBondContact O-CD1 3.44Å; L309-F312 PolarHBondContact O-N 3.39Å; L309-E313 PolarHBondContact O-N 3.49Å; L309-F318 HydrophobicContact CB-CE2 4.25Å; L309-F318 HydrophobicContact CD2-CD2 4.49Å; L309-F318 HydrophobicContact CD2-CE2 4.33Å; L309-L321 HydrophobicContact CD2-CD2 3.48Å; L309-L321 VanDerWaalsContact CD2-CD2 3.48Å; L309-I327 HydrophobicContact CD1-CG1 3.93Å; L309-W330 HydrophobicContact CD1-CE3 4.5Å; L309-W330 HydrophobicContact CD1-CZ3 3.73Å; L309-F331 HydrophobicContact CB-CD2 3.89Å; L309-F331 HydrophobicContact CB-CE2 3.85Å; L309-F331 HydrophobicContact CD1-CD2 4.23Å
310	N	95	Very high	95.9	Very high	23 Å²	23	17.1 Å²	17.1	12%	0.123	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-25.4	-179.9	-168	45.4	0	0	0	112.2	Y306 G307 F312 E313 F331	Y306-N310 HydrophobicContact CE1-CB 4.49Å; Y306-N310 HydrophobicContact CE2-CB 4.37Å; Y306-N310 WeakPolarHBondContact O-CB 3.43Å; Y306-N310 PolarHBondContact O-N 2.89Å; G307-N310 PolarHBondContact O-N 2.88Å; N310-F312 PolarHBondContact O-N 2.86Å; N310-F312 VanDerWaalsContact O-N 3.07Å; N310-E313 PolarHBondContact O-N 3.29Å; N310-E313 PolarHBondContact OD1-OE2 2.86Å; N310-F331 HydrophobicContact CB-CE2 4.21Å; N310-F331 HydrophobicContact CB-CZ 4.38Å
311	S	94.7	Very high	95.9	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.6	177.4	75.1	0	0	0	0	115	S80 G307 A308 L309	S80-S311 WeakPolarHBondContact OG-CB 3.47Å; G307-S311 PolarHBondContact O-N 3.15Å; A308-S311 WeakPolarHBondContact O-CB 3.17Å; A308-S311 PolarHBondContact O-N 3.02Å; A308-S311 PolarHBondContact O-OG 3.38Å; L309-S311 PolarHBondContact O-N 3.36Å; L309-S311 VanDerWaalsContact O-N 3.16Å
312	F	95	Very high	95.7	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	23.3	178.3	67.9	-82.9	0	0	0	113.3	I210 V214 L275 L309 N310 G314 C315 A317 F318	I210-F312 HydrophobicContact CB-CE1 4.39Å; I210-F312 HydrophobicContact CD1-CD1 4.24Å; I210-F312 HydrophobicContact CD1-CE1 3.89Å; I210-F312 HydrophobicContact CG1-CD1 4.28Å; I210-F312 HydrophobicContact CG1-CE1 3.76Å; I210-F312 HydrophobicContact CG2-CD1 3.53Å; I210-F312 HydrophobicContact CG2-CE1 3.86Å; I210-F312 HydrophobicContact CG2-CG 4.15Å; V214-F312 HydrophobicContact CG2-CB 3.64Å; V214-F312 HydrophobicContact CG2-CD1 4.46Å; V214-F312 HydrophobicContact CG2-CD2 3.91Å; V214-F312 HydrophobicContact CG2-CG 3.76Å; L275-F312 HydrophobicContact CD1-CZ 4.47Å; L275-F312 HydrophobicContact CD2-CE2 4.44Å; L309-F312 HydrophobicContact CD2-CE1 4.15Å; L309-F312 HydrophobicContact CD2-CZ 3.77Å; L309-F312 WeakPolarHBondContact O-CD1 3.44Å; L309-F312 PolarHBondContact O-N 3.39Å; N310-F312 PolarHBondContact O-N 2.86Å; N310-F312 VanDerWaalsContact O-N 3.07Å; F312-G314 PolarHBondContact O-N 3.45Å; F312-G314 VanDerWaalsContact O-N 3.15Å; F312-C315 HydrophobicContact CB-CB 4.15Å; F312-C315 VanDerWaalsContact O-CB 3.29Å; F312-C315 WeakPolarHBondContact O-CB 3.05Å; F312-C315 PolarHBondContact O-N 3.3Å; F312-A317 HydrophobicContact CD2-CB 4.24Å; F312-A317 HydrophobicContact CE2-CB 4.33Å; F312-F318 HydrophobicContact CD2-CB 3.74Å; F312-F318 HydrophobicContact CD2-CD2 4.32Å; F312-F318 HydrophobicContact CE2-CB 3.86Å; F312-F318 HydrophobicContact CE2-CD2 4.02Å; F312-F318 HydrophobicContact CE2-CG 4.46Å; F312-F318 HydrophobicContact CZ-CD2 4.44Å; F312-F318 VanDerWaalsContact O-CB 3.28Å; F312-F318 WeakPolarHBondContact O-CB 3.31Å
313	E	94.5	Very high	95.5	Very high	47 Å²	47	25.7 Å²	25.7	22%	0.22	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-41	-177.1	-174.3	-176.7	-168.6	0	0	112.7	L309 N310 C315 F318 F331 K335	L309-E313 PolarHBondContact O-N 3.49Å; N310-E313 PolarHBondContact O-N 3.29Å; N310-E313 PolarHBondContact OD1-OE2 2.86Å; E313-C315 VanDerWaalsContact C-N 3.33Å; E313-C315 PolarHBondContact O-N 2.87Å; E313-F318 HydrophobicContact CG-CD1 4.17Å; E313-F318 HydrophobicContact CG-CE1 3.9Å; E313-F318 HydrophobicContact CG-CZ 4.1Å; E313-F318 WeakPolarHBondContact O-CB 3.38Å; E313-F318 VanDerWaalsContact O-CD1 3.24Å; E313-F318 WeakPolarHBondContact O-CD1 3.29Å; E313-F318 WeakPolarHBondContact O-CG 3.4Å; E313-F331 HydrophobicContact CB-CZ 4.47Å; E313-F331 HydrophobicContact CG-CE1 4.2Å; E313-F331 HydrophobicContact CG-CZ 4.09Å; E313-F331 WeakPolarHBondContact OE1-CE1 2.99Å; E313-K335 IonicContact OE1-NZ 2.89Å; E313-K335 PolarHBondContact OE1-NZ 2.79Å; E313-K335 IonicContact OE2-NZ 2.71Å; E313-K335 PolarHBondContact OE2-NZ 3.33Å
314	G	91.8	Very high	95.5	Very high	25 Å²	25	30.2 Å²	30.2	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.5	179.9	0	0	0	0	0	115.7	W227 F312	W227-G314 VanDerWaalsContact CE2-CA 3.45Å; F312-G314 PolarHBondContact O-N 3.45Å; F312-G314 VanDerWaalsContact O-N 3.15Å
315	C	94.1	Very high	95.4	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.027	15%	0.154	C	C	.	.	S	Bend	trans	-84.8	154.1	-178.5	-65.1	0	0	0	0	111.8	V214 F312 E313 A317 F318 R319	V214-C315 HydrophobicContact CG1-CB 4.38Å; F312-C315 HydrophobicContact CB-CB 4.15Å; F312-C315 VanDerWaalsContact O-CB 3.29Å; F312-C315 WeakPolarHBondContact O-CB 3.05Å; F312-C315 PolarHBondContact O-N 3.3Å; E313-C315 VanDerWaalsContact C-N 3.33Å; E313-C315 PolarHBondContact O-N 2.87Å; C315-A317 PolarHBondContact O-N 3.3Å; C315-A317 VanDerWaalsContact O-N 3.14Å; C315-F318 WeakPolarHBondContact O-CB 3.48Å; C315-F318 PolarHBondContact O-N 3.34Å; C315-R319 PolarHBondContact O-N 3.06Å
316	K	94.5	Very high	95.2	Very high	88 Å²	88	39.4 Å²	39.4	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-54.2	-35.3	174.9	-169.7	173.4	-177.5	175.5	0	113.5	E220 F318 R319 D320	E220-K316 HydrophobicContact CG-CD 4.28Å; K316-F318 VanDerWaalsContact C-N 3.26Å; K316-F318 PolarHBondContact O-N 2.82Å; K316-R319 PolarHBondContact O-N 3.41Å; K316-D320 VanDerWaalsContact O-CG 3.26Å; K316-D320 PolarHBondContact O-N 2.88Å
317	A	94.7	Very high	95.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-34.6	176.3	0	0	0	0	0	113.3	N213 V214 L275 F312 C315 L321	N213-A317 HydrophobicContact CB-CB 4.33Å; V214-A317 HydrophobicContact CG2-CB 4.25Å; L275-A317 HydrophobicContact CD2-CB 4.49Å; F312-A317 HydrophobicContact CD2-CB 4.24Å; F312-A317 HydrophobicContact CE2-CB 4.33Å; C315-A317 PolarHBondContact O-N 3.3Å; C315-A317 VanDerWaalsContact O-N 3.14Å; A317-L321 VanDerWaalsContact O-CB 3.28Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 PolarHBondContact O-N 2.8Å
318	F	95.7	Very high	95	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-75.2	-37.1	176.8	-171.5	-88.6	0	0	0	112	L309 F312 E313 C315 K316 L321 S322 F331	L309-F318 HydrophobicContact CB-CE2 4.25Å; L309-F318 HydrophobicContact CD2-CD2 4.49Å; L309-F318 HydrophobicContact CD2-CE2 4.33Å; F312-F318 HydrophobicContact CD2-CB 3.74Å; F312-F318 HydrophobicContact CD2-CD2 4.32Å; F312-F318 HydrophobicContact CE2-CB 3.86Å; F312-F318 HydrophobicContact CE2-CD2 4.02Å; F312-F318 HydrophobicContact CE2-CG 4.46Å; F312-F318 HydrophobicContact CZ-CD2 4.44Å; F312-F318 VanDerWaalsContact O-CB 3.28Å; F312-F318 WeakPolarHBondContact O-CB 3.31Å; E313-F318 HydrophobicContact CG-CD1 4.17Å; E313-F318 HydrophobicContact CG-CE1 3.9Å; E313-F318 HydrophobicContact CG-CZ 4.1Å; E313-F318 WeakPolarHBondContact O-CB 3.38Å; E313-F318 VanDerWaalsContact O-CD1 3.24Å; E313-F318 WeakPolarHBondContact O-CD1 3.29Å; E313-F318 WeakPolarHBondContact O-CG 3.4Å; C315-F318 WeakPolarHBondContact O-CB 3.48Å; C315-F318 PolarHBondContact O-N 3.34Å; K316-F318 VanDerWaalsContact C-N 3.26Å; K316-F318 PolarHBondContact O-N 2.82Å; F318-L321 HydrophobicContact CD2-CD2 4.37Å; F318-L321 WeakPolarHBondContact O-CB 3.23Å; F318-L321 PolarHBondContact O-N 3.41Å; F318-S322 WeakPolarHBondContact CE1-OG 3.49Å; F318-S322 WeakPolarHBondContact O-CB 3.18Å; F318-S322 PolarHBondContact O-N 2.88Å; F318-S322 PolarHBondContact O-OG 3.44Å; F318-F331 HydrophobicContact CE2-CD2 4.19Å; F318-F331 HydrophobicContact CE2-CE1 4.41Å; F318-F331 HydrophobicContact CE2-CE2 4.04Å; F318-F331 HydrophobicContact CE2-CG 4.44Å; F318-F331 HydrophobicContact CE2-CZ 4.16Å; F318-F331 AromaticContact CZ-CD1 3.76Å; F318-F331 HydrophobicContact CZ-CD1 3.76Å; F318-F331 HydrophobicContact CZ-CD2 4.17Å; F318-F331 AromaticContact CZ-CE1 3.71Å; F318-F331 HydrophobicContact CZ-CE1 3.71Å; F318-F331 HydrophobicContact CZ-CE2 4.13Å; F318-F331 AromaticContact CZ-CG 4Å; F318-F331 HydrophobicContact CZ-CG 4Å; F318-F331 AromaticContact CZ-CZ 3.9Å; F318-F331 HydrophobicContact CZ-CZ 3.9Å
319	R	95	Very high	94.8	Very high	114 Å²	114	44.9 Å²	44.9	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-51.1	171.6	-67.4	-169.5	-67.3	-112.8	-2.3	111.2	E223 C315 K316 L321 S322 E323	E223-R319 IonicContact OE1-CZ 3.26Å; E223-R319 IonicContact OE1-NH1 3.44Å; E223-R319 IonicContact OE1-NH2 3.67Å; E223-R319 PolarHBondContact OE1-NH2 3.03Å; C315-R319 PolarHBondContact O-N 3.06Å; K316-R319 PolarHBondContact O-N 3.41Å; R319-L321 VanDerWaalsContact C-N 3.28Å; R319-L321 PolarHBondContact O-N 3.4Å; R319-S322 WeakPolarHBondContact O-CB 3.14Å; R319-S322 PolarHBondContact O-N 3.36Å; R319-E323 WeakPolarHBondContact O-CG 3.36Å; R319-E323 PolarHBondContact O-N 3.44Å
320	D	95.3	Very high	94.8	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-44.3	176.5	-66.3	-11.3	0	0	0	110.6	R216 R272 Y276 K316 E323 N324	R216-D320 IonicContact NH2-OD2 3.61Å; R272-D320 IonicContact CZ-OD2 3.23Å; R272-D320 IonicContact NE-OD2 2.75Å; R272-D320 PolarHBondContact NE-OD2 2.99Å; R272-D320 IonicContact NH2-OD2 2.88Å; R272-D320 PolarHBondContact NH2-OD2 2.9Å; Y276-D320 PolarHBondContact OH-O 2.74Å; K316-D320 VanDerWaalsContact O-CG 3.26Å; K316-D320 PolarHBondContact O-N 2.88Å; D320-E323 PolarHBondContact O-N 3.05Å; D320-N324 WeakPolarHBondContact O-CB 3.47Å; D320-N324 PolarHBondContact O-N 3.22Å; D320-N324 PolarHBondContact O-ND2 3.19Å
321	L	95.2	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175	171.4	71.5	0	0	0	112.9	L275 Y276 C279 L309 A317 F318 R319 E323 N324 T325 I327	L275-L321 HydrophobicContact CD2-CB 4.28Å; L275-L321 HydrophobicContact CG-CD1 4.32Å; Y276-L321 HydrophobicContact CD1-CD1 3.99Å; Y276-L321 HydrophobicContact CE1-CB 4.4Å; C279-L321 HydrophobicContact CB-CD1 3.69Å; C279-L321 WeakPolarHBondContact SG-CD1 3.42Å; L309-L321 HydrophobicContact CD2-CD2 3.48Å; L309-L321 VanDerWaalsContact CD2-CD2 3.48Å; A317-L321 VanDerWaalsContact O-CB 3.28Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 PolarHBondContact O-N 2.8Å; F318-L321 HydrophobicContact CD2-CD2 4.37Å; F318-L321 WeakPolarHBondContact O-CB 3.23Å; F318-L321 PolarHBondContact O-N 3.41Å; R319-L321 VanDerWaalsContact C-N 3.28Å; R319-L321 PolarHBondContact O-N 3.4Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-N324 PolarHBondContact O-N 3.48Å; L321-T325 HydrophobicContact CD1-CG2 3.72Å; L321-T325 WeakPolarHBondContact CD1-OG1 3.07Å; L321-T325 PolarHBondContact O-N 3.02Å; L321-T325 PolarHBondContact O-OG1 3.27Å; L321-I327 HydrophobicContact CD1-CG2 4.15Å; L321-I327 HydrophobicContact CD2-CG2 3.88Å; L321-I327 HydrophobicContact CG-CG2 3.78Å
322	S	94	Very high	94.9	Very high	33 Å²	33	48.7 Å²	48.7	23%	0.231	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-30.4	-176.8	-61.7	0	0	0	0	112.5	F318 R319 T328	F318-S322 WeakPolarHBondContact CE1-OG 3.49Å; F318-S322 WeakPolarHBondContact O-CB 3.18Å; F318-S322 PolarHBondContact O-N 2.88Å; F318-S322 PolarHBondContact O-OG 3.44Å; R319-S322 WeakPolarHBondContact O-CB 3.14Å; R319-S322 PolarHBondContact O-N 3.36Å; S322-T328 VanDerWaalsContact CA-OG1 3.3Å; S322-T328 WeakPolarHBondContact CA-OG1 3.24Å; S322-T328 WeakPolarHBondContact CB-OG1 3.32Å; S322-T328 PolarHBondContact O-OG1 3.45Å
323	E	94.8	Very high	94.9	Very high	153 Å²	153	50 Å²	50	72%	0.715	26%	0.261	S	S	*	.	H	α-helix	trans	-81.2	-28.1	177.6	-70.2	172.6	-174.8	0	0	112.8	R319 D320 L321	R319-E323 WeakPolarHBondContact O-CG 3.36Å; R319-E323 PolarHBondContact O-N 3.44Å; D320-E323 PolarHBondContact O-N 3.05Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å
324	N	95.5	Very high	95	Very high	95 Å²	95	47.7 Å²	47.7	51%	0.508	25%	0.25	S	S	.	.	H	α-helix	trans	-106.5	-3.3	-172.4	-70.2	-89.1	0	0	0	114.3	Y276 D320 L321	Y276-N324 HydrophobicContact CD1-CB 4.33Å; Y276-N324 HydrophobicContact CD2-CB 3.9Å; Y276-N324 HydrophobicContact CE1-CB 4Å; Y276-N324 HydrophobicContact CE2-CB 3.47Å; Y276-N324 VanDerWaalsContact CE2-CB 3.47Å; Y276-N324 HydrophobicContact CG-CB 4.3Å; Y276-N324 PolarHBondContact OH-ND2 3.23Å; D320-N324 WeakPolarHBondContact O-CB 3.47Å; D320-N324 PolarHBondContact O-N 3.22Å; D320-N324 PolarHBondContact O-ND2 3.19Å; L321-N324 PolarHBondContact O-N 3.48Å
325	T	95.6	Very high	95.1	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.098	25%	0.246	C	C	.	.	S	Bend	trans	-138.9	165	179.2	71.6	0	0	0	0	111.4	Y276 C279 L321 I327	Y276-T325 HydrophobicContact CD1-CG2 4.06Å; Y276-T325 HydrophobicContact CG-CG2 4.08Å; C279-T325 HydrophobicContact CB-CG2 4.38Å; L321-T325 HydrophobicContact CD1-CG2 3.72Å; L321-T325 WeakPolarHBondContact CD1-OG1 3.07Å; L321-T325 PolarHBondContact O-N 3.02Å; L321-T325 PolarHBondContact O-OG1 3.27Å; T325-I327 VanDerWaalsContact C-N 3.27Å; T325-I327 PolarHBondContact O-N 3.46Å; T325-I327 WeakPolarHBondContact OG1-CG2 3.34Å; T325-I327 PolarHBondContact OG1-N 3.24Å
326	K	94.1	Very high	94.9	Very high	181 Å²	181	53.7 Å²	53.7	79%	0.787	27%	0.271	S	S	*	.	S	Bend	trans	-87.3	8	176	-63.2	-178	-178.4	177.5	0	113.4	L283 T328 A329	L283-K326 HydrophobicContact CD1-CB 4.17Å; K326-T328 PolarHBondContact O-N 3.3Å; K326-A329 PolarHBondContact O-N 2.76Å
327	I	96.4	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-27.1	-172	-163	65.8	0	0	0	112.6	C279 L283 L309 L321 T325 A329 W330 F331	C279-I327 HydrophobicContact CB-CB 4.28Å; C279-I327 HydrophobicContact CB-CD1 4.46Å; C279-I327 HydrophobicContact CB-CG1 4.31Å; L283-I327 HydrophobicContact CD1-CB 4.24Å; L283-I327 HydrophobicContact CD1-CD1 4.2Å; L283-I327 HydrophobicContact CD2-CD1 3.77Å; L283-I327 HydrophobicContact CG-CD1 3.77Å; L309-I327 HydrophobicContact CD1-CG1 3.93Å; L321-I327 HydrophobicContact CD1-CG2 4.15Å; L321-I327 HydrophobicContact CD2-CG2 3.88Å; L321-I327 HydrophobicContact CG-CG2 3.78Å; T325-I327 VanDerWaalsContact C-N 3.27Å; T325-I327 PolarHBondContact O-N 3.46Å; T325-I327 WeakPolarHBondContact OG1-CG2 3.34Å; T325-I327 PolarHBondContact OG1-N 3.24Å; I327-A329 VanDerWaalsContact C-N 3.29Å; I327-A329 PolarHBondContact O-N 3.43Å; I327-W330 HydrophobicContact CD1-CD2 4.33Å; I327-W330 HydrophobicContact CD1-CE3 3.66Å; I327-W330 HydrophobicContact CD1-CZ3 4.23Å; I327-W330 HydrophobicContact CG1-CE3 4.09Å; I327-W330 PolarHBondContact O-N 3.13Å; I327-F331 WeakPolarHBondContact O-CB 2.82Å; I327-F331 PolarHBondContact O-N 3.4Å
328	T	94.5	Very high	94.5	Very high	42 Å²	42	52 Å²	52	26%	0.258	26%	0.264	S	S	.	.	H	α-helix	trans	-56.9	-40	-176.2	-46.8	0	0	0	0	112.6	S322 K326 F331 Q332	S322-T328 VanDerWaalsContact CA-OG1 3.3Å; S322-T328 WeakPolarHBondContact CA-OG1 3.24Å; S322-T328 WeakPolarHBondContact CB-OG1 3.32Å; S322-T328 PolarHBondContact O-OG1 3.45Å; K326-T328 PolarHBondContact O-N 3.3Å; T328-F331 PolarHBondContact O-N 2.82Å; T328-Q332 HydrophobicContact CG2-CG 4.45Å; T328-Q332 VanDerWaalsContact O-CG 3.3Å; T328-Q332 WeakPolarHBondContact O-CG 3.26Å; T328-Q332 PolarHBondContact O-N 2.61Å
329	A	93.5	Very high	93.9	Very high	79 Å²	79	57 Å²	57	65%	0.653	29%	0.288	S	S	*	.	H	α-helix	trans	-64.8	-46	179.7	0	0	0	0	0	111.5	K326 I327 A333	K326-A329 PolarHBondContact O-N 2.76Å; I327-A329 VanDerWaalsContact C-N 3.29Å; I327-A329 PolarHBondContact O-N 3.43Å; A329-A333 WeakPolarHBondContact O-CB 3.4Å; A329-A333 PolarHBondContact O-N 2.85Å; A329-A333 VanDerWaalsContact O-N 3.08Å
330	W	96.7	Very high	93.1	Very high	14 Å²	14	55.4 Å²	55.4	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-43.6	174.5	170.5	87.7	0	0	0	111.4	W282 L283 I286 F292 D302 M305 L309 I327 Q332 A333 V334	W282-W330 AromaticContact CE2-CZ2 3.72Å; W282-W330 HydrophobicContact CZ2-CH2 4.28Å; W282-W330 AromaticContact CZ2-CZ2 3.66Å; W282-W330 HydrophobicContact CZ2-CZ2 3.66Å; W282-W330 AromaticContact NE1-CD2 3.77Å; W282-W330 AromaticContact NE1-CE2 3.37Å; W282-W330 AromaticContact NE1-CH2 3.62Å; W282-W330 AromaticContact NE1-CZ2 3.28Å; W282-W330 VanDerWaalsContact NE1-CZ2 3.28Å; W282-W330 AromaticContact NE1-CZ3 3.99Å; W282-W330 AromaticContact NE1-NE1 3.92Å; L283-W330 HydrophobicContact CD2-CB 4.26Å; I286-W330 VanDerWaalsContact CD1-CD1 3.41Å; I286-W330 HydrophobicContact CD1-CD2 4.33Å; I286-W330 HydrophobicContact CD1-CG 4.04Å; I286-W330 VanDerWaalsContact CD1-NE1 3.3Å; F292-W330 AromaticContact CD1-NE1 3.95Å; D302-W330 HydrophobicContact CB-CZ2 4.15Å; D302-W330 PolarHBondContact OD1-NE1 3.2Å; M305-W330 HydrophobicContact CB-CH2 3.71Å; M305-W330 HydrophobicContact CB-CZ2 4.3Å; M305-W330 HydrophobicContact CG-CH2 3.59Å; M305-W330 HydrophobicContact CG-CZ2 4.39Å; M305-W330 HydrophobicContact CG-CZ3 4.05Å; L309-W330 HydrophobicContact CD1-CE3 4.5Å; L309-W330 HydrophobicContact CD1-CZ3 3.73Å; I327-W330 HydrophobicContact CD1-CD2 4.33Å; I327-W330 HydrophobicContact CD1-CE3 3.66Å; I327-W330 HydrophobicContact CD1-CZ3 4.23Å; I327-W330 HydrophobicContact CG1-CE3 4.09Å; I327-W330 PolarHBondContact O-N 3.13Å; W330-Q332 PolarHBondContact O-N 3.41Å; W330-A333 WeakPolarHBondContact O-CB 3.35Å; W330-A333 PolarHBondContact O-N 3.46Å; W330-V334 HydrophobicContact CD2-CG2 4.15Å; W330-V334 HydrophobicContact CH2-CG2 4.29Å; W330-V334 HydrophobicContact CZ2-CG2 3.72Å; W330-V334 WeakPolarHBondContact O-CG2 3.4Å; W330-V334 PolarHBondContact O-N 3.14Å
331	F	97.6	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-45.6	179.6	176.2	-92.1	0	0	0	111.9	Y306 L309 N310 E313 F318 I327 T328 V334 K335	Y306-F331 AromaticContact CD2-CD2 3.71Å; Y306-F331 HydrophobicContact CD2-CD2 3.71Å; Y306-F331 AromaticContact CD2-CE2 3.55Å; Y306-F331 HydrophobicContact CD2-CE2 3.55Å; Y306-F331 HydrophobicContact CD2-CG 4.5Å; Y306-F331 HydrophobicContact CD2-CZ 4.22Å; Y306-F331 HydrophobicContact CE2-CD2 4.08Å; Y306-F331 HydrophobicContact CE2-CE1 4.41Å; Y306-F331 AromaticContact CE2-CE2 3.56Å; Y306-F331 HydrophobicContact CE2-CE2 3.56Å; Y306-F331 AromaticContact CE2-CZ 3.76Å; Y306-F331 HydrophobicContact CE2-CZ 3.76Å; L309-F331 HydrophobicContact CB-CD2 3.89Å; L309-F331 HydrophobicContact CB-CE2 3.85Å; L309-F331 HydrophobicContact CD1-CD2 4.23Å; N310-F331 HydrophobicContact CB-CE2 4.21Å; N310-F331 HydrophobicContact CB-CZ 4.38Å; E313-F331 HydrophobicContact CB-CZ 4.47Å; E313-F331 HydrophobicContact CG-CE1 4.2Å; E313-F331 HydrophobicContact CG-CZ 4.09Å; E313-F331 WeakPolarHBondContact OE1-CE1 2.99Å; F318-F331 HydrophobicContact CE2-CD2 4.19Å; F318-F331 HydrophobicContact CE2-CE1 4.41Å; F318-F331 HydrophobicContact CE2-CE2 4.04Å; F318-F331 HydrophobicContact CE2-CG 4.44Å; F318-F331 HydrophobicContact CE2-CZ 4.16Å; F318-F331 AromaticContact CZ-CD1 3.76Å; F318-F331 HydrophobicContact CZ-CD1 3.76Å; F318-F331 HydrophobicContact CZ-CD2 4.17Å; F318-F331 AromaticContact CZ-CE1 3.71Å; F318-F331 HydrophobicContact CZ-CE1 3.71Å; F318-F331 HydrophobicContact CZ-CE2 4.13Å; F318-F331 AromaticContact CZ-CG 4Å; F318-F331 HydrophobicContact CZ-CG 4Å; F318-F331 AromaticContact CZ-CZ 3.9Å; F318-F331 HydrophobicContact CZ-CZ 3.9Å; I327-F331 WeakPolarHBondContact O-CB 2.82Å; I327-F331 PolarHBondContact O-N 3.4Å; T328-F331 PolarHBondContact O-N 2.82Å; F331-V334 PolarHBondContact O-N 3.4Å; F331-K335 HydrophobicContact CE1-CD 4.09Å; F331-K335 WeakPolarHBondContact O-CB 3.32Å; F331-K335 PolarHBondContact O-N 2.99Å
332	Q	95.5	Very high	89.9	Confident	90 Å²	90	60.2 Å²	60.2	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-37.8	177	-67.6	-60.5	-27.1	0	0	111.9	T328 W330 K335 E336	T328-Q332 HydrophobicContact CG2-CG 4.45Å; T328-Q332 VanDerWaalsContact O-CG 3.3Å; T328-Q332 WeakPolarHBondContact O-CG 3.26Å; T328-Q332 PolarHBondContact O-N 2.61Å; W330-Q332 PolarHBondContact O-N 3.41Å; Q332-K335 PolarHBondContact O-N 3.42Å; Q332-E336 WeakPolarHBondContact O-CB 2.98Å; Q332-E336 PolarHBondContact O-N 2.75Å
333	A	94.6	Very high	87.5	Confident	29 Å²	29	60.3 Å²	60.3	24%	0.24	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.5	0	0	0	0	0	112	F292 A329 W330 Q337	F292-A333 HydrophobicContact CE1-CB 3.78Å; F292-A333 HydrophobicContact CZ-CB 3.97Å; A329-A333 WeakPolarHBondContact O-CB 3.4Å; A329-A333 PolarHBondContact O-N 2.85Å; A329-A333 VanDerWaalsContact O-N 3.08Å; W330-A333 WeakPolarHBondContact O-CB 3.35Å; W330-A333 PolarHBondContact O-N 3.46Å; A333-Q337 WeakPolarHBondContact O-CG 3.33Å; A333-Q337 PolarHBondContact O-N 3.46Å
334	V	95.8	Very high	85.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.5	-42.5	175.2	-177.7	0	0	0	0	110.9	F292 P298 I303 Y306 W330 F331 E336 Q337 V338	F292-V334 HydrophobicContact CD1-CG2 3.67Å; F292-V334 HydrophobicContact CE1-CG2 3.61Å; P298-V334 HydrophobicContact CB-CG1 4.49Å; P298-V334 HydrophobicContact CG-CG1 4.39Å; P298-V334 HydrophobicContact CG-CG2 4.45Å; I303-V334 HydrophobicContact CD1-CG1 4.04Å; Y306-V334 HydrophobicContact CD1-CG1 4.09Å; Y306-V334 HydrophobicContact CD2-CB 4.13Å; Y306-V334 HydrophobicContact CD2-CG1 4.01Å; Y306-V334 HydrophobicContact CG-CB 4.19Å; Y306-V334 HydrophobicContact CG-CG1 3.6Å; W330-V334 HydrophobicContact CD2-CG2 4.15Å; W330-V334 HydrophobicContact CH2-CG2 4.29Å; W330-V334 HydrophobicContact CZ2-CG2 3.72Å; W330-V334 WeakPolarHBondContact O-CG2 3.4Å; W330-V334 PolarHBondContact O-N 3.14Å; F331-V334 PolarHBondContact O-N 3.4Å; V334-E336 VanDerWaalsContact C-N 3.3Å; V334-E336 PolarHBondContact O-N 3.28Å; V334-Q337 WeakPolarHBondContact O-CB 3.49Å; V334-Q337 PolarHBondContact O-N 2.85Å; V334-V338 HydrophobicContact CG1-CG2 4.18Å; V334-V338 WeakPolarHBondContact O-CG2 3.32Å; V334-V338 PolarHBondContact O-N 3.16Å
335	K	94.7	Very high	82.6	Confident	38 Å²	38	58.6 Å²	58.6	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-54.5	-46.6	176.2	-172.9	163.8	-178.6	163.4	0	111.8	Y306 E313 F331 Q332 Q337 V338 E339	Y306-K335 HydrophobicContact CE2-CB 3.71Å; Y306-K335 HydrophobicContact CE2-CG 4.21Å; E313-K335 IonicContact OE1-NZ 2.89Å; E313-K335 PolarHBondContact OE1-NZ 2.79Å; E313-K335 IonicContact OE2-NZ 2.71Å; E313-K335 PolarHBondContact OE2-NZ 3.33Å; F331-K335 HydrophobicContact CE1-CD 4.09Å; F331-K335 WeakPolarHBondContact O-CB 3.32Å; F331-K335 PolarHBondContact O-N 2.99Å; Q332-K335 PolarHBondContact O-N 3.42Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.05Å; K335-V338 PolarHBondContact O-N 3.18Å; K335-E339 VanDerWaalsContact CE-OE1 3.24Å; K335-E339 WeakPolarHBondContact CE-OE1 3.47Å; K335-E339 WeakPolarHBondContact O-CG 3.25Å; K335-E339 PolarHBondContact O-N 3.43Å
336	E	90.4	Very high	80.2	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-39.8	176.4	179.7	173.3	-165.1	0	0	112.2	Q332 V334 N340	Q332-E336 WeakPolarHBondContact O-CB 2.98Å; Q332-E336 PolarHBondContact O-N 2.75Å; V334-E336 VanDerWaalsContact C-N 3.3Å; V334-E336 PolarHBondContact O-N 3.28Å; E336-N340 VanDerWaalsContact CG-ND2 3.29Å; E336-N340 WeakPolarHBondContact CG-ND2 3.42Å; E336-N340 WeakPolarHBondContact O-CB 3.13Å; E336-N340 PolarHBondContact O-N 3.45Å; E336-N340 PolarHBondContact O-ND2 3.27Å; E336-N340 VanDerWaalsContact O-ND2 3.09Å
337	Q	90.5	Very high	78.2	Confident	52 Å²	52	61.9 Å²	61.9	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-41.2	176.5	-67.8	-61.3	-48.3	0	0	112.6	Y88 F292 P298 A333 V334 K335 H341	Y88-Q337 HydrophobicContact CE2-CB 4.07Å; F292-Q337 HydrophobicContact CE2-CG 4.45Å; F292-Q337 HydrophobicContact CZ-CG 3.96Å; P298-Q337 HydrophobicContact CG-CB 3.92Å; P298-Q337 HydrophobicContact CG-CG 3.97Å; A333-Q337 WeakPolarHBondContact O-CG 3.33Å; A333-Q337 PolarHBondContact O-N 3.46Å; V334-Q337 WeakPolarHBondContact O-CB 3.49Å; V334-Q337 PolarHBondContact O-N 2.85Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.05Å; Q337-H341 PolarHBondContact O-N 3.44Å
338	V	89.4	Confident	76.1	Confident	2 Å²	2	68 Å²	68	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-47.6	176.8	177.6	0	0	0	0	111.2	E87 Y88 I303 Y306 V334 K335 A342	E87-V338 HydrophobicContact CB-CG1 3.66Å; Y88-V338 HydrophobicContact CD2-CG2 4.05Å; Y88-V338 HydrophobicContact CG-CG2 4.49Å; I303-V338 HydrophobicContact CD1-CG2 3.88Å; Y306-V338 HydrophobicContact CD1-CG2 4.08Å; Y306-V338 HydrophobicContact CE1-CB 4.38Å; Y306-V338 HydrophobicContact CE1-CG1 4.42Å; Y306-V338 HydrophobicContact CE1-CG2 3.87Å; V334-V338 HydrophobicContact CG1-CG2 4.18Å; V334-V338 WeakPolarHBondContact O-CG2 3.32Å; V334-V338 PolarHBondContact O-N 3.16Å; K335-V338 PolarHBondContact O-N 3.18Å; V338-A342 PolarHBondContact O-N 3.1Å
339	E	83.7	Confident	74.4	Confident	117 Å²	117	74.3 Å²	74.3	55%	0.547	39%	0.39	S	S	.	.	H	α-helix	trans	-67.9	-39.4	-179.8	-70	176.6	-178.3	0	0	112.4	K335 A342	K335-E339 VanDerWaalsContact CE-OE1 3.24Å; K335-E339 WeakPolarHBondContact CE-OE1 3.47Å; K335-E339 WeakPolarHBondContact O-CG 3.25Å; K335-E339 PolarHBondContact O-N 3.43Å; E339-A342 PolarHBondContact O-N 3.01Å
340	N	77	Confident	72.9	Confident	81 Å²	81	74.4 Å²	74.4	43%	0.433	39%	0.385	S	S	.	.	H	α-helix	trans	-67.9	-38	179.5	-78.2	-30.4	0	0	0	113.1	E336	E336-N340 VanDerWaalsContact CG-ND2 3.29Å; E336-N340 WeakPolarHBondContact CG-ND2 3.42Å; E336-N340 WeakPolarHBondContact O-CB 3.13Å; E336-N340 PolarHBondContact O-N 3.45Å; E336-N340 PolarHBondContact O-ND2 3.27Å; E336-N340 VanDerWaalsContact O-ND2 3.09Å
341	H	69.3	Low	71.3	Confident	70 Å²	70	76.9 Å²	76.9	32%	0.324	40%	0.404	S	S	.	.	H	α-helix	trans	-70.4	-34.3	176.2	-90.9	54.9	0	0	0	112.6	Y88 Q337 G343	Y88-H341 WeakPolarHBondContact O-CB 3.4Å; Q337-H341 PolarHBondContact O-N 3.44Å; H341-G343 PolarHBondContact O-N 2.99Å
342	A	55	Low	70	Confident	57 Å²	57	79 Å²	79	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-29.8	177.6	0	0	0	0	0	113.4	V338 E339	V338-A342 PolarHBondContact O-N 3.1Å; E339-A342 PolarHBondContact O-N 3.01Å
343	G	43.5	Very low	69	Low	35 Å²	35	81.4 Å²	81.4	36%	0.361	43%	0.426	S	S	.	.	H	α-helix	trans	-92.5	-25.6	-176.3	0	0	0	0	0	116.3	H341 T345 V347	H341-G343 PolarHBondContact O-N 2.99Å; G343-T345 PolarHBondContact O-N 3.29Å; G343-V347 WeakPolarHBondContact O-CG2 3.36Å; G343-V347 PolarHBondContact O-N 2.98Å
344	M	44.8	Very low	68.2	Low	115 Å²	115	84.1 Å²	84.1	57%	0.567	44%	0.439	S	S	*	.	H	α-helix	trans	-68.7	-36.5	-164.1	-147.3	-176.4	-59.8	0	0	113.7	K346 F348	M344-K346 PolarHBondContact O-N 2.61Å; M344-F348 WeakPolarHBondContact O-CB 3.3Å; M344-F348 PolarHBondContact O-N 3Å
345	T	42.2	Very low	67.3	Low	96 Å²	96	86.8 Å²	86.8	59%	0.589	46%	0.458	S	S	*	.	H	α-helix	trans	-70.1	-34.2	-174.8	-31.3	0	0	0	0	112.9	G343	G343-T345 PolarHBondContact O-N 3.29Å
346	K	45.9	Very low	66.7	Low	163 Å²	163	89.3 Å²	89.3	71%	0.709	47%	0.472	S	S	*	.	H	α-helix	trans	-81.1	-41.1	179.3	-79.5	-176.3	177	178	0	112.7	M344 C350	M344-K346 PolarHBondContact O-N 2.61Å; K346-C350 WeakPolarHBondContact O-CB 3.35Å; K346-C350 PolarHBondContact O-N 2.86Å; K346-C350 PolarHBondContact O-SG 2.95Å
347	V	50.8	Low	66.3	Low	104 Å²	104	86.5 Å²	86.5	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-74.9	-39.7	-173.5	179.7	0	0	0	0	111.9	G343 S351	G343-V347 WeakPolarHBondContact O-CG2 3.36Å; G343-V347 PolarHBondContact O-N 2.98Å; V347-S351 WeakPolarHBondContact O-CB 3.4Å; V347-S351 PolarHBondContact O-N 3.12Å
348	F	52.7	Low	65.8	Low	129 Å²	129	87.3 Å²	87.3	57%	0.566	48%	0.475	S	S	*	.	H	α-helix	trans	-65	-49.8	-178.1	-176.3	-100.6	0	0	0	112.4	M344 S351 V352	M344-F348 WeakPolarHBondContact O-CB 3.3Å; M344-F348 PolarHBondContact O-N 3Å; F348-S351 WeakPolarHBondContact O-CB 3.19Å; F348-S351 PolarHBondContact O-N 2.84Å; F348-V352 HydrophobicContact CD1-CG2 4.31Å; F348-V352 HydrophobicContact CE1-CG2 3.96Å; F348-V352 HydrophobicContact CE2-CG2 4.38Å; F348-V352 HydrophobicContact CZ-CG2 4.01Å; F348-V352 WeakPolarHBondContact O-CG2 3.34Å; F348-V352 PolarHBondContact O-N 3.1Å
349	W	58	Low	65.4	Low	174 Å²	174	92.5 Å²	92.5	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-68.5	-35.6	179.7	-78.3	108.3	0	0	0	113.1	S351 F353	W349-S351 VanDerWaalsContact C-N 3.34Å; W349-F353 VanDerWaalsContact O-CB 3.26Å; W349-F353 WeakPolarHBondContact O-CB 3.47Å; W349-F353 PolarHBondContact O-N 3.49Å
350	C	62.9	Low	65.3	Low	81 Å²	81	91.9 Å²	91.9	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-43.8	170.8	-72.6	0	0	0	0	111.2	K346 F353 V354	K346-C350 WeakPolarHBondContact O-CB 3.35Å; K346-C350 PolarHBondContact O-N 2.86Å; K346-C350 PolarHBondContact O-SG 2.95Å; C350-F353 PolarHBondContact O-N 2.83Å; C350-V354 VanDerWaalsContact O-CB 3.3Å; C350-V354 WeakPolarHBondContact O-CB 3.31Å; C350-V354 WeakPolarHBondContact O-CG2 3.47Å; C350-V354 PolarHBondContact O-N 3.2Å
351	S	63.8	Low	65.5	Low	65 Å²	65	91.2 Å²	91.2	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-44.2	179.1	-173.9	0	0	0	0	112.6	V347 F348 W349 S355	V347-S351 WeakPolarHBondContact O-CB 3.4Å; V347-S351 PolarHBondContact O-N 3.12Å; F348-S351 WeakPolarHBondContact O-CB 3.19Å; F348-S351 PolarHBondContact O-N 2.84Å; W349-S351 VanDerWaalsContact C-N 3.34Å; S351-S355 VanDerWaalsContact O-CB 3.29Å; S351-S355 WeakPolarHBondContact O-CB 3.25Å; S351-S355 PolarHBondContact O-N 3.21Å; S351-S355 PolarHBondContact O-OG 3.33Å
352	V	69.3	Low	65.8	Low	44 Å²	44	89.6 Å²	89.6	27%	0.267	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-46	176.8	172.6	0	0	0	0	110.9	F348 S355 I356	F348-V352 HydrophobicContact CD1-CG2 4.31Å; F348-V352 HydrophobicContact CE1-CG2 3.96Å; F348-V352 HydrophobicContact CE2-CG2 4.38Å; F348-V352 HydrophobicContact CZ-CG2 4.01Å; F348-V352 WeakPolarHBondContact O-CG2 3.34Å; F348-V352 PolarHBondContact O-N 3.1Å; V352-S355 PolarHBondContact O-N 2.88Å; V352-I356 HydrophobicContact CG1-CD1 3.73Å; V352-I356 HydrophobicContact CG1-CG1 4.37Å; V352-I356 WeakPolarHBondContact O-CG1 3.46Å; V352-I356 PolarHBondContact O-N 3.3Å
353	F	74.8	Confident	67	Low	141 Å²	141	90.8 Å²	90.8	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-62.9	-46.4	178.2	-176.6	-100.1	0	0	0	111.7	W349 C350 S355 I356 V357	W349-F353 VanDerWaalsContact O-CB 3.26Å; W349-F353 WeakPolarHBondContact O-CB 3.47Å; W349-F353 PolarHBondContact O-N 3.49Å; C350-F353 PolarHBondContact O-N 2.83Å; F353-S355 VanDerWaalsContact C-N 3.28Å; F353-S355 PolarHBondContact O-N 2.94Å; F353-I356 PolarHBondContact O-N 3.1Å; F353-V357 HydrophobicContact CD1-CG2 4.11Å; F353-V357 HydrophobicContact CD2-CG2 4.36Å; F353-V357 HydrophobicContact CE1-CG2 3.76Å; F353-V357 HydrophobicContact CE2-CG2 4.03Å; F353-V357 HydrophobicContact CG-CG2 4.4Å; F353-V357 HydrophobicContact CZ-CG2 3.72Å; F353-V357 WeakPolarHBondContact O-CB 3.25Å; F353-V357 VanDerWaalsContact O-CG2 3.25Å; F353-V357 WeakPolarHBondContact O-CG2 3.37Å; F353-V357 PolarHBondContact O-N 2.71Å
354	V	76.9	Confident	68.7	Low	86 Å²	86	95.5 Å²	95.5	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-59.8	-40	175.2	170	0	0	0	0	110.9	C350 S358	C350-V354 VanDerWaalsContact O-CB 3.3Å; C350-V354 WeakPolarHBondContact O-CB 3.31Å; C350-V354 WeakPolarHBondContact O-CG2 3.47Å; C350-V354 PolarHBondContact O-N 3.2Å; V354-S358 WeakPolarHBondContact O-CB 3.48Å; V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 PolarHBondContact O-OG 3.48Å
355	S	78.5	Confident	70.2	Confident	57 Å²	57	94.9 Å²	94.9	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-66.9	-47.1	178.1	-60.6	0	0	0	0	112.2	S351 V352 F353 S358 I359	S351-S355 VanDerWaalsContact O-CB 3.29Å; S351-S355 WeakPolarHBondContact O-CB 3.25Å; S351-S355 PolarHBondContact O-N 3.21Å; S351-S355 PolarHBondContact O-OG 3.33Å; V352-S355 PolarHBondContact O-N 2.88Å; F353-S355 VanDerWaalsContact C-N 3.28Å; F353-S355 PolarHBondContact O-N 2.94Å; S355-S358 PolarHBondContact O-N 3.45Å; S355-I359 WeakPolarHBondContact O-CB 3.23Å; S355-I359 VanDerWaalsContact O-CG1 3.23Å; S355-I359 WeakPolarHBondContact O-CG1 3.35Å; S355-I359 PolarHBondContact O-N 3.06Å
356	I	80.6	Confident	71.8	Confident	90 Å²	90	94.3 Å²	94.3	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-46.4	177.9	-68.6	170.6	0	0	0	110.7	V352 F353 S358 I359 L360	V352-I356 HydrophobicContact CG1-CD1 3.73Å; V352-I356 HydrophobicContact CG1-CG1 4.37Å; V352-I356 WeakPolarHBondContact O-CG1 3.46Å; V352-I356 PolarHBondContact O-N 3.3Å; F353-I356 PolarHBondContact O-N 3.1Å; I356-S358 VanDerWaalsContact C-N 3.32Å; I356-S358 PolarHBondContact O-N 3.35Å; I356-I359 PolarHBondContact O-N 2.97Å; I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; I356-L360 WeakPolarHBondContact O-CB 3.35Å; I356-L360 WeakPolarHBondContact O-CG 3.41Å; I356-L360 PolarHBondContact O-N 3.05Å
357	V	82.3	Confident	73.2	Confident	57 Å²	57	89.8 Å²	89.8	35%	0.345	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.7	172.4	0	0	0	0	110.4	F353 I359 L360 V361	F353-V357 HydrophobicContact CD1-CG2 4.11Å; F353-V357 HydrophobicContact CD2-CG2 4.36Å; F353-V357 HydrophobicContact CE1-CG2 3.76Å; F353-V357 HydrophobicContact CE2-CG2 4.03Å; F353-V357 HydrophobicContact CG-CG2 4.4Å; F353-V357 HydrophobicContact CZ-CG2 3.72Å; F353-V357 WeakPolarHBondContact O-CB 3.25Å; F353-V357 VanDerWaalsContact O-CG2 3.25Å; F353-V357 WeakPolarHBondContact O-CG2 3.37Å; F353-V357 PolarHBondContact O-N 2.71Å; V357-I359 PolarHBondContact O-N 2.77Å; V357-L360 PolarHBondContact O-N 2.73Å; V357-V361 HydrophobicContact CG1-CG2 4.16Å; V357-V361 VanDerWaalsContact O-CB 3.31Å; V357-V361 WeakPolarHBondContact O-CB 3.4Å; V357-V361 WeakPolarHBondContact O-CG2 3.5Å; V357-V361 PolarHBondContact O-N 3.2Å
358	S	80.1	Confident	74.2	Confident	70 Å²	70	92.7 Å²	92.7	49%	0.49	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-41.1	177.1	-61.5	0	0	0	0	112.3	V354 S355 I356 G362	V354-S358 WeakPolarHBondContact O-CB 3.48Å; V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 PolarHBondContact O-OG 3.48Å; S355-S358 PolarHBondContact O-N 3.45Å; I356-S358 VanDerWaalsContact C-N 3.32Å; I356-S358 PolarHBondContact O-N 3.35Å; S358-G362 WeakPolarHBondContact O-CA 3.39Å; S358-G362 PolarHBondContact O-N 3.46Å
359	I	81.8	Confident	75.1	Confident	111 Å²	111	90.1 Å²	90.1	57%	0.569	49%	0.491	S	S	*	.	H	α-helix	trans	-65.4	-47.8	175.9	-69.2	163.9	0	0	0	110.4	S355 I356 V357 G362 C363	S355-I359 WeakPolarHBondContact O-CB 3.23Å; S355-I359 VanDerWaalsContact O-CG1 3.23Å; S355-I359 WeakPolarHBondContact O-CG1 3.35Å; S355-I359 PolarHBondContact O-N 3.06Å; I356-I359 PolarHBondContact O-N 2.97Å; V357-I359 PolarHBondContact O-N 2.77Å; I359-G362 CarbonylContact O-C 3.38Å; I359-G362 WeakPolarHBondContact O-CA 3.41Å; I359-G362 PolarHBondContact O-N 3.32Å; I359-C363 WeakPolarHBondContact O-CB 3.46Å; I359-C363 PolarHBondContact O-N 2.91Å; I359-C363 PolarHBondContact O-SG 2.95Å
360	L	81.9	Confident	76.1	Confident	104 Å²	104	85.8 Å²	85.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-46.3	179.5	-73.5	170.2	0	0	0	111.9	I356 V357 G362 C363 L364	I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; I356-L360 WeakPolarHBondContact O-CB 3.35Å; I356-L360 WeakPolarHBondContact O-CG 3.41Å; I356-L360 PolarHBondContact O-N 3.05Å; V357-L360 PolarHBondContact O-N 2.73Å; L360-G362 VanDerWaalsContact C-N 3.31Å; L360-G362 PolarHBondContact O-N 2.87Å; L360-C363 PolarHBondContact O-N 2.65Å; L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.93Å
361	V	80.4	Confident	77	Confident	67 Å²	67	87.2 Å²	87.2	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-42.7	174.5	171.6	0	0	0	0	110.2	V357 L364 L365	V357-V361 HydrophobicContact CG1-CG2 4.16Å; V357-V361 VanDerWaalsContact O-CB 3.31Å; V357-V361 WeakPolarHBondContact O-CB 3.4Å; V357-V361 WeakPolarHBondContact O-CG2 3.5Å; V357-V361 PolarHBondContact O-N 3.2Å; V361-L364 PolarHBondContact O-N 3.11Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.29Å; V361-L365 WeakPolarHBondContact O-CB 3.49Å; V361-L365 VanDerWaalsContact O-CG 3.31Å; V361-L365 WeakPolarHBondContact O-CG 3.39Å; V361-L365 PolarHBondContact O-N 3.11Å
362	G	76.8	Confident	77.9	Confident	35 Å²	35	87.2 Å²	87.2	36%	0.361	48%	0.478	S	S	.	.	H	α-helix	trans	-55	-54.3	173	0	0	0	0	0	111.9	S358 I359 L360 L364 L365 L366	S358-G362 WeakPolarHBondContact O-CA 3.39Å; S358-G362 PolarHBondContact O-N 3.46Å; I359-G362 CarbonylContact O-C 3.38Å; I359-G362 WeakPolarHBondContact O-CA 3.41Å; I359-G362 PolarHBondContact O-N 3.32Å; L360-G362 VanDerWaalsContact C-N 3.31Å; L360-G362 PolarHBondContact O-N 2.87Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 2.98Å; G362-L365 PolarHBondContact O-N 2.93Å; G362-L366 VanDerWaalsContact O-CB 3.24Å; G362-L366 WeakPolarHBondContact O-CB 3.22Å; G362-L366 PolarHBondContact O-N 2.88Å
363	C	78.4	Confident	78.7	Confident	83 Å²	83	86.2 Å²	86.2	56%	0.561	47%	0.472	S	S	*	.	H	α-helix	trans	-60	-36.1	178.7	-70.1	0	0	0	0	113.2	I359 L360 P367	I359-C363 WeakPolarHBondContact O-CB 3.46Å; I359-C363 PolarHBondContact O-N 2.91Å; I359-C363 PolarHBondContact O-SG 2.95Å; L360-C363 PolarHBondContact O-N 2.65Å; C363-P367 VanDerWaalsContact O-CD 3.27Å; C363-P367 WeakPolarHBondContact O-CD 3.31Å
364	L	80.2	Confident	79.3	Confident	134 Å²	134	85 Å²	85	70%	0.702	48%	0.478	S	S	*	.	H	α-helix	trans	-71.9	-36.2	177	-73	169.9	0	0	0	112.9	L360 V361 G362	L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.93Å; V361-L364 PolarHBondContact O-N 3.11Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 2.98Å
365	L	76.9	Confident	80	Confident	101 Å²	101	84.4 Å²	84.4	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-88	-24.9	-177.8	-64.9	178.4	0	0	0	113	V361 G362 K368 W369	V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.29Å; V361-L365 WeakPolarHBondContact O-CB 3.49Å; V361-L365 VanDerWaalsContact O-CG 3.31Å; V361-L365 WeakPolarHBondContact O-CG 3.39Å; V361-L365 PolarHBondContact O-N 3.11Å; G362-L365 PolarHBondContact O-N 2.93Å; L365-K368 PolarHBondContact O-N 2.88Å; L365-W369 WeakPolarHBondContact O-CB 3.46Å; L365-W369 PolarHBondContact O-N 3.24Å
366	L	75.6	Confident	80.5	Confident	84 Å²	84	82.5 Å²	82.5	44%	0.44	46%	0.458	S	S	.	.	H	α-helix	trans	-55.5	-46	-174.6	-163.3	78.8	0	0	0	113.2	G362 K368 W369 L370	G362-L366 VanDerWaalsContact O-CB 3.24Å; G362-L366 WeakPolarHBondContact O-CB 3.22Å; G362-L366 PolarHBondContact O-N 2.88Å; L366-K368 PolarHBondContact O-N 2.87Å; L366-W369 HydrophobicContact CD1-CE3 3.91Å; L366-W369 HydrophobicContact CD1-CZ3 4.22Å; L366-W369 CarbonylContact O-C 3.58Å; L366-W369 PolarHBondContact O-N 3.3Å; L366-W369 VanDerWaalsContact O-N 3.14Å; L366-L370 HydrophobicContact CD2-CD1 4.13Å; L366-L370 HydrophobicContact CG-CD1 3.84Å; L366-L370 HydrophobicContact CG-CG 4.25Å; L366-L370 WeakPolarHBondContact O-CB 3.31Å; L366-L370 VanDerWaalsContact O-CG 3.24Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 3.47Å
367	P	74.2	Confident	80.8	Confident	69 Å²	69	87.3 Å²	87.3	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-42.4	179.9	-22.2	34.3	0	0	0	112.7	C363 W369 L370 N371	C363-P367 VanDerWaalsContact O-CD 3.27Å; C363-P367 WeakPolarHBondContact O-CD 3.31Å; P367-W369 VanDerWaalsContact C-N 3.28Å; P367-W369 PolarHBondContact O-N 2.94Å; P367-L370 PolarHBondContact O-N 2.75Å; P367-N371 PolarHBondContact O-N 3.5Å; P367-N371 PolarHBondContact O-ND2 2.7Å
368	K	72.7	Confident	81	Confident	164 Å²	164	87.5 Å²	87.5	71%	0.713	48%	0.477	S	S	*	.	H	α-helix	trans	-65.6	-33.7	174.8	-71.2	-174.6	176.5	-178.4	0	112	L365 L366	L365-K368 PolarHBondContact O-N 2.88Å; L366-K368 PolarHBondContact O-N 2.87Å
369	W	71.9	Confident	81.5	Confident	75 Å²	75	88.6 Å²	88.6	28%	0.284	49%	0.485	S	S	.	.	H	α-helix	trans	-77.8	-22.6	176.5	-171	61.8	0	0	0	112.8	L365 L366 P367 P609 W612 R741	L365-W369 WeakPolarHBondContact O-CB 3.46Å; L365-W369 PolarHBondContact O-N 3.24Å; L366-W369 HydrophobicContact CD1-CE3 3.91Å; L366-W369 HydrophobicContact CD1-CZ3 4.22Å; L366-W369 CarbonylContact O-C 3.58Å; L366-W369 PolarHBondContact O-N 3.3Å; L366-W369 VanDerWaalsContact O-N 3.14Å; P367-W369 VanDerWaalsContact C-N 3.28Å; P367-W369 PolarHBondContact O-N 2.94Å; W369-P609 HydrophobicContact CD2-CB 3.97Å; W369-P609 HydrophobicContact CD2-CG 3.48Å; W369-P609 VanDerWaalsContact CD2-CG 3.48Å; W369-P609 HydrophobicContact CE3-CB 3.48Å; W369-P609 VanDerWaalsContact CE3-CB 3.48Å; W369-P609 HydrophobicContact CE3-CG 3.53Å; W369-P609 HydrophobicContact CG-CG 4.07Å; W369-P609 HydrophobicContact CH2-CB 3.65Å; W369-P609 HydrophobicContact CH2-CG 4.07Å; W369-P609 HydrophobicContact CZ2-CB 4.01Å; W369-P609 HydrophobicContact CZ2-CG 3.93Å; W369-P609 HydrophobicContact CZ3-CB 3.32Å; W369-P609 HydrophobicContact CZ3-CG 3.84Å; W369-P609 WeakPolarHBondContact O-CG 3.36Å; W369-W612 HydrophobicContact CH2-CB 4.28Å; W369-W612 AromaticContact CH2-CD2 3.97Å; W369-W612 HydrophobicContact CH2-CD2 3.97Å; W369-W612 AromaticContact CH2-CE3 3.74Å; W369-W612 HydrophobicContact CH2-CE3 3.74Å; W369-W612 HydrophobicContact CH2-CG 4.22Å; W369-W612 HydrophobicContact CH2-CZ3 4.31Å; W369-W612 HydrophobicContact CZ2-CD2 4.41Å; W369-W612 AromaticContact CZ2-CE3 3.78Å; W369-W612 HydrophobicContact CZ2-CE3 3.78Å; W369-W612 AromaticContact CZ2-CZ3 3.94Å; W369-W612 HydrophobicContact CZ2-CZ3 3.94Å; W369-R741 VanDerWaalsContact C-NH2 3.27Å; W369-R741 VanDerWaalsContact O-CZ 3.3Å; W369-R741 PolarHBondContact O-NH2 3.41Å
370	L	77.8	Confident	82	Confident	84 Å²	84	88.7 Å²	88.7	44%	0.44	49%	0.487	S	S	.	.	H	α-helix	trans	-82.8	-35.1	175	-74.6	168.3	0	0	0	112.7	L366 P367 P609	L366-L370 HydrophobicContact CD2-CD1 4.13Å; L366-L370 HydrophobicContact CG-CD1 3.84Å; L366-L370 HydrophobicContact CG-CG 4.25Å; L366-L370 WeakPolarHBondContact O-CB 3.31Å; L366-L370 VanDerWaalsContact O-CG 3.24Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 3.47Å; P367-L370 PolarHBondContact O-N 2.75Å; L370-P609 HydrophobicContact CD2-CB 3.68Å; L370-P609 HydrophobicContact CD2-CG 4.15Å
371	N	82.7	Confident	82.5	Confident	110 Å²	110	84.8 Å²	84.8	59%	0.588	47%	0.472	S	S	*	.	S	Bend	trans	-76.7	139	-179.7	-68.7	-19.2	0	0	0	111.9	P367 R741	P367-N371 PolarHBondContact O-N 3.5Å; P367-N371 PolarHBondContact O-ND2 2.7Å; N371-R741 PolarHBondContact O-NH2 2.85Å
372	D	83	Confident	83.3	Confident	66 Å²	66	83.2 Å²	83.2	35%	0.353	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-59.5	134.8	173.6	-72.1	-30.3	0	0	0	110	P743	D372-P743 HydrophobicContact CB-CG 3.92Å; D372-P743 WeakPolarHBondContact OD2-CG 3.28Å
373	P	85.1	Confident	84.3	Confident	23 Å²	23	82.2 Å²	82.2	15%	0.149	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-71.4	148.4	-176	31.9	-36.7	0	0	0	111	V738 R741 A742	P373-V738 HydrophobicContact CB-CG1 4.07Å; P373-V738 HydrophobicContact CG-CG1 4.21Å; P373-R741 HydrophobicContact CG-CB 4.12Å; P373-R741 HydrophobicContact CG-CG 4.21Å; P373-A742 HydrophobicContact CG-CB 4.32Å
374	P	86.7	Confident	85.2	Confident	114 Å²	114	78.3 Å²	78.3	74%	0.74	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-64.7	143.7	174.8	29.1	-34.5	0	0	0	110.1	V738	P374-V738 WeakPolarHBondContact O-CG1 3.37Å
375	L	92.4	Very high	85.9	Confident	75 Å²	75	78.6 Å²	78.6	39%	0.393	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.8	146	174.2	-67	171.8	0	0	0	110.3	Q587 L588 L739 A742	L375-Q587 HydrophobicContact CD1-CB 4.48Å; L375-Q587 WeakPolarHBondContact CD1-O 3.18Å; L375-Q587 HydrophobicContact CD2-CB 3.98Å; L375-L588 HydrophobicContact CB-CD2 4.22Å; L375-L588 HydrophobicContact CD1-CD2 4.16Å; L375-L588 HydrophobicContact CD2-CD2 4.23Å; L375-L588 HydrophobicContact CG-CD2 4.44Å; L375-L739 HydrophobicContact CD2-CD2 4.19Å; L375-A742 HydrophobicContact CD2-CB 3.64Å
376	P	90	Very high	86.7	Confident	17 Å²	17	76.2 Å²	76.2	11%	0.11	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-65.2	147.3	177.7	28.9	-35.4	0	0	0	110.9	I378 L552 N735 L739	P376-I378 PolarHBondContact O-N 3.19Å; P376-L552 HydrophobicContact CG-CD2 4.4Å; P376-N735 HydrophobicContact CB-CB 4Å; P376-N735 HydrophobicContact CG-CB 4.15Å; P376-L739 HydrophobicContact CG-CD1 4.42Å; P376-L739 HydrophobicContact CG-CD2 3.97Å; P376-L739 HydrophobicContact CG-CG 4.2Å
377	E	86.6	Confident	87.6	Confident	190 Å²	190	77.5 Å²	77.5	89%	0.888	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-61.2	133.7	168.3	-71.7	-178.1	-177.2	0	0	110.1
378	I	85.1	Confident	88.7	Confident	61 Å²	61	82.8 Å²	82.8	31%	0.313	44%	0.439	S	S	.	.			trans	-107.8	123.5	-179.9	-45.1	164	0	0	0	107.8	P376 R556 L588 Y589	P376-I378 PolarHBondContact O-N 3.19Å; I378-R556 HydrophobicContact CG2-CG 4.41Å; I378-L588 HydrophobicContact CD1-CB 3.75Å; I378-L588 HydrophobicContact CD1-CD1 3.58Å; I378-L588 HydrophobicContact CD1-CD2 3.8Å; I378-L588 HydrophobicContact CD1-CG 3.84Å; I378-L588 HydrophobicContact CG1-CD1 4.09Å; I378-L588 HydrophobicContact CG1-CD2 4.23Å; I378-Y589 HydrophobicContact CD1-CE1 4.39Å
379	S	90.3	Very high	89.7	Confident	93 Å²	93	81.4 Å²	81.4	65%	0.65	43%	0.433	S	S	*	.			trans	-122.3	155.1	166.6	50	0	0	0	0	110.1	R556	S379-R556 PolarHBondContact O-NE 2.71Å; S379-R556 PolarHBondContact O-NH1 3.42Å
380	D	92.9	Very high	90.9	Very high	114 Å²	114	86.4 Å²	86.4	61%	0.61	45%	0.451	S	S	*	.			trans	-61.9	135.3	175.4	-78.7	2.3	0	0	0	111.1	K560	D380-K560 WeakPolarHBondContact OD1-CE 3.46Å; D380-K560 IonicContact OD1-NZ 3.34Å; D380-K560 PolarHBondContact OD1-NZ 3.28Å; D380-K560 IonicContact OD2-NZ 3.98Å; D380-K560 PolarHBondContact OD2-NZ 3Å
381	G	93	Very high	91.8	Very high	22 Å²	22	84 Å²	84	23%	0.227	44%	0.439	C	S	.	.			trans	-95.2	175.9	171.9	0	0	0	0	0	112.2	E468	G381-E468 VanDerWaalsContact CA-OE2 3.3Å; G381-E468 WeakPolarHBondContact CA-OE2 3.19Å; G381-E468 PolarHBondContact N-OE2 3.26Å; G381-E468 WeakPolarHBondContact O-CB 3.3Å; G381-E468 WeakPolarHBondContact O-CG 3.47Å
382	Y	97.1	Very high	92.5	Very high	34 Å²	34	83.1 Å²	83.1	13%	0.133	43%	0.434	C	S	.	.			trans	-144.7	112.2	164.4	-179.1	-89.8	0	0	0	108.7	T387 W388 K389 E468 K546	Y382-T387 WeakPolarHBondContact CE1-O 3.41Å; Y382-T387 PolarHBondContact OH-O 3.04Å; Y382-W388 HydrophobicContact CD2-CB 4.4Å; Y382-W388 AromaticContact CD2-CD1 3.54Å; Y382-W388 HydrophobicContact CD2-CG 4.07Å; Y382-W388 HydrophobicContact CG-CB 4.34Å; Y382-W388 AromaticContact CG-CD1 3.76Å; Y382-W388 HydrophobicContact CG-CG 4.33Å; Y382-K389 HydrophobicContact CE2-CB 4.45Å; Y382-K389 VanDerWaalsContact CE2-N 3.33Å; Y382-K389 WeakPolarHBondContact CE2-O 3.13Å; Y382-E468 WeakPolarHBondContact CA-O 3.45Å; Y382-K546 VanDerWaalsContact O-CD 3.32Å; Y382-K546 WeakPolarHBondContact O-CD 3.44Å
383	F	97.9	Very high	93.2	Very high	13 Å²	13	85 Å²	85	6%	0.057	44%	0.441	C	S	.	.			trans	-111.2	0.6	-171.8	-56.1	-70.5	0	0	0	113.3	E468 L470 P544 K545 K546 C549 A553 I557	F383-E468 HydrophobicContact CD2-CB 4.26Å; F383-E468 WeakPolarHBondContact CE2-OE2 3.11Å; F383-E468 PolarHBondContact N-O 2.88Å; F383-L470 HydrophobicContact CB-CD1 3.81Å; F383-L470 HydrophobicContact CB-CD2 3.92Å; F383-L470 HydrophobicContact CB-CG 3.85Å; F383-L470 HydrophobicContact CD2-CD1 4.39Å; F383-L470 HydrophobicContact CG-CD1 4.47Å; F383-P544 HydrophobicContact CB-CB 4.22Å; F383-K545 PolarHBondContact O-N 3.26Å; F383-K546 HydrophobicContact CD1-CB 4.37Å; F383-C549 HydrophobicContact CB-CB 4.48Å; F383-C549 HydrophobicContact CD1-CB 3.51Å; F383-C549 HydrophobicContact CD2-CB 4.27Å; F383-C549 HydrophobicContact CE1-CB 3.65Å; F383-C549 HydrophobicContact CE2-CB 4.39Å; F383-C549 HydrophobicContact CG-CB 3.83Å; F383-C549 HydrophobicContact CZ-CB 4.09Å; F383-A553 HydrophobicContact CE2-CB 3.8Å; F383-A553 HydrophobicContact CZ-CB 3.65Å; F383-I557 HydrophobicContact CD2-CD1 4.29Å; F383-I557 HydrophobicContact CE2-CD1 4.32Å
384	G	96.8	Very high	93.8	Very high	2 Å²	2	89.1 Å²	89.1	2%	0.021	46%	0.461	C	S	.	.	S	Bend	trans	-65.8	170.1	169.9	0	0	0	0	0	113.2	G469 K546	G384-G469 WeakPolarHBondContact CA-O 3.3Å; G384-G469 PolarHBondContact N-O 3.46Å; G384-K546 WeakPolarHBondContact O-CE 3.17Å
385	E	94.7	Very high	94.4	Very high	139 Å²	139	85.9 Å²	85.9	65%	0.65	44%	0.439	S	S	*	.	S	Bend	trans	-73.8	145.3	177.4	-169	164.8	-171.8	0	0	112.1	K545	E385-K545 HydrophobicContact CB-CG 4.17Å
386	G	94.7	Very high	94.7	Very high	51 Å²	51	84 Å²	84	53%	0.526	44%	0.435	S	S	.	.	S	Bend	trans	71.7	-149.1	176.1	0	0	0	0	0	114.4	K546	G386-K546 WeakPolarHBondContact O-CE 3.46Å; G386-K546 PolarHBondContact O-NZ 2.88Å
387	T	94.1	Very high	95.1	Very high	112 Å²	112	88.5 Å²	88.5	69%	0.687	46%	0.464	S	S	*	.	S	Bend	trans	-77.8	157.1	-179.5	56.2	0	0	0	0	111.4	Y382 K389	Y382-T387 WeakPolarHBondContact CE1-O 3.41Å; Y382-T387 PolarHBondContact OH-O 3.04Å; T387-K389 PolarHBondContact O-N 3.42Å
388	W	96.4	Very high	95.6	Very high	180 Å²	180	81.9 Å²	81.9	68%	0.682	43%	0.432	S	S	*	.			trans	-52.7	138.6	176.6	-177	95.9	0	0	0	111.7	Y382 R390	Y382-W388 HydrophobicContact CD2-CB 4.4Å; Y382-W388 AromaticContact CD2-CD1 3.54Å; Y382-W388 HydrophobicContact CD2-CG 4.07Å; Y382-W388 HydrophobicContact CG-CB 4.34Å; Y382-W388 AromaticContact CG-CD1 3.76Å; Y382-W388 HydrophobicContact CG-CG 4.33Å; W388-R390 HydrophobicContact CH2-CB 4Å; W388-R390 HydrophobicContact CZ3-CB 4.48Å
389	K	94.9	Very high	96.3	Very high	134 Å²	134	87.2 Å²	87.2	58%	0.583	45%	0.449	S	S	*	.			trans	-136.6	152.1	172.1	-64.2	178.1	-175	175.4	0	107.9	Y382 T387	Y382-K389 HydrophobicContact CE2-CB 4.45Å; Y382-K389 VanDerWaalsContact CE2-N 3.33Å; Y382-K389 WeakPolarHBondContact CE2-O 3.13Å; T387-K389 PolarHBondContact O-N 3.42Å
390	R	96.4	Very high	96.6	Very high	180 Å²	180	82.9 Å²	82.9	68%	0.679	42%	0.418	S	S	*	.			trans	-67.3	135.1	172.7	-175.7	177.4	179.7	175.2	0.1	109.5	W388 E393	W388-R390 HydrophobicContact CH2-CB 4Å; W388-R390 HydrophobicContact CZ3-CB 4.48Å; R390-E393 IonicContact CZ-OE1 3.78Å; R390-E393 IonicContact NE-OE1 3.75Å; R390-E393 IonicContact NH2-OE1 2.93Å; R390-E393 PolarHBondContact NH2-OE1 2.71Å
391	D	97.3	Very high	96.9	Very high	35 Å²	35	81.9 Å²	81.9	19%	0.187	42%	0.42	C	S	.	.			trans	-64.9	140.9	176.3	-63.3	-34.8	0	0	0	111.5	E393 E466 I467 E468 G469	D391-E393 PolarHBondContact O-N 3.47Å; D391-E466 HydrophobicContact CB-CB 3.94Å; D391-I467 WeakPolarHBondContact OD2-CA 3.48Å; D391-E468 VanDerWaalsContact CG-N 3.34Å; D391-E468 PolarHBondContact OD1-N 3.38Å; D391-E468 PolarHBondContact OD2-N 3.16Å; D391-G469 PolarHBondContact OD1-N 3.02Å
392	N	97.3	Very high	97.1	Very high	90 Å²	90	81 Å²	81	48%	0.481	41%	0.41	S	S	.	.			trans	-72.1	113.9	163.4	-176.3	-0.3	0	0	0	110.4	L394 E466	N392-L394 PolarHBondContact O-N 3.04Å; N392-L394 VanDerWaalsContact OD1-CB 3.31Å; N392-L394 WeakPolarHBondContact OD1-CB 3.47Å; N392-L394 PolarHBondContact OD1-N 3.04Å; N392-E466 HydrophobicContact CB-CB 4.47Å; N392-E466 HydrophobicContact CB-CG 4.32Å; N392-E466 WeakPolarHBondContact CB-OE2 3.47Å; N392-E466 PolarHBondContact N-OE2 3.4Å; N392-E466 PolarHBondContact O-N 2.91Å
393	E	97.3	Very high	97.2	Very high	105 Å²	105	83 Å²	83	49%	0.491	43%	0.428	S	S	.	.			trans	-77.9	-2.7	-176.9	-60.8	178.4	-148.9	0	0	113.7	R390 D391 V395 R564	R390-E393 IonicContact CZ-OE1 3.78Å; R390-E393 IonicContact NE-OE1 3.75Å; R390-E393 IonicContact NH2-OE1 2.93Å; R390-E393 PolarHBondContact NH2-OE1 2.71Å; D391-E393 PolarHBondContact O-N 3.47Å; E393-V395 PolarHBondContact O-N 3.4Å; E393-R564 WeakPolarHBondContact O-CD 3.33Å
394	L	98.1	Very high	97.2	Very high	110 Å²	110	87.3 Å²	87.3	58%	0.576	45%	0.451	S	S	*	.			trans	-63	132.7	176.8	-178.2	65.1	0	0	0	111.4	N392 A396 T465	N392-L394 PolarHBondContact O-N 3.04Å; N392-L394 VanDerWaalsContact OD1-CB 3.31Å; N392-L394 WeakPolarHBondContact OD1-CB 3.47Å; N392-L394 PolarHBondContact OD1-N 3.04Å; L394-A396 HydrophobicContact CD2-CB 4.39Å; L394-A396 HydrophobicContact CG-CB 4.45Å; L394-T465 WeakPolarHBondContact O-CB 3.41Å; L394-T465 PolarHBondContact O-OG1 3.22Å
395	V	98.6	Very high	97.2	Very high	46 Å²	46	93.9 Å²	93.9	28%	0.279	49%	0.485	S	S	.	.			trans	-96	101	167	178	0	0	0	0	107.9	E393 Y463 F474 R564 L565	E393-V395 PolarHBondContact O-N 3.4Å; V395-Y463 HydrophobicContact CG1-CD1 3.85Å; V395-Y463 HydrophobicContact CG1-CG 4.09Å; V395-F474 HydrophobicContact CG1-CZ 3.73Å; V395-R564 HydrophobicContact CG2-CG 3.7Å; V395-L565 HydrophobicContact CG1-CD2 4.44Å; V395-L565 HydrophobicContact CG2-CD2 4.44Å
396	A	98.4	Very high	97.3	Very high	36 Å²	36	90.3 Å²	90.3	30%	0.298	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.7	-175	0	0	0	0	0	111.1	L394 Y463 Q464	L394-A396 HydrophobicContact CD2-CB 4.39Å; L394-A396 HydrophobicContact CG-CB 4.45Å; A396-Y463 CarbonylContact O-C 3.51Å; A396-Y463 WeakPolarHBondContact O-CA 3.17Å; A396-Q464 PolarHBondContact N-O 3.25Å; A396-Q464 PolarHBondContact O-N 2.91Å
397	P	98.5	Very high	97.5	Very high	112 Å²	112	89.5 Å²	89.5	73%	0.727	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	140	168.4	-22.4	33.4	0	0	0	111	Y463	P397-Y463 HydrophobicContact CG-CE1 4.38Å
398	F	98.4	Very high	97.7	Very high	51 Å²	51	88.4 Å²	88.4	22%	0.224	44%	0.441	C	S	.	.			trans	-118.5	146	176	179.8	-102.7	0	0	0	109.2	I400 H462 Q464 H473 F540	F398-I400 HydrophobicContact CD1-CG1 4.42Å; F398-I400 HydrophobicContact CE1-CG1 3.83Å; F398-H462 HydrophobicContact CB-CB 4.05Å; F398-H462 HydrophobicContact CD1-CB 4.02Å; F398-H462 PolarHBondContact N-O 2.89Å; F398-H462 WeakPolarHBondContact O-CB 3.38Å; F398-Q464 HydrophobicContact CB-CG 4.12Å; F398-Q464 HydrophobicContact CD2-CG 4.02Å; F398-Q464 VanDerWaalsContact CD2-OE1 3.27Å; F398-Q464 HydrophobicContact CG-CG 4.12Å; F398-H473 AromaticContact CD1-CD2 3.74Å; F398-F540 HydrophobicContact CE1-CB 3.91Å; F398-F540 AromaticContact CE1-CD1 3.79Å; F398-F540 HydrophobicContact CE1-CD1 3.79Å; F398-F540 HydrophobicContact CE1-CD2 4.07Å; F398-F540 HydrophobicContact CE1-CE1 4.31Å; F398-F540 AromaticContact CE1-CG 3.65Å; F398-F540 HydrophobicContact CE1-CG 3.65Å; F398-F540 HydrophobicContact CZ-CB 3.98Å; F398-F540 AromaticContact CZ-CD1 3.62Å; F398-F540 HydrophobicContact CZ-CD1 3.62Å; F398-F540 HydrophobicContact CZ-CE1 4.27Å; F398-F540 AromaticContact CZ-CG 3.86Å; F398-F540 HydrophobicContact CZ-CG 3.86Å
399	R	98.4	Very high	97.7	Very high	173 Å²	173	82.8 Å²	82.8	65%	0.653	43%	0.425	S	S	*	.			trans	-131.8	128.2	174.2	-173.6	177.8	179	81.5	0.7	108.4	S401 N458	R399-S401 PolarHBondContact O-N 3.46Å; R399-N458 WeakPolarHBondContact CG-OD1 3.22Å
400	I	98.5	Very high	97.9	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.005	40%	0.399	C	S	.	.			trans	-71.1	123.9	173.7	-58.8	168	0	0	0	107.1	F398 E454 L457 N458 F500 F540	F398-I400 HydrophobicContact CD1-CG1 4.42Å; F398-I400 HydrophobicContact CE1-CG1 3.83Å; I400-E454 HydrophobicContact CG2-CG 4.36Å; I400-L457 HydrophobicContact CD1-CB 3.82Å; I400-L457 HydrophobicContact CD1-CD1 4.31Å; I400-N458 PolarHBondContact N-OD1 3.01Å; I400-N458 PolarHBondContact O-ND2 3.4Å; I400-F500 HydrophobicContact CD1-CZ 4.18Å; I400-F540 HydrophobicContact CB-CZ 4.19Å; I400-F540 HydrophobicContact CD1-CD2 4.38Å; I400-F540 HydrophobicContact CD1-CE2 3.5Å; I400-F540 VanDerWaalsContact CD1-CE2 3.5Å; I400-F540 HydrophobicContact CD1-CZ 3.78Å; I400-F540 HydrophobicContact CG1-CD2 4.32Å; I400-F540 HydrophobicContact CG1-CE1 4.22Å; I400-F540 HydrophobicContact CG1-CE2 3.62Å; I400-F540 HydrophobicContact CG1-CZ 3.57Å; I400-F540 HydrophobicContact CG2-CE1 4.15Å; I400-F540 HydrophobicContact CG2-CE2 4.48Å; I400-F540 HydrophobicContact CG2-CZ 3.64Å
401	S	98.1	Very high	98	Very high	94 Å²	94	74 Å²	74	66%	0.657	39%	0.388	S	S	*	.			trans	-147.3	118	176.9	-174.7	0	0	0	0	109.2	R399 E454	R399-S401 PolarHBondContact O-N 3.46Å; S401-E454 VanDerWaalsContact CA-OE1 3.31Å; S401-E454 WeakPolarHBondContact CA-OE1 3.45Å
402	V	97.7	Very high	98	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.024	40%	0.398	C	S	.	.			trans	-106	124.3	177.9	-178.4	0	0	0	0	109.3	E406 L407 W450 R451 E454 I716	V402-E406 HydrophobicContact CG1-CB 3.94Å; V402-L407 HydrophobicContact CG1-CD2 3.89Å; V402-L407 HydrophobicContact CG1-CG 4.12Å; V402-W450 HydrophobicContact CG2-CZ2 3.58Å; V402-R451 VanDerWaalsContact O-CZ 3.26Å; V402-R451 PolarHBondContact O-NH1 3.18Å; V402-R451 PolarHBondContact O-NH2 2.89Å; V402-E454 PolarHBondContact N-OE1 3.37Å; V402-I716 HydrophobicContact CG1-CG2 4.1Å; V402-I716 HydrophobicContact CG2-CB 4.12Å; V402-I716 HydrophobicContact CG2-CD1 3.86Å; V402-I716 HydrophobicContact CG2-CG1 4.42Å; V402-I716 HydrophobicContact CG2-CG2 3.99Å
403	P	97.9	Very high	98	Very high	76 Å²	76	75.8 Å²	75.8	49%	0.494	39%	0.39	S	S	.	.			trans	-62.1	145.7	175.7	-22.6	33.9	0	0	0	112.4	L405 E406	P403-L405 PolarHBondContact O-N 3.42Å; P403-E406 PolarHBondContact O-N 2.94Å
404	D	97.9	Very high	98.1	Very high	103 Å²	103	71 Å²	71	55%	0.551	37%	0.367	S	S	*	.	H	α-helix	trans	-55.3	-35.4	176.6	-67.7	-43.1	0	0	0	112.2	E406 L407 D408 R451	D404-E406 VanDerWaalsContact C-N 3.26Å; D404-E406 PolarHBondContact O-N 3.48Å; D404-L407 CarbonylContact O-C 3.6Å; D404-L407 WeakPolarHBondContact O-CA 2.82Å; D404-L407 WeakPolarHBondContact O-CB 3.32Å; D404-L407 PolarHBondContact O-N 3.36Å; D404-D408 PolarHBondContact O-N 3.27Å; D404-R451 IonicContact OD1-CZ 2.84Å; D404-R451 IonicContact OD1-NE 3.75Å; D404-R451 IonicContact OD1-NH2 3.84Å; D404-R451 PolarHBondContact OD1-NH2 2.86Å
405	L	98	Very high	98.1	Very high	139 Å²	139	70.7 Å²	70.7	73%	0.728	36%	0.363	S	S	*	.	H	α-helix	trans	-57.3	-35.5	177.2	-175	66.5	0	0	0	113.3	P403 D409	P403-L405 PolarHBondContact O-N 3.42Å; L405-D409 PolarHBondContact O-N 2.96Å
406	E	96.8	Very high	98	Very high	65 Å²	65	77.2 Å²	77.2	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-73.4	-31.7	176.9	-65.8	-161	154.2	0	0	111.9	V402 P403 D404 L410 K718	V402-E406 HydrophobicContact CG1-CB 3.94Å; P403-E406 PolarHBondContact O-N 2.94Å; D404-E406 VanDerWaalsContact C-N 3.26Å; D404-E406 PolarHBondContact O-N 3.48Å; E406-L410 WeakPolarHBondContact O-CB 3.31Å; E406-L410 PolarHBondContact O-N 3.44Å; E406-K718 IonicContact OE1-NZ 3.77Å
407	L	98.2	Very high	97.8	Very high	34 Å²	34	76.3 Å²	76.3	18%	0.178	37%	0.374	C	S	.	.	H	α-helix	trans	-73	-37.7	175.2	-57.2	179	0	0	0	111.2	V402 D404 L410 R411 W450 M712	V402-L407 HydrophobicContact CG1-CD2 3.89Å; V402-L407 HydrophobicContact CG1-CG 4.12Å; D404-L407 CarbonylContact O-C 3.6Å; D404-L407 WeakPolarHBondContact O-CA 2.82Å; D404-L407 WeakPolarHBondContact O-CB 3.32Å; D404-L407 PolarHBondContact O-N 3.36Å; L407-L410 WeakPolarHBondContact O-CB 3.27Å; L407-L410 PolarHBondContact O-N 3.09Å; L407-R411 WeakPolarHBondContact O-CB 3.33Å; L407-R411 PolarHBondContact O-N 3.39Å; L407-W450 HydrophobicContact CD1-CG 4.49Å; L407-W450 HydrophobicContact CD2-CB 4.21Å; L407-W450 HydrophobicContact CD2-CG 3.85Å; L407-M712 HydrophobicContact CD2-CE 3.97Å
408	D	98.1	Very high	97.6	Very high	88 Å²	88	78.7 Å²	78.7	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.4	-70.1	-24	0	0	0	111.6	D404 R411 Q412	D404-D408 PolarHBondContact O-N 3.27Å; D408-R411 PolarHBondContact O-N 3.19Å; D408-Q412 WeakPolarHBondContact O-CG 3.45Å; D408-Q412 PolarHBondContact O-N 3.32Å
409	D	97.8	Very high	97.4	Very high	62 Å²	62	77.9 Å²	77.9	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-46.8	173.1	177	76.8	0	0	0	111.3	L405 R411 Q412 R413	L405-D409 PolarHBondContact O-N 2.96Å; D409-R411 VanDerWaalsContact C-N 3.33Å; D409-R411 PolarHBondContact O-N 3.49Å; D409-Q412 PolarHBondContact O-N 3.26Å; D409-R413 WeakPolarHBondContact O-CG 3.45Å; D409-R413 PolarHBondContact O-N 3.34Å; D409-R413 IonicContact OD1-CZ 3.24Å; D409-R413 IonicContact OD1-NE 2.81Å; D409-R413 PolarHBondContact OD1-NE 3.5Å; D409-R413 IonicContact OD1-NH2 2.78Å; D409-R413 IonicContact OD2-CZ 2.71Å; D409-R413 IonicContact OD2-NE 3.83Å; D409-R413 PolarHBondContact OD2-NE 2.76Å; D409-R413 IonicContact OD2-NH2 3.56Å
410	L	98.1	Very high	97	Very high	9 Å²	9	74.3 Å²	74.3	5%	0.047	38%	0.376	C	S	.	.	H	α-helix	trans	-55.5	-49	175.2	169.8	63.4	0	0	0	111.2	E406 L407 Q412 R413 L414 W444 P672 M712 W715	E406-L410 WeakPolarHBondContact O-CB 3.31Å; E406-L410 PolarHBondContact O-N 3.44Å; L407-L410 WeakPolarHBondContact O-CB 3.27Å; L407-L410 PolarHBondContact O-N 3.09Å; L410-Q412 VanDerWaalsContact C-N 3.35Å; L410-Q412 PolarHBondContact O-N 3.1Å; L410-R413 PolarHBondContact O-N 3.18Å; L410-R413 VanDerWaalsContact O-N 3.16Å; L410-L414 HydrophobicContact CD1-CD1 3.86Å; L410-L414 HydrophobicContact CD1-CD2 4.38Å; L410-L414 HydrophobicContact CD1-CG 3.87Å; L410-L414 HydrophobicContact CG-CD1 3.9Å; L410-L414 HydrophobicContact CG-CG 4.32Å; L410-L414 WeakPolarHBondContact O-CG 3.31Å; L410-L414 PolarHBondContact O-N 2.96Å; L410-W444 HydrophobicContact CD1-CH2 4.47Å; L410-W444 HydrophobicContact CD1-CZ2 4.01Å; L410-W444 HydrophobicContact CD2-CZ2 4.18Å; L410-P672 HydrophobicContact CD1-CB 3.57Å; L410-P672 HydrophobicContact CD1-CG 3.89Å; L410-M712 HydrophobicContact CD2-CE 3.74Å; L410-M712 HydrophobicContact CD2-SD 3.31Å; L410-M712 WeakPolarHBondContact CD2-SD 3.27Å; L410-W715 HydrophobicContact CD1-CD2 4.35Å; L410-W715 HydrophobicContact CD1-CG 4.44Å; L410-W715 HydrophobicContact CD1-CZ2 4.35Å
411	R	98.2	Very high	96.6	Very high	120 Å²	120	82 Å²	82	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-57.5	-48	179.9	-173	-175.8	179.6	106	6.1	111.1	L407 D408 D409 R413 L414 E415 L445	L407-R411 WeakPolarHBondContact O-CB 3.33Å; L407-R411 PolarHBondContact O-N 3.39Å; D408-R411 PolarHBondContact O-N 3.19Å; D409-R411 VanDerWaalsContact C-N 3.33Å; D409-R411 PolarHBondContact O-N 3.49Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 2.92Å; R411-L414 PolarHBondContact O-N 3.08Å; R411-E415 IonicContact CZ-OE1 2.85Å; R411-E415 IonicContact NE-OE1 3.6Å; R411-E415 PolarHBondContact NE-OE1 3.4Å; R411-E415 IonicContact NH2-OE1 2.75Å; R411-E415 WeakPolarHBondContact O-CG 3.44Å; R411-E415 PolarHBondContact O-N 3.31Å; R411-L445 HydrophobicContact CG-CD2 3.85Å
412	Q	98.3	Very high	96.3	Very high	83 Å²	83	80.1 Å²	80.1	39%	0.388	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.5	-72.9	-179.8	58.7	0	0	112.5	D408 D409 L410 R416	D408-Q412 WeakPolarHBondContact O-CG 3.45Å; D408-Q412 PolarHBondContact O-N 3.32Å; D409-Q412 PolarHBondContact O-N 3.26Å; L410-Q412 VanDerWaalsContact C-N 3.35Å; L410-Q412 PolarHBondContact O-N 3.1Å; Q412-R416 WeakPolarHBondContact O-CB 3Å; Q412-R416 VanDerWaalsContact O-CG 3.23Å; Q412-R416 WeakPolarHBondContact O-CG 3.36Å; Q412-R416 PolarHBondContact O-N 3.5Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.08Å
413	R	97.7	Very high	96	Very high	81 Å²	81	84.5 Å²	84.5	31%	0.306	43%	0.426	S	S	.	.	H	α-helix	trans	-68.9	-39.3	177	-70.2	177.4	-173.6	-99.2	-6.2	112.4	D409 L410 R411 R416 S417 D670 P672	D409-R413 WeakPolarHBondContact O-CG 3.45Å; D409-R413 PolarHBondContact O-N 3.34Å; D409-R413 IonicContact OD1-CZ 3.24Å; D409-R413 IonicContact OD1-NE 2.81Å; D409-R413 PolarHBondContact OD1-NE 3.5Å; D409-R413 IonicContact OD1-NH2 2.78Å; D409-R413 IonicContact OD2-CZ 2.71Å; D409-R413 IonicContact OD2-NE 3.83Å; D409-R413 PolarHBondContact OD2-NE 2.76Å; D409-R413 IonicContact OD2-NH2 3.56Å; L410-R413 PolarHBondContact O-N 3.18Å; L410-R413 VanDerWaalsContact O-N 3.16Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 2.92Å; R413-R416 PolarHBondContact O-N 3.31Å; R413-S417 PolarHBondContact O-N 3.48Å; R413-S417 PolarHBondContact O-OG 3.28Å; R413-D670 IonicContact CZ-OD1 2.78Å; R413-D670 PolarHBondContact NH1-O 3.38Å; R413-D670 IonicContact NH1-OD1 3.3Å; R413-D670 PolarHBondContact NH1-OD1 2.94Å; R413-P672 HydrophobicContact CB-CG 3.82Å
414	L	98.2	Very high	95.6	Very high	3 Å²	3	89.1 Å²	89.1	2%	0.016	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-47.5	174	-70.6	173.6	0	0	0	110.9	L410 R411 R416 S417 R441 W444 L445 P672 M673	L410-L414 HydrophobicContact CD1-CD1 3.86Å; L410-L414 HydrophobicContact CD1-CD2 4.38Å; L410-L414 HydrophobicContact CD1-CG 3.87Å; L410-L414 HydrophobicContact CG-CD1 3.9Å; L410-L414 HydrophobicContact CG-CG 4.32Å; L410-L414 WeakPolarHBondContact O-CG 3.31Å; L410-L414 PolarHBondContact O-N 2.96Å; R411-L414 PolarHBondContact O-N 3.08Å; L414-R416 VanDerWaalsContact C-N 3.28Å; L414-R416 PolarHBondContact O-N 3.39Å; L414-S417 VanDerWaalsContact O-CB 3.28Å; L414-S417 WeakPolarHBondContact O-CB 3.47Å; L414-S417 PolarHBondContact O-N 3.49Å; L414-S417 VanDerWaalsContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 3.36Å; L414-R441 WeakPolarHBondContact O-CD 3.43Å; L414-W444 HydrophobicContact CD1-CB 4.27Å; L414-W444 HydrophobicContact CD1-CD2 3.78Å; L414-W444 HydrophobicContact CD1-CE3 4.3Å; L414-W444 HydrophobicContact CD1-CG 3.73Å; L414-W444 HydrophobicContact CD2-CD2 4.04Å; L414-W444 HydrophobicContact CD2-CE3 3.69Å; L414-W444 HydrophobicContact CD2-CH2 4.48Å; L414-W444 HydrophobicContact CD2-CZ3 3.92Å; L414-L445 HydrophobicContact CB-CD1 4.36Å; L414-L445 HydrophobicContact CB-CD2 3.67Å; L414-L445 HydrophobicContact CB-CG 4.01Å; L414-L445 HydrophobicContact CD1-CD2 4.17Å; L414-L445 HydrophobicContact CD1-CG 4.45Å; L414-P672 HydrophobicContact CD2-CB 4.14Å; L414-P672 HydrophobicContact CD2-CG 3.97Å; L414-P672 HydrophobicContact CG-CG 4.29Å; L414-M673 HydrophobicContact CD2-CG 3.92Å; L414-M673 HydrophobicContact CD2-SD 3.62Å
415	E	98	Very high	95	Very high	105 Å²	105	92.1 Å²	92.1	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-59.8	-36.8	177	-73.4	171.9	179.2	0	0	112.3	R411 L445	R411-E415 IonicContact CZ-OE1 2.85Å; R411-E415 IonicContact NE-OE1 3.6Å; R411-E415 PolarHBondContact NE-OE1 3.4Å; R411-E415 IonicContact NH2-OE1 2.75Å; R411-E415 WeakPolarHBondContact O-CG 3.44Å; R411-E415 PolarHBondContact O-N 3.31Å; E415-L445 HydrophobicContact CG-CD1 4.11Å; E415-L445 HydrophobicContact CG-CD2 3.83Å
416	R	96.9	Very high	94.5	Very high	183 Å²	183	86.2 Å²	86.2	69%	0.691	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-0.3	178.8	-66.3	175.4	-170.4	162.2	12.1	114.3	Q412 R413 L414 I418	Q412-R416 WeakPolarHBondContact O-CB 3Å; Q412-R416 VanDerWaalsContact O-CG 3.23Å; Q412-R416 WeakPolarHBondContact O-CG 3.36Å; Q412-R416 PolarHBondContact O-N 3.5Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.08Å; R413-R416 PolarHBondContact O-N 3.31Å; L414-R416 VanDerWaalsContact C-N 3.28Å; L414-R416 PolarHBondContact O-N 3.39Å; R416-I418 PolarHBondContact O-N 3.01Å
417	S	95.3	Very high	94	Very high	17 Å²	17	88.1 Å²	88.1	12%	0.119	44%	0.435	C	S	.	.			trans	-67.7	122.9	-176.7	-71	0	0	0	0	111.3	R413 L414 R441 M673	R413-S417 PolarHBondContact O-N 3.48Å; R413-S417 PolarHBondContact O-OG 3.28Å; L414-S417 VanDerWaalsContact O-CB 3.28Å; L414-S417 WeakPolarHBondContact O-CB 3.47Å; L414-S417 PolarHBondContact O-N 3.49Å; L414-S417 VanDerWaalsContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 3.36Å; S417-R441 PolarHBondContact O-NH1 3.44Å; S417-M673 WeakPolarHBondContact OG-CG 3.05Å
418	I	94	Very high	93.5	Very high	162 Å²	162	87.1 Å²	87.1	83%	0.831	43%	0.43	S	S	*	.			trans	-87.6	120.2	173.2	-57.8	173	0	0	0	108	R416	R416-I418 PolarHBondContact O-N 3.01Å
419	I	93.9	Very high	92.9	Very high	34 Å²	34	88.5 Å²	88.5	17%	0.174	44%	0.437	C	S	.	.			trans	-111.6	113.6	177.4	-58.2	175.9	0	0	0	107.3	G434 L437 R441 M673	I419-G434 VanDerWaalsContact CG2-CA 3.46Å; I419-G434 WeakPolarHBondContact CG2-O 3.46Å; I419-L437 HydrophobicContact CD1-CB 4.12Å; I419-L437 HydrophobicContact CG2-CB 4.19Å; I419-R441 HydrophobicContact CD1-CB 4.37Å; I419-M673 HydrophobicContact CD1-CE 4.22Å
420	P	90.5	Very high	92.5	Very high	98 Å²	98	94.4 Å²	94.4	64%	0.636	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-72.6	156.3	179.2	30.3	-34.3	0	0	0	111.7
421	D	90	Very high	92.1	Very high	163 Å²	163	95.1 Å²	95.1	87%	0.872	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.8	147.2	170.5	-65.8	-39.5	0	0	0	110.8
422	S	91.9	Very high	91.8	Very high	53 Å²	53	90.4 Å²	90.4	37%	0.371	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-90.7	154.8	176.7	-58.7	0	0	0	0	111.3	E424 R433 G434	S422-E424 PolarHBondContact O-N 3.12Å; S422-R433 WeakPolarHBondContact OG-CA 3.38Å; S422-G434 PolarHBondContact OG-N 2.57Å
423	I	90.5	Very high	91.5	Very high	97 Å²	97	90.1 Å²	90.1	50%	0.497	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-61	131.3	173.4	-60.9	174.6	0	0	0	109.2	A426 Y430	I423-A426 HydrophobicContact CB-CB 3.87Å; I423-A426 HydrophobicContact CG2-CB 3.84Å; I423-A426 PolarHBondContact O-N 3.41Å; I423-Y430 HydrophobicContact CD1-CD1 3.98Å; I423-Y430 HydrophobicContact CD1-CD2 4.09Å; I423-Y430 HydrophobicContact CD1-CE1 3.74Å; I423-Y430 HydrophobicContact CD1-CE2 3.86Å; I423-Y430 HydrophobicContact CD1-CG 4.15Å
424	E	89.1	Confident	91.3	Very high	173 Å²	173	86.7 Å²	86.7	81%	0.808	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	140.2	176.5	-64.3	179.7	178.2	0	0	111	S422 A426	S422-E424 PolarHBondContact O-N 3.12Å; E424-A426 PolarHBondContact O-N 3.38Å
425	D	86.5	Confident	91	Very high	165 Å²	165	89.5 Å²	89.5	88%	0.882	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	9.7	176.5	-58.6	-38.2	0	0	0	117.1	K427	D425-K427 VanDerWaalsContact C-N 3.33Å; D425-K427 PolarHBondContact O-N 3.08Å
426	A	87.6	Confident	90.8	Very high	15 Å²	15	84.5 Å²	84.5	12%	0.124	43%	0.426	C	S	.	.			trans	-87.6	4.2	-178.8	0	0	0	0	0	114.6	I423 E424 H428 D429 Y430	I423-A426 HydrophobicContact CB-CB 3.87Å; I423-A426 HydrophobicContact CG2-CB 3.84Å; I423-A426 PolarHBondContact O-N 3.41Å; E424-A426 PolarHBondContact O-N 3.38Å; A426-H428 PolarHBondContact O-N 3.11Å; A426-D429 WeakPolarHBondContact O-CB 3.28Å; A426-D429 PolarHBondContact O-N 2.89Å; A426-Y430 HydrophobicContact CB-CD2 3.86Å; A426-Y430 HydrophobicContact CB-CE2 3.96Å
427	K	86.1	Confident	90.8	Very high	105 Å²	105	76.8 Å²	76.8	46%	0.457	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	-123.6	-178.4	-58.5	176.7	177.8	173.2	0	111.2	D425 R433 N693	D425-K427 VanDerWaalsContact C-N 3.33Å; D425-K427 PolarHBondContact O-N 3.08Å; K427-R433 WeakPolarHBondContact O-CD 3.45Å; K427-R433 WeakPolarHBondContact O-CG 3.46Å; K427-N693 WeakPolarHBondContact CD-OD1 3.48Å; K427-N693 PolarHBondContact NZ-OD1 3.49Å
428	H	87.8	Confident	90.8	Very high	13 Å²	13	78 Å²	78	6%	0.06	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	18.4	177	-62.2	85.4	0	0	0	112.7	A426 Y430 G431 T692 G697	A426-H428 PolarHBondContact O-N 3.11Å; H428-Y430 PolarHBondContact O-N 3.38Å; H428-Y430 VanDerWaalsContact O-N 3.15Å; H428-G431 CarbonylContact C-O 3.58Å; H428-G431 WeakPolarHBondContact CA-O 3.43Å; H428-G431 PolarHBondContact O-N 3.21Å; H428-T692 HydrophobicContact CB-CG2 4.18Å; H428-T692 PolarHBondContact ND1-O 3.04Å; H428-G697 VanDerWaalsContact CE1-CA 3.47Å; H428-G697 WeakPolarHBondContact CE1-CA 3.34Å; H428-G697 PolarHBondContact CE1-N 3.37Å; H428-G697 PolarHBondContact NE2-N 3.5Å
429	D	85	Confident	90.9	Very high	117 Å²	117	75.7 Å²	75.7	63%	0.626	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.2	-174.5	-66.3	1.7	0	0	0	112.7	A426	A426-D429 WeakPolarHBondContact O-CB 3.28Å; A426-D429 PolarHBondContact O-N 2.89Å
430	Y	89.4	Confident	91.1	Very high	187 Å²	187	74.1 Å²	74.1	73%	0.733	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	12.2	176.1	-68.7	-99.8	0	0	0	112.9	I423 A426 H428	I423-Y430 HydrophobicContact CD1-CD1 3.98Å; I423-Y430 HydrophobicContact CD1-CD2 4.09Å; I423-Y430 HydrophobicContact CD1-CE1 3.74Å; I423-Y430 HydrophobicContact CD1-CE2 3.86Å; I423-Y430 HydrophobicContact CD1-CG 4.15Å; A426-Y430 HydrophobicContact CB-CD2 3.86Å; A426-Y430 HydrophobicContact CB-CE2 3.96Å; H428-Y430 PolarHBondContact O-N 3.38Å; H428-Y430 VanDerWaalsContact O-N 3.15Å
431	G	90	Very high	91.4	Very high	23 Å²	23	71.9 Å²	71.9	24%	0.237	36%	0.36	C	S	.	.	S	Bend	trans	102.5	-163.9	-173.7	0	0	0	0	0	113.2	H428 R433	H428-G431 CarbonylContact C-O 3.58Å; H428-G431 WeakPolarHBondContact CA-O 3.43Å; H428-G431 PolarHBondContact O-N 3.21Å; G431-R433 PolarHBondContact O-N 3.12Å
432	L	91.4	Very high	91.8	Very high	22 Å²	22	67.5 Å²	67.5	12%	0.115	34%	0.337	C	S	.	.	S	Bend	trans	-65.4	128.5	178.8	-73.6	-178.3	0	0	0	111.8	V436 L437 L680 E681 L699	L432-V436 HydrophobicContact CD2-CG1 4.27Å; L432-L437 HydrophobicContact CB-CD2 4.19Å; L432-L437 HydrophobicContact CB-CG 4.23Å; L432-L437 HydrophobicContact CD1-CD2 4.17Å; L432-L680 HydrophobicContact CD1-CB 3.61Å; L432-E681 HydrophobicContact CD1-CB 4.44Å; L432-E681 HydrophobicContact CG-CB 3.99Å; L432-L699 HydrophobicContact CD1-CD1 4.37Å; L432-L699 HydrophobicContact CD2-CD1 4.12Å
433	R	92	Very high	92.1	Very high	77 Å²	77	67.5 Å²	67.5	29%	0.291	33%	0.329	S	S	.	.			trans	-68.3	152	179.2	-58.6	-167.9	-46.1	-169.1	1	112.1	S422 K427 G431 D435 V436 L437	S422-R433 WeakPolarHBondContact OG-CA 3.38Å; K427-R433 WeakPolarHBondContact O-CD 3.45Å; K427-R433 WeakPolarHBondContact O-CG 3.46Å; G431-R433 PolarHBondContact O-N 3.12Å; R433-D435 VanDerWaalsContact C-N 3.3Å; R433-D435 WeakPolarHBondContact CB-OD1 3.2Å; R433-D435 IonicContact CZ-OD1 2.86Å; R433-D435 IonicContact CZ-OD2 3.37Å; R433-D435 IonicContact NE-OD1 2.74Å; R433-D435 PolarHBondContact NE-OD1 3.04Å; R433-D435 IonicContact NE-OD2 3.46Å; R433-D435 VanDerWaalsContact NH2-CG 3.33Å; R433-D435 IonicContact NH2-OD1 3.66Å; R433-D435 PolarHBondContact NH2-OD1 3.37Å; R433-D435 IonicContact NH2-OD2 3.64Å; R433-D435 PolarHBondContact NH2-OD2 3.19Å; R433-D435 PolarHBondContact O-N 2.82Å; R433-V436 HydrophobicContact CB-CG2 4.16Å; R433-V436 WeakPolarHBondContact O-CB 3.37Å; R433-V436 PolarHBondContact O-N 3.01Å; R433-V436 VanDerWaalsContact O-N 3.1Å; R433-L437 PolarHBondContact O-N 2.89Å
434	G	92.6	Very high	92.5	Very high	9 Å²	9	63.5 Å²	63.5	9%	0.093	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-34.6	177.6	0	0	0	0	0	113.4	I419 S422 L437 T438	I419-G434 VanDerWaalsContact CG2-CA 3.46Å; I419-G434 WeakPolarHBondContact CG2-O 3.46Å; S422-G434 PolarHBondContact OG-N 2.57Å; G434-L437 PolarHBondContact O-N 3.16Å; G434-T438 VanDerWaalsContact O-CB 3.3Å; G434-T438 WeakPolarHBondContact O-CB 3.15Å; G434-T438 PolarHBondContact O-N 3.16Å; G434-T438 PolarHBondContact O-OG1 3.44Å
435	D	92.8	Very high	93	Very high	62 Å²	62	56.5 Å²	56.5	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-36.7	175.3	74	-53.8	0	0	0	112.1	R433 T438 K439	R433-D435 VanDerWaalsContact C-N 3.3Å; R433-D435 WeakPolarHBondContact CB-OD1 3.2Å; R433-D435 IonicContact CZ-OD1 2.86Å; R433-D435 IonicContact CZ-OD2 3.37Å; R433-D435 IonicContact NE-OD1 2.74Å; R433-D435 PolarHBondContact NE-OD1 3.04Å; R433-D435 IonicContact NE-OD2 3.46Å; R433-D435 VanDerWaalsContact NH2-CG 3.33Å; R433-D435 IonicContact NH2-OD1 3.66Å; R433-D435 PolarHBondContact NH2-OD1 3.37Å; R433-D435 IonicContact NH2-OD2 3.64Å; R433-D435 PolarHBondContact NH2-OD2 3.19Å; R433-D435 PolarHBondContact O-N 2.82Å; D435-T438 PolarHBondContact O-N 2.78Å; D435-K439 WeakPolarHBondContact O-CG 3.3Å; D435-K439 PolarHBondContact O-N 3.36Å; D435-K439 VanDerWaalsContact O-N 3.08Å
436	V	94.3	Very high	93.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-47.4	175	177.3	0	0	0	0	110.2	L432 R433 T438 K439 I440 M696 L699	L432-V436 HydrophobicContact CD2-CG1 4.27Å; R433-V436 HydrophobicContact CB-CG2 4.16Å; R433-V436 WeakPolarHBondContact O-CB 3.37Å; R433-V436 PolarHBondContact O-N 3.01Å; R433-V436 VanDerWaalsContact O-N 3.1Å; V436-T438 VanDerWaalsContact C-N 3.31Å; V436-T438 PolarHBondContact O-N 3.17Å; V436-K439 WeakPolarHBondContact O-CB 3.37Å; V436-K439 PolarHBondContact O-N 3.3Å; V436-I440 HydrophobicContact CG1-CD1 4.01Å; V436-I440 WeakPolarHBondContact O-CG1 3.47Å; V436-I440 PolarHBondContact O-N 3.23Å; V436-M696 HydrophobicContact CB-CE 4.39Å; V436-M696 HydrophobicContact CB-SD 4.07Å; V436-M696 HydrophobicContact CG1-CB 4.5Å; V436-M696 HydrophobicContact CG1-CE 3.67Å; V436-M696 HydrophobicContact CG1-SD 3.86Å; V436-M696 HydrophobicContact CG2-SD 3.82Å; V436-L699 HydrophobicContact CG1-CD1 4.39Å
437	L	95.6	Very high	94	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-36.8	175.5	-68.4	175.4	0	0	0	112.4	I419 L432 R433 G434 I440 R441 M673 A677	I419-L437 HydrophobicContact CD1-CB 4.12Å; I419-L437 HydrophobicContact CG2-CB 4.19Å; L432-L437 HydrophobicContact CB-CD2 4.19Å; L432-L437 HydrophobicContact CB-CG 4.23Å; L432-L437 HydrophobicContact CD1-CD2 4.17Å; R433-L437 PolarHBondContact O-N 2.89Å; G434-L437 PolarHBondContact O-N 3.16Å; L437-I440 HydrophobicContact CD2-CD1 4.42Å; L437-I440 PolarHBondContact O-N 2.97Å; L437-R441 WeakPolarHBondContact O-CB 3.26Å; L437-R441 PolarHBondContact O-N 2.93Å; L437-M673 HydrophobicContact CB-CE 3.95Å; L437-M673 HydrophobicContact CD2-CE 4.12Å; L437-M673 WeakPolarHBondContact O-CE 3.38Å; L437-A677 HydrophobicContact CD1-CB 3.93Å; L437-A677 HydrophobicContact CD2-CB 3.76Å
438	T	96.2	Very high	94.6	Very high	44 Å²	44	55.8 Å²	55.8	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-42.8	175.9	-63.1	0	0	0	0	111.1	G434 D435 V436 R441 N442	G434-T438 VanDerWaalsContact O-CB 3.3Å; G434-T438 WeakPolarHBondContact O-CB 3.15Å; G434-T438 PolarHBondContact O-N 3.16Å; G434-T438 PolarHBondContact O-OG1 3.44Å; D435-T438 PolarHBondContact O-N 2.78Å; V436-T438 VanDerWaalsContact C-N 3.31Å; V436-T438 PolarHBondContact O-N 3.17Å; T438-R441 PolarHBondContact O-N 3.15Å; T438-N442 WeakPolarHBondContact O-CB 3.48Å; T438-N442 PolarHBondContact O-N 3.2Å; T438-N442 PolarHBondContact O-ND2 3.17Å; T438-N442 PolarHBondContact O-OD1 2.98Å
439	K	96.3	Very high	95.1	Very high	113 Å²	113	59 Å²	59	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-44.9	174.2	-74.5	169	177.8	173.2	0	111.9	D435 V436 N442 Y443 M696	D435-K439 WeakPolarHBondContact O-CG 3.3Å; D435-K439 PolarHBondContact O-N 3.36Å; D435-K439 VanDerWaalsContact O-N 3.08Å; V436-K439 WeakPolarHBondContact O-CB 3.37Å; V436-K439 PolarHBondContact O-N 3.3Å; K439-N442 PolarHBondContact O-N 2.85Å; K439-Y443 WeakPolarHBondContact O-CB 3.29Å; K439-Y443 PolarHBondContact O-N 3.4Å; K439-M696 HydrophobicContact CB-CE 3.92Å; K439-M696 HydrophobicContact CB-SD 4.33Å; K439-M696 HydrophobicContact CD-CE 4.08Å; K439-M696 HydrophobicContact CD-SD 3.4Å; K439-M696 WeakPolarHBondContact CD-SD 3.32Å
440	I	97.5	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-48.5	176.2	-66.8	161.1	0	0	0	110.3	V436 L437 N442 Y443 W444 L680 M696 L699 M704 I708	V436-I440 HydrophobicContact CG1-CD1 4.01Å; V436-I440 WeakPolarHBondContact O-CG1 3.47Å; V436-I440 PolarHBondContact O-N 3.23Å; L437-I440 HydrophobicContact CD2-CD1 4.42Å; L437-I440 PolarHBondContact O-N 2.97Å; I440-N442 VanDerWaalsContact C-N 3.35Å; I440-N442 PolarHBondContact O-N 3.4Å; I440-Y443 PolarHBondContact O-N 3.37Å; I440-W444 VanDerWaalsContact O-CB 3.3Å; I440-W444 WeakPolarHBondContact O-CB 3.17Å; I440-W444 PolarHBondContact O-N 2.93Å; I440-L680 HydrophobicContact CD1-CD1 3.84Å; I440-L680 HydrophobicContact CG2-CD1 4.31Å; I440-M696 HydrophobicContact CG1-CE 4.42Å; I440-L699 HydrophobicContact CD1-CD1 4.35Å; I440-M704 HydrophobicContact CG1-CE 4.18Å; I440-M704 HydrophobicContact CG1-SD 3.86Å; I440-I708 HydrophobicContact CG2-CG1 4.38Å
441	R	97.9	Very high	96.2	Very high	52 Å²	52	49 Å²	49	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-46.4	177.3	-176.3	-173.2	65.6	-177.2	0.1	111.8	L414 S417 I419 L437 T438 W444 L445 M673	L414-R441 WeakPolarHBondContact O-CD 3.43Å; S417-R441 PolarHBondContact O-NH1 3.44Å; I419-R441 HydrophobicContact CD1-CB 4.37Å; L437-R441 WeakPolarHBondContact O-CB 3.26Å; L437-R441 PolarHBondContact O-N 2.93Å; T438-R441 PolarHBondContact O-N 3.15Å; R441-W444 PolarHBondContact O-N 3.39Å; R441-L445 HydrophobicContact CG-CD1 4.01Å; R441-L445 WeakPolarHBondContact O-CB 3.39Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.32Å; R441-M673 HydrophobicContact CB-CE 3.95Å; R441-M673 HydrophobicContact CB-SD 3.81Å; R441-M673 HydrophobicContact CG-SD 4.11Å
442	N	98.1	Very high	96.6	Very high	71 Å²	71	53.9 Å²	53.9	38%	0.38	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-41	-178.3	-69.1	-6.9	0	0	0	111.6	T438 K439 I440 L445 N446	T438-N442 WeakPolarHBondContact O-CB 3.48Å; T438-N442 PolarHBondContact O-N 3.2Å; T438-N442 PolarHBondContact O-ND2 3.17Å; T438-N442 PolarHBondContact O-OD1 2.98Å; K439-N442 PolarHBondContact O-N 2.85Å; I440-N442 VanDerWaalsContact C-N 3.35Å; I440-N442 PolarHBondContact O-N 3.4Å; N442-L445 PolarHBondContact O-N 2.88Å; N442-N446 WeakPolarHBondContact O-CB 3.26Å; N442-N446 PolarHBondContact O-N 3.3Å; N442-N446 VanDerWaalsContact O-N 3.13Å; N442-N446 PolarHBondContact O-ND2 3Å
443	Y	98.5	Very high	96.9	Very high	52 Å²	52	53.3 Å²	53.3	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-43.9	173.7	-169.2	-84.5	0	0	0	111	K439 I440 L445 N446 E447 Y448 M704 I708	K439-Y443 WeakPolarHBondContact O-CB 3.29Å; K439-Y443 PolarHBondContact O-N 3.4Å; I440-Y443 PolarHBondContact O-N 3.37Å; Y443-L445 VanDerWaalsContact C-N 3.32Å; Y443-L445 PolarHBondContact O-N 3.39Å; Y443-N446 PolarHBondContact O-N 3.45Å; Y443-E447 HydrophobicContact CD1-CB 4.21Å; Y443-E447 HydrophobicContact CD2-CB 3.75Å; Y443-E447 HydrophobicContact CD2-CG 4.11Å; Y443-E447 WeakPolarHBondContact CD2-OE1 3.36Å; Y443-E447 WeakPolarHBondContact CD2-OE2 3.38Å; Y443-E447 HydrophobicContact CE1-CB 4.19Å; Y443-E447 HydrophobicContact CE2-CB 3.71Å; Y443-E447 HydrophobicContact CE2-CG 4.27Å; Y443-E447 WeakPolarHBondContact CE2-OE2 3.34Å; Y443-E447 HydrophobicContact CG-CB 4.02Å; Y443-E447 WeakPolarHBondContact O-CA 3.21Å; Y443-E447 PolarHBondContact O-N 2.92Å; Y443-Y448 PolarHBondContact O-N 3.19Å; Y443-M704 HydrophobicContact CD1-CB 3.87Å; Y443-M704 HydrophobicContact CD1-CG 3.29Å; Y443-M704 HydrophobicContact CD2-CB 4.42Å; Y443-M704 HydrophobicContact CD2-CG 4.17Å; Y443-M704 HydrophobicContact CE1-CB 3.68Å; Y443-M704 HydrophobicContact CE1-CG 3.66Å; Y443-M704 HydrophobicContact CE2-CB 4.27Å; Y443-M704 HydrophobicContact CE2-CG 4.48Å; Y443-M704 HydrophobicContact CG-CB 4.22Å; Y443-M704 HydrophobicContact CG-CG 3.56Å; Y443-I708 HydrophobicContact CD1-CD1 3.64Å; Y443-I708 HydrophobicContact CE1-CD1 4.36Å
444	W	98.4	Very high	97.2	Very high	13 Å²	13	50.6 Å²	50.6	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-38.2	179	-158.6	-12.7	0	0	0	112.6	L410 L414 I440 R441 Y448 P672 M673 A676 I708 V711 M712	L410-W444 HydrophobicContact CD1-CH2 4.47Å; L410-W444 HydrophobicContact CD1-CZ2 4.01Å; L410-W444 HydrophobicContact CD2-CZ2 4.18Å; L414-W444 HydrophobicContact CD1-CB 4.27Å; L414-W444 HydrophobicContact CD1-CD2 3.78Å; L414-W444 HydrophobicContact CD1-CE3 4.3Å; L414-W444 HydrophobicContact CD1-CG 3.73Å; L414-W444 HydrophobicContact CD2-CD2 4.04Å; L414-W444 HydrophobicContact CD2-CE3 3.69Å; L414-W444 HydrophobicContact CD2-CH2 4.48Å; L414-W444 HydrophobicContact CD2-CZ3 3.92Å; I440-W444 VanDerWaalsContact O-CB 3.3Å; I440-W444 WeakPolarHBondContact O-CB 3.17Å; I440-W444 PolarHBondContact O-N 2.93Å; R441-W444 PolarHBondContact O-N 3.39Å; W444-Y448 AromaticContact CD1-CD1 3.68Å; W444-Y448 AromaticContact NE1-CD1 3.92Å; W444-P672 HydrophobicContact CH2-CB 4.12Å; W444-M673 HydrophobicContact CE3-SD 4.34Å; W444-M673 HydrophobicContact CZ3-SD 4.41Å; W444-A676 HydrophobicContact CZ3-CB 3.95Å; W444-I708 HydrophobicContact CB-CD1 3.86Å; W444-I708 HydrophobicContact CD2-CG2 3.74Å; W444-I708 HydrophobicContact CE3-CG2 4.48Å; W444-I708 HydrophobicContact CG-CD1 4.09Å; W444-I708 HydrophobicContact CG-CG2 3.81Å; W444-I708 HydrophobicContact CZ2-CG2 4.2Å; W444-V711 HydrophobicContact CH2-CB 4.44Å; W444-V711 HydrophobicContact CH2-CG1 3.55Å; W444-V711 HydrophobicContact CZ2-CG1 4.38Å; W444-V711 HydrophobicContact CZ3-CG1 4.1Å; W444-M712 HydrophobicContact CZ2-CG 3.88Å; W444-M712 HydrophobicContact CZ2-SD 3.51Å; W444-M712 VanDerWaalsContact CZ2-SD 3.51Å
445	L	98.3	Very high	97.5	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-76.2	-33.4	179.3	-78.2	171.4	0	0	0	114.2	R411 L414 E415 R441 N442 Y443	R411-L445 HydrophobicContact CG-CD2 3.85Å; L414-L445 HydrophobicContact CB-CD1 4.36Å; L414-L445 HydrophobicContact CB-CD2 3.67Å; L414-L445 HydrophobicContact CB-CG 4.01Å; L414-L445 HydrophobicContact CD1-CD2 4.17Å; L414-L445 HydrophobicContact CD1-CG 4.45Å; E415-L445 HydrophobicContact CG-CD1 4.11Å; E415-L445 HydrophobicContact CG-CD2 3.83Å; R441-L445 HydrophobicContact CG-CD1 4.01Å; R441-L445 WeakPolarHBondContact O-CB 3.39Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.32Å; N442-L445 PolarHBondContact O-N 2.88Å; Y443-L445 VanDerWaalsContact C-N 3.32Å; Y443-L445 PolarHBondContact O-N 3.39Å
446	N	98.3	Very high	97.7	Very high	117 Å²	117	57.7 Å²	57.7	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-119.6	-20.2	-163	-55.8	-58.4	0	0	0	114.7	N442 Y443	N442-N446 WeakPolarHBondContact O-CB 3.26Å; N442-N446 PolarHBondContact O-N 3.3Å; N442-N446 VanDerWaalsContact O-N 3.13Å; N442-N446 PolarHBondContact O-ND2 3Å; Y443-N446 PolarHBondContact O-N 3.45Å
447	E	98.4	Very high	97.9	Very high	131 Å²	131	57.8 Å²	57.8	61%	0.612	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-37.1	-172.4	-63.1	-178.5	-120.4	0	0	112.9	Y443 D449	Y443-E447 HydrophobicContact CD1-CB 4.21Å; Y443-E447 HydrophobicContact CD2-CB 3.75Å; Y443-E447 HydrophobicContact CD2-CG 4.11Å; Y443-E447 WeakPolarHBondContact CD2-OE1 3.36Å; Y443-E447 WeakPolarHBondContact CD2-OE2 3.38Å; Y443-E447 HydrophobicContact CE1-CB 4.19Å; Y443-E447 HydrophobicContact CE2-CB 3.71Å; Y443-E447 HydrophobicContact CE2-CG 4.27Å; Y443-E447 WeakPolarHBondContact CE2-OE2 3.34Å; Y443-E447 HydrophobicContact CG-CB 4.02Å; Y443-E447 WeakPolarHBondContact O-CA 3.21Å; Y443-E447 PolarHBondContact O-N 2.92Å; E447-D449 PolarHBondContact O-N 3.41Å
448	Y	98.4	Very high	98.1	Very high	22 Å²	22	58 Å²	58	9%	0.086	28%	0.276	C	S	.	.			trans	-69.6	127.6	-179.9	-178.5	-103.3	0	0	0	112.1	Y443 W444 W450 A453 D705 I708 T709 M712	Y443-Y448 PolarHBondContact O-N 3.19Å; W444-Y448 AromaticContact CD1-CD1 3.68Å; W444-Y448 AromaticContact NE1-CD1 3.92Å; Y448-W450 HydrophobicContact CE1-CB 4.06Å; Y448-W450 HydrophobicContact CE1-CE3 4.19Å; Y448-A453 HydrophobicContact CE2-CB 4.44Å; Y448-A453 VanDerWaalsContact OH-CB 3.3Å; Y448-A453 WeakPolarHBondContact OH-CB 3.38Å; Y448-D705 WeakPolarHBondContact CD2-OD1 3.3Å; Y448-D705 HydrophobicContact CE2-CB 4.48Å; Y448-I708 HydrophobicContact CD1-CG2 3.62Å; Y448-I708 HydrophobicContact CD2-CB 3.95Å; Y448-I708 HydrophobicContact CD2-CD1 4.37Å; Y448-I708 HydrophobicContact CD2-CG2 3.78Å; Y448-I708 HydrophobicContact CE1-CG2 3.59Å; Y448-I708 HydrophobicContact CE2-CB 3.95Å; Y448-I708 HydrophobicContact CE2-CG2 3.77Å; Y448-I708 HydrophobicContact CG-CB 4.3Å; Y448-I708 HydrophobicContact CG-CD1 4.33Å; Y448-I708 HydrophobicContact CG-CG2 3.7Å; Y448-T709 WeakPolarHBondContact CE2-OG1 3.28Å; Y448-T709 VanDerWaalsContact OH-CA 3.3Å; Y448-T709 WeakPolarHBondContact OH-CA 3.49Å; Y448-T709 PolarHBondContact OH-OG1 2.95Å; Y448-M712 HydrophobicContact CE1-CG 3.91Å
449	D	98.1	Very high	98.2	Very high	80 Å²	80	59.2 Å²	59.2	43%	0.428	29%	0.29	S	S	.	.			trans	-111.2	103.2	176.8	-177.1	-12	0	0	0	110.9	E447 R451 K452 A453	E447-D449 PolarHBondContact O-N 3.41Å; D449-R451 VanDerWaalsContact C-N 3.3Å; D449-R451 PolarHBondContact O-N 3.14Å; D449-R451 WeakPolarHBondContact OD1-CA 3.46Å; D449-R451 WeakPolarHBondContact OD1-CB 3.36Å; D449-R451 PolarHBondContact OD1-N 3.04Å; D449-K452 HydrophobicContact CB-CB 3.97Å; D449-K452 PolarHBondContact O-N 3.13Å; D449-K452 PolarHBondContact OD1-N 3.34Å; D449-K452 VanDerWaalsContact OD1-N 3.1Å; D449-A453 PolarHBondContact O-N 3.21Å
450	W	98.3	Very high	98.2	Very high	13 Å²	13	54.6 Å²	54.6	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-35.2	175.7	174.4	-102	0	0	0	112.7	V402 L407 Y448 K452 A453 E454 L457 M712 I716	V402-W450 HydrophobicContact CG2-CZ2 3.58Å; L407-W450 HydrophobicContact CD1-CG 4.49Å; L407-W450 HydrophobicContact CD2-CB 4.21Å; L407-W450 HydrophobicContact CD2-CG 3.85Å; Y448-W450 HydrophobicContact CE1-CB 4.06Å; Y448-W450 HydrophobicContact CE1-CE3 4.19Å; W450-K452 VanDerWaalsContact C-N 3.31Å; W450-K452 PolarHBondContact O-N 3.42Å; W450-A453 HydrophobicContact CE3-CB 4.18Å; W450-A453 CarbonylContact O-C 3.58Å; W450-A453 PolarHBondContact O-N 3.34Å; W450-A453 VanDerWaalsContact O-N 3.16Å; W450-E454 VanDerWaalsContact O-CB 3.22Å; W450-E454 WeakPolarHBondContact O-CB 3.36Å; W450-E454 PolarHBondContact O-N 3.34Å; W450-L457 HydrophobicContact CH2-CD1 4.19Å; W450-M712 HydrophobicContact CB-CE 4.23Å; W450-M712 HydrophobicContact CD2-CE 3.4Å; W450-M712 VanDerWaalsContact CD2-CE 3.4Å; W450-M712 HydrophobicContact CE3-CB 3.64Å; W450-M712 HydrophobicContact CE3-CE 3.38Å; W450-M712 HydrophobicContact CE3-CG 3.78Å; W450-M712 HydrophobicContact CE3-SD 4.4Å; W450-M712 HydrophobicContact CG-CE 3.78Å; W450-M712 HydrophobicContact CH2-CB 4.08Å; W450-M712 HydrophobicContact CH2-CE 4.48Å; W450-M712 HydrophobicContact CZ3-CB 3.26Å; W450-M712 HydrophobicContact CZ3-CE 3.97Å; W450-M712 HydrophobicContact CZ3-CG 3.96Å; W450-I716 HydrophobicContact CH2-CD1 4.14Å; W450-I716 HydrophobicContact CH2-CG1 4.18Å; W450-I716 HydrophobicContact CZ2-CD1 4Å; W450-I716 HydrophobicContact CZ2-CG1 4.26Å; W450-I716 HydrophobicContact CZ2-CG2 4.38Å
451	R	98.3	Very high	98.3	Very high	82 Å²	82	58.1 Å²	58.1	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-38	-178.4	-65.8	-62.6	-177.6	-157.9	-3.1	111	V402 D404 D449 E454 E455	V402-R451 VanDerWaalsContact O-CZ 3.26Å; V402-R451 PolarHBondContact O-NH1 3.18Å; V402-R451 PolarHBondContact O-NH2 2.89Å; D404-R451 IonicContact OD1-CZ 2.84Å; D404-R451 IonicContact OD1-NE 3.75Å; D404-R451 IonicContact OD1-NH2 3.84Å; D404-R451 PolarHBondContact OD1-NH2 2.86Å; D449-R451 VanDerWaalsContact C-N 3.3Å; D449-R451 PolarHBondContact O-N 3.14Å; D449-R451 WeakPolarHBondContact OD1-CA 3.46Å; D449-R451 WeakPolarHBondContact OD1-CB 3.36Å; D449-R451 PolarHBondContact OD1-N 3.04Å; R451-E454 IonicContact CZ-OE2 3.18Å; R451-E454 IonicContact NH1-OE1 3.67Å; R451-E454 PolarHBondContact NH1-OE1 2.58Å; R451-E454 IonicContact NH1-OE2 2.69Å; R451-E454 PolarHBondContact NH1-OE2 3.29Å; R451-E454 PolarHBondContact O-N 3.41Å; R451-E455 WeakPolarHBondContact O-CB 3.34Å; R451-E455 PolarHBondContact O-N 3.5Å
452	K	98.4	Very high	98.3	Very high	125 Å²	125	55.9 Å²	55.9	54%	0.543	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-42.5	170.2	-173.7	-179	179	-174.3	0	112.3	D449 W450 E455 N456	D449-K452 HydrophobicContact CB-CB 3.97Å; D449-K452 PolarHBondContact O-N 3.13Å; D449-K452 PolarHBondContact OD1-N 3.34Å; D449-K452 VanDerWaalsContact OD1-N 3.1Å; W450-K452 VanDerWaalsContact C-N 3.31Å; W450-K452 PolarHBondContact O-N 3.42Å; K452-E455 PolarHBondContact O-N 3.13Å; K452-N456 WeakPolarHBondContact O-CB 3.21Å; K452-N456 VanDerWaalsContact O-CG 3.28Å; K452-N456 PolarHBondContact O-N 3.37Å; K452-N456 PolarHBondContact O-ND2 2.82Å
453	A	98.4	Very high	98.4	Very high	9 Å²	9	55.4 Å²	55.4	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-43.6	175.2	0	0	0	0	0	111.7	Y448 D449 W450 N456 L457 T709	Y448-A453 HydrophobicContact CE2-CB 4.44Å; Y448-A453 VanDerWaalsContact OH-CB 3.3Å; Y448-A453 WeakPolarHBondContact OH-CB 3.38Å; D449-A453 PolarHBondContact O-N 3.21Å; W450-A453 HydrophobicContact CE3-CB 4.18Å; W450-A453 CarbonylContact O-C 3.58Å; W450-A453 PolarHBondContact O-N 3.34Å; W450-A453 VanDerWaalsContact O-N 3.16Å; A453-N456 WeakPolarHBondContact O-CB 3.17Å; A453-N456 PolarHBondContact O-N 3.49Å; A453-L457 VanDerWaalsContact O-CG 3.26Å; A453-L457 WeakPolarHBondContact O-CG 3.45Å; A453-L457 PolarHBondContact O-N 2.93Å; A453-T709 HydrophobicContact CB-CG2 4.35Å
454	E	98.4	Very high	98.4	Very high	20 Å²	20	55.3 Å²	55.3	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-41.6	176.7	-179	176.3	-111	0	0	112	I400 S401 V402 W450 R451 L457 N458	I400-E454 HydrophobicContact CG2-CG 4.36Å; S401-E454 VanDerWaalsContact CA-OE1 3.31Å; S401-E454 WeakPolarHBondContact CA-OE1 3.45Å; V402-E454 PolarHBondContact N-OE1 3.37Å; W450-E454 VanDerWaalsContact O-CB 3.22Å; W450-E454 WeakPolarHBondContact O-CB 3.36Å; W450-E454 PolarHBondContact O-N 3.34Å; R451-E454 IonicContact CZ-OE2 3.18Å; R451-E454 IonicContact NH1-OE1 3.67Å; R451-E454 PolarHBondContact NH1-OE1 2.58Å; R451-E454 IonicContact NH1-OE2 2.69Å; R451-E454 PolarHBondContact NH1-OE2 3.29Å; R451-E454 PolarHBondContact O-N 3.41Å; E454-L457 PolarHBondContact O-N 3.31Å; E454-N458 WeakPolarHBondContact O-CB 3.49Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 3.41Å
455	E	98.4	Very high	98.4	Very high	135 Å²	135	55 Å²	55	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-46.8	172.3	-175.7	179.4	-166.9	0	0	111.4	R451 K452 L457 N458 A459	R451-E455 WeakPolarHBondContact O-CB 3.34Å; R451-E455 PolarHBondContact O-N 3.5Å; K452-E455 PolarHBondContact O-N 3.13Å; E455-L457 VanDerWaalsContact C-N 3.32Å; E455-L457 PolarHBondContact O-N 2.84Å; E455-N458 CarbonylContact O-C 3.57Å; E455-N458 PolarHBondContact O-N 3.32Å; E455-A459 PolarHBondContact O-N 3.36Å
456	N	98	Very high	98.4	Very high	86 Å²	86	57.3 Å²	57.3	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-37.7	178.2	-74	-39.7	0	0	0	112.8	K452 A453 A459	K452-N456 WeakPolarHBondContact O-CB 3.21Å; K452-N456 VanDerWaalsContact O-CG 3.28Å; K452-N456 PolarHBondContact O-N 3.37Å; K452-N456 PolarHBondContact O-ND2 2.82Å; A453-N456 WeakPolarHBondContact O-CB 3.17Å; A453-N456 PolarHBondContact O-N 3.49Å; N456-A459 WeakPolarHBondContact O-CB 3.27Å
457	L	98.4	Very high	98.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-48.8	174.4	-68.3	169.2	0	0	0	110.2	I400 W450 A453 E454 E455 A459 F460 H462 F500 F501 T709 I713	I400-L457 HydrophobicContact CD1-CB 3.82Å; I400-L457 HydrophobicContact CD1-CD1 4.31Å; W450-L457 HydrophobicContact CH2-CD1 4.19Å; A453-L457 VanDerWaalsContact O-CG 3.26Å; A453-L457 WeakPolarHBondContact O-CG 3.45Å; A453-L457 PolarHBondContact O-N 2.93Å; E454-L457 PolarHBondContact O-N 3.31Å; E455-L457 VanDerWaalsContact C-N 3.32Å; E455-L457 PolarHBondContact O-N 2.84Å; L457-A459 PolarHBondContact O-N 2.92Å; L457-A459 VanDerWaalsContact O-N 3.07Å; L457-F460 VanDerWaalsContact O-CD2 3.22Å; L457-F460 WeakPolarHBondContact O-CD2 3.44Å; L457-F460 PolarHBondContact O-N 2.92Å; L457-F460 VanDerWaalsContact O-N 3.1Å; L457-H462 PolarHBondContact O-NE2 3.04Å; L457-F500 HydrophobicContact CD2-CE2 3.99Å; L457-F500 HydrophobicContact CD2-CZ 4.25Å; L457-F501 HydrophobicContact CD2-CD2 3.46Å; L457-F501 VanDerWaalsContact CD2-CD2 3.46Å; L457-F501 HydrophobicContact CD2-CE2 3.95Å; L457-F501 HydrophobicContact CD2-CG 4.36Å; L457-T709 HydrophobicContact CD1-CG2 4.19Å; L457-I713 HydrophobicContact CD1-CD1 4.44Å; L457-I713 HydrophobicContact CD1-CG1 4.47Å; L457-I713 HydrophobicContact CD2-CD1 4.41Å
458	N	98.5	Very high	98.4	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-5.8	179	-77.4	-54.7	0	0	0	114.8	R399 I400 E454 E455 F460	R399-N458 WeakPolarHBondContact CG-OD1 3.22Å; I400-N458 PolarHBondContact N-OD1 3.01Å; I400-N458 PolarHBondContact O-ND2 3.4Å; E454-N458 WeakPolarHBondContact O-CB 3.49Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 3.41Å; E455-N458 CarbonylContact O-C 3.57Å; E455-N458 PolarHBondContact O-N 3.32Å; N458-F460 PolarHBondContact O-N 2.97Å
459	A	97.8	Very high	98.3	Very high	69 Å²	69	45.2 Å²	45.2	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.2	169.5	0	0	0	0	0	112.6	E455 N456 L457	E455-A459 PolarHBondContact O-N 3.36Å; N456-A459 WeakPolarHBondContact O-CB 3.27Å; L457-A459 PolarHBondContact O-N 2.92Å; L457-A459 VanDerWaalsContact O-N 3.07Å
460	F	98.3	Very high	98.4	Very high	16 Å²	16	41.4 Å²	41.4	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-86.6	152.1	171.2	-57.5	-68	0	0	0	111.4	L457 N458 H462 I475 A504 I507 K508	L457-F460 VanDerWaalsContact O-CD2 3.22Å; L457-F460 WeakPolarHBondContact O-CD2 3.44Å; L457-F460 PolarHBondContact O-N 2.92Å; L457-F460 VanDerWaalsContact O-N 3.1Å; N458-F460 PolarHBondContact O-N 2.97Å; F460-H462 PolarHBondContact O-CD2 3.26Å; F460-H462 PolarHBondContact O-N 2.99Å; F460-H462 VanDerWaalsContact O-N 3.16Å; F460-I475 HydrophobicContact CB-CD1 3.87Å; F460-I475 HydrophobicContact CB-CG1 4.16Å; F460-I475 HydrophobicContact CB-CG2 3.96Å; F460-I475 HydrophobicContact CD2-CD1 4.16Å; F460-I475 HydrophobicContact CG-CD1 4.07Å; F460-A504 HydrophobicContact CE2-CB 3.93Å; F460-A504 HydrophobicContact CZ-CB 3.93Å; F460-A504 WeakPolarHBondContact CZ-O 3.31Å; F460-I507 HydrophobicContact CD1-CB 4.49Å; F460-I507 HydrophobicContact CD1-CD1 4.35Å; F460-I507 HydrophobicContact CD1-CG2 3.93Å; F460-I507 HydrophobicContact CE1-CB 4.01Å; F460-I507 HydrophobicContact CE1-CD1 4.27Å; F460-I507 HydrophobicContact CE1-CG2 3.84Å; F460-K508 HydrophobicContact CE1-CG 4.17Å
461	N	98.4	Very high	98.4	Very high	73 Å²	73	42 Å²	42	39%	0.39	21%	0.214	S	C	.	.			trans	-80.8	97.9	175.3	-62.6	-51.8	0	0	0	110.8	Y463 I475 H476 Q477	N461-Y463 HydrophobicContact CB-CE2 3.66Å; N461-Y463 WeakPolarHBondContact O-CD2 3.47Å; N461-Y463 WeakPolarHBondContact O-CE2 3.33Å; N461-I475 WeakPolarHBondContact O-CA 3.11Å; N461-H476 WeakPolarHBondContact CB-O 3.22Å; N461-H476 PolarHBondContact O-N 2.83Å; N461-Q477 PolarHBondContact ND2-OE1 3.34Å
462	H	98.8	Very high	98.4	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.8	176.7	-65	-96.8	0	0	0	112.2	F398 L457 F460 H473 F500	F398-H462 HydrophobicContact CB-CB 4.05Å; F398-H462 HydrophobicContact CD1-CB 4.02Å; F398-H462 PolarHBondContact N-O 2.89Å; F398-H462 WeakPolarHBondContact O-CB 3.38Å; L457-H462 PolarHBondContact O-NE2 3.04Å; F460-H462 PolarHBondContact O-CD2 3.26Å; F460-H462 PolarHBondContact O-N 2.99Å; F460-H462 VanDerWaalsContact O-N 3.16Å; H462-H473 AromaticContact CE1-NE2 3.78Å; H462-H473 AromaticContact CG-NE2 3.8Å; H462-H473 AromaticContact ND1-CD2 3.99Å; H462-H473 AromaticContact ND1-CE1 3.61Å; H462-H473 AromaticContact ND1-NE2 2.85Å; H462-H473 PolarHBondContact ND1-NE2 3.5Å; H462-F500 AromaticContact CE1-CE2 3.73Å
463	Y	98.9	Very high	98.4	Very high	61 Å²	61	32.1 Å²	32.1	24%	0.239	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.2	177.5	-60.5	-88.9	0	0	0	111.4	V395 A396 P397 N461 H473 F474 H476	V395-Y463 HydrophobicContact CG1-CD1 3.85Å; V395-Y463 HydrophobicContact CG1-CG 4.09Å; A396-Y463 CarbonylContact O-C 3.51Å; A396-Y463 WeakPolarHBondContact O-CA 3.17Å; P397-Y463 HydrophobicContact CG-CE1 4.38Å; N461-Y463 HydrophobicContact CB-CE2 3.66Å; N461-Y463 WeakPolarHBondContact O-CD2 3.47Å; N461-Y463 WeakPolarHBondContact O-CE2 3.33Å; Y463-H473 WeakPolarHBondContact O-CA 3.2Å; Y463-F474 VanDerWaalsContact CB-CZ 3.46Å; Y463-F474 HydrophobicContact CD2-CE2 4.12Å; Y463-F474 HydrophobicContact CG-CE2 4.2Å; Y463-F474 HydrophobicContact CG-CZ 4.25Å; Y463-F474 PolarHBondContact N-O 2.9Å; Y463-F474 PolarHBondContact O-N 3.02Å; Y463-H476 HydrophobicContact CD2-CB 3.81Å; Y463-H476 HydrophobicContact CE2-CB 3.77Å
464	Q	98.6	Very high	98.4	Very high	50 Å²	50	31.7 Å²	31.7	23%	0.234	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149	169.2	-79.4	-179.4	-26.8	0	0	111.1	A396 F398 I472 H473 F540	A396-Q464 PolarHBondContact N-O 3.25Å; A396-Q464 PolarHBondContact O-N 2.91Å; F398-Q464 HydrophobicContact CB-CG 4.12Å; F398-Q464 HydrophobicContact CD2-CG 4.02Å; F398-Q464 VanDerWaalsContact CD2-OE1 3.27Å; F398-Q464 HydrophobicContact CG-CG 4.12Å; Q464-I472 VanDerWaalsContact CA-O 3.32Å; Q464-I472 WeakPolarHBondContact CA-O 3.21Å; Q464-H473 HydrophobicContact CG-CB 4.07Å; Q464-F540 PolarHBondContact NE2-O 2.79Å; Q464-F540 VanDerWaalsContact NE2-O 3.08Å
465	T	98.7	Very high	98.5	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	153.9	173.9	-160.5	0	0	0	0	110.5	L394 I467 I472 F474 L561 R564	L394-T465 WeakPolarHBondContact O-CB 3.41Å; L394-T465 PolarHBondContact O-OG1 3.22Å; T465-I467 HydrophobicContact CG2-CD1 4.17Å; T465-I467 HydrophobicContact CG2-CG1 4.18Å; T465-I472 PolarHBondContact N-O 3.01Å; T465-I472 VanDerWaalsContact N-O 3.17Å; T465-I472 PolarHBondContact O-N 3.14Å; T465-F474 HydrophobicContact CG2-CE1 4.01Å; T465-L561 HydrophobicContact CG2-CD1 3.95Å; T465-R564 HydrophobicContact CG2-CG 4.48Å; T465-R564 PolarHBondContact OG1-NH1 3.17Å
466	E	98.6	Very high	98.5	Very high	76 Å²	76	25.1 Å²	25.1	36%	0.355	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.4	179.3	-65.8	-177.8	174.2	0	0	111.8	D391 N392 L470 R564	D391-E466 HydrophobicContact CB-CB 3.94Å; N392-E466 HydrophobicContact CB-CB 4.47Å; N392-E466 HydrophobicContact CB-CG 4.32Å; N392-E466 WeakPolarHBondContact CB-OE2 3.47Å; N392-E466 PolarHBondContact N-OE2 3.4Å; N392-E466 PolarHBondContact O-N 2.91Å; E466-L470 WeakPolarHBondContact CA-O 3.43Å; E466-R564 PolarHBondContact O-NH1 3.15Å; E466-R564 PolarHBondContact O-NH2 2.99Å; E466-R564 VanDerWaalsContact O-NH2 3.12Å
467	I	98.5	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	122.9	174.7	-54.9	178.7	0	0	0	108.9	D391 T465 G469 L470 I472 I557 K560 L561	D391-I467 WeakPolarHBondContact OD2-CA 3.48Å; T465-I467 HydrophobicContact CG2-CD1 4.17Å; T465-I467 HydrophobicContact CG2-CG1 4.18Å; I467-G469 VanDerWaalsContact C-N 3.26Å; I467-G469 PolarHBondContact O-N 2.86Å; I467-L470 PolarHBondContact N-O 2.79Å; I467-L470 PolarHBondContact O-N 3.42Å; I467-L470 VanDerWaalsContact O-N 3.13Å; I467-I472 HydrophobicContact CB-CG1 4.19Å; I467-I472 HydrophobicContact CG1-CG1 4.49Å; I467-I557 HydrophobicContact CB-CG2 4.15Å; I467-I557 HydrophobicContact CD1-CG2 4.47Å; I467-I557 HydrophobicContact CG2-CB 4.24Å; I467-I557 HydrophobicContact CG2-CG1 4.23Å; I467-I557 HydrophobicContact CG2-CG2 3.91Å; I467-K560 HydrophobicContact CD1-CB 4.3Å; I467-K560 HydrophobicContact CG2-CB 3.81Å; I467-K560 HydrophobicContact CG2-CD 3.75Å; I467-K560 HydrophobicContact CG2-CG 4.44Å; I467-L561 HydrophobicContact CD1-CB 3.65Å; I467-L561 HydrophobicContact CD1-CD1 4.25Å
468	E	97.7	Very high	98.5	Very high	5 Å²	5	29 Å²	29	2%	0.023	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.6	-179.7	-64.6	-173.2	-159.8	0	0	113.7	G381 Y382 F383 D391 L470 R556 I557 K560	G381-E468 VanDerWaalsContact CA-OE2 3.3Å; G381-E468 WeakPolarHBondContact CA-OE2 3.19Å; G381-E468 PolarHBondContact N-OE2 3.26Å; G381-E468 WeakPolarHBondContact O-CB 3.3Å; G381-E468 WeakPolarHBondContact O-CG 3.47Å; Y382-E468 WeakPolarHBondContact CA-O 3.45Å; F383-E468 HydrophobicContact CD2-CB 4.26Å; F383-E468 WeakPolarHBondContact CE2-OE2 3.11Å; F383-E468 PolarHBondContact N-O 2.88Å; D391-E468 VanDerWaalsContact CG-N 3.34Å; D391-E468 PolarHBondContact OD1-N 3.38Å; D391-E468 PolarHBondContact OD2-N 3.16Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.25Å; E468-R556 VanDerWaalsContact CD-NE 3.34Å; E468-R556 VanDerWaalsContact OE1-CD 3.29Å; E468-R556 WeakPolarHBondContact OE1-CD 3.08Å; E468-R556 IonicContact OE1-CZ 3.03Å; E468-R556 IonicContact OE1-NE 3.22Å; E468-R556 PolarHBondContact OE1-NE 3.07Å; E468-R556 IonicContact OE1-NH2 2.84Å; E468-R556 IonicContact OE2-CZ 2.61Å; E468-R556 IonicContact OE2-NE 3.8Å; E468-R556 PolarHBondContact OE2-NE 3.32Å; E468-R556 IonicContact OE2-NH2 2.99Å; E468-R556 PolarHBondContact OE2-NH2 2.86Å; E468-I557 HydrophobicContact CB-CG1 4.39Å; E468-I557 HydrophobicContact CG-CG1 4.45Å; E468-K560 HydrophobicContact CG-CD 4.5Å; E468-K560 WeakPolarHBondContact OE1-CE 3.2Å; E468-K560 IonicContact OE1-NZ 2.67Å; E468-K560 PolarHBondContact OE1-NZ 2.85Å
469	G	97.8	Very high	98.4	Very high	11 Å²	11	28.7 Å²	28.7	11%	0.113	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	11.5	179.8	0	0	0	0	0	115	G384 D391 I467	G384-G469 WeakPolarHBondContact CA-O 3.3Å; G384-G469 PolarHBondContact N-O 3.46Å; D391-G469 PolarHBondContact OD1-N 3.02Å; I467-G469 VanDerWaalsContact C-N 3.26Å; I467-G469 PolarHBondContact O-N 2.86Å
470	L	98.3	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.7	176.8	-59.7	178.9	0	0	0	111	F383 E466 I467 E468 I472 P536 Q542 P544 I557	F383-L470 HydrophobicContact CB-CD1 3.81Å; F383-L470 HydrophobicContact CB-CD2 3.92Å; F383-L470 HydrophobicContact CB-CG 3.85Å; F383-L470 HydrophobicContact CD2-CD1 4.39Å; F383-L470 HydrophobicContact CG-CD1 4.47Å; E466-L470 WeakPolarHBondContact CA-O 3.43Å; I467-L470 PolarHBondContact N-O 2.79Å; I467-L470 PolarHBondContact O-N 3.42Å; I467-L470 VanDerWaalsContact O-N 3.13Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.25Å; L470-I472 HydrophobicContact CB-CD1 3.8Å; L470-I472 HydrophobicContact CD1-CD1 4.47Å; L470-I472 PolarHBondContact O-N 3.48Å; L470-P536 HydrophobicContact CD1-CB 4.02Å; L470-Q542 HydrophobicContact CD2-CB 4.45Å; L470-Q542 HydrophobicContact CD2-CG 4.37Å; L470-P544 HydrophobicContact CD1-CG 4.03Å; L470-I557 HydrophobicContact CD1-CD1 4.41Å
471	S	98.5	Very high	98	Very high	26 Å²	26	39.4 Å²	39.4	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	111.6	163.5	-178.3	0	0	0	0	109.7	Q542	S471-Q542 WeakPolarHBondContact O-CB 3.27Å; S471-Q542 PolarHBondContact O-N 2.98Å
472	I	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.2	-178.9	-56.6	-56	0	0	0	109.2	Q464 T465 I467 L470 P536 I557 F558 L561	Q464-I472 VanDerWaalsContact CA-O 3.32Å; Q464-I472 WeakPolarHBondContact CA-O 3.21Å; T465-I472 PolarHBondContact N-O 3.01Å; T465-I472 VanDerWaalsContact N-O 3.17Å; T465-I472 PolarHBondContact O-N 3.14Å; I467-I472 HydrophobicContact CB-CG1 4.19Å; I467-I472 HydrophobicContact CG1-CG1 4.49Å; L470-I472 HydrophobicContact CB-CD1 3.8Å; L470-I472 HydrophobicContact CD1-CD1 4.47Å; L470-I472 PolarHBondContact O-N 3.48Å; I472-P536 HydrophobicContact CD1-CG 4.25Å; I472-I557 HydrophobicContact CD1-CG2 3.92Å; I472-I557 HydrophobicContact CG1-CG2 3.83Å; I472-F558 HydrophobicContact CG2-CE1 4.31Å; I472-L561 HydrophobicContact CG2-CD2 4.41Å
473	H	98.9	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.3	173.6	163.2	-100.5	0	0	0	111.3	F398 H462 Y463 Q464 F500 P533 S534 F540 S541	F398-H473 AromaticContact CD1-CD2 3.74Å; H462-H473 AromaticContact CE1-NE2 3.78Å; H462-H473 AromaticContact CG-NE2 3.8Å; H462-H473 AromaticContact ND1-CD2 3.99Å; H462-H473 AromaticContact ND1-CE1 3.61Å; H462-H473 AromaticContact ND1-NE2 2.85Å; H462-H473 PolarHBondContact ND1-NE2 3.5Å; Y463-H473 WeakPolarHBondContact O-CA 3.2Å; Q464-H473 HydrophobicContact CG-CB 4.07Å; H473-F500 AromaticContact CE1-CD1 3.77Å; H473-F500 AromaticContact CE1-CE1 3.88Å; H473-P533 WeakPolarHBondContact O-CA 3.34Å; H473-S534 PolarHBondContact ND1-OG 3.13Å; H473-S534 PolarHBondContact O-N 3.39Å; H473-F540 VanDerWaalsContact CB-C 3.42Å; H473-F540 HydrophobicContact CB-CB 3.72Å; H473-F540 WeakPolarHBondContact CB-O 3.46Å; H473-F540 AromaticContact CE1-CD2 3.85Å; H473-S541 PolarHBondContact N-OG 3.33Å; H473-S541 PolarHBondContact O-OG 3.33Å
474	F	98.9	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.8	173.3	61.2	-79.9	0	0	0	112.5	V395 Y463 T465 H476 V531 V532 P533 L561 L565	V395-F474 HydrophobicContact CG1-CZ 3.73Å; Y463-F474 VanDerWaalsContact CB-CZ 3.46Å; Y463-F474 HydrophobicContact CD2-CE2 4.12Å; Y463-F474 HydrophobicContact CG-CE2 4.2Å; Y463-F474 HydrophobicContact CG-CZ 4.25Å; Y463-F474 PolarHBondContact N-O 2.9Å; Y463-F474 PolarHBondContact O-N 3.02Å; T465-F474 HydrophobicContact CG2-CE1 4.01Å; F474-H476 HydrophobicContact CD2-CB 4.13Å; F474-H476 HydrophobicContact CE2-CB 4Å; F474-V531 HydrophobicContact CD2-CG1 4.17Å; F474-V532 CarbonylContact C-O 3.56Å; F474-V532 VanDerWaalsContact CA-O 3.31Å; F474-V532 WeakPolarHBondContact CA-O 3.36Å; F474-P533 HydrophobicContact CB-CB 4.03Å; F474-L561 HydrophobicContact CB-CD2 4.21Å; F474-L561 HydrophobicContact CD1-CD1 3.71Å; F474-L561 HydrophobicContact CD1-CD2 4.16Å; F474-L561 HydrophobicContact CE1-CD1 3.52Å; F474-L561 HydrophobicContact CE2-CD1 4.37Å; F474-L561 HydrophobicContact CG-CD1 4.22Å; F474-L561 HydrophobicContact CG-CD2 4.12Å; F474-L561 HydrophobicContact CZ-CD1 3.86Å; F474-L565 HydrophobicContact CD2-CD1 4.3Å; F474-L565 HydrophobicContact CE2-CD1 3.79Å; F474-L565 HydrophobicContact CE2-CD2 3.8Å; F474-L565 HydrophobicContact CE2-CG 4.32Å; F474-L565 HydrophobicContact CZ-CD1 4.39Å; F474-L565 HydrophobicContact CZ-CD2 3.86Å
475	I	98.9	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.7	163.4	-67.4	170.7	0	0	0	108.8	F460 N461 Q477 F500 I507 V531 V532	F460-I475 HydrophobicContact CB-CD1 3.87Å; F460-I475 HydrophobicContact CB-CG1 4.16Å; F460-I475 HydrophobicContact CB-CG2 3.96Å; F460-I475 HydrophobicContact CD2-CD1 4.16Å; F460-I475 HydrophobicContact CG-CD1 4.07Å; N461-I475 WeakPolarHBondContact O-CA 3.11Å; I475-Q477 HydrophobicContact CG2-CB 4.46Å; I475-F500 HydrophobicContact CD1-CD2 3.46Å; I475-F500 VanDerWaalsContact CD1-CD2 3.46Å; I475-F500 HydrophobicContact CD1-CE2 3.93Å; I475-F500 HydrophobicContact CD1-CG 4.36Å; I475-F500 HydrophobicContact CG1-CD2 4.38Å; I475-I507 HydrophobicContact CD1-CD1 4.09Å; I475-I507 HydrophobicContact CG2-CD1 4.32Å; I475-V531 CarbonylContact O-C 3.52Å; I475-V531 VanDerWaalsContact O-CA 3.3Å; I475-V531 WeakPolarHBondContact O-CA 3.42Å; I475-V532 HydrophobicContact CB-CB 4.3Å; I475-V532 PolarHBondContact N-O 2.81Å; I475-V532 PolarHBondContact O-N 3.41Å
476	H	98.8	Very high	96.3	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	98.1	169.8	-174.3	-163.3	0	0	0	111.5	N461 Y463 F474 Q529 V530	N461-H476 WeakPolarHBondContact CB-O 3.22Å; N461-H476 PolarHBondContact O-N 2.83Å; Y463-H476 HydrophobicContact CD2-CB 3.81Å; Y463-H476 HydrophobicContact CE2-CB 3.77Å; F474-H476 HydrophobicContact CD2-CB 4.13Å; F474-H476 HydrophobicContact CE2-CB 4Å; H476-Q529 PolarHBondContact CE1-NE2 2.98Å; H476-Q529 VanDerWaalsContact CE1-NE2 3.33Å; H476-Q529 PolarHBondContact NE2-NE2 3.08Å; H476-V530 CarbonylContact C-O 3.47Å; H476-V530 WeakPolarHBondContact CA-O 3.01Å
477	Q	98.5	Very high	96.2	Very high	41 Å²	41	47.9 Å²	47.9	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.4	-178.7	-161.1	66.7	24.1	0	0	110.8	N461 I475 I507 T511 Q529 V530	N461-Q477 PolarHBondContact ND2-OE1 3.34Å; I475-Q477 HydrophobicContact CG2-CB 4.46Å; Q477-I507 HydrophobicContact CB-CG2 3.77Å; Q477-I507 HydrophobicContact CG-CG2 3.93Å; Q477-T511 HydrophobicContact CB-CG2 3.92Å; Q477-T511 HydrophobicContact CG-CG2 3.7Å; Q477-Q529 CarbonylContact O-C 3.57Å; Q477-V530 PolarHBondContact N-O 3.15Å; Q477-V530 PolarHBondContact O-N 3.42Å
478	K	97.9	Very high	96.1	Very high	127 Å²	127	49.1 Å²	49.1	55%	0.552	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-102.7	148.8	176.6	-68.8	175.4	-179.1	175.9	0	109.8	Q529	K478-Q529 HydrophobicContact CG-CG 4.03Å
479	P	96.9	Very high	96.1	Very high	19 Å²	19	50 Å²	50	12%	0.123	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.8	160.2	171.7	29.4	-35.4	0	0	0	111.3	R481 Y484 V487 T511 A527	P479-R481 PolarHBondContact O-N 3.08Å; P479-Y484 HydrophobicContact CB-CD2 4.14Å; P479-V487 HydrophobicContact CG-CG1 3.73Å; P479-V487 HydrophobicContact CG-CG2 3.9Å; P479-T511 VanDerWaalsContact CA-O 3.28Å; P479-T511 WeakPolarHBondContact CA-O 3.45Å; P479-T511 WeakPolarHBondContact CB-O 3.3Å; P479-A527 HydrophobicContact CB-CB 3.93Å; P479-A527 HydrophobicContact CG-CB 4.49Å
480	P	95.1	Very high	96.2	Very high	53 Å²	53	49.4 Å²	49.4	34%	0.344	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-53.4	131.2	172.4	-24.9	33.4	0	0	0	111.9	G482 K483 T511 D512	P480-G482 PolarHBondContact O-N 3.19Å; P480-K483 HydrophobicContact CB-CB 4.18Å; P480-K483 HydrophobicContact CB-CD 4.21Å; P480-K483 HydrophobicContact CG-CD 4.35Å; P480-K483 PolarHBondContact O-N 2.91Å; P480-T511 WeakPolarHBondContact CD-O 3.41Å; P480-D512 HydrophobicContact CG-CB 4.19Å
481	R	92.7	Very high	96.2	Very high	257 Å²	257	49.4 Å²	49.4	97%	0.97	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	135.4	-178.4	-70.8	-174.5	179.1	-179.8	0.8	110.9	P479 K483	P479-R481 PolarHBondContact O-N 3.08Å; R481-K483 PolarHBondContact O-N 3.16Å
482	G	89.1	Confident	96.2	Very high	87 Å²	87	48.2 Å²	48.2	90%	0.897	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	0.2	173.6	0	0	0	0	0	115.9	P480	P480-G482 PolarHBondContact O-N 3.19Å
483	K	92.4	Very high	96.2	Very high	71 Å²	71	48.2 Å²	48.2	31%	0.309	25%	0.249	S	C	.	.	S	Bend	trans	-89.2	-20.8	-176.9	-169.7	173	-179.1	-174.5	0	114.3	P480 R481 D512 L514 S515	P480-K483 HydrophobicContact CB-CB 4.18Å; P480-K483 HydrophobicContact CB-CD 4.21Å; P480-K483 HydrophobicContact CG-CD 4.35Å; P480-K483 PolarHBondContact O-N 2.91Å; R481-K483 PolarHBondContact O-N 3.16Å; K483-D512 VanDerWaalsContact CE-OD1 3.31Å; K483-D512 WeakPolarHBondContact CE-OD1 3.41Å; K483-D512 VanDerWaalsContact NZ-CG 3.3Å; K483-D512 IonicContact NZ-OD1 3.8Å; K483-D512 PolarHBondContact NZ-OD1 2.8Å; K483-D512 IonicContact NZ-OD2 3.52Å; K483-D512 PolarHBondContact NZ-OD2 3.09Å; K483-L514 HydrophobicContact CG-CD1 4.04Å; K483-S515 PolarHBondContact NZ-OG 3.16Å
484	Y	93.5	Very high	96.2	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.075	25%	0.249	C	C	.	.			trans	-132.5	133.1	-172.6	-64	-86.5	0	0	0	111.8	P479 D512 P513 L514 A525 A527	P479-Y484 HydrophobicContact CB-CD2 4.14Å; Y484-D512 WeakPolarHBondContact OH-CA 3.3Å; Y484-D512 PolarHBondContact OH-OD1 2.83Å; Y484-P513 WeakPolarHBondContact OH-CD 3.23Å; Y484-P513 VanDerWaalsContact OH-N 3.12Å; Y484-L514 HydrophobicContact CD1-CD1 4.15Å; Y484-L514 HydrophobicContact CE1-CB 4.34Å; Y484-L514 HydrophobicContact CE1-CD1 3.51Å; Y484-L514 HydrophobicContact CE1-CG 3.66Å; Y484-L514 VanDerWaalsContact OH-CB 3.28Å; Y484-L514 WeakPolarHBondContact OH-CB 3.47Å; Y484-L514 PolarHBondContact OH-N 3.21Å; Y484-A525 HydrophobicContact CD1-CB 3.92Å; Y484-A525 HydrophobicContact CE1-CB 3.91Å; Y484-A527 HydrophobicContact CD1-CB 3.52Å; Y484-A527 HydrophobicContact CD2-CB 3.63Å; Y484-A527 HydrophobicContact CE1-CB 3.77Å; Y484-A527 HydrophobicContact CE2-CB 3.9Å; Y484-A527 HydrophobicContact CG-CB 3.44Å; Y484-A527 VanDerWaalsContact CG-CB 3.44Å
485	N	90.4	Very high	96.2	Very high	126 Å²	126	48.2 Å²	48.2	67%	0.674	25%	0.249	S	C	*	.	S	Bend	trans	-85.1	-25.7	174.7	-67.1	-27.2	0	0	0	112.8
486	H	92.6	Very high	96.1	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.407	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.1	-179.2	-58.3	96.6	0	0	0	109.3	I526 A527	H486-I526 HydrophobicContact CB-CG1 4.15Å; H486-I526 WeakPolarHBondContact O-CA 3.37Å; H486-A527 PolarHBondContact O-N 3.41Å
487	V	95.7	Very high	96	Very high	58 Å²	58	47.5 Å²	47.5	35%	0.352	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.9	178.4	179.7	0	0	0	0	110	P479 A527 Q529	P479-V487 HydrophobicContact CG-CG1 3.73Å; P479-V487 HydrophobicContact CG-CG2 3.9Å; V487-A527 VanDerWaalsContact CA-O 3.3Å; V487-A527 WeakPolarHBondContact CA-O 3.18Å; V487-Q529 HydrophobicContact CG1-CB 4.1Å
488	Y	97.1	Very high	96	Very high	27 Å²	27	45.6 Å²	45.6	11%	0.106	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.2	173.8	-67.8	-76.3	0	0	0	111.2	I490 I526 A527 F528 Q529 I571 I594 A801 T806	Y488-I490 PolarHBondContact O-N 3.21Å; Y488-I526 HydrophobicContact CD2-CG2 3.59Å; Y488-I526 HydrophobicContact CE2-CD1 4.26Å; Y488-I526 HydrophobicContact CE2-CG1 4.48Å; Y488-I526 HydrophobicContact CE2-CG2 3.86Å; Y488-A527 PolarHBondContact N-O 3.48Å; Y488-F528 CarbonylContact O-C 3.59Å; Y488-F528 VanDerWaalsContact O-CA 3.23Å; Y488-F528 WeakPolarHBondContact O-CA 3.19Å; Y488-Q529 PolarHBondContact O-N 3.46Å; Y488-I571 HydrophobicContact CD1-CD1 4.16Å; Y488-I571 HydrophobicContact CD2-CD1 4.39Å; Y488-I571 HydrophobicContact CG-CD1 3.84Å; Y488-I594 HydrophobicContact CD1-CD1 4.02Å; Y488-I594 HydrophobicContact CE1-CG2 4.47Å; Y488-A801 HydrophobicContact CD2-CB 4.04Å; Y488-A801 HydrophobicContact CE2-CB 4.02Å; Y488-T806 HydrophobicContact CE1-CG2 3.79Å; Y488-T806 PolarHBondContact OH-OG1 2.8Å
489	P	98.4	Very high	96	Very high	22 Å²	22	39.5 Å²	39.5	14%	0.143	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.6	163	-19.4	33.1	0	0	0	109.8	Q529 L567 Y570 I571	P489-Q529 CarbonylContact C-O 3.59Å; P489-Q529 WeakPolarHBondContact CA-O 3.37Å; P489-L567 HydrophobicContact CB-CD1 4.24Å; P489-L567 HydrophobicContact CB-CD2 3.95Å; P489-L567 HydrophobicContact CB-CG 4.47Å; P489-L567 HydrophobicContact CG-CD2 3.9Å; P489-Y570 CarbonylContact O-C 3.59Å; P489-Y570 VanDerWaalsContact O-CA 3.28Å; P489-Y570 WeakPolarHBondContact O-CA 3.3Å; P489-Y570 WeakPolarHBondContact O-CB 3.26Å; P489-I571 PolarHBondContact O-N 3.15Å
490	I	98.8	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.2	178.8	-168.7	168.8	0	0	0	110.7	Y488 L492 F528 Q529 V530 V531 I571 Q573 L797	Y488-I490 PolarHBondContact O-N 3.21Å; I490-L492 HydrophobicContact CD1-CD2 3.62Å; I490-L492 HydrophobicContact CG1-CD2 3.74Å; I490-L492 HydrophobicContact CG2-CD2 4.38Å; I490-F528 HydrophobicContact CB-CD1 4.02Å; I490-F528 HydrophobicContact CD1-CD1 4.13Å; I490-F528 HydrophobicContact CD1-CE1 4.3Å; I490-F528 HydrophobicContact CG2-CB 3.71Å; I490-F528 HydrophobicContact CG2-CD1 3.96Å; I490-F528 HydrophobicContact CG2-CG 4.17Å; I490-Q529 PolarHBondContact N-O 3.24Å; I490-V530 HydrophobicContact CG2-CB 4.26Å; I490-V530 HydrophobicContact CG2-CG1 4.43Å; I490-V530 HydrophobicContact CG2-CG2 3.81Å; I490-V531 PolarHBondContact O-N 3.48Å; I490-I571 CarbonylContact C-O 3.59Å; I490-I571 VanDerWaalsContact CA-O 3.31Å; I490-I571 WeakPolarHBondContact CA-O 3.47Å; I490-I571 HydrophobicContact CB-CB 4.21Å; I490-I571 HydrophobicContact CD1-CB 4.22Å; I490-I571 HydrophobicContact CD1-CG2 3.77Å; I490-I571 HydrophobicContact CG1-CB 3.88Å; I490-I571 HydrophobicContact CG1-CG2 3.85Å; I490-Q573 HydrophobicContact CD1-CB 4.35Å; I490-L797 HydrophobicContact CD1-CD1 4.39Å; I490-L797 HydrophobicContact CD1-CD2 4.03Å
491	L	98.9	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.9	172.5	-178.1	72.1	0	0	0	108.9	V493 V531 P533 F558 M562 Y570 I571 L572 Q573 M585	L491-V493 HydrophobicContact CD2-CG2 4.12Å; L491-V493 HydrophobicContact CG-CG2 3.97Å; L491-V531 WeakPolarHBondContact CA-O 3.48Å; L491-V531 HydrophobicContact CD1-CB 3.92Å; L491-V531 HydrophobicContact CD1-CG1 3.7Å; L491-P533 VanDerWaalsContact CD1-CD 3.43Å; L491-P533 HydrophobicContact CD1-CG 3.8Å; L491-F558 HydrophobicContact CD2-CB 4.11Å; L491-F558 HydrophobicContact CD2-CD2 4.45Å; L491-M562 HydrophobicContact CB-CE 4.29Å; L491-M562 HydrophobicContact CB-SD 4.31Å; L491-M562 HydrophobicContact CD1-SD 3.87Å; L491-M562 HydrophobicContact CD2-CG 4.29Å; L491-M562 HydrophobicContact CG-SD 4.48Å; L491-Y570 HydrophobicContact CB-CD2 4.33Å; L491-I571 PolarHBondContact N-O 3.35Å; L491-L572 HydrophobicContact CB-CD2 4.15Å; L491-L572 HydrophobicContact CD2-CD2 3.81Å; L491-L572 HydrophobicContact CG-CD2 4.44Å; L491-Q573 PolarHBondContact O-N 3.44Å; L491-M585 HydrophobicContact CD2-CE 3.67Å; L491-M585 HydrophobicContact CD2-SD 3.86Å
492	L	98.9	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.8	178.6	-51.5	178.5	0	0	0	109.3	I490 Y503 L506 L510 V530 V531 V532 P533 Q573	I490-L492 HydrophobicContact CD1-CD2 3.62Å; I490-L492 HydrophobicContact CG1-CD2 3.74Å; I490-L492 HydrophobicContact CG2-CD2 4.38Å; L492-Y503 HydrophobicContact CB-CD1 3.97Å; L492-Y503 HydrophobicContact CB-CD2 4.23Å; L492-Y503 HydrophobicContact CB-CE1 3.76Å; L492-Y503 HydrophobicContact CB-CE2 4.03Å; L492-Y503 HydrophobicContact CB-CG 4.17Å; L492-Y503 HydrophobicContact CD1-CD1 3.67Å; L492-Y503 HydrophobicContact CD1-CE1 4.13Å; L492-Y503 HydrophobicContact CD1-CG 4.05Å; L492-Y503 HydrophobicContact CD2-CE1 4.49Å; L492-Y503 HydrophobicContact CG-CD1 4.35Å; L492-Y503 HydrophobicContact CG-CE1 4.35Å; L492-L506 HydrophobicContact CD1-CD2 4.25Å; L492-L510 HydrophobicContact CD1-CD1 4.24Å; L492-V530 HydrophobicContact CD1-CG1 3.53Å; L492-V530 HydrophobicContact CG-CG1 4.06Å; L492-V531 PolarHBondContact N-O 2.95Å; L492-V532 HydrophobicContact CB-CG1 4.49Å; L492-V532 HydrophobicContact CB-CG2 4.04Å; L492-V532 HydrophobicContact CD1-CG2 4Å; L492-V532 HydrophobicContact CG-CG2 4.34Å; L492-P533 WeakPolarHBondContact O-CD 3.37Å; L492-Q573 HydrophobicContact CD2-CB 3.62Å; L492-Q573 HydrophobicContact CD2-CG 4.26Å
493	V	98.9	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.4	-176.1	-169.9	0	0	0	0	110.6	L491 Y503 L535 F558 Q573 T575 G578 V581 T582	L491-V493 HydrophobicContact CD2-CG2 4.12Å; L491-V493 HydrophobicContact CG-CG2 3.97Å; V493-Y503 VanDerWaalsContact C-OH 3.25Å; V493-Y503 PolarHBondContact N-OH 3.48Å; V493-Y503 PolarHBondContact O-OH 3.34Å; V493-L535 HydrophobicContact CG1-CD2 3.66Å; V493-F558 HydrophobicContact CG1-CD2 4.42Å; V493-F558 HydrophobicContact CG1-CE2 3.74Å; V493-F558 HydrophobicContact CG2-CD2 4.07Å; V493-F558 HydrophobicContact CG2-CE2 4.08Å; V493-Q573 PolarHBondContact N-O 3.04Å; V493-T575 PolarHBondContact O-N 2.7Å; V493-G578 VanDerWaalsContact CG1-CA 3.43Å; V493-G578 WeakPolarHBondContact O-CA 3.23Å; V493-V581 HydrophobicContact CG1-CB 4.42Å; V493-V581 HydrophobicContact CG1-CG1 4.43Å; V493-T582 HydrophobicContact CB-CG2 3.94Å; V493-T582 HydrophobicContact CG2-CG2 3.6Å
494	H	98.6	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.			trans	-77.3	176	178.3	71.3	87.6	0	0	0	111.7	S499 F500 Y503 P533 S534 L535 Y538 G578	H494-S499 WeakPolarHBondContact CB-O 3.26Å; H494-S499 VanDerWaalsContact CG-C 3.41Å; H494-F500 PolarHBondContact CD2-N 2.84Å; H494-Y503 HydrophobicContact CB-CD2 4.48Å; H494-Y503 HydrophobicContact CB-CE2 3.81Å; H494-P533 PolarHBondContact CD2-O 3.1Å; H494-S534 WeakPolarHBondContact NE2-CA 3.48Å; H494-L535 PolarHBondContact NE2-N 2.98Å; H494-L535 WeakPolarHBondContact O-CD1 3.35Å; H494-Y538 AromaticContact CE1-CD1 3.61Å; H494-Y538 AromaticContact CE1-CG 3.89Å; H494-G578 WeakPolarHBondContact O-CA 3.46Å; H494-G578 PolarHBondContact O-N 3.1Å; H494-G578 VanDerWaalsContact O-N 3.11Å
495	G	97.6	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.			trans	-132.2	-144.8	166.1	0	0	0	0	0	113.7	S498 D576	G495-S498 CarbonylContact O-C 3.59Å; G495-S498 VanDerWaalsContact O-C 3.28Å; G495-S498 WeakPolarHBondContact O-CA 3.38Å; G495-S498 PolarHBondContact O-N 2.91Å; G495-S498 VanDerWaalsContact O-O 3.07Å; G495-D576 VanDerWaalsContact CA-OD2 3.32Å; G495-D576 WeakPolarHBondContact CA-OD2 3.47Å
496	W	98	Very high	97.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	8%	0.078	C	C	.	.	S	Bend	trans	-112.6	143.8	-174.8	-175.3	86.3	0	0	0	111.4	Y538 D576 Y653 Y678 K682 W686 Y727	W496-Y538 HydrophobicContact CB-CE1 4.18Å; W496-D576 PolarHBondContact N-OD2 2.94Å; W496-Y653 AromaticContact CE3-CD2 3.98Å; W496-Y653 HydrophobicContact CE3-CD2 3.98Å; W496-Y653 AromaticContact CE3-CE2 3.76Å; W496-Y653 HydrophobicContact CE3-CE2 3.76Å; W496-Y653 AromaticContact CH2-CD2 3.66Å; W496-Y653 HydrophobicContact CH2-CD2 3.66Å; W496-Y653 HydrophobicContact CH2-CE2 4.26Å; W496-Y653 HydrophobicContact CH2-CG 4.28Å; W496-Y653 AromaticContact CZ3-CD2 3.25Å; W496-Y653 HydrophobicContact CZ3-CD2 3.25Å; W496-Y653 AromaticContact CZ3-CE2 3.39Å; W496-Y653 HydrophobicContact CZ3-CE2 3.39Å; W496-Y653 HydrophobicContact CZ3-CG 4.09Å; W496-Y678 HydrophobicContact CH2-CD1 4.23Å; W496-Y678 AromaticContact CH2-CE1 3.76Å; W496-Y678 HydrophobicContact CH2-CE1 3.76Å; W496-Y678 AromaticContact CZ2-CD1 3.96Å; W496-Y678 HydrophobicContact CZ2-CD1 3.96Å; W496-Y678 AromaticContact CZ2-CE1 3.57Å; W496-Y678 HydrophobicContact CZ2-CE1 3.57Å; W496-K682 HydrophobicContact CH2-CG 4.08Å; W496-K682 HydrophobicContact CZ3-CG 3.99Å; W496-W686 AromaticContact CE3-CH2 3.78Å; W496-W686 HydrophobicContact CE3-CH2 3.78Å; W496-W686 HydrophobicContact CE3-CZ3 4.14Å; W496-W686 AromaticContact CZ3-CH2 3.55Å; W496-W686 HydrophobicContact CZ3-CH2 3.55Å; W496-W686 HydrophobicContact CZ3-CZ2 4.33Å; W496-W686 HydrophobicContact CZ3-CZ3 4.16Å; W496-Y727 HydrophobicContact CB-CE2 4.32Å; W496-Y727 HydrophobicContact CD2-CE2 4.23Å; W496-Y727 VanDerWaalsContact CE3-OH 3.29Å; W496-Y727 HydrophobicContact CG-CE2 4.12Å
497	P	97.1	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	S	Bend	cis	-83	24.1	-3.1	36	-36.9	0	0	0	113.6	I679 K682 Y683 Q710 Y714 F784	P497-I679 HydrophobicContact CB-CB 4.32Å; P497-I679 HydrophobicContact CB-CG1 3.98Å; P497-I679 HydrophobicContact CB-CG2 3.96Å; P497-I679 HydrophobicContact CG-CG2 4.06Å; P497-K682 HydrophobicContact CG-CB 3.99Å; P497-K682 HydrophobicContact CG-CG 4.42Å; P497-Y683 HydrophobicContact CG-CD2 4.47Å; P497-Y683 HydrophobicContact CG-CE2 4.18Å; P497-Q710 PolarHBondContact O-NE2 2.82Å; P497-Y714 VanDerWaalsContact C-OH 3.29Å; P497-Y714 WeakPolarHBondContact O-CE2 3.28Å; P497-Y714 PolarHBondContact O-OH 2.89Å; P497-F784 HydrophobicContact CG-CZ 4.31Å
498	S	97.5	Very high	98.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	7%	0.065	C	C	.	.			trans	-78.1	-178.3	-178.4	-162.5	0	0	0	0	113.4	G495 E502 Q710 Y714	G495-S498 CarbonylContact O-C 3.59Å; G495-S498 VanDerWaalsContact O-C 3.28Å; G495-S498 WeakPolarHBondContact O-CA 3.38Å; G495-S498 PolarHBondContact O-N 2.91Å; G495-S498 VanDerWaalsContact O-O 3.07Å; S498-E502 WeakPolarHBondContact CB-OE2 3.12Å; S498-E502 VanDerWaalsContact OG-CB 3.23Å; S498-E502 WeakPolarHBondContact OG-CB 3.49Å; S498-E502 VanDerWaalsContact OG-CD 3.28Å; S498-E502 WeakPolarHBondContact OG-CG 3.38Å; S498-E502 PolarHBondContact OG-OE2 2.92Å; S498-Q710 VanDerWaalsContact CA-NE2 3.26Å; S498-Q710 PolarHBondContact O-NE2 3.11Å; S498-Y714 WeakPolarHBondContact O-CE2 3.13Å; S498-Y714 PolarHBondContact O-OH 2.94Å
499	S	98.3	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.			trans	-147.7	-174.8	175.6	76.1	0	0	0	0	110	H494 F501 E502 Q710	H494-S499 WeakPolarHBondContact CB-O 3.26Å; H494-S499 VanDerWaalsContact CG-C 3.41Å; S499-F501 PolarHBondContact O-N 3.09Å; S499-F501 VanDerWaalsContact OG-CB 3.29Å; S499-F501 WeakPolarHBondContact OG-CB 3.34Å; S499-F501 PolarHBondContact OG-N 3.38Å; S499-F501 VanDerWaalsContact OG-N 3.15Å; S499-E502 WeakPolarHBondContact O-CB 3.37Å; S499-E502 PolarHBondContact O-N 2.75Å; S499-E502 VanDerWaalsContact O-N 3.12Å; S499-Q710 VanDerWaalsContact N-NE2 3.18Å; S499-Q710 PolarHBondContact OG-OE1 3.45Å
500	F	98.5	Very high	98.1	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-52.9	-24.6	170.4	71.2	-91.9	0	0	0	112.8	I400 L457 H462 H473 I475 H494 E502 Y503 V532 S534 A539 F540 I713	I400-F500 HydrophobicContact CD1-CZ 4.18Å; L457-F500 HydrophobicContact CD2-CE2 3.99Å; L457-F500 HydrophobicContact CD2-CZ 4.25Å; H462-F500 AromaticContact CE1-CE2 3.73Å; H473-F500 AromaticContact CE1-CD1 3.77Å; H473-F500 AromaticContact CE1-CE1 3.88Å; I475-F500 HydrophobicContact CD1-CD2 3.46Å; I475-F500 VanDerWaalsContact CD1-CD2 3.46Å; I475-F500 HydrophobicContact CD1-CE2 3.93Å; I475-F500 HydrophobicContact CD1-CG 4.36Å; I475-F500 HydrophobicContact CG1-CD2 4.38Å; H494-F500 PolarHBondContact CD2-N 2.84Å; F500-E502 PolarHBondContact O-N 2.93Å; F500-Y503 PolarHBondContact O-N 2.8Å; F500-V532 HydrophobicContact CB-CG1 3.82Å; F500-S534 WeakPolarHBondContact CD1-OG 3.41Å; F500-A539 HydrophobicContact CD1-CB 4.03Å; F500-A539 HydrophobicContact CE1-CB 3.96Å; F500-F540 AromaticContact CE1-CD2 3.82Å; F500-F540 HydrophobicContact CE1-CD2 3.82Å; F500-F540 AromaticContact CE1-CE2 3.69Å; F500-F540 HydrophobicContact CE1-CE2 3.69Å; F500-F540 HydrophobicContact CZ-CD2 4.35Å; F500-F540 AromaticContact CZ-CE2 3.91Å; F500-F540 HydrophobicContact CZ-CE2 3.91Å; F500-I713 HydrophobicContact CE1-CD1 4.36Å; F500-I713 HydrophobicContact CE1-CG2 4.38Å; F500-I713 HydrophobicContact CZ-CD1 4.16Å
501	F	98.5	Very high	98.1	Very high	26 Å²	26	12.6 Å²	12.6	11%	0.114	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24	-179.7	-179.4	-115.1	0	0	0	113.7	L457 S499 Y503 A504 E706 T709 Q710 I713 M787	L457-F501 HydrophobicContact CD2-CD2 3.46Å; L457-F501 VanDerWaalsContact CD2-CD2 3.46Å; L457-F501 HydrophobicContact CD2-CE2 3.95Å; L457-F501 HydrophobicContact CD2-CG 4.36Å; S499-F501 PolarHBondContact O-N 3.09Å; S499-F501 VanDerWaalsContact OG-CB 3.29Å; S499-F501 WeakPolarHBondContact OG-CB 3.34Å; S499-F501 PolarHBondContact OG-N 3.38Å; S499-F501 VanDerWaalsContact OG-N 3.15Å; F501-Y503 PolarHBondContact O-N 3.02Å; F501-A504 HydrophobicContact CD2-CB 3.8Å; F501-A504 HydrophobicContact CE2-CB 3.96Å; F501-A504 VanDerWaalsContact O-CB 3.24Å; F501-A504 WeakPolarHBondContact O-CB 3.5Å; F501-A504 PolarHBondContact O-N 2.79Å; F501-E706 HydrophobicContact CE1-CB 4.34Å; F501-E706 HydrophobicContact CE1-CG 4.5Å; F501-E706 WeakPolarHBondContact CE1-O 3.4Å; F501-E706 HydrophobicContact CZ-CG 4.34Å; F501-T709 HydrophobicContact CD1-CG2 4.29Å; F501-T709 HydrophobicContact CD2-CG2 4.24Å; F501-T709 HydrophobicContact CE1-CG2 3.93Å; F501-T709 HydrophobicContact CE2-CG2 3.86Å; F501-T709 HydrophobicContact CG-CG2 4.43Å; F501-T709 HydrophobicContact CZ-CG2 3.7Å; F501-Q710 HydrophobicContact CD1-CB 4.25Å; F501-I713 HydrophobicContact CB-CD1 3.52Å; F501-I713 HydrophobicContact CD1-CD1 4.5Å; F501-I713 HydrophobicContact CG-CD1 3.97Å; F501-M787 HydrophobicContact CE1-CE 4.23Å
502	E	98	Very high	98	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-51.2	-35.3	173.5	-153	175.7	154	0	0	112	S498 S499 F500 I786 M787	S498-E502 WeakPolarHBondContact CB-OE2 3.12Å; S498-E502 VanDerWaalsContact OG-CB 3.23Å; S498-E502 WeakPolarHBondContact OG-CB 3.49Å; S498-E502 VanDerWaalsContact OG-CD 3.28Å; S498-E502 WeakPolarHBondContact OG-CG 3.38Å; S498-E502 PolarHBondContact OG-OE2 2.92Å; S499-E502 WeakPolarHBondContact O-CB 3.37Å; S499-E502 PolarHBondContact O-N 2.75Å; S499-E502 VanDerWaalsContact O-N 3.12Å; F500-E502 PolarHBondContact O-N 2.93Å; E502-I786 HydrophobicContact CG-CB 4.24Å; E502-I786 HydrophobicContact CG-CG2 4.4Å; E502-I786 WeakPolarHBondContact O-CG2 3.47Å; E502-I786 WeakPolarHBondContact OE1-CD1 3.22Å; E502-M787 HydrophobicContact CB-CG 4.37Å; E502-M787 HydrophobicContact CB-SD 4.46Å; E502-M787 HydrophobicContact CG-CG 3.69Å; E502-M787 HydrophobicContact CG-SD 3.97Å; E502-M787 WeakPolarHBondContact O-CG 3.36Å
503	Y	98.5	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-89.1	-0.1	-176.3	-62.7	-72.9	0	0	0	113.8	L492 V493 H494 F500 F501 K505 L506 I507 V532 Q573 I786	L492-Y503 HydrophobicContact CB-CD1 3.97Å; L492-Y503 HydrophobicContact CB-CD2 4.23Å; L492-Y503 HydrophobicContact CB-CE1 3.76Å; L492-Y503 HydrophobicContact CB-CE2 4.03Å; L492-Y503 HydrophobicContact CB-CG 4.17Å; L492-Y503 HydrophobicContact CD1-CD1 3.67Å; L492-Y503 HydrophobicContact CD1-CE1 4.13Å; L492-Y503 HydrophobicContact CD1-CG 4.05Å; L492-Y503 HydrophobicContact CD2-CE1 4.49Å; L492-Y503 HydrophobicContact CG-CD1 4.35Å; L492-Y503 HydrophobicContact CG-CE1 4.35Å; V493-Y503 VanDerWaalsContact C-OH 3.25Å; V493-Y503 PolarHBondContact N-OH 3.48Å; V493-Y503 PolarHBondContact O-OH 3.34Å; H494-Y503 HydrophobicContact CB-CD2 4.48Å; H494-Y503 HydrophobicContact CB-CE2 3.81Å; F500-Y503 PolarHBondContact O-N 2.8Å; F501-Y503 PolarHBondContact O-N 3.02Å; Y503-K505 PolarHBondContact O-N 2.96Å; Y503-L506 HydrophobicContact CD1-CD2 3.84Å; Y503-L506 HydrophobicContact CE1-CD2 4.27Å; Y503-L506 CarbonylContact O-C 3.52Å; Y503-L506 WeakPolarHBondContact O-CA 3.4Å; Y503-L506 PolarHBondContact O-N 3.24Å; Y503-I507 VanDerWaalsContact O-CG1 3.26Å; Y503-I507 WeakPolarHBondContact O-CG1 3.39Å; Y503-I507 PolarHBondContact O-N 2.9Å; Y503-V532 HydrophobicContact CD2-CG1 3.55Å; Y503-V532 HydrophobicContact CE2-CG1 4.21Å; Y503-V532 HydrophobicContact CG-CG1 4.21Å; Y503-Q573 VanDerWaalsContact CZ-OE1 3.25Å; Y503-Q573 PolarHBondContact OH-OE1 3.27Å; Y503-I786 HydrophobicContact CD1-CD1 4.26Å; Y503-I786 HydrophobicContact CD1-CG2 3.73Å; Y503-I786 HydrophobicContact CE1-CD1 3.44Å; Y503-I786 VanDerWaalsContact CE1-CD1 3.44Å; Y503-I786 HydrophobicContact CE1-CG1 4.2Å; Y503-I786 HydrophobicContact CE1-CG2 4.05Å
504	A	97.7	Very high	97.8	Very high	15 Å²	15	15.6 Å²	15.6	12%	0.124	8%	0.075	C	C	.	.	H	α-helix	trans	-55.4	-46.9	-172.3	0	0	0	0	0	112.9	F460 F501	F460-A504 HydrophobicContact CE2-CB 3.93Å; F460-A504 HydrophobicContact CZ-CB 3.93Å; F460-A504 WeakPolarHBondContact CZ-O 3.31Å; F501-A504 HydrophobicContact CD2-CB 3.8Å; F501-A504 HydrophobicContact CE2-CB 3.96Å; F501-A504 VanDerWaalsContact O-CB 3.24Å; F501-A504 WeakPolarHBondContact O-CB 3.5Å; F501-A504 PolarHBondContact O-N 2.79Å
505	K	97.5	Very high	97.6	Very high	84 Å²	84	19.3 Å²	19.3	37%	0.365	10%	0.101	S	C	.	.	H	α-helix	trans	-67	-40.9	173.9	-68.7	179.7	-179.4	158.3	0	111.6	Y503 I509 E706 P790	Y503-K505 PolarHBondContact O-N 2.96Å; K505-I509 WeakPolarHBondContact O-CG1 3.49Å; K505-I509 PolarHBondContact O-N 3.33Å; K505-E706 WeakPolarHBondContact CE-OE1 3.28Å; K505-E706 IonicContact NZ-OE1 2.97Å; K505-E706 PolarHBondContact NZ-OE1 3.44Å; K505-E706 IonicContact NZ-OE2 2.76Å; K505-E706 PolarHBondContact NZ-OE2 3.16Å; K505-P790 HydrophobicContact CB-CB 3.94Å; K505-P790 HydrophobicContact CB-CG 4.16Å; K505-P790 HydrophobicContact CD-CG 4Å
506	L	98.3	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-38.5	-176.7	-171.3	66.1	0	0	0	112.9	L492 Y503 K508 I509 L510 I786 F793 A794 L797	L492-L506 HydrophobicContact CD1-CD2 4.25Å; Y503-L506 HydrophobicContact CD1-CD2 3.84Å; Y503-L506 HydrophobicContact CE1-CD2 4.27Å; Y503-L506 CarbonylContact O-C 3.52Å; Y503-L506 WeakPolarHBondContact O-CA 3.4Å; Y503-L506 PolarHBondContact O-N 3.24Å; L506-K508 VanDerWaalsContact C-N 3.32Å; L506-K508 PolarHBondContact O-N 3.49Å; L506-I509 PolarHBondContact O-N 2.84Å; L506-I509 VanDerWaalsContact O-N 3.14Å; L506-L510 HydrophobicContact CD1-CD1 4.12Å; L506-L510 HydrophobicContact CD1-CD2 4.25Å; L506-L510 HydrophobicContact CD1-CG 3.91Å; L506-L510 HydrophobicContact CD2-CD1 3.87Å; L506-L510 HydrophobicContact CG-CD1 3.65Å; L506-L510 HydrophobicContact CG-CG 3.86Å; L506-L510 WeakPolarHBondContact O-CG 3.36Å; L506-L510 PolarHBondContact O-N 2.84Å; L506-I786 HydrophobicContact CB-CG2 4.11Å; L506-I786 HydrophobicContact CD2-CG2 4.03Å; L506-F793 HydrophobicContact CD1-CD1 4.42Å; L506-F793 HydrophobicContact CD2-CD1 3.96Å; L506-F793 HydrophobicContact CD2-CE1 4.32Å; L506-A794 HydrophobicContact CD1-CB 3.75Å; L506-L797 HydrophobicContact CD2-CD1 4.07Å
507	I	98.4	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-46.6	179	-69.1	159.1	0	0	0	110.4	F460 I475 Q477 Y503 I509 L510 T511 V530 V532	F460-I507 HydrophobicContact CD1-CB 4.49Å; F460-I507 HydrophobicContact CD1-CD1 4.35Å; F460-I507 HydrophobicContact CD1-CG2 3.93Å; F460-I507 HydrophobicContact CE1-CB 4.01Å; F460-I507 HydrophobicContact CE1-CD1 4.27Å; F460-I507 HydrophobicContact CE1-CG2 3.84Å; I475-I507 HydrophobicContact CD1-CD1 4.09Å; I475-I507 HydrophobicContact CG2-CD1 4.32Å; Q477-I507 HydrophobicContact CB-CG2 3.77Å; Q477-I507 HydrophobicContact CG-CG2 3.93Å; Y503-I507 VanDerWaalsContact O-CG1 3.26Å; Y503-I507 WeakPolarHBondContact O-CG1 3.39Å; Y503-I507 PolarHBondContact O-N 2.9Å; I507-I509 VanDerWaalsContact C-N 3.3Å; I507-I509 PolarHBondContact O-N 3.5Å; I507-L510 PolarHBondContact O-N 3.47Å; I507-T511 HydrophobicContact CG2-CG2 4.35Å; I507-T511 WeakPolarHBondContact O-CB 3.4Å; I507-T511 VanDerWaalsContact O-CG2 3.26Å; I507-T511 WeakPolarHBondContact O-CG2 3.31Å; I507-T511 PolarHBondContact O-N 3.41Å; I507-T511 VanDerWaalsContact O-N 3.09Å; I507-T511 PolarHBondContact O-OG1 3.1Å; I507-V530 HydrophobicContact CG1-CG1 3.96Å; I507-V532 HydrophobicContact CD1-CG2 3.82Å; I507-V532 HydrophobicContact CG1-CG2 3.98Å
508	K	96.4	Very high	97.2	Very high	110 Å²	110	27.3 Å²	27.3	48%	0.478	16%	0.155	S	C	.	.	H	α-helix	trans	-59	-44.8	178	-65.6	-177.4	178.9	-178.6	0	110.8	F460 L506 T511 D512	F460-K508 HydrophobicContact CE1-CG 4.17Å; L506-K508 VanDerWaalsContact C-N 3.32Å; L506-K508 PolarHBondContact O-N 3.49Å; K508-T511 PolarHBondContact O-OG1 2.88Å; K508-D512 PolarHBondContact O-N 3.27Å
509	I	98.1	Very high	96.9	Very high	8 Å²	8	28 Å²	28	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-49.1	-179.6	-61.3	169	0	0	0	112.6	K505 L506 I507 T511 D512 P513 E516 L518 P790 R791 A794	K505-I509 WeakPolarHBondContact O-CG1 3.49Å; K505-I509 PolarHBondContact O-N 3.33Å; L506-I509 PolarHBondContact O-N 2.84Å; L506-I509 VanDerWaalsContact O-N 3.14Å; I507-I509 VanDerWaalsContact C-N 3.3Å; I507-I509 PolarHBondContact O-N 3.5Å; I509-T511 VanDerWaalsContact C-N 3.34Å; I509-T511 PolarHBondContact O-N 3.41Å; I509-D512 CarbonylContact O-C 3.59Å; I509-P513 WeakPolarHBondContact O-CA 3.31Å; I509-P513 VanDerWaalsContact O-CD 3.31Å; I509-P513 WeakPolarHBondContact O-CD 3.28Å; I509-P513 VanDerWaalsContact O-CG 3.24Å; I509-P513 WeakPolarHBondContact O-CG 3.36Å; I509-P513 VanDerWaalsContact O-N 3.16Å; I509-E516 HydrophobicContact CG1-CG 4.38Å; I509-L518 HydrophobicContact CG2-CD1 3.18Å; I509-L518 HydrophobicContact CG2-CG 4.33Å; I509-P790 HydrophobicContact CD1-CB 3.93Å; I509-R791 HydrophobicContact CD1-CG 3.94Å; I509-A794 HydrophobicContact CB-CB 4.27Å; I509-A794 HydrophobicContact CG2-CB 3.36Å
510	L	98.4	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72	-27.3	-175.1	-67.3	-178.8	0	0	0	113.4	L492 L506 I507 F528 V530 A794 L797	L492-L510 HydrophobicContact CD1-CD1 4.24Å; L506-L510 HydrophobicContact CD1-CD1 4.12Å; L506-L510 HydrophobicContact CD1-CD2 4.25Å; L506-L510 HydrophobicContact CD1-CG 3.91Å; L506-L510 HydrophobicContact CD2-CD1 3.87Å; L506-L510 HydrophobicContact CG-CD1 3.65Å; L506-L510 HydrophobicContact CG-CG 3.86Å; L506-L510 WeakPolarHBondContact O-CG 3.36Å; L506-L510 PolarHBondContact O-N 2.84Å; I507-L510 PolarHBondContact O-N 3.47Å; L510-F528 HydrophobicContact CB-CB 4.11Å; L510-F528 HydrophobicContact CB-CD2 3.87Å; L510-F528 HydrophobicContact CB-CG 4.29Å; L510-F528 HydrophobicContact CD2-CD2 3.76Å; L510-F528 HydrophobicContact CD2-CE2 3.82Å; L510-F528 HydrophobicContact CG-CD2 4.3Å; L510-F528 PolarHBondContact O-N 2.83Å; L510-V530 HydrophobicContact CB-CG2 4.01Å; L510-V530 HydrophobicContact CD1-CG2 4.46Å; L510-A794 HydrophobicContact CD2-CB 4.01Å; L510-L797 HydrophobicContact CD1-CD1 3.76Å; L510-L797 HydrophobicContact CD2-CB 4.26Å; L510-L797 HydrophobicContact CD2-CD1 4.08Å
511	T	98	Very high	96	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-82.7	-25.3	-179.9	54.4	0	0	0	0	112.7	Q477 P479 P480 I507 K508 I509 V530	Q477-T511 HydrophobicContact CB-CG2 3.92Å; Q477-T511 HydrophobicContact CG-CG2 3.7Å; P479-T511 VanDerWaalsContact CA-O 3.28Å; P479-T511 WeakPolarHBondContact CA-O 3.45Å; P479-T511 WeakPolarHBondContact CB-O 3.3Å; P480-T511 WeakPolarHBondContact CD-O 3.41Å; I507-T511 HydrophobicContact CG2-CG2 4.35Å; I507-T511 WeakPolarHBondContact O-CB 3.4Å; I507-T511 VanDerWaalsContact O-CG2 3.26Å; I507-T511 WeakPolarHBondContact O-CG2 3.31Å; I507-T511 PolarHBondContact O-N 3.41Å; I507-T511 VanDerWaalsContact O-N 3.09Å; I507-T511 PolarHBondContact O-OG1 3.1Å; K508-T511 PolarHBondContact O-OG1 2.88Å; I509-T511 VanDerWaalsContact C-N 3.34Å; I509-T511 PolarHBondContact O-N 3.41Å; T511-V530 HydrophobicContact CG2-CB 4.21Å; T511-V530 HydrophobicContact CG2-CG2 3.71Å
512	D	97.1	Very high	95.3	Very high	29 Å²	29	38.5 Å²	38.5	16%	0.155	23%	0.23	C	C	.	.			trans	-139.7	62.8	174.1	-161.2	7.8	0	0	0	115.1	P480 K483 Y484 K508 I509 L514 S515 E516	P480-D512 HydrophobicContact CG-CB 4.19Å; K483-D512 VanDerWaalsContact CE-OD1 3.31Å; K483-D512 WeakPolarHBondContact CE-OD1 3.41Å; K483-D512 VanDerWaalsContact NZ-CG 3.3Å; K483-D512 IonicContact NZ-OD1 3.8Å; K483-D512 PolarHBondContact NZ-OD1 2.8Å; K483-D512 IonicContact NZ-OD2 3.52Å; K483-D512 PolarHBondContact NZ-OD2 3.09Å; Y484-D512 WeakPolarHBondContact OH-CA 3.3Å; Y484-D512 PolarHBondContact OH-OD1 2.83Å; K508-D512 PolarHBondContact O-N 3.27Å; I509-D512 CarbonylContact O-C 3.59Å; D512-L514 VanDerWaalsContact C-N 3.26Å; D512-L514 PolarHBondContact O-N 3.43Å; D512-L514 VanDerWaalsContact O-N 3.14Å; D512-S515 PolarHBondContact O-N 3.35Å; D512-S515 VanDerWaalsContact O-N 3.13Å; D512-S515 PolarHBondContact OD1-OG 3.42Å; D512-S515 VanDerWaalsContact OD2-CB 3.24Å; D512-S515 WeakPolarHBondContact OD2-CB 3.21Å; D512-S515 PolarHBondContact OD2-OG 3.36Å; D512-E516 PolarHBondContact O-N 3.33Å
513	P	96.9	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.6	-176.4	-27.5	37.6	0	0	0	115.9	Y484 I509 E516 G517 L518 E519 I526 I798	Y484-P513 WeakPolarHBondContact OH-CD 3.23Å; Y484-P513 VanDerWaalsContact OH-N 3.12Å; I509-P513 WeakPolarHBondContact O-CA 3.31Å; I509-P513 VanDerWaalsContact O-CD 3.31Å; I509-P513 WeakPolarHBondContact O-CD 3.28Å; I509-P513 VanDerWaalsContact O-CG 3.24Å; I509-P513 WeakPolarHBondContact O-CG 3.36Å; I509-P513 VanDerWaalsContact O-N 3.16Å; P513-E516 CarbonylContact O-C 3.57Å; P513-E516 PolarHBondContact O-N 3.05Å; P513-G517 PolarHBondContact O-N 3.03Å; P513-G517 VanDerWaalsContact O-N 3.15Å; P513-L518 HydrophobicContact CB-CB 4.34Å; P513-L518 PolarHBondContact O-N 3.38Å; P513-E519 HydrophobicContact CB-CB 4.22Å; P513-E519 HydrophobicContact CB-CG 3.84Å; P513-E519 PolarHBondContact O-N 3.05Å; P513-I526 WeakPolarHBondContact CG-O 3.18Å; P513-I798 HydrophobicContact CB-CD1 4.14Å; P513-I798 HydrophobicContact CG-CD1 4.33Å
514	L	96.1	Very high	94.3	Very high	35 Å²	35	47.8 Å²	47.8	18%	0.183	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-47.4	175.4	-73	165.9	0	0	0	111.5	K483 Y484 D512 E516 G517 E519 A525	K483-L514 HydrophobicContact CG-CD1 4.04Å; Y484-L514 HydrophobicContact CD1-CD1 4.15Å; Y484-L514 HydrophobicContact CE1-CB 4.34Å; Y484-L514 HydrophobicContact CE1-CD1 3.51Å; Y484-L514 HydrophobicContact CE1-CG 3.66Å; Y484-L514 VanDerWaalsContact OH-CB 3.28Å; Y484-L514 WeakPolarHBondContact OH-CB 3.47Å; Y484-L514 PolarHBondContact OH-N 3.21Å; D512-L514 VanDerWaalsContact C-N 3.26Å; D512-L514 PolarHBondContact O-N 3.43Å; D512-L514 VanDerWaalsContact O-N 3.14Å; L514-E516 PolarHBondContact O-N 3.13Å; L514-G517 PolarHBondContact O-N 3.27Å; L514-G517 VanDerWaalsContact O-N 3.13Å; L514-E519 HydrophobicContact CD2-CB 3.89Å; L514-E519 HydrophobicContact CG-CB 4.23Å; L514-A525 HydrophobicContact CD1-CB 4.06Å; L514-A525 HydrophobicContact CD2-CB 3.88Å; L514-A525 HydrophobicContact CG-CB 3.9Å
515	S	95	Very high	94.1	Very high	78 Å²	78	47.1 Å²	47.1	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.9	177.4	-66.3	0	0	0	0	111.8	K483 D512 G517	K483-S515 PolarHBondContact NZ-OG 3.16Å; D512-S515 PolarHBondContact O-N 3.35Å; D512-S515 VanDerWaalsContact O-N 3.13Å; D512-S515 PolarHBondContact OD1-OG 3.42Å; D512-S515 VanDerWaalsContact OD2-CB 3.24Å; D512-S515 WeakPolarHBondContact OD2-CB 3.21Å; D512-S515 PolarHBondContact OD2-OG 3.36Å; S515-G517 VanDerWaalsContact C-N 3.29Å
516	E	94.9	Very high	94.1	Very high	72 Å²	72	43.5 Å²	43.5	34%	0.336	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.4	179.2	-69	-75.7	159.1	0	0	112.6	I509 D512 P513 L514 L518 R791	I509-E516 HydrophobicContact CG1-CG 4.38Å; D512-E516 PolarHBondContact O-N 3.33Å; P513-E516 CarbonylContact O-C 3.57Å; P513-E516 PolarHBondContact O-N 3.05Å; L514-E516 PolarHBondContact O-N 3.13Å; E516-L518 VanDerWaalsContact C-N 3.26Å; E516-L518 PolarHBondContact O-N 3.25Å; E516-R791 VanDerWaalsContact O-CZ 3.23Å; E516-R791 PolarHBondContact O-NH1 3.23Å; E516-R791 PolarHBondContact O-NH2 3.1Å; E516-R791 IonicContact OE2-NH1 3.99Å; E516-R791 PolarHBondContact OE2-NH1 2.85Å
517	G	94.4	Very high	94	Very high	57 Å²	57	43.5 Å²	43.5	59%	0.588	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	23.6	177.4	0	0	0	0	0	114.7	P513 L514 S515	P513-G517 PolarHBondContact O-N 3.03Å; P513-G517 VanDerWaalsContact O-N 3.15Å; L514-G517 PolarHBondContact O-N 3.27Å; L514-G517 VanDerWaalsContact O-N 3.13Å; S515-G517 VanDerWaalsContact C-N 3.29Å
518	L	93.8	Very high	94	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.209	26%	0.257	C	S	.	.	S	Bend	trans	-92.6	-20.5	172.4	-73.7	-176.2	0	0	0	112.9	I509 P513 E516 A794 I798	I509-L518 HydrophobicContact CG2-CD1 3.18Å; I509-L518 HydrophobicContact CG2-CG 4.33Å; P513-L518 HydrophobicContact CB-CB 4.34Å; P513-L518 PolarHBondContact O-N 3.38Å; E516-L518 VanDerWaalsContact C-N 3.26Å; E516-L518 PolarHBondContact O-N 3.25Å; L518-A794 HydrophobicContact CD1-CB 3.57Å; L518-I798 HydrophobicContact CB-CD1 4.27Å; L518-I798 HydrophobicContact CD1-CD1 4.45Å
519	E	92.1	Very high	94.1	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.079	24%	0.241	C	C	.	.			trans	-121.4	151.8	169.8	-73	-76.3	-163.4	0	0	108.7	P513 L514 A525 I526 I798 R802	P513-E519 HydrophobicContact CB-CB 4.22Å; P513-E519 HydrophobicContact CB-CG 3.84Å; P513-E519 PolarHBondContact O-N 3.05Å; L514-E519 HydrophobicContact CD2-CB 3.89Å; L514-E519 HydrophobicContact CG-CB 4.23Å; E519-A525 HydrophobicContact CB-CB 3.78Å; E519-A525 HydrophobicContact CG-CB 4.01Å; E519-I526 PolarHBondContact OE1-N 3.34Å; E519-I798 HydrophobicContact CG-CD1 4.46Å; E519-I798 VanDerWaalsContact OE1-CG2 3.3Å; E519-I798 WeakPolarHBondContact OE1-CG2 3.43Å; E519-R802 IonicContact OE1-CZ 2.88Å; E519-R802 IonicContact OE1-NE 3.85Å; E519-R802 IonicContact OE1-NH2 3.64Å; E519-R802 PolarHBondContact OE1-NH2 3.47Å; E519-R802 IonicContact OE2-NH2 3Å; E519-R802 PolarHBondContact OE2-NH2 3.42Å
520	S	89.2	Confident	94.1	Very high	114 Å²	114	39.5 Å²	39.5	80%	0.797	24%	0.239	S	C	*	.			trans	-126.8	-40.1	-179.3	56.6	0	0	0	0	112.9	S522	S520-S522 PolarHBondContact O-N 2.91Å
521	D	88	Confident	94.2	Very high	60 Å²	60	39.5 Å²	39.5	32%	0.321	24%	0.239	S	C	.	.			trans	-86.5	99.6	177.5	-177.7	-6.3	0	0	0	110.6	S523 K524 A525	D521-S523 VanDerWaalsContact CG-OG 3.27Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 WeakPolarHBondContact OD1-CB 3.43Å; D521-S523 PolarHBondContact OD1-N 3.29Å; D521-S523 PolarHBondContact OD1-OG 2.99Å; D521-S523 PolarHBondContact OD2-OG 2.86Å; D521-K524 HydrophobicContact CB-CB 4.44Å; D521-K524 CarbonylContact O-C 3.57Å; D521-K524 PolarHBondContact O-N 2.95Å; D521-K524 WeakPolarHBondContact OD2-CD 3.47Å; D521-K524 WeakPolarHBondContact OD2-CE 3.33Å; D521-K524 IonicContact OD2-NZ 3.56Å; D521-A525 WeakPolarHBondContact O-CB 3.35Å; D521-A525 PolarHBondContact O-N 2.97Å
522	S	84.3	Confident	94.2	Very high	73 Å²	73	38.9 Å²	38.9	51%	0.51	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.1	178.1	63.4	0	0	0	0	114.4	S520 K524	S520-S522 PolarHBondContact O-N 2.91Å; S522-K524 VanDerWaalsContact C-N 3.33Å
523	S	85.8	Confident	94.3	Very high	58 Å²	58	37.5 Å²	37.5	41%	0.406	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.4	179.8	74.2	0	0	0	0	113	D521	D521-S523 VanDerWaalsContact CG-OG 3.27Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 WeakPolarHBondContact OD1-CB 3.43Å; D521-S523 PolarHBondContact OD1-N 3.29Å; D521-S523 PolarHBondContact OD1-OG 2.99Å; D521-S523 PolarHBondContact OD2-OG 2.86Å
524	K	90.1	Very high	94.4	Very high	141 Å²	141	37.5 Å²	37.5	61%	0.613	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-9.1	-177.8	-64.5	177	-168.7	155.9	0	113.6	D521 S522 I526	D521-K524 HydrophobicContact CB-CB 4.44Å; D521-K524 CarbonylContact O-C 3.57Å; D521-K524 PolarHBondContact O-N 2.95Å; D521-K524 WeakPolarHBondContact OD2-CD 3.47Å; D521-K524 WeakPolarHBondContact OD2-CE 3.33Å; D521-K524 IonicContact OD2-NZ 3.56Å; S522-K524 VanDerWaalsContact C-N 3.33Å; K524-I526 PolarHBondContact O-N 2.76Å
525	A	94.4	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.22	C	C	.	.			trans	-58.6	130.2	-178.1	0	0	0	0	0	110.9	Y484 L514 E519 D521	Y484-A525 HydrophobicContact CD1-CB 3.92Å; Y484-A525 HydrophobicContact CE1-CB 3.91Å; L514-A525 HydrophobicContact CD1-CB 4.06Å; L514-A525 HydrophobicContact CD2-CB 3.88Å; L514-A525 HydrophobicContact CG-CB 3.9Å; E519-A525 HydrophobicContact CB-CB 3.78Å; E519-A525 HydrophobicContact CG-CB 4.01Å; D521-A525 WeakPolarHBondContact O-CB 3.35Å; D521-A525 PolarHBondContact O-N 2.97Å
526	I	95.6	Very high	94.7	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	175.6	-64.2	172.3	0	0	0	108.3	H486 Y488 P513 E519 K524 F528 A801 R802	H486-I526 HydrophobicContact CB-CG1 4.15Å; H486-I526 WeakPolarHBondContact O-CA 3.37Å; Y488-I526 HydrophobicContact CD2-CG2 3.59Å; Y488-I526 HydrophobicContact CE2-CD1 4.26Å; Y488-I526 HydrophobicContact CE2-CG1 4.48Å; Y488-I526 HydrophobicContact CE2-CG2 3.86Å; P513-I526 WeakPolarHBondContact CG-O 3.18Å; E519-I526 PolarHBondContact OE1-N 3.34Å; K524-I526 PolarHBondContact O-N 2.76Å; I526-F528 HydrophobicContact CG2-CE2 4.07Å; I526-F528 HydrophobicContact CG2-CZ 4.03Å; I526-A801 HydrophobicContact CD1-CB 4.18Å; I526-A801 HydrophobicContact CG2-CB 4.23Å; I526-R802 HydrophobicContact CD1-CB 4.45Å; I526-R802 HydrophobicContact CD1-CG 3.5Å
527	A	97.2	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	170.5	166.8	0	0	0	0	0	110.8	P479 Y484 H486 V487 Y488	P479-A527 HydrophobicContact CB-CB 3.93Å; P479-A527 HydrophobicContact CG-CB 4.49Å; Y484-A527 HydrophobicContact CD1-CB 3.52Å; Y484-A527 HydrophobicContact CD2-CB 3.63Å; Y484-A527 HydrophobicContact CE1-CB 3.77Å; Y484-A527 HydrophobicContact CE2-CB 3.9Å; Y484-A527 HydrophobicContact CG-CB 3.44Å; Y484-A527 VanDerWaalsContact CG-CB 3.44Å; H486-A527 PolarHBondContact O-N 3.41Å; V487-A527 VanDerWaalsContact CA-O 3.3Å; V487-A527 WeakPolarHBondContact CA-O 3.18Å; Y488-A527 PolarHBondContact N-O 3.48Å
528	F	98.2	Very high	95	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.9	-178	-59.6	-95.9	0	0	0	112	Y488 I490 L510 I526 V530 I571 L797 I798 A801	Y488-F528 CarbonylContact O-C 3.59Å; Y488-F528 VanDerWaalsContact O-CA 3.23Å; Y488-F528 WeakPolarHBondContact O-CA 3.19Å; I490-F528 HydrophobicContact CB-CD1 4.02Å; I490-F528 HydrophobicContact CD1-CD1 4.13Å; I490-F528 HydrophobicContact CD1-CE1 4.3Å; I490-F528 HydrophobicContact CG2-CB 3.71Å; I490-F528 HydrophobicContact CG2-CD1 3.96Å; I490-F528 HydrophobicContact CG2-CG 4.17Å; L510-F528 HydrophobicContact CB-CB 4.11Å; L510-F528 HydrophobicContact CB-CD2 3.87Å; L510-F528 HydrophobicContact CB-CG 4.29Å; L510-F528 HydrophobicContact CD2-CD2 3.76Å; L510-F528 HydrophobicContact CD2-CE2 3.82Å; L510-F528 HydrophobicContact CG-CD2 4.3Å; L510-F528 PolarHBondContact O-N 2.83Å; I526-F528 HydrophobicContact CG2-CE2 4.07Å; I526-F528 HydrophobicContact CG2-CZ 4.03Å; F528-V530 HydrophobicContact CB-CG2 3.93Å; F528-I571 HydrophobicContact CE1-CD1 3.95Å; F528-L797 HydrophobicContact CZ-CB 4.49Å; F528-I798 HydrophobicContact CE2-CG1 3.9Å; F528-I798 HydrophobicContact CZ-CG1 4.48Å; F528-A801 HydrophobicContact CE1-CB 4.1Å; F528-A801 HydrophobicContact CZ-CB 3.84Å
529	Q	98.4	Very high	95.2	Very high	33 Å²	33	24.5 Å²	24.5	15%	0.154	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104.6	162.3	174.7	176.7	6.9	0	0	107.6	H476 Q477 K478 V487 Y488 P489 I490	H476-Q529 PolarHBondContact CE1-NE2 2.98Å; H476-Q529 VanDerWaalsContact CE1-NE2 3.33Å; H476-Q529 PolarHBondContact NE2-NE2 3.08Å; Q477-Q529 CarbonylContact O-C 3.57Å; K478-Q529 HydrophobicContact CG-CG 4.03Å; V487-Q529 HydrophobicContact CG1-CB 4.1Å; Y488-Q529 PolarHBondContact O-N 3.46Å; P489-Q529 CarbonylContact C-O 3.59Å; P489-Q529 WeakPolarHBondContact CA-O 3.37Å; I490-Q529 PolarHBondContact N-O 3.24Å
530	V	98.9	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.1	-167.1	-178.5	0	0	0	0	111	H476 Q477 I490 L492 I507 L510 T511 F528 V532	H476-V530 CarbonylContact C-O 3.47Å; H476-V530 WeakPolarHBondContact CA-O 3.01Å; Q477-V530 PolarHBondContact N-O 3.15Å; Q477-V530 PolarHBondContact O-N 3.42Å; I490-V530 HydrophobicContact CG2-CB 4.26Å; I490-V530 HydrophobicContact CG2-CG1 4.43Å; I490-V530 HydrophobicContact CG2-CG2 3.81Å; L492-V530 HydrophobicContact CD1-CG1 3.53Å; L492-V530 HydrophobicContact CG-CG1 4.06Å; I507-V530 HydrophobicContact CG1-CG1 3.96Å; L510-V530 HydrophobicContact CB-CG2 4.01Å; L510-V530 HydrophobicContact CD1-CG2 4.46Å; T511-V530 HydrophobicContact CG2-CB 4.21Å; T511-V530 HydrophobicContact CG2-CG2 3.71Å; F528-V530 HydrophobicContact CB-CG2 3.93Å; V530-V532 HydrophobicContact CG1-CG2 3.61Å
531	V	98.9	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125	168.9	-176.3	0	0	0	0	108.3	F474 I475 I490 L491 L492 L561 M562 L565 L567	F474-V531 HydrophobicContact CD2-CG1 4.17Å; I475-V531 CarbonylContact O-C 3.52Å; I475-V531 VanDerWaalsContact O-CA 3.3Å; I475-V531 WeakPolarHBondContact O-CA 3.42Å; I490-V531 PolarHBondContact O-N 3.48Å; L491-V531 WeakPolarHBondContact CA-O 3.48Å; L491-V531 HydrophobicContact CD1-CB 3.92Å; L491-V531 HydrophobicContact CD1-CG1 3.7Å; L492-V531 PolarHBondContact N-O 2.95Å; V531-L561 HydrophobicContact CG1-CD2 4.45Å; V531-M562 HydrophobicContact CB-SD 4.25Å; V531-M562 HydrophobicContact CG1-SD 4.2Å; V531-M562 HydrophobicContact CG2-CE 4.38Å; V531-M562 HydrophobicContact CG2-SD 4.16Å; V531-L565 HydrophobicContact CG1-CD1 4Å; V531-L565 HydrophobicContact CG2-CD1 3.89Å; V531-L567 HydrophobicContact CG2-CD1 3.86Å
532	V	98.9	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	92.2	177.9	-167.5	0	0	0	0	109.4	F474 I475 L492 F500 Y503 I507 V530	F474-V532 CarbonylContact C-O 3.56Å; F474-V532 VanDerWaalsContact CA-O 3.31Å; F474-V532 WeakPolarHBondContact CA-O 3.36Å; I475-V532 HydrophobicContact CB-CB 4.3Å; I475-V532 PolarHBondContact N-O 2.81Å; I475-V532 PolarHBondContact O-N 3.41Å; L492-V532 HydrophobicContact CB-CG1 4.49Å; L492-V532 HydrophobicContact CB-CG2 4.04Å; L492-V532 HydrophobicContact CD1-CG2 4Å; L492-V532 HydrophobicContact CG-CG2 4.34Å; F500-V532 HydrophobicContact CB-CG1 3.82Å; Y503-V532 HydrophobicContact CD2-CG1 3.55Å; Y503-V532 HydrophobicContact CE2-CG1 4.21Å; Y503-V532 HydrophobicContact CG-CG1 4.21Å; I507-V532 HydrophobicContact CD1-CG2 3.82Å; I507-V532 HydrophobicContact CG1-CG2 3.98Å; V530-V532 HydrophobicContact CG1-CG2 3.61Å
533	P	98.9	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.3	175.7	33.4	-37.4	0	0	0	111.4	H473 F474 L491 L492 H494 F558 L561	H473-P533 WeakPolarHBondContact O-CA 3.34Å; F474-P533 HydrophobicContact CB-CB 4.03Å; L491-P533 VanDerWaalsContact CD1-CD 3.43Å; L491-P533 HydrophobicContact CD1-CG 3.8Å; L492-P533 WeakPolarHBondContact O-CD 3.37Å; H494-P533 PolarHBondContact CD2-O 3.1Å; P533-F558 HydrophobicContact CB-CD1 4.15Å; P533-F558 HydrophobicContact CB-CE1 3.56Å; P533-F558 HydrophobicContact CB-CE2 4.16Å; P533-F558 HydrophobicContact CB-CZ 3.55Å; P533-F558 HydrophobicContact CG-CD1 4.17Å; P533-F558 HydrophobicContact CG-CD2 3.9Å; P533-F558 HydrophobicContact CG-CE1 3.81Å; P533-F558 HydrophobicContact CG-CE2 3.5Å; P533-F558 HydrophobicContact CG-CG 4.22Å; P533-F558 HydrophobicContact CG-CZ 3.44Å; P533-F558 VanDerWaalsContact CG-CZ 3.44Å; P533-L561 HydrophobicContact CB-CD2 3.91Å
534	S	98.8	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-80.9	131.8	159.9	-59.3	0	0	0	0	109.4	H473 H494 F500 Y538 S541	H473-S534 PolarHBondContact ND1-OG 3.13Å; H473-S534 PolarHBondContact O-N 3.39Å; H494-S534 WeakPolarHBondContact NE2-CA 3.48Å; F500-S534 WeakPolarHBondContact CD1-OG 3.41Å; S534-Y538 WeakPolarHBondContact CB-O 3.14Å; S534-S541 WeakPolarHBondContact CB-OG 3.41Å; S534-S541 WeakPolarHBondContact O-CB 3.45Å; S534-S541 PolarHBondContact O-OG 3.15Å
535	L	98.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-53	145.3	173.6	-65.9	174.8	0	0	0	110.8	V493 H494 G537 Y538 S541 T554 F558 W577 V581 Y726	V493-L535 HydrophobicContact CG1-CD2 3.66Å; H494-L535 PolarHBondContact NE2-N 2.98Å; H494-L535 WeakPolarHBondContact O-CD1 3.35Å; L535-G537 PolarHBondContact O-N 3.15Å; L535-G537 VanDerWaalsContact O-N 3.14Å; L535-Y538 HydrophobicContact CB-CD2 3.4Å; L535-Y538 VanDerWaalsContact CB-CD2 3.4Å; L535-Y538 HydrophobicContact CB-CE2 3.88Å; L535-Y538 HydrophobicContact CB-CG 3.82Å; L535-Y538 HydrophobicContact CD1-CD2 4.16Å; L535-Y538 HydrophobicContact CD1-CE1 4.27Å; L535-Y538 HydrophobicContact CD1-CE2 3.89Å; L535-Y538 HydrophobicContact CD1-CG 4.47Å; L535-Y538 HydrophobicContact CG-CD2 4.41Å; L535-Y538 WeakPolarHBondContact O-CB 3.29Å; L535-Y538 PolarHBondContact O-N 2.86Å; L535-S541 VanDerWaalsContact O-CB 3.29Å; L535-S541 WeakPolarHBondContact O-CB 3.41Å; L535-T554 HydrophobicContact CD2-CG2 4Å; L535-F558 HydrophobicContact CD2-CE2 3.88Å; L535-F558 HydrophobicContact CD2-CZ 4.02Å; L535-W577 HydrophobicContact CD1-CB 4.02Å; L535-V581 HydrophobicContact CD2-CG2 4.25Å; L535-Y726 HydrophobicContact CD1-CE1 4.36Å
536	P	98.6	Very high	98.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	121.9	174	-29.6	37	0	0	0	112	L470 I472 P544 T554 I557	L470-P536 HydrophobicContact CD1-CB 4.02Å; I472-P536 HydrophobicContact CD1-CG 4.25Å; P536-P544 HydrophobicContact CB-CG 4.01Å; P536-T554 HydrophobicContact CG-CG2 4.12Å; P536-I557 HydrophobicContact CG-CD1 4.21Å
537	G	98	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	11.4	-174.8	0	0	0	0	0	116.1	L535 S541 Q542 C719 S722 S723	L535-G537 PolarHBondContact O-N 3.15Å; L535-G537 VanDerWaalsContact O-N 3.14Å; G537-S541 PolarHBondContact N-O 3.02Å; G537-Q542 PolarHBondContact N-O 3.11Å; G537-C719 WeakPolarHBondContact O-CB 3.32Å; G537-S722 CarbonylContact O-C 3.31Å; G537-S722 WeakPolarHBondContact O-CB 3.42Å; G537-S722 PolarHBondContact O-OG 3.18Å; G537-S723 PolarHBondContact O-N 2.9Å
538	Y	98.5	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-113.5	144	170.6	-72.1	-115.6	0	0	0	110.4	H494 W496 S534 L535 F540 S541 Y714 S723 Y726	H494-Y538 AromaticContact CE1-CD1 3.61Å; H494-Y538 AromaticContact CE1-CG 3.89Å; W496-Y538 HydrophobicContact CB-CE1 4.18Å; S534-Y538 WeakPolarHBondContact CB-O 3.14Å; L535-Y538 HydrophobicContact CB-CD2 3.4Å; L535-Y538 VanDerWaalsContact CB-CD2 3.4Å; L535-Y538 HydrophobicContact CB-CE2 3.88Å; L535-Y538 HydrophobicContact CB-CG 3.82Å; L535-Y538 HydrophobicContact CD1-CD2 4.16Å; L535-Y538 HydrophobicContact CD1-CE1 4.27Å; L535-Y538 HydrophobicContact CD1-CE2 3.89Å; L535-Y538 HydrophobicContact CD1-CG 4.47Å; L535-Y538 HydrophobicContact CG-CD2 4.41Å; L535-Y538 WeakPolarHBondContact O-CB 3.29Å; L535-Y538 PolarHBondContact O-N 2.86Å; Y538-F540 PolarHBondContact O-N 3.4Å; Y538-F540 VanDerWaalsContact O-N 3.16Å; Y538-S541 PolarHBondContact O-N 3.11Å; Y538-Y714 WeakPolarHBondContact CD1-OH 3.04Å; Y538-Y714 WeakPolarHBondContact CE1-OH 3.18Å; Y538-S723 VanDerWaalsContact CE1-CB 3.48Å; Y538-S723 VanDerWaalsContact CE2-CA 3.45Å; Y538-S723 VanDerWaalsContact CZ-CB 3.47Å; Y538-S723 PolarHBondContact OH-O 3.11Å; Y538-Y726 HydrophobicContact CE2-CD2 4.09Å; Y538-Y726 HydrophobicContact CE2-CE2 4.5Å; Y538-Y726 HydrophobicContact CE2-CG 4.31Å
539	A	97.9	Very high	97.9	Very high	7 Å²	7	31.5 Å²	31.5	6%	0.058	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	-120.5	177.4	0	0	0	0	0	111.2	F500 I713 T717 C719	F500-A539 HydrophobicContact CD1-CB 4.03Å; F500-A539 HydrophobicContact CE1-CB 3.96Å; A539-I713 HydrophobicContact CB-CG2 3.67Å; A539-T717 VanDerWaalsContact O-CB 3.23Å; A539-T717 WeakPolarHBondContact O-CB 3.41Å; A539-T717 WeakPolarHBondContact O-CG2 3.49Å; A539-C719 PolarHBondContact N-SG 3.43Å
540	F	98.4	Very high	97.7	Very high	30 Å²	30	30 Å²	30	13%	0.132	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7	-175.5	-50.2	-77.9	0	0	0	114.3	F398 I400 Q464 H473 F500 Y538 I716 T717	F398-F540 HydrophobicContact CE1-CB 3.91Å; F398-F540 AromaticContact CE1-CD1 3.79Å; F398-F540 HydrophobicContact CE1-CD1 3.79Å; F398-F540 HydrophobicContact CE1-CD2 4.07Å; F398-F540 HydrophobicContact CE1-CE1 4.31Å; F398-F540 AromaticContact CE1-CG 3.65Å; F398-F540 HydrophobicContact CE1-CG 3.65Å; F398-F540 HydrophobicContact CZ-CB 3.98Å; F398-F540 AromaticContact CZ-CD1 3.62Å; F398-F540 HydrophobicContact CZ-CD1 3.62Å; F398-F540 HydrophobicContact CZ-CE1 4.27Å; F398-F540 AromaticContact CZ-CG 3.86Å; F398-F540 HydrophobicContact CZ-CG 3.86Å; I400-F540 HydrophobicContact CB-CZ 4.19Å; I400-F540 HydrophobicContact CD1-CD2 4.38Å; I400-F540 HydrophobicContact CD1-CE2 3.5Å; I400-F540 VanDerWaalsContact CD1-CE2 3.5Å; I400-F540 HydrophobicContact CD1-CZ 3.78Å; I400-F540 HydrophobicContact CG1-CD2 4.32Å; I400-F540 HydrophobicContact CG1-CE1 4.22Å; I400-F540 HydrophobicContact CG1-CE2 3.62Å; I400-F540 HydrophobicContact CG1-CZ 3.57Å; I400-F540 HydrophobicContact CG2-CE1 4.15Å; I400-F540 HydrophobicContact CG2-CE2 4.48Å; I400-F540 HydrophobicContact CG2-CZ 3.64Å; Q464-F540 PolarHBondContact NE2-O 2.79Å; Q464-F540 VanDerWaalsContact NE2-O 3.08Å; H473-F540 VanDerWaalsContact CB-C 3.42Å; H473-F540 HydrophobicContact CB-CB 3.72Å; H473-F540 WeakPolarHBondContact CB-O 3.46Å; H473-F540 AromaticContact CE1-CD2 3.85Å; F500-F540 AromaticContact CE1-CD2 3.82Å; F500-F540 HydrophobicContact CE1-CD2 3.82Å; F500-F540 AromaticContact CE1-CE2 3.69Å; F500-F540 HydrophobicContact CE1-CE2 3.69Å; F500-F540 HydrophobicContact CZ-CD2 4.35Å; F500-F540 AromaticContact CZ-CE2 3.91Å; F500-F540 HydrophobicContact CZ-CE2 3.91Å; Y538-F540 PolarHBondContact O-N 3.4Å; Y538-F540 VanDerWaalsContact O-N 3.16Å; F540-I716 HydrophobicContact CE1-CD1 3.69Å; F540-I716 HydrophobicContact CZ-CD1 3.65Å; F540-T717 HydrophobicContact CD1-CG2 3.65Å; F540-T717 HydrophobicContact CE1-CG2 3.5Å; F540-T717 HydrophobicContact CG-CG2 4.25Å; F540-T717 HydrophobicContact CZ-CG2 3.97Å
541	S	98.7	Very high	97.6	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	15%	0.147	C	C	.	.	S	Bend	trans	-84.7	131.1	170.2	-81.1	0	0	0	0	110	H473 S534 L535 G537 Y538 A543	H473-S541 PolarHBondContact N-OG 3.33Å; H473-S541 PolarHBondContact O-OG 3.33Å; S534-S541 WeakPolarHBondContact CB-OG 3.41Å; S534-S541 WeakPolarHBondContact O-CB 3.45Å; S534-S541 PolarHBondContact O-OG 3.15Å; L535-S541 VanDerWaalsContact O-CB 3.29Å; L535-S541 WeakPolarHBondContact O-CB 3.41Å; G537-S541 PolarHBondContact N-O 3.02Å; Y538-S541 PolarHBondContact O-N 3.11Å; S541-A543 PolarHBondContact O-N 3.03Å
542	Q	98.3	Very high	97.4	Very high	75 Å²	75	30.9 Å²	30.9	35%	0.35	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-57.5	135.3	-175.1	-171.5	176.5	8	0	0	112.1	L470 S471 G537 P544	L470-Q542 HydrophobicContact CD2-CB 4.45Å; L470-Q542 HydrophobicContact CD2-CG 4.37Å; S471-Q542 WeakPolarHBondContact O-CB 3.27Å; S471-Q542 PolarHBondContact O-N 2.98Å; G537-Q542 PolarHBondContact N-O 3.11Å; Q542-P544 WeakPolarHBondContact O-CD 3.34Å
543	A	98	Very high	97.3	Very high	28 Å²	28	31 Å²	31	23%	0.231	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-68.1	126.9	176.3	0	0	0	0	0	111.7	S541 K545	S541-A543 PolarHBondContact O-N 3.03Å; A543-K545 PolarHBondContact O-N 3.1Å
544	P	98.2	Very high	97.3	Very high	17 Å²	17	31 Å²	31	11%	0.11	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-55.5	136.9	174.5	-26.4	34.9	0	0	0	112.9	F383 L470 P536 Q542 C549 R725	F383-P544 HydrophobicContact CB-CB 4.22Å; L470-P544 HydrophobicContact CD1-CG 4.03Å; P536-P544 HydrophobicContact CB-CG 4.01Å; Q542-P544 WeakPolarHBondContact O-CD 3.34Å; P544-C549 HydrophobicContact CB-CB 3.57Å; P544-C549 HydrophobicContact CG-CB 3.62Å; P544-C549 WeakPolarHBondContact CG-SG 3.35Å; P544-R725 PolarHBondContact O-NH1 3.14Å
545	K	97.4	Very high	97.3	Very high	124 Å²	124	31 Å²	31	54%	0.539	15%	0.152	S	C	.	.	S	Bend	trans	-100.4	-5.2	177.7	-58.9	-65.7	-176.7	170.3	0	113.3	F383 E385 A543	F383-K545 PolarHBondContact O-N 3.26Å; E385-K545 HydrophobicContact CB-CG 4.17Å; A543-K545 PolarHBondContact O-N 3.1Å
546	K	96.4	Very high	97.2	Very high	84 Å²	84	31.9 Å²	31.9	37%	0.365	16%	0.155	S	C	.	.	S	Bend	trans	-128.7	149	178.7	-51.7	-165.2	-165.2	-179.9	0	110.9	Y382 F383 G384 G386	Y382-K546 VanDerWaalsContact O-CD 3.32Å; Y382-K546 WeakPolarHBondContact O-CD 3.44Å; F383-K546 HydrophobicContact CD1-CB 4.37Å; G384-K546 WeakPolarHBondContact O-CE 3.17Å; G386-K546 WeakPolarHBondContact O-CE 3.46Å; G386-K546 PolarHBondContact O-NZ 2.88Å
547	R	95.4	Very high	97.2	Very high	216 Å²	216	31.8 Å²	31.8	82%	0.815	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	159.2	174	-67.3	-176.5	178.1	173.4	0.7	111.3
548	G	93.7	Very high	97.3	Very high	35 Å²	35	31.8 Å²	31.8	36%	0.361	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-4.6	179.1	0	0	0	0	0	114.3	G550 E729	G548-G550 VanDerWaalsContact C-N 3.26Å; G548-G550 PolarHBondContact O-N 2.99Å; G548-E729 VanDerWaalsContact CA-OE2 3.25Å; G548-E729 WeakPolarHBondContact CA-OE2 3.09Å; G548-E729 PolarHBondContact N-OE2 3.25Å
549	C	96.5	Very high	97.3	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.034	16%	0.156	C	C	.	.			trans	-81.7	68.8	176.5	-163.2	0	0	0	0	111.5	F383 P544	F383-C549 HydrophobicContact CB-CB 4.48Å; F383-C549 HydrophobicContact CD1-CB 3.51Å; F383-C549 HydrophobicContact CD2-CB 4.27Å; F383-C549 HydrophobicContact CE1-CB 3.65Å; F383-C549 HydrophobicContact CE2-CB 4.39Å; F383-C549 HydrophobicContact CG-CB 3.83Å; F383-C549 HydrophobicContact CZ-CB 4.09Å; P544-C549 HydrophobicContact CB-CB 3.57Å; P544-C549 HydrophobicContact CG-CB 3.62Å; P544-C549 WeakPolarHBondContact CG-SG 3.35Å
550	G	95.5	Very high	97.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-106.9	-161.7	173.6	0	0	0	0	0	113.1	G548 L552 A553 T554	G548-G550 VanDerWaalsContact C-N 3.26Å; G548-G550 PolarHBondContact O-N 2.99Å; G550-L552 VanDerWaalsContact C-N 3.28Å; G550-L552 PolarHBondContact O-N 3.31Å; G550-A553 PolarHBondContact O-N 3.3Å; G550-A553 VanDerWaalsContact O-N 3.07Å; G550-T554 PolarHBondContact O-N 3.41Å; G550-T554 PolarHBondContact O-OG1 2.88Å
551	T	95.9	Very high	97.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-54.4	-38	-177.4	53.9	0	0	0	0	114.2	T554 A555 W577 V580 V581 Y726 F730	T551-T554 PolarHBondContact O-N 2.91Å; T551-A555 WeakPolarHBondContact O-CB 3.38Å; T551-A555 PolarHBondContact O-N 3.08Å; T551-W577 HydrophobicContact CG2-CE3 3.67Å; T551-W577 HydrophobicContact CG2-CZ3 4.03Å; T551-V580 HydrophobicContact CG2-CB 4.11Å; T551-V580 HydrophobicContact CG2-CG1 3.78Å; T551-V581 HydrophobicContact CG2-CG2 4.12Å; T551-Y726 HydrophobicContact CG2-CD1 3.96Å; T551-Y726 HydrophobicContact CG2-CE1 3.59Å; T551-F730 HydrophobicContact CG2-CD2 4.29Å
552	L	95.6	Very high	97.3	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.4	175.6	58.4	0	0	0	112.4	P376 G550 T554 A555 R556 T584 L588 N735 L739	P376-L552 HydrophobicContact CG-CD2 4.4Å; G550-L552 VanDerWaalsContact C-N 3.28Å; G550-L552 PolarHBondContact O-N 3.31Å; L552-T554 VanDerWaalsContact C-N 3.32Å; L552-A555 PolarHBondContact O-N 3.2Å; L552-R556 PolarHBondContact O-N 2.98Å; L552-T584 HydrophobicContact CD1-CG2 3.97Å; L552-L588 HydrophobicContact CD1-CD1 3.46Å; L552-L588 VanDerWaalsContact CD1-CD1 3.46Å; L552-N735 HydrophobicContact CD2-CB 4.22Å; L552-L739 HydrophobicContact CB-CD1 4.24Å; L552-L739 HydrophobicContact CD1-CD1 4.05Å; L552-L739 HydrophobicContact CD2-CD1 4.35Å; L552-L739 HydrophobicContact CG-CD1 4.44Å
553	A	96.7	Very high	97.3	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-41.9	177.1	0	0	0	0	0	110.5	F383 G550 A555 R556 I557	F383-A553 HydrophobicContact CE2-CB 3.8Å; F383-A553 HydrophobicContact CZ-CB 3.65Å; G550-A553 PolarHBondContact O-N 3.3Å; G550-A553 VanDerWaalsContact O-N 3.07Å; A553-A555 PolarHBondContact O-N 3.42Å; A553-R556 WeakPolarHBondContact O-CB 3.49Å; A553-R556 PolarHBondContact O-N 3.31Å; A553-I557 WeakPolarHBondContact O-CG1 3.1Å; A553-I557 PolarHBondContact O-N 3.21Å
554	T	98.4	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-37.9	179.1	-57.1	0	0	0	0	113.2	L535 P536 G550 T551 L552 R556 I557 F558 V581 Y726	L535-T554 HydrophobicContact CD2-CG2 4Å; P536-T554 HydrophobicContact CG-CG2 4.12Å; G550-T554 PolarHBondContact O-N 3.41Å; G550-T554 PolarHBondContact O-OG1 2.88Å; T551-T554 PolarHBondContact O-N 2.91Å; L552-T554 VanDerWaalsContact C-N 3.32Å; T554-R556 VanDerWaalsContact C-N 3.26Å; T554-R556 PolarHBondContact O-N 3.01Å; T554-I557 PolarHBondContact O-N 2.81Å; T554-F558 HydrophobicContact CG2-CD1 4.16Å; T554-F558 HydrophobicContact CG2-CD2 3.83Å; T554-F558 HydrophobicContact CG2-CE1 3.89Å; T554-F558 HydrophobicContact CG2-CE2 3.52Å; T554-F558 HydrophobicContact CG2-CG 4.14Å; T554-F558 HydrophobicContact CG2-CZ 3.57Å; T554-F558 WeakPolarHBondContact O-CB 3.42Å; T554-F558 WeakPolarHBondContact O-CG 3.34Å; T554-F558 PolarHBondContact O-N 3.24Å; T554-V581 HydrophobicContact CG2-CG1 4.03Å; T554-V581 HydrophobicContact CG2-CG2 4.13Å; T554-Y726 WeakPolarHBondContact CB-OH 3.44Å; T554-Y726 WeakPolarHBondContact CG2-OH 3.49Å; T554-Y726 PolarHBondContact OG1-OH 3Å
555	A	98.2	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-42.1	173.6	0	0	0	0	0	111.7	T551 L552 A553 A559 V581 T584 M585	T551-A555 WeakPolarHBondContact O-CB 3.38Å; T551-A555 PolarHBondContact O-N 3.08Å; L552-A555 PolarHBondContact O-N 3.2Å; A553-A555 PolarHBondContact O-N 3.42Å; A555-A559 WeakPolarHBondContact O-CB 3.22Å; A555-A559 PolarHBondContact O-N 3.23Å; A555-V581 HydrophobicContact CB-CG1 4.4Å; A555-T584 HydrophobicContact CB-CG2 3.69Å; A555-M585 HydrophobicContact CB-CG 3.59Å; A555-M585 WeakPolarHBondContact O-CG 3.4Å
556	R	97.7	Very high	97.4	Very high	17 Å²	17	33.1 Å²	33.1	6%	0.064	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-46.5	173.9	178.2	179.9	63.5	-116.7	-0.1	112.3	I378 S379 E468 L552 A553 T554 F558 A559 K560	I378-R556 HydrophobicContact CG2-CG 4.41Å; S379-R556 PolarHBondContact O-NE 2.71Å; S379-R556 PolarHBondContact O-NH1 3.42Å; E468-R556 VanDerWaalsContact CD-NE 3.34Å; E468-R556 VanDerWaalsContact OE1-CD 3.29Å; E468-R556 WeakPolarHBondContact OE1-CD 3.08Å; E468-R556 IonicContact OE1-CZ 3.03Å; E468-R556 IonicContact OE1-NE 3.22Å; E468-R556 PolarHBondContact OE1-NE 3.07Å; E468-R556 IonicContact OE1-NH2 2.84Å; E468-R556 IonicContact OE2-CZ 2.61Å; E468-R556 IonicContact OE2-NE 3.8Å; E468-R556 PolarHBondContact OE2-NE 3.32Å; E468-R556 IonicContact OE2-NH2 2.99Å; E468-R556 PolarHBondContact OE2-NH2 2.86Å; L552-R556 PolarHBondContact O-N 2.98Å; A553-R556 WeakPolarHBondContact O-CB 3.49Å; A553-R556 PolarHBondContact O-N 3.31Å; T554-R556 VanDerWaalsContact C-N 3.26Å; T554-R556 PolarHBondContact O-N 3.01Å; R556-F558 VanDerWaalsContact C-N 3.29Å; R556-F558 PolarHBondContact O-N 2.85Å; R556-A559 WeakPolarHBondContact O-CB 3.44Å; R556-A559 PolarHBondContact O-N 3.21Å; R556-K560 WeakPolarHBondContact O-CG 3.46Å; R556-K560 PolarHBondContact O-N 2.77Å
557	I	98.6	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-43.8	177.7	-71.3	166.5	0	0	0	110.6	F383 I467 E468 L470 I472 P536 A553 T554 K560 L561	F383-I557 HydrophobicContact CD2-CD1 4.29Å; F383-I557 HydrophobicContact CE2-CD1 4.32Å; I467-I557 HydrophobicContact CB-CG2 4.15Å; I467-I557 HydrophobicContact CD1-CG2 4.47Å; I467-I557 HydrophobicContact CG2-CB 4.24Å; I467-I557 HydrophobicContact CG2-CG1 4.23Å; I467-I557 HydrophobicContact CG2-CG2 3.91Å; E468-I557 HydrophobicContact CB-CG1 4.39Å; E468-I557 HydrophobicContact CG-CG1 4.45Å; L470-I557 HydrophobicContact CD1-CD1 4.41Å; I472-I557 HydrophobicContact CD1-CG2 3.92Å; I472-I557 HydrophobicContact CG1-CG2 3.83Å; P536-I557 HydrophobicContact CG-CD1 4.21Å; A553-I557 WeakPolarHBondContact O-CG1 3.1Å; A553-I557 PolarHBondContact O-N 3.21Å; T554-I557 PolarHBondContact O-N 2.81Å; I557-K560 WeakPolarHBondContact O-CB 3.48Å; I557-K560 PolarHBondContact O-N 2.97Å; I557-L561 PolarHBondContact O-N 3.37Å
558	F	98.8	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.5	-32	178.6	-69.9	-6.2	0	0	0	113	I472 L491 V493 P533 L535 T554 R556 K560 L561 M562 V581 M585	I472-F558 HydrophobicContact CG2-CE1 4.31Å; L491-F558 HydrophobicContact CD2-CB 4.11Å; L491-F558 HydrophobicContact CD2-CD2 4.45Å; V493-F558 HydrophobicContact CG1-CD2 4.42Å; V493-F558 HydrophobicContact CG1-CE2 3.74Å; V493-F558 HydrophobicContact CG2-CD2 4.07Å; V493-F558 HydrophobicContact CG2-CE2 4.08Å; P533-F558 HydrophobicContact CB-CD1 4.15Å; P533-F558 HydrophobicContact CB-CE1 3.56Å; P533-F558 HydrophobicContact CB-CE2 4.16Å; P533-F558 HydrophobicContact CB-CZ 3.55Å; P533-F558 HydrophobicContact CG-CD1 4.17Å; P533-F558 HydrophobicContact CG-CD2 3.9Å; P533-F558 HydrophobicContact CG-CE1 3.81Å; P533-F558 HydrophobicContact CG-CE2 3.5Å; P533-F558 HydrophobicContact CG-CG 4.22Å; P533-F558 HydrophobicContact CG-CZ 3.44Å; P533-F558 VanDerWaalsContact CG-CZ 3.44Å; L535-F558 HydrophobicContact CD2-CE2 3.88Å; L535-F558 HydrophobicContact CD2-CZ 4.02Å; T554-F558 HydrophobicContact CG2-CD1 4.16Å; T554-F558 HydrophobicContact CG2-CD2 3.83Å; T554-F558 HydrophobicContact CG2-CE1 3.89Å; T554-F558 HydrophobicContact CG2-CE2 3.52Å; T554-F558 HydrophobicContact CG2-CG 4.14Å; T554-F558 HydrophobicContact CG2-CZ 3.57Å; T554-F558 WeakPolarHBondContact O-CB 3.42Å; T554-F558 WeakPolarHBondContact O-CG 3.34Å; T554-F558 PolarHBondContact O-N 3.24Å; R556-F558 VanDerWaalsContact C-N 3.29Å; R556-F558 PolarHBondContact O-N 2.85Å; F558-K560 VanDerWaalsContact C-N 3.28Å; F558-K560 PolarHBondContact O-N 2.92Å; F558-L561 HydrophobicContact CD1-CD2 4.5Å; F558-L561 WeakPolarHBondContact O-CB 3.36Å; F558-L561 PolarHBondContact O-N 3.24Å; F558-M562 WeakPolarHBondContact O-CG 3.48Å; F558-M562 PolarHBondContact O-N 3.43Å; F558-V581 HydrophobicContact CD2-CG1 3.84Å; F558-V581 HydrophobicContact CE2-CG1 4.2Å; F558-M585 HydrophobicContact CB-CE 3.95Å; F558-M585 HydrophobicContact CB-SD 3.93Å
559	A	98.5	Very high	97.7	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-39.5	170.1	0	0	0	0	0	111.3	A555 R556 M562 D563 M585 Y589 R592	A555-A559 WeakPolarHBondContact O-CB 3.22Å; A555-A559 PolarHBondContact O-N 3.23Å; R556-A559 WeakPolarHBondContact O-CB 3.44Å; R556-A559 PolarHBondContact O-N 3.21Å; A559-M562 PolarHBondContact O-N 2.99Å; A559-D563 PolarHBondContact O-N 2.82Å; A559-D563 VanDerWaalsContact O-N 3.07Å; A559-M585 HydrophobicContact CB-CE 4.33Å; A559-Y589 HydrophobicContact CB-CD2 3.66Å; A559-Y589 HydrophobicContact CB-CE2 3.53Å; A559-Y589 HydrophobicContact CB-CG 4.3Å; A559-R592 PolarHBondContact O-NH1 3.28Å
560	K	98.4	Very high	97.8	Very high	47 Å²	47	29.2 Å²	29.2	20%	0.204	13%	0.134	C	C	.	.	H	α-helix	trans	-67.9	-37	172.8	-70.6	177.4	173.6	-177.8	0	112.8	D380 I467 E468 R556 I557 F558 M562 D563 R564	D380-K560 WeakPolarHBondContact OD1-CE 3.46Å; D380-K560 IonicContact OD1-NZ 3.34Å; D380-K560 PolarHBondContact OD1-NZ 3.28Å; D380-K560 IonicContact OD2-NZ 3.98Å; D380-K560 PolarHBondContact OD2-NZ 3Å; I467-K560 HydrophobicContact CD1-CB 4.3Å; I467-K560 HydrophobicContact CG2-CB 3.81Å; I467-K560 HydrophobicContact CG2-CD 3.75Å; I467-K560 HydrophobicContact CG2-CG 4.44Å; E468-K560 HydrophobicContact CG-CD 4.5Å; E468-K560 WeakPolarHBondContact OE1-CE 3.2Å; E468-K560 IonicContact OE1-NZ 2.67Å; E468-K560 PolarHBondContact OE1-NZ 2.85Å; R556-K560 WeakPolarHBondContact O-CG 3.46Å; R556-K560 PolarHBondContact O-N 2.77Å; I557-K560 WeakPolarHBondContact O-CB 3.48Å; I557-K560 PolarHBondContact O-N 2.97Å; F558-K560 VanDerWaalsContact C-N 3.28Å; F558-K560 PolarHBondContact O-N 2.92Å; K560-M562 VanDerWaalsContact C-N 3.34Å; K560-D563 WeakPolarHBondContact O-CB 3.37Å; K560-D563 PolarHBondContact O-N 2.97Å; K560-R564 WeakPolarHBondContact O-CB 3.46Å; K560-R564 PolarHBondContact O-N 3.35Å
561	L	98.8	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-46.3	174.2	175.9	60.7	0	0	0	110.7	T465 I467 I472 F474 V531 P533 I557 F558 D563 R564 L565	T465-L561 HydrophobicContact CG2-CD1 3.95Å; I467-L561 HydrophobicContact CD1-CB 3.65Å; I467-L561 HydrophobicContact CD1-CD1 4.25Å; I472-L561 HydrophobicContact CG2-CD2 4.41Å; F474-L561 HydrophobicContact CB-CD2 4.21Å; F474-L561 HydrophobicContact CD1-CD1 3.71Å; F474-L561 HydrophobicContact CD1-CD2 4.16Å; F474-L561 HydrophobicContact CE1-CD1 3.52Å; F474-L561 HydrophobicContact CE2-CD1 4.37Å; F474-L561 HydrophobicContact CG-CD1 4.22Å; F474-L561 HydrophobicContact CG-CD2 4.12Å; F474-L561 HydrophobicContact CZ-CD1 3.86Å; V531-L561 HydrophobicContact CG1-CD2 4.45Å; P533-L561 HydrophobicContact CB-CD2 3.91Å; I557-L561 PolarHBondContact O-N 3.37Å; F558-L561 HydrophobicContact CD1-CD2 4.5Å; F558-L561 WeakPolarHBondContact O-CB 3.36Å; F558-L561 PolarHBondContact O-N 3.24Å; L561-D563 VanDerWaalsContact C-N 3.32Å; L561-D563 PolarHBondContact O-N 2.84Å; L561-R564 WeakPolarHBondContact O-CB 3.19Å; L561-R564 PolarHBondContact O-N 3.19Å; L561-L565 HydrophobicContact CD1-CD1 4.34Å; L561-L565 HydrophobicContact CD1-CG 4.4Å; L561-L565 HydrophobicContact CG-CD1 4.4Å; L561-L565 WeakPolarHBondContact O-CG 3.26Å; L561-L565 PolarHBondContact O-N 2.93Å
562	M	98.8	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.6	-63.9	-56.7	-78.6	0	0	111.9	L491 V531 F558 A559 K560 L565 N566 L567 Y570	L491-M562 HydrophobicContact CB-CE 4.29Å; L491-M562 HydrophobicContact CB-SD 4.31Å; L491-M562 HydrophobicContact CD1-SD 3.87Å; L491-M562 HydrophobicContact CD2-CG 4.29Å; L491-M562 HydrophobicContact CG-SD 4.48Å; V531-M562 HydrophobicContact CB-SD 4.25Å; V531-M562 HydrophobicContact CG1-SD 4.2Å; V531-M562 HydrophobicContact CG2-CE 4.38Å; V531-M562 HydrophobicContact CG2-SD 4.16Å; F558-M562 WeakPolarHBondContact O-CG 3.48Å; F558-M562 PolarHBondContact O-N 3.43Å; A559-M562 PolarHBondContact O-N 2.99Å; K560-M562 VanDerWaalsContact C-N 3.34Å; M562-L565 PolarHBondContact O-N 3.26Å; M562-N566 PolarHBondContact O-N 3.17Å; M562-L567 HydrophobicContact CE-CB 3.73Å; M562-L567 HydrophobicContact CE-CD1 3.63Å; M562-L567 HydrophobicContact CE-CG 4.34Å; M562-L567 PolarHBondContact O-N 3.49Å; M562-L567 HydrophobicContact SD-CD1 4.33Å; M562-Y570 HydrophobicContact CB-CD1 4.07Å; M562-Y570 HydrophobicContact CB-CE1 3.48Å; M562-Y570 VanDerWaalsContact CB-CE1 3.48Å; M562-Y570 HydrophobicContact CE-CD1 3.61Å; M562-Y570 HydrophobicContact CE-CD2 3.86Å; M562-Y570 HydrophobicContact CE-CE1 4.17Å; M562-Y570 HydrophobicContact CE-CE2 4.37Å; M562-Y570 HydrophobicContact CE-CG 3.45Å; M562-Y570 VanDerWaalsContact CE-CG 3.45Å; M562-Y570 HydrophobicContact CG-CD1 4.22Å; M562-Y570 HydrophobicContact CG-CD2 4.41Å; M562-Y570 HydrophobicContact CG-CE1 3.79Å; M562-Y570 HydrophobicContact CG-CE2 4Å
563	D	98.2	Very high	98.3	Very high	47 Å²	47	28.3 Å²	28.3	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-61.4	-42.9	171.2	-83.4	-33.5	0	0	0	112.8	A559 K560 L561 L565 N566 K568 R592	A559-D563 PolarHBondContact O-N 2.82Å; A559-D563 VanDerWaalsContact O-N 3.07Å; K560-D563 WeakPolarHBondContact O-CB 3.37Å; K560-D563 PolarHBondContact O-N 2.97Å; L561-D563 VanDerWaalsContact C-N 3.32Å; L561-D563 PolarHBondContact O-N 2.84Å; D563-L565 VanDerWaalsContact C-N 3.27Å; D563-L565 PolarHBondContact O-N 3.07Å; D563-N566 WeakPolarHBondContact O-CA 3.44Å; D563-N566 PolarHBondContact O-N 2.91Å; D563-K568 IonicContact OD1-NZ 2.76Å; D563-K568 PolarHBondContact OD1-NZ 3.22Å; D563-R592 VanDerWaalsContact CG-NH1 3.32Å; D563-R592 IonicContact OD1-CZ 3.76Å; D563-R592 IonicContact OD1-NH1 2.82Å; D563-R592 IonicContact OD2-CZ 2.88Å; D563-R592 IonicContact OD2-NH1 3.72Å; D563-R592 PolarHBondContact OD2-NH1 3.01Å; D563-R592 IonicContact OD2-NH2 2.79Å; D563-R592 PolarHBondContact OD2-NH2 2.92Å
564	R	98.1	Very high	98.4	Very high	63 Å²	63	28.1 Å²	28.1	24%	0.238	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-35.8	177.4	-173.1	69.8	63.3	64.8	-0.2	111.8	E393 V395 T465 E466 K560 L561 N566	E393-R564 WeakPolarHBondContact O-CD 3.33Å; V395-R564 HydrophobicContact CG2-CG 3.7Å; T465-R564 HydrophobicContact CG2-CG 4.48Å; T465-R564 PolarHBondContact OG1-NH1 3.17Å; E466-R564 PolarHBondContact O-NH1 3.15Å; E466-R564 PolarHBondContact O-NH2 2.99Å; E466-R564 VanDerWaalsContact O-NH2 3.12Å; K560-R564 WeakPolarHBondContact O-CB 3.46Å; K560-R564 PolarHBondContact O-N 3.35Å; L561-R564 WeakPolarHBondContact O-CB 3.19Å; L561-R564 PolarHBondContact O-N 3.19Å; R564-N566 PolarHBondContact O-N 3.43Å
565	L	98.5	Very high	98.3	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.157	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.8	174.6	-62.1	178.7	0	0	0	113.6	V395 F474 V531 L561 M562 D563 L567	V395-L565 HydrophobicContact CG1-CD2 4.44Å; V395-L565 HydrophobicContact CG2-CD2 4.44Å; F474-L565 HydrophobicContact CD2-CD1 4.3Å; F474-L565 HydrophobicContact CE2-CD1 3.79Å; F474-L565 HydrophobicContact CE2-CD2 3.8Å; F474-L565 HydrophobicContact CE2-CG 4.32Å; F474-L565 HydrophobicContact CZ-CD1 4.39Å; F474-L565 HydrophobicContact CZ-CD2 3.86Å; V531-L565 HydrophobicContact CG1-CD1 4Å; V531-L565 HydrophobicContact CG2-CD1 3.89Å; L561-L565 HydrophobicContact CD1-CD1 4.34Å; L561-L565 HydrophobicContact CD1-CG 4.4Å; L561-L565 HydrophobicContact CG-CD1 4.4Å; L561-L565 WeakPolarHBondContact O-CG 3.26Å; L561-L565 PolarHBondContact O-N 2.93Å; M562-L565 PolarHBondContact O-N 3.26Å; D563-L565 VanDerWaalsContact C-N 3.27Å; D563-L565 PolarHBondContact O-N 3.07Å; L565-L567 HydrophobicContact CB-CD1 4.09Å; L565-L567 HydrophobicContact CB-CG 4.1Å; L565-L567 HydrophobicContact CD1-CD1 4.43Å; L565-L567 PolarHBondContact O-N 3.11Å
566	N	98.2	Very high	98.2	Very high	125 Å²	125	28.8 Å²	28.8	67%	0.668	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	31	-175	-161.9	40.1	0	0	0	114	M562 D563 R564 K568	M562-N566 PolarHBondContact O-N 3.17Å; D563-N566 WeakPolarHBondContact O-CA 3.44Å; D563-N566 PolarHBondContact O-N 2.91Å; R564-N566 PolarHBondContact O-N 3.43Å; N566-K568 WeakPolarHBondContact OD1-CE 3.43Å
567	L	98.4	Very high	98.3	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.084	13%	0.13	C	C	.	.			trans	-100	90.9	176.9	-63.7	176.2	0	0	0	109.2	P489 V531 M562 L565 Y570	P489-L567 HydrophobicContact CB-CD1 4.24Å; P489-L567 HydrophobicContact CB-CD2 3.95Å; P489-L567 HydrophobicContact CB-CG 4.47Å; P489-L567 HydrophobicContact CG-CD2 3.9Å; V531-L567 HydrophobicContact CG2-CD1 3.86Å; M562-L567 HydrophobicContact CE-CB 3.73Å; M562-L567 HydrophobicContact CE-CD1 3.63Å; M562-L567 HydrophobicContact CE-CG 4.34Å; M562-L567 PolarHBondContact O-N 3.49Å; M562-L567 HydrophobicContact SD-CD1 4.33Å; L565-L567 HydrophobicContact CB-CD1 4.09Å; L565-L567 HydrophobicContact CB-CG 4.1Å; L565-L567 HydrophobicContact CD1-CD1 4.43Å; L565-L567 PolarHBondContact O-N 3.11Å; L567-Y570 VanDerWaalsContact O-CD1 3.24Å; L567-Y570 WeakPolarHBondContact O-CD1 3.47Å; L567-Y570 WeakPolarHBondContact O-CE1 3.32Å
568	K	97.2	Very high	98.2	Very high	106 Å²	106	28.6 Å²	28.6	46%	0.461	13%	0.13	S	C	.	.			trans	-82.3	-29.6	-171.5	-58.2	-61.6	173	-175.3	0	114.5	D563 N566 R592	D563-K568 IonicContact OD1-NZ 2.76Å; D563-K568 PolarHBondContact OD1-NZ 3.22Å; N566-K568 WeakPolarHBondContact OD1-CE 3.43Å; K568-R592 WeakPolarHBondContact O-CA 3.2Å
569	R	97.8	Very high	98.2	Very high	135 Å²	135	28.7 Å²	28.7	51%	0.509	13%	0.13	S	C	.	.	S	Bend	trans	-128.6	127.8	173.2	-64.8	-167.9	74	-157.5	-1.3	109.8	R592 I594	R569-R592 VanDerWaalsContact CA-O 3.27Å; R569-R592 WeakPolarHBondContact CA-O 3.5Å; R569-I594 HydrophobicContact CB-CD1 4.09Å; R569-I594 HydrophobicContact CB-CG1 3.88Å
570	Y	98.6	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.7	-174.5	48.4	-89.5	0	0	0	111.9	P489 L491 M562 L567 L572 M585 R592 I593 I594	P489-Y570 CarbonylContact O-C 3.59Å; P489-Y570 VanDerWaalsContact O-CA 3.28Å; P489-Y570 WeakPolarHBondContact O-CA 3.3Å; P489-Y570 WeakPolarHBondContact O-CB 3.26Å; L491-Y570 HydrophobicContact CB-CD2 4.33Å; M562-Y570 HydrophobicContact CB-CD1 4.07Å; M562-Y570 HydrophobicContact CB-CE1 3.48Å; M562-Y570 VanDerWaalsContact CB-CE1 3.48Å; M562-Y570 HydrophobicContact CE-CD1 3.61Å; M562-Y570 HydrophobicContact CE-CD2 3.86Å; M562-Y570 HydrophobicContact CE-CE1 4.17Å; M562-Y570 HydrophobicContact CE-CE2 4.37Å; M562-Y570 HydrophobicContact CE-CG 3.45Å; M562-Y570 VanDerWaalsContact CE-CG 3.45Å; M562-Y570 HydrophobicContact CG-CD1 4.22Å; M562-Y570 HydrophobicContact CG-CD2 4.41Å; M562-Y570 HydrophobicContact CG-CE1 3.79Å; M562-Y570 HydrophobicContact CG-CE2 4Å; L567-Y570 VanDerWaalsContact O-CD1 3.24Å; L567-Y570 WeakPolarHBondContact O-CD1 3.47Å; L567-Y570 WeakPolarHBondContact O-CE1 3.32Å; Y570-L572 HydrophobicContact CD2-CD2 4.15Å; Y570-L572 HydrophobicContact CD2-CG 4.34Å; Y570-L572 HydrophobicContact CE2-CD2 3.8Å; Y570-L572 HydrophobicContact CE2-CG 4.19Å; Y570-M585 HydrophobicContact CE2-CE 3.99Å; Y570-M585 WeakPolarHBondContact OH-CE 3.47Å; Y570-R592 HydrophobicContact CE1-CB 4.09Å; Y570-R592 PolarHBondContact N-O 3.09Å; Y570-I593 HydrophobicContact CD2-CD1 4.18Å; Y570-I593 HydrophobicContact CE2-CD1 3.57Å; Y570-I593 WeakPolarHBondContact O-CA 3.34Å; Y570-I594 PolarHBondContact O-N 2.84Å
571	I	98.7	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.2	168.7	-63.6	172.2	0	0	0	108.3	Y488 P489 I490 L491 F528 I594 G595 F800 A801 L804	Y488-I571 HydrophobicContact CD1-CD1 4.16Å; Y488-I571 HydrophobicContact CD2-CD1 4.39Å; Y488-I571 HydrophobicContact CG-CD1 3.84Å; P489-I571 PolarHBondContact O-N 3.15Å; I490-I571 CarbonylContact C-O 3.59Å; I490-I571 VanDerWaalsContact CA-O 3.31Å; I490-I571 WeakPolarHBondContact CA-O 3.47Å; I490-I571 HydrophobicContact CB-CB 4.21Å; I490-I571 HydrophobicContact CD1-CB 4.22Å; I490-I571 HydrophobicContact CD1-CG2 3.77Å; I490-I571 HydrophobicContact CG1-CB 3.88Å; I490-I571 HydrophobicContact CG1-CG2 3.85Å; L491-I571 PolarHBondContact N-O 3.35Å; F528-I571 HydrophobicContact CE1-CD1 3.95Å; I571-I594 HydrophobicContact CG1-CB 4.07Å; I571-I594 HydrophobicContact CG1-CG2 4.34Å; I571-G595 CarbonylContact C-O 3.59Å; I571-G595 WeakPolarHBondContact CA-O 3.3Å; I571-F800 HydrophobicContact CG2-CE1 4.07Å; I571-A801 HydrophobicContact CD1-CB 4.31Å; I571-L804 HydrophobicContact CD1-CD1 3.59Å; I571-L804 HydrophobicContact CG1-CD1 3.84Å
572	L	98.9	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.3	169.5	-73.3	170.8	0	0	0	109.2	L491 Y570 T582 M585 A586 I593 G595 L596 H597	L491-L572 HydrophobicContact CB-CD2 4.15Å; L491-L572 HydrophobicContact CD2-CD2 3.81Å; L491-L572 HydrophobicContact CG-CD2 4.44Å; Y570-L572 HydrophobicContact CD2-CD2 4.15Å; Y570-L572 HydrophobicContact CD2-CG 4.34Å; Y570-L572 HydrophobicContact CE2-CD2 3.8Å; Y570-L572 HydrophobicContact CE2-CG 4.19Å; L572-T582 HydrophobicContact CB-CG2 4.14Å; L572-T582 WeakPolarHBondContact CD1-O 3.49Å; L572-T582 HydrophobicContact CD2-CG2 3.91Å; L572-M585 HydrophobicContact CD1-CB 3.82Å; L572-M585 HydrophobicContact CD2-CB 4.44Å; L572-M585 HydrophobicContact CD2-CE 3.88Å; L572-M585 HydrophobicContact CD2-SD 3.76Å; L572-A586 HydrophobicContact CD1-CB 4.2Å; L572-I593 HydrophobicContact CD1-CD1 3.41Å; L572-I593 VanDerWaalsContact CD1-CD1 3.41Å; L572-I593 HydrophobicContact CD1-CG1 3.75Å; L572-I593 HydrophobicContact CD1-CG2 3.93Å; L572-I593 HydrophobicContact CD2-CD1 4.45Å; L572-I593 HydrophobicContact CG-CD1 3.8Å; L572-I593 HydrophobicContact CG-CG2 4.3Å; L572-G595 PolarHBondContact N-O 3.37Å; L572-L596 HydrophobicContact CB-CD1 3.7Å; L572-L596 HydrophobicContact CD1-CD1 4.24Å; L572-L596 CarbonylContact O-C 3.28Å; L572-H597 PolarHBondContact O-N 2.86Å
573	Q	98.7	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.4	161.2	-175.3	-80.7	-33.7	0	0	110.2	I490 L491 L492 V493 Y503 T582 H597 N599 F793 L797	I490-Q573 HydrophobicContact CD1-CB 4.35Å; L491-Q573 PolarHBondContact O-N 3.44Å; L492-Q573 HydrophobicContact CD2-CB 3.62Å; L492-Q573 HydrophobicContact CD2-CG 4.26Å; V493-Q573 PolarHBondContact N-O 3.04Å; Y503-Q573 VanDerWaalsContact CZ-OE1 3.25Å; Y503-Q573 PolarHBondContact OH-OE1 3.27Å; Q573-T582 WeakPolarHBondContact O-CG2 3.4Å; Q573-H597 VanDerWaalsContact CA-O 3.22Å; Q573-H597 WeakPolarHBondContact CA-O 3.25Å; Q573-H597 HydrophobicContact CB-CB 4.23Å; Q573-H597 HydrophobicContact CG-CB 4.16Å; Q573-H597 WeakPolarHBondContact CG-ND1 3.31Å; Q573-N599 PolarHBondContact NE2-OD1 3.22Å; Q573-F793 HydrophobicContact CG-CE1 4.14Å; Q573-F793 HydrophobicContact CG-CZ 4.37Å; Q573-L797 HydrophobicContact CB-CD2 4.43Å; Q573-L797 HydrophobicContact CG-CD2 4.29Å
574	G	98.4	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.2	178.3	0	0	0	0	0	113.7	H597 N599	G574-H597 PolarHBondContact N-O 2.96Å; G574-H597 VanDerWaalsContact N-O 3.1Å; G574-N599 PolarHBondContact O-OD1 3.4Å
575	T	97	Very high	98.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.103	C	C	.	.			trans	-120	153.2	168.2	-170.7	0	0	0	0	109.3	V493 W577 G578 S579 N599 I786	V493-T575 PolarHBondContact O-N 2.7Å; T575-W577 PolarHBondContact O-N 2.9Å; T575-G578 CarbonylContact O-C 3.2Å; T575-G578 WeakPolarHBondContact O-CA 3.5Å; T575-G578 PolarHBondContact O-N 2.82Å; T575-S579 PolarHBondContact O-N 2.78Å; T575-N599 WeakPolarHBondContact CB-ND2 3.28Å; T575-N599 WeakPolarHBondContact CB-OD1 3.31Å; T575-N599 PolarHBondContact OG1-ND2 3.41Å; T575-I786 HydrophobicContact CG2-CD1 3.91Å
576	D	96.9	Very high	98.2	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	45.8	-125.1	177.2	-173.5	65.6	0	0	0	113.3	G495 W496 G578 S579 M600 H783	G495-D576 VanDerWaalsContact CA-OD2 3.32Å; G495-D576 WeakPolarHBondContact CA-OD2 3.47Å; W496-D576 PolarHBondContact N-OD2 2.94Å; D576-G578 PolarHBondContact O-N 2.58Å; D576-S579 VanDerWaalsContact O-CB 3.27Å; D576-S579 WeakPolarHBondContact O-CB 3.29Å; D576-S579 PolarHBondContact O-N 3.15Å; D576-S579 PolarHBondContact O-OG 2.89Å; D576-M600 VanDerWaalsContact CA-SD 3.53Å; D576-M600 HydrophobicContact CB-SD 4.34Å; D576-H783 IonicContact OD1-CE1 2.93Å; D576-H783 IonicContact OD1-NE2 3.96Å
577	W	97.9	Very high	98.1	Very high	14 Å²	14	15.3 Å²	15.3	5%	0.053	7%	0.066	C	C	.	.	H	α-helix	trans	-57.2	-34.2	174.4	-76	122.2	0	0	0	113.6	L535 T551 T575 S579 V580 V581 Y726 Y727 F730	L535-W577 HydrophobicContact CD1-CB 4.02Å; T551-W577 HydrophobicContact CG2-CE3 3.67Å; T551-W577 HydrophobicContact CG2-CZ3 4.03Å; T575-W577 PolarHBondContact O-N 2.9Å; W577-S579 VanDerWaalsContact C-N 3.27Å; W577-S579 PolarHBondContact O-N 2.7Å; W577-V580 HydrophobicContact CE3-CB 4.46Å; W577-V580 HydrophobicContact CE3-CG2 4.21Å; W577-V580 HydrophobicContact CZ3-CG2 4.45Å; W577-V580 WeakPolarHBondContact O-CB 3.22Å; W577-V580 PolarHBondContact O-N 3.4Å; W577-V580 VanDerWaalsContact O-N 3.11Å; W577-V581 WeakPolarHBondContact O-CG2 3.34Å; W577-V581 PolarHBondContact O-N 2.78Å; W577-Y726 HydrophobicContact CB-CD1 4.15Å; W577-Y726 HydrophobicContact CB-CE1 4.18Å; W577-Y726 AromaticContact CD2-CD1 3.69Å; W577-Y726 HydrophobicContact CD2-CD1 3.69Å; W577-Y726 HydrophobicContact CD2-CE1 4.42Å; W577-Y726 HydrophobicContact CE3-CD1 4.05Å; W577-Y726 AromaticContact CG-CD1 3.73Å; W577-Y726 HydrophobicContact CG-CD1 3.73Å; W577-Y726 HydrophobicContact CG-CE1 4.25Å; W577-Y727 AromaticContact CE2-CE2 3.93Å; W577-Y727 AromaticContact CE2-CZ 3.81Å; W577-Y727 HydrophobicContact CH2-CD1 4.33Å; W577-Y727 AromaticContact CZ2-CD1 3.51Å; W577-Y727 HydrophobicContact CZ2-CD1 3.51Å; W577-Y727 AromaticContact CZ2-CD2 3.93Å; W577-Y727 HydrophobicContact CZ2-CD2 3.93Å; W577-Y727 AromaticContact CZ2-CE1 3.53Å; W577-Y727 HydrophobicContact CZ2-CE1 3.53Å; W577-Y727 AromaticContact CZ2-CE2 3.94Å; W577-Y727 HydrophobicContact CZ2-CE2 3.94Å; W577-Y727 AromaticContact CZ2-CG 3.7Å; W577-Y727 HydrophobicContact CZ2-CG 3.7Å; W577-Y727 AromaticContact CZ2-CZ 3.74Å; W577-Y727 AromaticContact NE1-CD2 3.98Å; W577-Y727 AromaticContact NE1-CE2 3.3Å; W577-Y727 VanDerWaalsContact NE1-CE2 3.3Å; W577-Y727 AromaticContact NE1-CZ 3.34Å; W577-Y727 VanDerWaalsContact NE1-CZ 3.34Å; W577-Y727 PolarHBondContact NE1-OH 3.45Å; W577-F730 HydrophobicContact CE3-CD2 4.43Å; W577-F730 HydrophobicContact CH2-CB 3.77Å; W577-F730 AromaticContact CH2-CD1 3.97Å; W577-F730 HydrophobicContact CH2-CD1 3.97Å; W577-F730 AromaticContact CH2-CD2 3.77Å; W577-F730 HydrophobicContact CH2-CD2 3.77Å; W577-F730 HydrophobicContact CH2-CE1 4.36Å; W577-F730 HydrophobicContact CH2-CE2 4.1Å; W577-F730 AromaticContact CH2-CG 3.61Å; W577-F730 HydrophobicContact CH2-CG 3.61Å; W577-F730 HydrophobicContact CH2-CZ 4.35Å; W577-F730 HydrophobicContact CZ3-CB 4.11Å; W577-F730 HydrophobicContact CZ3-CD1 4.32Å; W577-F730 AromaticContact CZ3-CD2 3.33Å; W577-F730 HydrophobicContact CZ3-CD2 3.33Å; W577-F730 HydrophobicContact CZ3-CE1 4.49Å; W577-F730 AromaticContact CZ3-CE2 3.48Å; W577-F730 HydrophobicContact CZ3-CE2 3.48Å; W577-F730 VanDerWaalsContact CZ3-CE2 3.48Å; W577-F730 AromaticContact CZ3-CG 3.72Å; W577-F730 HydrophobicContact CZ3-CG 3.72Å; W577-F730 HydrophobicContact CZ3-CZ 4.05Å
578	G	98.4	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-31	173	0	0	0	0	0	113.4	V493 H494 T575 D576 V580 V581 T582	V493-G578 VanDerWaalsContact CG1-CA 3.43Å; V493-G578 WeakPolarHBondContact O-CA 3.23Å; H494-G578 WeakPolarHBondContact O-CA 3.46Å; H494-G578 PolarHBondContact O-N 3.1Å; H494-G578 VanDerWaalsContact O-N 3.11Å; T575-G578 CarbonylContact O-C 3.2Å; T575-G578 WeakPolarHBondContact O-CA 3.5Å; T575-G578 PolarHBondContact O-N 2.82Å; D576-G578 PolarHBondContact O-N 2.58Å; G578-V580 VanDerWaalsContact C-N 3.3Å; G578-V580 PolarHBondContact O-N 3.33Å; G578-V581 PolarHBondContact O-N 3.21Å; G578-T582 WeakPolarHBondContact O-CB 3.44Å; G578-T582 VanDerWaalsContact O-CG2 3.28Å; G578-T582 WeakPolarHBondContact O-CG2 3.48Å; G578-T582 PolarHBondContact O-N 3.15Å; G578-T582 PolarHBondContact O-OG1 2.98Å
579	S	98.2	Very high	98.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-39.8	171.5	77.9	0	0	0	0	111.2	T575 D576 W577 T582 T583 M600	T575-S579 PolarHBondContact O-N 2.78Å; D576-S579 VanDerWaalsContact O-CB 3.27Å; D576-S579 WeakPolarHBondContact O-CB 3.29Å; D576-S579 PolarHBondContact O-N 3.15Å; D576-S579 PolarHBondContact O-OG 2.89Å; W577-S579 VanDerWaalsContact C-N 3.27Å; W577-S579 PolarHBondContact O-N 2.7Å; S579-T582 PolarHBondContact O-OG1 2.91Å; S579-T583 WeakPolarHBondContact O-CB 3.3Å; S579-T583 PolarHBondContact O-N 3.5Å; S579-T583 PolarHBondContact O-OG1 3.2Å; S579-M600 VanDerWaalsContact CB-O 3.24Å; S579-M600 WeakPolarHBondContact CB-O 3.39Å
580	V	97.5	Very high	98	Very high	16 Å²	16	8.8 Å²	8.8	10%	0.097	5%	0.046	C	C	.	.	H	α-helix	trans	-71.1	-44.8	177.7	-176	0	0	0	0	110.9	T551 W577 G578 T584 V602 F730	T551-V580 HydrophobicContact CG2-CB 4.11Å; T551-V580 HydrophobicContact CG2-CG1 3.78Å; W577-V580 HydrophobicContact CE3-CB 4.46Å; W577-V580 HydrophobicContact CE3-CG2 4.21Å; W577-V580 HydrophobicContact CZ3-CG2 4.45Å; W577-V580 WeakPolarHBondContact O-CB 3.22Å; W577-V580 PolarHBondContact O-N 3.4Å; W577-V580 VanDerWaalsContact O-N 3.11Å; G578-V580 VanDerWaalsContact C-N 3.3Å; G578-V580 PolarHBondContact O-N 3.33Å; V580-T584 WeakPolarHBondContact O-CB 3.4Å; V580-T584 PolarHBondContact O-N 2.71Å; V580-T584 PolarHBondContact O-OG1 3.24Å; V580-V602 HydrophobicContact CG2-CG2 4.09Å; V580-F730 HydrophobicContact CG1-CE2 4.06Å
581	V	98.5	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-51.3	178.6	170.7	0	0	0	0	110.6	V493 L535 T551 T554 A555 F558 W577 G578 T584 M585 Y726	V493-V581 HydrophobicContact CG1-CB 4.42Å; V493-V581 HydrophobicContact CG1-CG1 4.43Å; L535-V581 HydrophobicContact CD2-CG2 4.25Å; T551-V581 HydrophobicContact CG2-CG2 4.12Å; T554-V581 HydrophobicContact CG2-CG1 4.03Å; T554-V581 HydrophobicContact CG2-CG2 4.13Å; A555-V581 HydrophobicContact CB-CG1 4.4Å; F558-V581 HydrophobicContact CD2-CG1 3.84Å; F558-V581 HydrophobicContact CE2-CG1 4.2Å; W577-V581 WeakPolarHBondContact O-CG2 3.34Å; W577-V581 PolarHBondContact O-N 2.78Å; G578-V581 PolarHBondContact O-N 3.21Å; V581-T584 CarbonylContact O-C 3.57Å; V581-T584 WeakPolarHBondContact O-CB 3.4Å; V581-T584 PolarHBondContact O-N 3.45Å; V581-T584 VanDerWaalsContact O-N 3.15Å; V581-M585 HydrophobicContact CG1-SD 4.26Å; V581-M585 WeakPolarHBondContact O-CG 3.34Å; V581-M585 PolarHBondContact O-N 2.76Å; V581-Y726 HydrophobicContact CG2-CE1 4.37Å
582	T	98.8	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.6	-38.7	-178.7	56	0	0	0	0	112.3	V493 L572 Q573 G578 S579 T584 M585 A586	V493-T582 HydrophobicContact CB-CG2 3.94Å; V493-T582 HydrophobicContact CG2-CG2 3.6Å; L572-T582 HydrophobicContact CB-CG2 4.14Å; L572-T582 WeakPolarHBondContact CD1-O 3.49Å; L572-T582 HydrophobicContact CD2-CG2 3.91Å; Q573-T582 WeakPolarHBondContact O-CG2 3.4Å; G578-T582 WeakPolarHBondContact O-CB 3.44Å; G578-T582 VanDerWaalsContact O-CG2 3.28Å; G578-T582 WeakPolarHBondContact O-CG2 3.48Å; G578-T582 PolarHBondContact O-N 3.15Å; G578-T582 PolarHBondContact O-OG1 2.98Å; S579-T582 PolarHBondContact O-OG1 2.91Å; T582-T584 VanDerWaalsContact C-N 3.29Å; T582-T584 PolarHBondContact O-N 2.8Å; T582-M585 WeakPolarHBondContact O-CB 3.39Å; T582-M585 PolarHBondContact O-N 3.04Å; T582-A586 PolarHBondContact O-N 3Å
583	T	98.6	Very high	97.9	Very high	4 Å²	4	19 Å²	19	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-44.7	170	-66.4	0	0	0	0	111.1	S579 A586 Q587 V744 Y769	S579-T583 WeakPolarHBondContact O-CB 3.3Å; S579-T583 PolarHBondContact O-N 3.5Å; S579-T583 PolarHBondContact O-OG1 3.2Å; T583-A586 PolarHBondContact O-N 3.47Å; T583-Q587 VanDerWaalsContact O-CG 3.32Å; T583-Q587 WeakPolarHBondContact O-CG 3.5Å; T583-Q587 PolarHBondContact O-N 3.1Å; T583-V744 HydrophobicContact CG2-CG2 3.85Å; T583-Y769 HydrophobicContact CG2-CE1 4.27Å
584	T	97.9	Very high	97.8	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-41.4	177.4	-55.7	0	0	0	0	111	L552 A555 V580 V581 T582 A586 Q587 L588 L739	L552-T584 HydrophobicContact CD1-CG2 3.97Å; A555-T584 HydrophobicContact CB-CG2 3.69Å; V580-T584 WeakPolarHBondContact O-CB 3.4Å; V580-T584 PolarHBondContact O-N 2.71Å; V580-T584 PolarHBondContact O-OG1 3.24Å; V581-T584 CarbonylContact O-C 3.57Å; V581-T584 WeakPolarHBondContact O-CB 3.4Å; V581-T584 PolarHBondContact O-N 3.45Å; V581-T584 VanDerWaalsContact O-N 3.15Å; T582-T584 VanDerWaalsContact C-N 3.29Å; T582-T584 PolarHBondContact O-N 2.8Å; T584-A586 VanDerWaalsContact C-N 3.33Å; T584-A586 PolarHBondContact O-N 2.81Å; T584-Q587 PolarHBondContact O-N 2.78Å; T584-L588 HydrophobicContact CG2-CD1 3.6Å; T584-L588 HydrophobicContact CG2-CG 4.11Å; T584-L588 WeakPolarHBondContact O-CB 3.44Å; T584-L588 VanDerWaalsContact O-CG 3.25Å; T584-L588 WeakPolarHBondContact O-CG 3.29Å; T584-L588 PolarHBondContact O-N 2.79Å; T584-L739 HydrophobicContact CG2-CD1 4.23Å; T584-L739 HydrophobicContact CG2-CD2 4.28Å
585	M	98.5	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-42.6	173.8	-68.4	175.5	75.5	0	0	112.2	L491 A555 F558 A559 Y570 L572 V581 T582 Q587 L588 Y589	L491-M585 HydrophobicContact CD2-CE 3.67Å; L491-M585 HydrophobicContact CD2-SD 3.86Å; A555-M585 HydrophobicContact CB-CG 3.59Å; A555-M585 WeakPolarHBondContact O-CG 3.4Å; F558-M585 HydrophobicContact CB-CE 3.95Å; F558-M585 HydrophobicContact CB-SD 3.93Å; A559-M585 HydrophobicContact CB-CE 4.33Å; Y570-M585 HydrophobicContact CE2-CE 3.99Å; Y570-M585 WeakPolarHBondContact OH-CE 3.47Å; L572-M585 HydrophobicContact CD1-CB 3.82Å; L572-M585 HydrophobicContact CD2-CB 4.44Å; L572-M585 HydrophobicContact CD2-CE 3.88Å; L572-M585 HydrophobicContact CD2-SD 3.76Å; V581-M585 HydrophobicContact CG1-SD 4.26Å; V581-M585 WeakPolarHBondContact O-CG 3.34Å; V581-M585 PolarHBondContact O-N 2.76Å; T582-M585 WeakPolarHBondContact O-CB 3.39Å; T582-M585 PolarHBondContact O-N 3.04Å; M585-Q587 VanDerWaalsContact C-N 3.29Å; M585-Q587 PolarHBondContact O-N 3.29Å; M585-L588 PolarHBondContact O-N 2.87Å; M585-Y589 PolarHBondContact O-N 3.17Å
586	A	98.5	Very high	97.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-27.5	177.9	0	0	0	0	0	113.6	L572 T582 T583 T584 I593 L596 V744 T746	L572-A586 HydrophobicContact CD1-CB 4.2Å; T582-A586 PolarHBondContact O-N 3Å; T583-A586 PolarHBondContact O-N 3.47Å; T584-A586 VanDerWaalsContact C-N 3.33Å; T584-A586 PolarHBondContact O-N 2.81Å; A586-I593 HydrophobicContact CB-CG1 4.49Å; A586-L596 HydrophobicContact CB-CD2 3.97Å; A586-V744 HydrophobicContact CB-CG1 3.97Å; A586-T746 HydrophobicContact CB-CG2 4.08Å
587	Q	97.7	Very high	98	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-74.5	-45.6	172.4	-69.8	169	-38.8	0	0	111.7	L375 T583 T584 M585 L739 A742 V744	L375-Q587 HydrophobicContact CD1-CB 4.48Å; L375-Q587 WeakPolarHBondContact CD1-O 3.18Å; L375-Q587 HydrophobicContact CD2-CB 3.98Å; T583-Q587 VanDerWaalsContact O-CG 3.32Å; T583-Q587 WeakPolarHBondContact O-CG 3.5Å; T583-Q587 PolarHBondContact O-N 3.1Å; T584-Q587 PolarHBondContact O-N 2.78Å; M585-Q587 VanDerWaalsContact C-N 3.29Å; M585-Q587 PolarHBondContact O-N 3.29Å; Q587-L739 PolarHBondContact NE2-O 3.46Å; Q587-A742 PolarHBondContact NE2-O 3.38Å; Q587-V744 HydrophobicContact CG-CG2 3.78Å
588	L	96.8	Very high	98	Very high	24 Å²	24	18.4 Å²	18.4	13%	0.126	9%	0.094	C	C	.	.	H	α-helix	trans	-85.9	-29.6	-170.4	-60.2	179.8	0	0	0	113.7	L375 I378 L552 T584 M585 P590 L739	L375-L588 HydrophobicContact CB-CD2 4.22Å; L375-L588 HydrophobicContact CD1-CD2 4.16Å; L375-L588 HydrophobicContact CD2-CD2 4.23Å; L375-L588 HydrophobicContact CG-CD2 4.44Å; I378-L588 HydrophobicContact CD1-CB 3.75Å; I378-L588 HydrophobicContact CD1-CD1 3.58Å; I378-L588 HydrophobicContact CD1-CD2 3.8Å; I378-L588 HydrophobicContact CD1-CG 3.84Å; I378-L588 HydrophobicContact CG1-CD1 4.09Å; I378-L588 HydrophobicContact CG1-CD2 4.23Å; L552-L588 HydrophobicContact CD1-CD1 3.46Å; L552-L588 VanDerWaalsContact CD1-CD1 3.46Å; T584-L588 HydrophobicContact CG2-CD1 3.6Å; T584-L588 HydrophobicContact CG2-CG 4.11Å; T584-L588 WeakPolarHBondContact O-CB 3.44Å; T584-L588 VanDerWaalsContact O-CG 3.25Å; T584-L588 WeakPolarHBondContact O-CG 3.29Å; T584-L588 PolarHBondContact O-N 2.79Å; M585-L588 PolarHBondContact O-N 2.87Å; L588-P590 VanDerWaalsContact C-CD 3.45Å; L588-L739 HydrophobicContact CD2-CD2 4.42Å
589	Y	96.9	Very high	97.9	Very high	42 Å²	42	18.6 Å²	18.6	17%	0.165	10%	0.095	C	C	.	.			trans	-132	49.3	-174.8	-48	-69.5	0	0	0	112.8	I378 A559 M585 D591 R592	I378-Y589 HydrophobicContact CD1-CE1 4.39Å; A559-Y589 HydrophobicContact CB-CD2 3.66Å; A559-Y589 HydrophobicContact CB-CE2 3.53Å; A559-Y589 HydrophobicContact CB-CG 4.3Å; M585-Y589 PolarHBondContact O-N 3.17Å; Y589-D591 PolarHBondContact O-N 3.46Å; Y589-D591 VanDerWaalsContact O-N 3.1Å; Y589-R592 WeakPolarHBondContact O-CB 3.42Å; Y589-R592 PolarHBondContact O-N 2.99Å
590	P	96.8	Very high	97.7	Very high	53 Å²	53	19.4 Å²	19.4	34%	0.344	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-56.6	-32.5	-171.7	24	-34.9	0	0	0	113.5	L588 R592 I593 T746	L588-P590 VanDerWaalsContact C-CD 3.45Å; P590-R592 PolarHBondContact O-N 2.79Å; P590-I593 PolarHBondContact O-N 3.41Å; P590-T746 HydrophobicContact CB-CG2 3.93Å
591	D	97	Very high	97.5	Very high	144 Å²	144	18.9 Å²	18.9	77%	0.77	10%	0.096	S	C	*	.	G	3₁₀ helix	trans	-64	-22.5	-179.9	-58.1	-33.2	0	0	0	113.5	Y589	Y589-D591 PolarHBondContact O-N 3.46Å; Y589-D591 VanDerWaalsContact O-N 3.1Å
592	R	97.8	Very high	97.1	Very high	67 Å²	67	20.1 Å²	20.1	25%	0.253	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-86.7	-11.9	178.1	-54.1	-176.3	-174.8	-157	-9.1	112.6	A559 D563 K568 R569 Y570 Y589 P590	A559-R592 PolarHBondContact O-NH1 3.28Å; D563-R592 VanDerWaalsContact CG-NH1 3.32Å; D563-R592 IonicContact OD1-CZ 3.76Å; D563-R592 IonicContact OD1-NH1 2.82Å; D563-R592 IonicContact OD2-CZ 2.88Å; D563-R592 IonicContact OD2-NH1 3.72Å; D563-R592 PolarHBondContact OD2-NH1 3.01Å; D563-R592 IonicContact OD2-NH2 2.79Å; D563-R592 PolarHBondContact OD2-NH2 2.92Å; K568-R592 WeakPolarHBondContact O-CA 3.2Å; R569-R592 VanDerWaalsContact CA-O 3.27Å; R569-R592 WeakPolarHBondContact CA-O 3.5Å; Y570-R592 HydrophobicContact CE1-CB 4.09Å; Y570-R592 PolarHBondContact N-O 3.09Å; Y589-R592 WeakPolarHBondContact O-CB 3.42Å; Y589-R592 PolarHBondContact O-N 2.99Å; P590-R592 PolarHBondContact O-N 2.79Å
593	I	98.6	Very high	96.6	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.9	-168.2	-52.4	-43.5	0	0	0	109.9	Y570 L572 A586 P590 G595 T746	Y570-I593 HydrophobicContact CD2-CD1 4.18Å; Y570-I593 HydrophobicContact CE2-CD1 3.57Å; Y570-I593 WeakPolarHBondContact O-CA 3.34Å; L572-I593 HydrophobicContact CD1-CD1 3.41Å; L572-I593 VanDerWaalsContact CD1-CD1 3.41Å; L572-I593 HydrophobicContact CD1-CG1 3.75Å; L572-I593 HydrophobicContact CD1-CG2 3.93Å; L572-I593 HydrophobicContact CD2-CD1 4.45Å; L572-I593 HydrophobicContact CG-CD1 3.8Å; L572-I593 HydrophobicContact CG-CG2 4.3Å; A586-I593 HydrophobicContact CB-CG1 4.49Å; P590-I593 PolarHBondContact O-N 3.41Å; I593-G595 WeakPolarHBondContact CG2-O 3.37Å; I593-T746 HydrophobicContact CB-CG2 3.78Å; I593-T746 HydrophobicContact CG1-CG2 4.38Å; I593-T746 HydrophobicContact CG2-CG2 3.96Å
594	I	98.1	Very high	95.9	Very high	17 Å²	17	22.2 Å²	22.2	9%	0.087	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-45.1	172.3	-57.5	174.8	0	0	0	109.2	Y488 R569 Y570 I571 L804 T806	Y488-I594 HydrophobicContact CD1-CD1 4.02Å; Y488-I594 HydrophobicContact CE1-CG2 4.47Å; R569-I594 HydrophobicContact CB-CD1 4.09Å; R569-I594 HydrophobicContact CB-CG1 3.88Å; Y570-I594 PolarHBondContact O-N 2.84Å; I571-I594 HydrophobicContact CG1-CB 4.07Å; I571-I594 HydrophobicContact CG1-CG2 4.34Å; I594-L804 HydrophobicContact CG2-CB 4.27Å; I594-L804 HydrophobicContact CG2-CD1 3.9Å; I594-L804 HydrophobicContact CG2-CG 4.5Å; I594-L804 WeakPolarHBondContact O-CD2 3.08Å; I594-T806 HydrophobicContact CG2-CG2 3.44Å; I594-T806 VanDerWaalsContact CG2-CG2 3.44Å
595	G	98.4	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	156.9	176.6	0	0	0	0	0	112.1	I571 L572 I593 P747	I571-G595 CarbonylContact C-O 3.59Å; I571-G595 WeakPolarHBondContact CA-O 3.3Å; L572-G595 PolarHBondContact N-O 3.37Å; I593-G595 WeakPolarHBondContact CG2-O 3.37Å; G595-P747 CarbonylContact C-O 3.6Å; G595-P747 WeakPolarHBondContact CA-O 3.45Å
596	L	98.8	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.6	176.2	175.3	64	0	0	0	109.8	L572 A586 L598 V744 P747 T748 A749 Y769	L572-L596 HydrophobicContact CB-CD1 3.7Å; L572-L596 HydrophobicContact CD1-CD1 4.24Å; L572-L596 CarbonylContact O-C 3.28Å; A586-L596 HydrophobicContact CB-CD2 3.97Å; L596-L598 HydrophobicContact CD1-CD2 3.92Å; L596-L598 HydrophobicContact CD1-CG 4.2Å; L596-L598 HydrophobicContact CD2-CD1 4.05Å; L596-L598 HydrophobicContact CD2-CG 4.34Å; L596-L598 HydrophobicContact CG-CD1 4.27Å; L596-L598 HydrophobicContact CG-CD2 4.28Å; L596-L598 HydrophobicContact CG-CG 4.01Å; L596-V744 HydrophobicContact CD2-CG1 4.04Å; L596-P747 PolarHBondContact N-O 3.22Å; L596-T748 HydrophobicContact CB-CG2 4.38Å; L596-T748 HydrophobicContact CD2-CG2 4.28Å; L596-T748 HydrophobicContact CG-CG2 4.31Å; L596-T748 CarbonylContact O-C 3.58Å; L596-T748 WeakPolarHBondContact O-CA 3.49Å; L596-A749 PolarHBondContact O-N 3.41Å; L596-Y769 HydrophobicContact CD2-CD1 4.23Å; L596-Y769 HydrophobicContact CD2-CE1 3.94Å
597	H	98.7	Very high	93.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.6	176.1	-179.8	-80.2	0	0	0	110.5	L572 Q573 G574 A749 F793 E796 L797 F800	L572-H597 PolarHBondContact O-N 2.86Å; Q573-H597 VanDerWaalsContact CA-O 3.22Å; Q573-H597 WeakPolarHBondContact CA-O 3.25Å; Q573-H597 HydrophobicContact CB-CB 4.23Å; Q573-H597 HydrophobicContact CG-CB 4.16Å; Q573-H597 WeakPolarHBondContact CG-ND1 3.31Å; G574-H597 PolarHBondContact N-O 2.96Å; G574-H597 VanDerWaalsContact N-O 3.1Å; H597-A749 WeakPolarHBondContact CA-O 3.43Å; H597-F793 AromaticContact CE1-CE1 3.73Å; H597-F793 AromaticContact CE1-CZ 3.64Å; H597-E796 WeakPolarHBondContact NE2-CG 3.43Å; H597-L797 HydrophobicContact CB-CD2 3.8Å; H597-L797 VanDerWaalsContact CG-CD2 3.46Å; H597-F800 HydrophobicContact CB-CD1 3.89Å; H597-F800 HydrophobicContact CB-CE1 3.87Å
598	L	98.5	Very high	92.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.1	-177.1	-62.1	175.8	0	0	0	110.7	L596 V601 A749 V750 A751 Y769	L596-L598 HydrophobicContact CD1-CD2 3.92Å; L596-L598 HydrophobicContact CD1-CG 4.2Å; L596-L598 HydrophobicContact CD2-CD1 4.05Å; L596-L598 HydrophobicContact CD2-CG 4.34Å; L596-L598 HydrophobicContact CG-CD1 4.27Å; L596-L598 HydrophobicContact CG-CD2 4.28Å; L596-L598 HydrophobicContact CG-CG 4.01Å; L598-V601 HydrophobicContact CB-CG2 4.23Å; L598-V601 HydrophobicContact CD1-CG2 4.23Å; L598-A749 PolarHBondContact N-O 2.76Å; L598-V750 CarbonylContact O-C 3.49Å; L598-V750 VanDerWaalsContact O-CA 3.25Å; L598-V750 WeakPolarHBondContact O-CA 3.35Å; L598-A751 PolarHBondContact O-N 2.97Å; L598-Y769 HydrophobicContact CD1-CE1 3.58Å; L598-Y769 HydrophobicContact CD1-CE2 4.29Å; L598-Y769 VanDerWaalsContact CD1-CZ 3.42Å; L598-Y769 WeakPolarHBondContact CD1-OH 3.49Å
599	N	96.1	Very high	91.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.145	C	C	.	.	S	Bend	trans	-104.2	-12.4	168	59.8	-71.8	0	0	0	113	Q573 G574 T575 A751 F753 F793	Q573-N599 PolarHBondContact NE2-OD1 3.22Å; G574-N599 PolarHBondContact O-OD1 3.4Å; T575-N599 WeakPolarHBondContact CB-ND2 3.28Å; T575-N599 WeakPolarHBondContact CB-OD1 3.31Å; T575-N599 PolarHBondContact OG1-ND2 3.41Å; N599-A751 WeakPolarHBondContact CA-O 3.44Å; N599-A751 HydrophobicContact CB-CB 4.32Å; N599-F753 HydrophobicContact CB-CD2 4.15Å; N599-F753 HydrophobicContact CB-CE2 4.01Å; N599-F793 HydrophobicContact CB-CE2 3.67Å; N599-F793 HydrophobicContact CB-CZ 3.99Å
600	M	94.3	Very high	91.2	Very high	18 Å²	18	34.7 Å²	34.7	9%	0.089	17%	0.168	C	C	.	.	S	Bend	trans	-126.2	132	167.4	-178	-171.9	172.8	0	0	108.5	D576 S579 V602 E756 L758	D576-M600 VanDerWaalsContact CA-SD 3.53Å; D576-M600 HydrophobicContact CB-SD 4.34Å; S579-M600 VanDerWaalsContact CB-O 3.24Å; S579-M600 WeakPolarHBondContact CB-O 3.39Å; M600-V602 HydrophobicContact CE-CG2 4.37Å; M600-E756 HydrophobicContact CB-CG 4.43Å; M600-E756 HydrophobicContact CG-CG 4.49Å; M600-L758 HydrophobicContact CE-CB 4.47Å; M600-L758 HydrophobicContact CE-CD1 3.4Å; M600-L758 VanDerWaalsContact CE-CD1 3.4Å; M600-L758 HydrophobicContact CE-CG 3.86Å; M600-L758 HydrophobicContact CG-CB 4.36Å
601	V	92.2	Very high	90.5	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.036	15%	0.152	C	C	.	.			trans	-116	131.4	-179.8	163.7	0	0	0	0	109.3	L598 V603 V750 Y760 Y769	L598-V601 HydrophobicContact CB-CG2 4.23Å; L598-V601 HydrophobicContact CD1-CG2 4.23Å; V601-V603 HydrophobicContact CG1-CB 4.24Å; V601-V603 HydrophobicContact CG1-CG2 3.52Å; V601-V750 HydrophobicContact CG2-CB 4.37Å; V601-V750 HydrophobicContact CG2-CG1 3.76Å; V601-V750 HydrophobicContact CG2-CG2 3.62Å; V601-Y760 HydrophobicContact CB-CD2 4.31Å; V601-Y760 HydrophobicContact CG1-CD2 4.04Å; V601-Y760 WeakPolarHBondContact O-CE2 3.43Å; V601-Y769 HydrophobicContact CB-CE2 4.42Å; V601-Y769 HydrophobicContact CG1-CE2 3.59Å; V601-Y769 HydrophobicContact CG2-CE2 4.03Å
602	V	90.3	Very high	89.7	Confident	26 Å²	26	30 Å²	30	16%	0.158	13%	0.133	C	C	.	.			trans	-103.5	96.5	173.8	-171.5	0	0	0	0	110.3	V580 M600 L740 L758 K768	V580-V602 HydrophobicContact CG2-CG2 4.09Å; M600-V602 HydrophobicContact CE-CG2 4.37Å; V602-L740 HydrophobicContact CG1-CD2 3.65Å; V602-L758 HydrophobicContact CG2-CD1 4.21Å; V602-K768 PolarHBondContact O-NZ 3.46Å
603	V	87.3	Confident	88.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.			trans	-126.2	118.3	175.2	168.1	0	0	0	0	108.5	V601 P605 Y608 Y760 K768 Y769	V601-V603 HydrophobicContact CG1-CB 4.24Å; V601-V603 HydrophobicContact CG1-CG2 3.52Å; V603-P605 WeakPolarHBondContact O-CD 3.23Å; V603-Y608 HydrophobicContact CG1-CD2 4.13Å; V603-Y608 HydrophobicContact CG1-CE2 3.71Å; V603-Y760 HydrophobicContact CB-CD2 4.22Å; V603-Y760 HydrophobicContact CB-CE2 4.27Å; V603-Y760 HydrophobicContact CB-CG 4.37Å; V603-Y760 WeakPolarHBondContact O-CE1 3.2Å; V603-Y760 PolarHBondContact O-OH 3.38Å; V603-K768 HydrophobicContact CG2-CB 3.98Å; V603-K768 HydrophobicContact CG2-CD 4.12Å; V603-Y769 HydrophobicContact CG2-CE2 4.49Å
604	I	84.5	Confident	87.7	Confident	47 Å²	47	35.9 Å²	35.9	24%	0.241	17%	0.169	C	C	.	.			trans	-93.3	110.9	172.9	-57.1	177.8	0	0	0	107.8	Y606 I607 Y608 L740	I604-Y606 HydrophobicContact CG2-CD2 4.24Å; I604-Y606 PolarHBondContact O-N 3.5Å; I604-Y606 VanDerWaalsContact O-N 3.08Å; I604-I607 HydrophobicContact CB-CD1 4.14Å; I604-I607 HydrophobicContact CB-CG1 4.33Å; I604-I607 HydrophobicContact CB-CG2 4.09Å; I604-I607 HydrophobicContact CG2-CG2 4.01Å; I604-I607 WeakPolarHBondContact O-CG1 3.42Å; I604-I607 PolarHBondContact O-N 2.95Å; I604-Y608 VanDerWaalsContact O-CD2 3.25Å; I604-Y608 WeakPolarHBondContact O-CD2 3.18Å; I604-L740 HydrophobicContact CD1-CD1 3.8Å
605	P	80.7	Confident	86.6	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.026	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-55.6	-35.9	-174.5	-27.3	35.7	0	0	0	113.5	V603 I607 Y608 L611 L615 Y760 F764	V603-P605 WeakPolarHBondContact O-CD 3.23Å; P605-I607 PolarHBondContact O-N 3.39Å; P605-Y608 PolarHBondContact O-N 3.39Å; P605-L611 HydrophobicContact CB-CD1 4.1Å; P605-L615 HydrophobicContact CB-CD1 4.24Å; P605-L615 HydrophobicContact CB-CD2 4.46Å; P605-Y760 HydrophobicContact CG-CE1 4.29Å; P605-F764 HydrophobicContact CB-CD1 4.13Å; P605-F764 HydrophobicContact CB-CE1 3.82Å; P605-F764 HydrophobicContact CG-CD1 3.85Å; P605-F764 HydrophobicContact CG-CE1 3.78Å
606	Y	79.1	Confident	85.6	Confident	131 Å²	131	40.1 Å²	40.1	51%	0.514	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-72.5	1.4	-179	-48.9	-73.5	0	0	0	115.6	I604 W612 L615	I604-Y606 HydrophobicContact CG2-CD2 4.24Å; I604-Y606 PolarHBondContact O-N 3.5Å; I604-Y606 VanDerWaalsContact O-N 3.08Å; Y606-W612 HydrophobicContact CD1-CH2 4.38Å; Y606-W612 HydrophobicContact CD1-CZ3 4.48Å; Y606-W612 WeakPolarHBondContact O-CZ3 3.11Å; Y606-L615 HydrophobicContact CD1-CD1 4.02Å; Y606-L615 HydrophobicContact CE1-CD1 4.27Å
607	I	83.5	Confident	84.4	Confident	40 Å²	40	47.7 Å²	47.7	21%	0.205	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-102.8	-2.6	171.4	78.7	-171.8	0	0	0	112.2	I604 P605 P609 L740 R741	I604-I607 HydrophobicContact CB-CD1 4.14Å; I604-I607 HydrophobicContact CB-CG1 4.33Å; I604-I607 HydrophobicContact CB-CG2 4.09Å; I604-I607 HydrophobicContact CG2-CG2 4.01Å; I604-I607 WeakPolarHBondContact O-CG1 3.42Å; I604-I607 PolarHBondContact O-N 2.95Å; P605-I607 PolarHBondContact O-N 3.39Å; I607-P609 WeakPolarHBondContact O-CD 3.45Å; I607-L740 HydrophobicContact CD1-CB 4Å; I607-R741 HydrophobicContact CD1-CB 3.88Å; I607-R741 HydrophobicContact CD1-CG 4.45Å; I607-R741 HydrophobicContact CG1-CB 4.29Å; I607-R741 HydrophobicContact CG1-CG 4.33Å; I607-R741 PolarHBondContact O-NE 2.95Å
608	Y	83.4	Confident	83	Confident	7 Å²	7	49 Å²	49	3%	0.027	23%	0.228	C	C	.	.			trans	-108.3	107.5	-178.1	-64.9	-78.4	0	0	0	111.7	V603 I604 P605 K610 L611 L740 Q767 K768	V603-Y608 HydrophobicContact CG1-CD2 4.13Å; V603-Y608 HydrophobicContact CG1-CE2 3.71Å; I604-Y608 VanDerWaalsContact O-CD2 3.25Å; I604-Y608 WeakPolarHBondContact O-CD2 3.18Å; P605-Y608 PolarHBondContact O-N 3.39Å; Y608-K610 PolarHBondContact O-N 2.93Å; Y608-K610 VanDerWaalsContact O-N 3.14Å; Y608-L611 HydrophobicContact CD2-CD1 4.44Å; Y608-L611 PolarHBondContact O-N 3.48Å; Y608-L740 PolarHBondContact OH-O 3.26Å; Y608-L740 VanDerWaalsContact OH-O 3.14Å; Y608-Q767 HydrophobicContact CD1-CB 3.64Å; Y608-Q767 HydrophobicContact CD2-CB 4.36Å; Y608-Q767 HydrophobicContact CE1-CB 3.97Å; Y608-Q767 HydrophobicContact CG-CB 3.85Å; Y608-Q767 HydrophobicContact CG-CG 4.42Å; Y608-K768 WeakPolarHBondContact OH-CB 3.47Å
609	P	79.6	Confident	81.6	Confident	15 Å²	15	52.7 Å²	52.7	10%	0.097	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-50.5	-40.8	178.7	-21.7	20.5	0	0	0	115.3	W369 L370 I607 L611 W612 P613	W369-P609 HydrophobicContact CD2-CB 3.97Å; W369-P609 HydrophobicContact CD2-CG 3.48Å; W369-P609 VanDerWaalsContact CD2-CG 3.48Å; W369-P609 HydrophobicContact CE3-CB 3.48Å; W369-P609 VanDerWaalsContact CE3-CB 3.48Å; W369-P609 HydrophobicContact CE3-CG 3.53Å; W369-P609 HydrophobicContact CG-CG 4.07Å; W369-P609 HydrophobicContact CH2-CB 3.65Å; W369-P609 HydrophobicContact CH2-CG 4.07Å; W369-P609 HydrophobicContact CZ2-CB 4.01Å; W369-P609 HydrophobicContact CZ2-CG 3.93Å; W369-P609 HydrophobicContact CZ3-CB 3.32Å; W369-P609 HydrophobicContact CZ3-CG 3.84Å; W369-P609 WeakPolarHBondContact O-CG 3.36Å; L370-P609 HydrophobicContact CD2-CB 3.68Å; L370-P609 HydrophobicContact CD2-CG 4.15Å; I607-P609 WeakPolarHBondContact O-CD 3.45Å; P609-L611 PolarHBondContact O-N 3.29Å; P609-L611 VanDerWaalsContact O-N 3.15Å; P609-W612 WeakPolarHBondContact O-CB 3.36Å; P609-W612 PolarHBondContact O-N 3.11Å; P609-P613 WeakPolarHBondContact O-CD 3.25Å
610	K	80.9	Confident	80.3	Confident	146 Å²	146	54.6 Å²	54.6	64%	0.635	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.9	-176.5	-63.9	-175.9	179.3	-177.6	0	112.6	Y608	Y608-K610 PolarHBondContact O-N 2.93Å; Y608-K610 VanDerWaalsContact O-N 3.14Å
611	L	82.4	Confident	79	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-88.5	-18	175.2	-60.5	-177.7	0	0	0	112.8	P605 Y608 P609 K614 L615 F764 Q767	P605-L611 HydrophobicContact CB-CD1 4.1Å; Y608-L611 HydrophobicContact CD2-CD1 4.44Å; Y608-L611 PolarHBondContact O-N 3.48Å; P609-L611 PolarHBondContact O-N 3.29Å; P609-L611 VanDerWaalsContact O-N 3.15Å; L611-K614 PolarHBondContact O-N 3.09Å; L611-K614 VanDerWaalsContact O-N 3.11Å; L611-L615 HydrophobicContact CB-CD1 4.23Å; L611-L615 WeakPolarHBondContact O-CG 3.09Å; L611-L615 PolarHBondContact O-N 3.47Å; L611-F764 HydrophobicContact CD1-CD1 3.84Å; L611-F764 HydrophobicContact CD1-CD2 4.49Å; L611-F764 HydrophobicContact CD1-CE1 4.07Å; L611-F764 HydrophobicContact CD1-CG 4.07Å; L611-F764 HydrophobicContact CD2-CD2 4.13Å; L611-F764 HydrophobicContact CD2-CE2 4.18Å; L611-F764 HydrophobicContact CD2-CG 4.48Å; L611-Q767 HydrophobicContact CD1-CG 3.99Å; L611-Q767 HydrophobicContact CD2-CG 3.85Å; L611-Q767 HydrophobicContact CG-CG 3.89Å
612	W	79.5	Confident	77.6	Confident	96 Å²	96	58.2 Å²	58.2	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-44.6	-175.9	-136	-98.1	0	0	0	114.2	W369 Y606 P609 K614 L615 L616	W369-W612 HydrophobicContact CH2-CB 4.28Å; W369-W612 AromaticContact CH2-CD2 3.97Å; W369-W612 HydrophobicContact CH2-CD2 3.97Å; W369-W612 AromaticContact CH2-CE3 3.74Å; W369-W612 HydrophobicContact CH2-CE3 3.74Å; W369-W612 HydrophobicContact CH2-CG 4.22Å; W369-W612 HydrophobicContact CH2-CZ3 4.31Å; W369-W612 HydrophobicContact CZ2-CD2 4.41Å; W369-W612 AromaticContact CZ2-CE3 3.78Å; W369-W612 HydrophobicContact CZ2-CE3 3.78Å; W369-W612 AromaticContact CZ2-CZ3 3.94Å; W369-W612 HydrophobicContact CZ2-CZ3 3.94Å; Y606-W612 HydrophobicContact CD1-CH2 4.38Å; Y606-W612 HydrophobicContact CD1-CZ3 4.48Å; Y606-W612 WeakPolarHBondContact O-CZ3 3.11Å; P609-W612 WeakPolarHBondContact O-CB 3.36Å; P609-W612 PolarHBondContact O-N 3.11Å; W612-K614 VanDerWaalsContact C-N 3.27Å; W612-K614 PolarHBondContact O-N 2.96Å; W612-L615 HydrophobicContact CE3-CD1 4.44Å; W612-L615 PolarHBondContact O-N 3.34Å; W612-L616 WeakPolarHBondContact O-CB 3.27Å; W612-L616 WeakPolarHBondContact O-CG 3.42Å; W612-L616 PolarHBondContact O-N 3.32Å
613	P	79.6	Confident	76.4	Confident	89 Å²	89	62.7 Å²	62.7	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-57.6	-39.9	176.9	-26.9	36.2	0	0	0	112.8	P609 Y617	P609-P613 WeakPolarHBondContact O-CD 3.25Å; P613-Y617 VanDerWaalsContact O-CB 3.26Å; P613-Y617 WeakPolarHBondContact O-CB 3.45Å; P613-Y617 PolarHBondContact O-N 2.98Å
614	K	75.6	Confident	75.3	Confident	106 Å²	106	68.9 Å²	68.9	46%	0.461	34%	0.343	S	S	.	.	H	α-helix	trans	-70.1	-43.7	176.5	-69.5	-174.9	177.5	-177.4	0	111.9	L611 W612 Y617 N618 N763	L611-K614 PolarHBondContact O-N 3.09Å; L611-K614 VanDerWaalsContact O-N 3.11Å; W612-K614 VanDerWaalsContact C-N 3.27Å; W612-K614 PolarHBondContact O-N 2.96Å; K614-Y617 PolarHBondContact O-N 3.42Å; K614-N618 WeakPolarHBondContact O-CB 3.02Å; K614-N618 VanDerWaalsContact O-CG 3.23Å; K614-N618 PolarHBondContact O-N 2.94Å; K614-N618 PolarHBondContact O-ND2 2.95Å; K614-N763 PolarHBondContact NZ-ND2 3.04Å
615	L	75.8	Confident	74.5	Confident	14 Å²	14	74.2 Å²	74.2	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-46	177.4	-68	170.1	0	0	0	111.1	P605 Y606 L611 W612 N618 V619 L636	P605-L615 HydrophobicContact CB-CD1 4.24Å; P605-L615 HydrophobicContact CB-CD2 4.46Å; Y606-L615 HydrophobicContact CD1-CD1 4.02Å; Y606-L615 HydrophobicContact CE1-CD1 4.27Å; L611-L615 HydrophobicContact CB-CD1 4.23Å; L611-L615 WeakPolarHBondContact O-CG 3.09Å; L611-L615 PolarHBondContact O-N 3.47Å; W612-L615 HydrophobicContact CE3-CD1 4.44Å; W612-L615 PolarHBondContact O-N 3.34Å; L615-N618 PolarHBondContact O-N 3.2Å; L615-V619 WeakPolarHBondContact O-CG2 3.47Å; L615-V619 PolarHBondContact O-N 2.85Å; L615-L636 HydrophobicContact CD2-CD2 4.07Å
616	L	76.3	Confident	73.1	Confident	92 Å²	92	82.8 Å²	82.8	48%	0.482	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-44.2	176.3	-73.3	179.4	0	0	0	112.3	W612 N618 V619 A620	W612-L616 WeakPolarHBondContact O-CB 3.27Å; W612-L616 WeakPolarHBondContact O-CG 3.42Å; W612-L616 PolarHBondContact O-N 3.32Å; L616-N618 VanDerWaalsContact C-N 3.29Å; L616-N618 PolarHBondContact O-N 2.94Å; L616-V619 PolarHBondContact O-N 2.96Å; L616-A620 WeakPolarHBondContact O-CB 3.04Å; L616-A620 PolarHBondContact O-N 3.47Å
617	Y	74.9	Confident	71.6	Confident	159 Å²	159	79.7 Å²	79.7	62%	0.624	40%	0.398	S	S	*	.	H	α-helix	trans	-56.3	-45.5	175.2	172.1	-97.5	0	0	0	111.3	P613 K614 A620 A621	P613-Y617 VanDerWaalsContact O-CB 3.26Å; P613-Y617 WeakPolarHBondContact O-CB 3.45Å; P613-Y617 PolarHBondContact O-N 2.98Å; K614-Y617 PolarHBondContact O-N 3.42Å; Y617-A620 PolarHBondContact O-N 3.25Å; Y617-A621 VanDerWaalsContact O-CB 3.25Å; Y617-A621 WeakPolarHBondContact O-CB 3.43Å; Y617-A621 PolarHBondContact O-N 2.97Å
618	N	67.8	Low	69.8	Low	27 Å²	27	86.3 Å²	86.3	14%	0.144	43%	0.425	C	S	.	.	H	α-helix	trans	-67	-39.1	179.7	-69.9	-27.7	0	0	0	112.6	K614 L615 L616 A621 N622 L636	K614-N618 WeakPolarHBondContact O-CB 3.02Å; K614-N618 VanDerWaalsContact O-CG 3.23Å; K614-N618 PolarHBondContact O-N 2.94Å; K614-N618 PolarHBondContact O-ND2 2.95Å; L615-N618 PolarHBondContact O-N 3.2Å; L616-N618 VanDerWaalsContact C-N 3.29Å; L616-N618 PolarHBondContact O-N 2.94Å; N618-A621 PolarHBondContact O-N 3.26Å; N618-N622 WeakPolarHBondContact O-CB 3.34Å; N618-N622 VanDerWaalsContact O-CG 3.25Å; N618-N622 PolarHBondContact O-N 3.06Å; N618-N622 PolarHBondContact O-ND2 2.99Å; N618-L636 HydrophobicContact CB-CD1 3.31Å; N618-L636 VanDerWaalsContact CG-CD1 3.47Å; N618-L636 WeakPolarHBondContact ND2-CD1 3.16Å
619	V	70.3	Confident	67.8	Low	78 Å²	78	95.6 Å²	95.6	47%	0.473	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-47.3	173.4	171.7	0	0	0	0	110.7	L615 L616 A621 N622 I623	L615-V619 WeakPolarHBondContact O-CG2 3.47Å; L615-V619 PolarHBondContact O-N 2.85Å; L616-V619 PolarHBondContact O-N 2.96Å; V619-A621 PolarHBondContact O-N 3.09Å; V619-N622 PolarHBondContact O-N 2.9Å; V619-I623 HydrophobicContact CG1-CD1 3.88Å; V619-I623 WeakPolarHBondContact O-CG1 3.22Å; V619-I623 PolarHBondContact O-N 3Å
620	A	68.9	Low	65.9	Low	43 Å²	43	101.9 Å²	101.9	36%	0.355	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-44	177.6	0	0	0	0	0	111.5	L616 Y617 N622 I623 L624	L616-A620 WeakPolarHBondContact O-CB 3.04Å; L616-A620 PolarHBondContact O-N 3.47Å; Y617-A620 PolarHBondContact O-N 3.25Å; A620-N622 VanDerWaalsContact C-N 3.33Å; A620-N622 PolarHBondContact O-N 2.76Å; A620-I623 PolarHBondContact O-N 3.46Å; A620-L624 VanDerWaalsContact O-CB 3.3Å; A620-L624 WeakPolarHBondContact O-CB 3.35Å; A620-L624 WeakPolarHBondContact O-CD1 3.46Å; A620-L624 VanDerWaalsContact O-CG 3.32Å; A620-L624 WeakPolarHBondContact O-CG 3.49Å; A620-L624 PolarHBondContact O-N 3Å
621	A	66.9	Low	63.7	Low	20 Å²	20	98.6 Å²	98.6	17%	0.165	49%	0.494	C	S	.	.	H	α-helix	trans	-61.2	-40.1	176.2	0	0	0	0	0	111.9	Y617 N618 V619 L624 F625	Y617-A621 VanDerWaalsContact O-CB 3.25Å; Y617-A621 WeakPolarHBondContact O-CB 3.43Å; Y617-A621 PolarHBondContact O-N 2.97Å; N618-A621 PolarHBondContact O-N 3.26Å; V619-A621 PolarHBondContact O-N 3.09Å; A621-L624 PolarHBondContact O-N 3.13Å; A621-F625 HydrophobicContact CB-CD2 4.21Å; A621-F625 VanDerWaalsContact O-CB 3.31Å; A621-F625 WeakPolarHBondContact O-CB 3.31Å; A621-F625 WeakPolarHBondContact O-CD2 3.35Å; A621-F625 PolarHBondContact O-N 3.15Å
622	N	61.5	Low	61.6	Low	80 Å²	80	104.5 Å²	104.5	43%	0.428	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-40.3	176.1	-76.8	-22.6	0	0	0	112.9	N618 V619 A620	N618-N622 WeakPolarHBondContact O-CB 3.34Å; N618-N622 VanDerWaalsContact O-CG 3.25Å; N618-N622 PolarHBondContact O-N 3.06Å; N618-N622 PolarHBondContact O-ND2 2.99Å; V619-N622 PolarHBondContact O-N 2.9Å; A620-N622 VanDerWaalsContact C-N 3.33Å; A620-N622 PolarHBondContact O-N 2.76Å
623	I	65.6	Low	59.6	Low	119 Å²	119	104.7 Å²	104.7	61%	0.61	54%	0.536	S	S	*	.	H	α-helix	trans	-68.5	-43.6	177.7	-66.6	168.5	0	0	0	110.5	V619 A620	V619-I623 HydrophobicContact CG1-CD1 3.88Å; V619-I623 WeakPolarHBondContact O-CG1 3.22Å; V619-I623 PolarHBondContact O-N 3Å; A620-I623 PolarHBondContact O-N 3.46Å
624	L	64.5	Low	57.6	Low	130 Å²	130	107.4 Å²	107.4	68%	0.681	55%	0.546	S	S	*	.	H	α-helix	trans	-77.2	-40.1	-175.4	-73	163	0	0	0	113.3	A620 A621	A620-L624 VanDerWaalsContact O-CB 3.3Å; A620-L624 WeakPolarHBondContact O-CB 3.35Å; A620-L624 WeakPolarHBondContact O-CD1 3.46Å; A620-L624 VanDerWaalsContact O-CG 3.32Å; A620-L624 WeakPolarHBondContact O-CG 3.49Å; A620-L624 PolarHBondContact O-N 3Å; A621-L624 PolarHBondContact O-N 3.13Å
625	F	66.9	Low	56	Low	159 Å²	159	108.8 Å²	108.8	70%	0.697	56%	0.559	S	S	*	*	H	α-helix	trans	-108.8	7	-166.1	-62.2	-70.9	0	0	0	115.8	A621	A621-F625 HydrophobicContact CB-CD2 4.21Å; A621-F625 VanDerWaalsContact O-CB 3.31Å; A621-F625 WeakPolarHBondContact O-CB 3.31Å; A621-F625 WeakPolarHBondContact O-CD2 3.35Å; A621-F625 PolarHBondContact O-N 3.15Å
626	K	51.7	Low	54.6	Low	185 Å²	185	110.4 Å²	110.4	80%	0.804	57%	0.567	S	S	*	*			trans	36.9	93.6	-179.9	-86.1	-171.9	176.8	178.7	0	112.6	K628	K626-K628 PolarHBondContact O-N 2.67Å
627	P	48	Very low	53	Low	66 Å²	66	106.9 Å²	106.9	43%	0.429	55%	0.549	S	S	.	.			trans	-54.7	135.5	-165.2	22.1	-32.9	0	0	0	112.7	K629	P627-K629 PolarHBondContact O-N 2.91Å
628	K	44.9	Very low	51.6	Low	178 Å²	178	102 Å²	102	77%	0.774	54%	0.539	S	S	*	.			trans	-56.8	134.2	160	-83.9	-176.1	175.7	180	0	107	K626 D630 S631	K626-K628 PolarHBondContact O-N 2.67Å; K628-D630 PolarHBondContact O-N 3.49Å; K628-S631 PolarHBondContact O-N 3.47Å; K628-S631 PolarHBondContact O-OG 2.89Å
629	K	43.2	Very low	50.7	Low	202 Å²	202	102.3 Å²	102.3	88%	0.878	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-23.6	-169.9	-130	176.2	180	-177.7	0	114.6	P627	P627-K629 PolarHBondContact O-N 2.91Å
630	D	38.2	Very low	49.7	Very low	148 Å²	148	101.5 Å²	101.5	79%	0.791	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	1.4	-174.5	-53.4	-28.3	0	0	0	114.6	K628	K628-D630 PolarHBondContact O-N 3.49Å
631	S	35.4	Very low	48.7	Very low	77 Å²	77	100.5 Å²	100.5	54%	0.538	53%	0.526	S	S	.	.			trans	-92.4	11.6	-177.1	72.3	0	0	0	0	114.7	K628 T633	K628-S631 PolarHBondContact O-N 3.47Å; K628-S631 PolarHBondContact O-OG 2.89Å; S631-T633 PolarHBondContact O-N 3.18Å
632	L	38.8	Very low	47.8	Very low	126 Å²	126	103.2 Å²	103.2	66%	0.66	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-1	-175.7	-117	153.8	0	0	0	114.3
633	T	36	Very low	47.6	Very low	101 Å²	101	101.3 Å²	101.3	62%	0.62	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-7.8	-165.5	51.1	0	0	0	0	118.4	S631	S631-T633 PolarHBondContact O-N 3.18Å
634	N	38.1	Very low	47	Very low	145 Å²	145	104.2 Å²	104.2	78%	0.775	54%	0.535	S	S	*	.	S	Bend	trans	-97.3	-16.3	-172	-74.8	10.3	0	0	0	116.5
635	N	42.4	Very low	46.9	Very low	136 Å²	136	101.6 Å²	101.6	73%	0.727	53%	0.527	S	S	*	.	S	Bend	trans	-132.8	-22.1	-174.3	-78.4	-27.8	0	0	0	116.8
636	L	45.9	Very low	47	Very low	47 Å²	47	96.1 Å²	96.1	25%	0.246	51%	0.507	C	S	.	.	S	Bend	trans	-100	116	152.5	-92.5	118.7	0	0	0	104.9	L615 N618 I639	L615-L636 HydrophobicContact CD2-CD2 4.07Å; N618-L636 HydrophobicContact CB-CD1 3.31Å; N618-L636 VanDerWaalsContact CG-CD1 3.47Å; N618-L636 WeakPolarHBondContact ND2-CD1 3.16Å; L636-I639 HydrophobicContact CD2-CD1 3.72Å
637	P	43.1	Very low	47.7	Very low	18 Å²	18	90.3 Å²	90.3	12%	0.117	48%	0.483	C	S	.	.			trans	-56	164.8	176.5	29.3	-39	0	0	0	109.9	I639 P761	P637-I639 WeakPolarHBondContact O-CG1 3.31Å; P637-I639 PolarHBondContact O-N 3.49Å; P637-P761 HydrophobicContact CB-CG 3.57Å; P637-P761 HydrophobicContact CG-CG 3.74Å
638	S	44.9	Very low	48.9	Very low	58 Å²	58	92.1 Å²	92.1	41%	0.406	49%	0.493	S	S	.	.			trans	-43.6	78.7	161.3	169	0	0	0	0	111.9	S640	S638-S640 PolarHBondContact O-N 3.24Å; S638-S640 VanDerWaalsContact O-N 3.16Å; S638-S640 WeakPolarHBondContact OG-CB 3.18Å; S638-S640 PolarHBondContact OG-OG 3.4Å
639	I	49.6	Very low	50.6	Low	33 Å²	33	88.2 Å²	88.2	17%	0.169	49%	0.485	C	S	.	.			trans	-76.1	33.4	147	-47.2	-179.8	0	0	0	106	L636 P637 F641 F642 S643	L636-I639 HydrophobicContact CD2-CD1 3.72Å; P637-I639 WeakPolarHBondContact O-CG1 3.31Å; P637-I639 PolarHBondContact O-N 3.49Å; I639-F641 PolarHBondContact O-N 3.5Å; I639-F642 HydrophobicContact CG2-CB 3.36Å; I639-F642 HydrophobicContact CG2-CD2 3.47Å; I639-F642 VanDerWaalsContact CG2-CD2 3.47Å; I639-F642 HydrophobicContact CG2-CG 3.82Å; I639-F642 CarbonylContact O-C 3.56Å; I639-F642 PolarHBondContact O-N 2.88Å; I639-F642 VanDerWaalsContact O-N 3.12Å; I639-S643 PolarHBondContact O-N 3.4Å
640	S	50	Low	52.7	Low	60 Å²	60	80.8 Å²	80.8	42%	0.42	45%	0.453	S	S	.	.			trans	-61.7	-37.4	176.9	65.9	0	0	0	0	108.8	S638 F642 S643 T646	S638-S640 PolarHBondContact O-N 3.24Å; S638-S640 VanDerWaalsContact O-N 3.16Å; S638-S640 WeakPolarHBondContact OG-CB 3.18Å; S638-S640 PolarHBondContact OG-OG 3.4Å; S640-F642 PolarHBondContact O-N 2.95Å; S640-S643 WeakPolarHBondContact O-CB 3.32Å; S640-S643 PolarHBondContact O-N 3.1Å; S640-S643 PolarHBondContact O-OG 2.95Å; S640-T646 WeakPolarHBondContact O-CB 3.4Å; S640-T646 PolarHBondContact O-OG1 3.05Å; S640-T646 VanDerWaalsContact O-OG1 3.09Å
641	F	47.8	Very low	55	Low	23 Å²	23	75 Å²	75	10%	0.101	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.3	172.8	-167	-102.9	0	0	0	113.5	I639 S643 T646 M647 M651 L757 L758	I639-F641 PolarHBondContact O-N 3.5Å; F641-S643 VanDerWaalsContact C-N 3.32Å; F641-T646 HydrophobicContact CD2-CG2 4.21Å; F641-M647 WeakPolarHBondContact O-CG 3.41Å; F641-M647 PolarHBondContact O-N 3.22Å; F641-M651 HydrophobicContact CD1-CE 3.71Å; F641-M651 HydrophobicContact CE1-CE 3.11Å; F641-M651 HydrophobicContact CZ-CE 3.63Å; F641-M651 HydrophobicContact CZ-CG 4.38Å; F641-L757 VanDerWaalsContact CB-O 3.3Å; F641-L757 WeakPolarHBondContact CB-O 3.32Å; F641-L757 HydrophobicContact CD2-CB 4.36Å; F641-L757 HydrophobicContact CE2-CD2 4.5Å; F641-L758 HydrophobicContact CB-CD2 4.29Å; F641-L758 HydrophobicContact CD1-CD2 3.73Å; F641-L758 HydrophobicContact CE1-CD2 4.36Å; F641-L758 HydrophobicContact CG-CD2 4.2Å
642	F	48	Very low	57.7	Low	77 Å²	77	73.6 Å²	73.6	34%	0.338	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.1	170.2	-44.8	-101.4	0	0	0	114.5	I639 S640 M647 L758 Y760	I639-F642 HydrophobicContact CG2-CB 3.36Å; I639-F642 HydrophobicContact CG2-CD2 3.47Å; I639-F642 VanDerWaalsContact CG2-CD2 3.47Å; I639-F642 HydrophobicContact CG2-CG 3.82Å; I639-F642 CarbonylContact O-C 3.56Å; I639-F642 PolarHBondContact O-N 2.88Å; I639-F642 VanDerWaalsContact O-N 3.12Å; S640-F642 PolarHBondContact O-N 2.95Å; F642-M647 VanDerWaalsContact CA-CG 3.44Å; F642-M647 VanDerWaalsContact CA-SD 3.57Å; F642-M647 HydrophobicContact CB-CG 4.24Å; F642-M647 HydrophobicContact CB-SD 3.72Å; F642-M647 HydrophobicContact CD1-CE 3.99Å; F642-M647 HydrophobicContact CD1-SD 3.93Å; F642-M647 HydrophobicContact CG-SD 4.31Å; F642-L758 HydrophobicContact CE2-CD2 3.94Å; F642-L758 HydrophobicContact CZ-CD2 4.39Å; F642-Y760 WeakPolarHBondContact CE2-OH 3.35Å
643	S	57.3	Low	60.3	Low	39 Å²	39	68.6 Å²	68.6	27%	0.273	39%	0.392	S	S	.	.	S	Bend	trans	-63.4	141.3	167.1	79.3	0	0	0	0	107.9	I639 S640 F641 S645 T646 M647	I639-S643 PolarHBondContact O-N 3.4Å; S640-S643 WeakPolarHBondContact O-CB 3.32Å; S640-S643 PolarHBondContact O-N 3.1Å; S640-S643 PolarHBondContact O-OG 2.95Å; F641-S643 VanDerWaalsContact C-N 3.32Å; S643-S645 PolarHBondContact O-N 3.08Å; S643-S645 VanDerWaalsContact O-N 3.1Å; S643-S645 PolarHBondContact OG-OG 2.83Å; S643-T646 PolarHBondContact O-N 2.98Å; S643-T646 VanDerWaalsContact O-N 3.15Å; S643-T646 WeakPolarHBondContact OG-CB 3.48Å; S643-T646 PolarHBondContact OG-N 2.81Å; S643-T646 PolarHBondContact OG-OG1 3.21Å; S643-M647 WeakPolarHBondContact O-CG 3.03Å; S643-M647 PolarHBondContact O-N 2.88Å
644	K	52.9	Low	63.1	Low	181 Å²	181	65.9 Å²	65.9	79%	0.787	37%	0.373	S	S	*	.	H	α-helix	trans	-52.6	-39.2	-176.7	-170.7	177.7	179.4	-178.1	0	111.5	T648	K644-T648 WeakPolarHBondContact O-CB 3.4Å; K644-T648 WeakPolarHBondContact O-CG2 3.37Å; K644-T648 PolarHBondContact O-N 3.4Å; K644-T648 VanDerWaalsContact O-N 3.13Å; K644-T648 PolarHBondContact O-OG1 3.36Å
645	S	62.3	Low	65.8	Low	75 Å²	75	65.1 Å²	65.1	52%	0.524	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-52.1	177.9	47.5	0	0	0	0	112.8	S643 M647 T648 T649	S643-S645 PolarHBondContact O-N 3.08Å; S643-S645 VanDerWaalsContact O-N 3.1Å; S643-S645 PolarHBondContact OG-OG 2.83Å; S645-M647 PolarHBondContact O-N 3.27Å; S645-T648 PolarHBondContact O-N 3.13Å; S645-T648 PolarHBondContact O-OG1 3.45Å; S645-T649 WeakPolarHBondContact O-CB 3.3Å; S645-T649 PolarHBondContact O-N 3.01Å; S645-T649 PolarHBondContact O-OG1 3.44Å
646	T	68.8	Low	68.4	Low	43 Å²	43	61.5 Å²	61.5	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-68.2	-38.8	-177.7	-53	0	0	0	0	111.4	S640 F641 S643 T648 T649 E650	S640-T646 WeakPolarHBondContact O-CB 3.4Å; S640-T646 PolarHBondContact O-OG1 3.05Å; S640-T646 VanDerWaalsContact O-OG1 3.09Å; F641-T646 HydrophobicContact CD2-CG2 4.21Å; S643-T646 PolarHBondContact O-N 2.98Å; S643-T646 VanDerWaalsContact O-N 3.15Å; S643-T646 WeakPolarHBondContact OG-CB 3.48Å; S643-T646 PolarHBondContact OG-N 2.81Å; S643-T646 PolarHBondContact OG-OG1 3.21Å; T646-T648 PolarHBondContact O-N 2.71Å; T646-T649 PolarHBondContact O-N 3.22Å; T646-E650 HydrophobicContact CG2-CB 4.46Å; T646-E650 HydrophobicContact CG2-CG 4.03Å; T646-E650 WeakPolarHBondContact O-CB 3.4Å; T646-E650 PolarHBondContact O-N 3.2Å
647	M	66.1	Low	70.8	Confident	63 Å²	63	59.2 Å²	59.2	31%	0.31	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-48.6	173.8	-71.1	-170.1	76.9	0	0	111.5	F641 F642 S643 S645 T649 M651	F641-M647 WeakPolarHBondContact O-CG 3.41Å; F641-M647 PolarHBondContact O-N 3.22Å; F642-M647 VanDerWaalsContact CA-CG 3.44Å; F642-M647 VanDerWaalsContact CA-SD 3.57Å; F642-M647 HydrophobicContact CB-CG 4.24Å; F642-M647 HydrophobicContact CB-SD 3.72Å; F642-M647 HydrophobicContact CD1-CE 3.99Å; F642-M647 HydrophobicContact CD1-SD 3.93Å; F642-M647 HydrophobicContact CG-SD 4.31Å; S643-M647 WeakPolarHBondContact O-CG 3.03Å; S643-M647 PolarHBondContact O-N 2.88Å; S645-M647 PolarHBondContact O-N 3.27Å; M647-T649 VanDerWaalsContact C-N 3.32Å; M647-T649 PolarHBondContact O-N 2.99Å; M647-M651 HydrophobicContact CB-CE 4.29Å; M647-M651 HydrophobicContact CB-SD 3.8Å; M647-M651 HydrophobicContact CE-CE 3.66Å; M647-M651 HydrophobicContact CE-SD 3.45Å; M647-M651 WeakPolarHBondContact CE-SD 3.19Å; M647-M651 HydrophobicContact CG-CE 3.79Å; M647-M651 HydrophobicContact CG-SD 3.9Å; M647-M651 WeakPolarHBondContact O-CB 3.17Å; M647-M651 WeakPolarHBondContact O-CG 3.34Å; M647-M651 PolarHBondContact O-N 2.94Å; M647-M651 HydrophobicContact SD-CE 4.48Å
648	T	74	Confident	73.4	Confident	104 Å²	104	59 Å²	59	64%	0.638	33%	0.332	S	S	*	.	H	α-helix	trans	-69.4	-32.9	-176.3	54.2	0	0	0	0	112.4	K644 S645 T646	K644-T648 WeakPolarHBondContact O-CB 3.4Å; K644-T648 WeakPolarHBondContact O-CG2 3.37Å; K644-T648 PolarHBondContact O-N 3.4Å; K644-T648 VanDerWaalsContact O-N 3.13Å; K644-T648 PolarHBondContact O-OG1 3.36Å; S645-T648 PolarHBondContact O-N 3.13Å; S645-T648 PolarHBondContact O-OG1 3.45Å; T646-T648 PolarHBondContact O-N 2.71Å
649	T	80.7	Confident	75.9	Confident	97 Å²	97	58.5 Å²	58.5	60%	0.595	33%	0.326	S	S	*	.	H	α-helix	trans	-80.3	-46.1	-178.8	-57.9	0	0	0	0	111.8	S645 T646 M647	S645-T649 WeakPolarHBondContact O-CB 3.3Å; S645-T649 PolarHBondContact O-N 3.01Å; S645-T649 PolarHBondContact O-OG1 3.44Å; T646-T649 PolarHBondContact O-N 3.22Å; M647-T649 VanDerWaalsContact C-N 3.32Å; M647-T649 PolarHBondContact O-N 2.99Å
650	E	85.8	Confident	78.1	Confident	46 Å²	46	62.5 Å²	62.5	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-94.5	-15.9	-169	-65.2	-58	145.6	0	0	114.6	T646 G652 Y653 K682	T646-E650 HydrophobicContact CG2-CB 4.46Å; T646-E650 HydrophobicContact CG2-CG 4.03Å; T646-E650 WeakPolarHBondContact O-CB 3.4Å; T646-E650 PolarHBondContact O-N 3.2Å; E650-G652 PolarHBondContact O-N 3.08Å; E650-Y653 WeakPolarHBondContact O-CD1 3.13Å; E650-Y653 VanDerWaalsContact O-CE1 3.22Å; E650-Y653 WeakPolarHBondContact O-CE1 3.42Å; E650-K682 IonicContact OE2-NZ 3.82Å
651	M	87.6	Confident	80.4	Confident	25 Å²	25	60.1 Å²	60.1	12%	0.123	33%	0.326	C	S	.	.			trans	-89.4	4.3	-174	-63.7	-176.3	164.4	0	0	115.3	F641 M647 Y653 M654 H655	F641-M651 HydrophobicContact CD1-CE 3.71Å; F641-M651 HydrophobicContact CE1-CE 3.11Å; F641-M651 HydrophobicContact CZ-CE 3.63Å; F641-M651 HydrophobicContact CZ-CG 4.38Å; M647-M651 HydrophobicContact CB-CE 4.29Å; M647-M651 HydrophobicContact CB-SD 3.8Å; M647-M651 HydrophobicContact CE-CE 3.66Å; M647-M651 HydrophobicContact CE-SD 3.45Å; M647-M651 WeakPolarHBondContact CE-SD 3.19Å; M647-M651 HydrophobicContact CG-CE 3.79Å; M647-M651 HydrophobicContact CG-SD 3.9Å; M647-M651 WeakPolarHBondContact O-CB 3.17Å; M647-M651 WeakPolarHBondContact O-CG 3.34Å; M647-M651 PolarHBondContact O-N 2.94Å; M647-M651 HydrophobicContact SD-CE 4.48Å; M651-Y653 VanDerWaalsContact C-N 3.32Å; M651-Y653 PolarHBondContact O-N 2.76Å; M651-M654 HydrophobicContact CB-CE 4.07Å; M651-M654 HydrophobicContact CE-CE 4.16Å; M651-M654 HydrophobicContact CG-CE 3.95Å; M651-M654 PolarHBondContact O-N 3.18Å; M651-M654 VanDerWaalsContact O-N 3.12Å; M651-M654 HydrophobicContact SD-CE 3.66Å; M651-H655 PolarHBondContact O-N 2.83Å
652	G	91.3	Very high	82.7	Confident	49 Å²	49	62.1 Å²	62.1	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-55.7	-45.1	-179.5	0	0	0	0	0	112.9	E650 M654 H655 I656	E650-G652 PolarHBondContact O-N 3.08Å; G652-M654 PolarHBondContact O-N 3.12Å; G652-H655 PolarHBondContact O-N 3.07Å; G652-I656 WeakPolarHBondContact O-CG2 3.37Å; G652-I656 PolarHBondContact O-N 2.77Å; G652-I656 VanDerWaalsContact O-N 3.16Å
653	Y	94.2	Very high	85	Confident	21 Å²	21	62.2 Å²	62.2	8%	0.082	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-45.2	176.1	84.3	-80.9	0	0	0	111.4	W496 E650 M651 H655 I656 Q657 Y678 W686 Y727	W496-Y653 AromaticContact CE3-CD2 3.98Å; W496-Y653 HydrophobicContact CE3-CD2 3.98Å; W496-Y653 AromaticContact CE3-CE2 3.76Å; W496-Y653 HydrophobicContact CE3-CE2 3.76Å; W496-Y653 AromaticContact CH2-CD2 3.66Å; W496-Y653 HydrophobicContact CH2-CD2 3.66Å; W496-Y653 HydrophobicContact CH2-CE2 4.26Å; W496-Y653 HydrophobicContact CH2-CG 4.28Å; W496-Y653 AromaticContact CZ3-CD2 3.25Å; W496-Y653 HydrophobicContact CZ3-CD2 3.25Å; W496-Y653 AromaticContact CZ3-CE2 3.39Å; W496-Y653 HydrophobicContact CZ3-CE2 3.39Å; W496-Y653 HydrophobicContact CZ3-CG 4.09Å; E650-Y653 WeakPolarHBondContact O-CD1 3.13Å; E650-Y653 VanDerWaalsContact O-CE1 3.22Å; E650-Y653 WeakPolarHBondContact O-CE1 3.42Å; M651-Y653 VanDerWaalsContact C-N 3.32Å; M651-Y653 PolarHBondContact O-N 2.76Å; Y653-H655 PolarHBondContact O-N 3.44Å; Y653-I656 WeakPolarHBondContact O-CG2 3.29Å; Y653-I656 PolarHBondContact O-N 2.71Å; Y653-Q657 WeakPolarHBondContact O-CB 3.5Å; Y653-Q657 WeakPolarHBondContact O-CG 3.29Å; Y653-Q657 PolarHBondContact O-N 2.92Å; Y653-Y678 WeakPolarHBondContact CB-OH 2.97Å; Y653-W686 HydrophobicContact CD1-CZ2 4.13Å; Y653-W686 HydrophobicContact CE1-CH2 4.05Å; Y653-W686 AromaticContact CE1-CZ2 3.41Å; Y653-W686 HydrophobicContact CE1-CZ2 3.41Å; Y653-W686 VanDerWaalsContact CE1-CZ2 3.41Å; Y653-W686 AromaticContact CE2-CH2 3.78Å; Y653-W686 HydrophobicContact CE2-CH2 3.78Å; Y653-W686 HydrophobicContact CE2-CZ2 4Å; Y653-W686 AromaticContact CZ-CH2 3.46Å; Y653-W686 VanDerWaalsContact CZ-CH2 3.46Å; Y653-W686 AromaticContact CZ-CZ2 3.31Å; Y653-W686 VanDerWaalsContact OH-CH2 3.32Å; Y653-W686 WeakPolarHBondContact OH-CH2 3.38Å; Y653-W686 WeakPolarHBondContact OH-CZ2 3.19Å; Y653-Y727 AromaticContact CE2-CE1 3.89Å; Y653-Y727 HydrophobicContact CE2-CE1 3.89Å; Y653-Y727 AromaticContact CE2-CZ 3.84Å
654	M	94.5	Very high	86.8	Confident	43 Å²	43	62.2 Å²	62.2	21%	0.212	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-43.5	-177.6	-175.3	-179.1	67.2	0	0	110.5	M651 G652 Q657 A658 Y727 F731	M651-M654 HydrophobicContact CB-CE 4.07Å; M651-M654 HydrophobicContact CE-CE 4.16Å; M651-M654 HydrophobicContact CG-CE 3.95Å; M651-M654 PolarHBondContact O-N 3.18Å; M651-M654 VanDerWaalsContact O-N 3.12Å; M651-M654 HydrophobicContact SD-CE 3.66Å; G652-M654 PolarHBondContact O-N 3.12Å; M654-Q657 PolarHBondContact O-N 3.42Å; M654-A658 WeakPolarHBondContact O-CB 3.45Å; M654-A658 PolarHBondContact O-N 3.05Å; M654-Y727 HydrophobicContact CB-CD1 4.43Å; M654-Y727 HydrophobicContact CB-CE1 4.4Å; M654-Y727 HydrophobicContact CG-CD1 3.69Å; M654-Y727 HydrophobicContact CG-CE1 3.9Å; M654-F731 HydrophobicContact CE-CZ 4.43Å; M654-F731 HydrophobicContact CG-CE2 4.16Å; M654-F731 HydrophobicContact CG-CZ 4.46Å; M654-F731 HydrophobicContact SD-CE2 4.27Å; M654-F731 HydrophobicContact SD-CZ 4.01Å
655	H	95	Very high	88.9	Confident	129 Å²	129	53.6 Å²	53.6	60%	0.597	31%	0.307	S	S	*	.	H	α-helix	trans	-65.4	-44.2	-179.5	-177.1	-113.1	0	0	0	112.2	M651 G652 Y653 A658 T659	M651-H655 PolarHBondContact O-N 2.83Å; G652-H655 PolarHBondContact O-N 3.07Å; Y653-H655 PolarHBondContact O-N 3.44Å; H655-A658 PolarHBondContact O-N 3.3Å; H655-T659 WeakPolarHBondContact O-CB 3.31Å; H655-T659 WeakPolarHBondContact O-CG2 3.45Å; H655-T659 PolarHBondContact O-N 3.36Å; H655-T659 PolarHBondContact O-OG1 3.42Å
656	I	96.2	Very high	90.5	Very high	60 Å²	60	55 Å²	55	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-39.6	177.9	-168.7	65.2	0	0	0	111.5	G652 Y653 T659 K660 I664	G652-I656 WeakPolarHBondContact O-CG2 3.37Å; G652-I656 PolarHBondContact O-N 2.77Å; G652-I656 VanDerWaalsContact O-N 3.16Å; Y653-I656 WeakPolarHBondContact O-CG2 3.29Å; Y653-I656 PolarHBondContact O-N 2.71Å; I656-T659 PolarHBondContact O-N 2.91Å; I656-T659 PolarHBondContact O-OG1 3.21Å; I656-K660 HydrophobicContact CD1-CB 4.04Å; I656-K660 CarbonylContact O-C 3.6Å; I656-K660 VanDerWaalsContact O-C 3.31Å; I656-K660 WeakPolarHBondContact O-CA 3.33Å; I656-K660 PolarHBondContact O-N 3.5Å; I656-I664 HydrophobicContact CG1-CB 4.06Å; I656-I664 HydrophobicContact CG1-CG2 4.02Å; I656-I664 HydrophobicContact CG2-CG2 4.31Å
657	Q	97.4	Very high	91.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.8	-35.1	177.6	-65.8	179.6	32.4	0	0	112.5	Y653 M654 T659 P661 Y678 M724 Y727	Y653-Q657 WeakPolarHBondContact O-CB 3.5Å; Y653-Q657 WeakPolarHBondContact O-CG 3.29Å; Y653-Q657 PolarHBondContact O-N 2.92Å; M654-Q657 PolarHBondContact O-N 3.42Å; Q657-T659 PolarHBondContact O-N 2.93Å; Q657-P661 WeakPolarHBondContact O-CB 3.46Å; Q657-P661 VanDerWaalsContact O-CD 3.31Å; Q657-P661 WeakPolarHBondContact O-CD 3.48Å; Q657-Y678 PolarHBondContact NE2-OH 3.18Å; Q657-Y678 VanDerWaalsContact NE2-OH 3.1Å; Q657-M724 HydrophobicContact CB-CB 4.13Å; Q657-M724 HydrophobicContact CB-CG 4.49Å; Q657-M724 HydrophobicContact CG-CB 3.84Å; Q657-M724 HydrophobicContact CG-CE 4.47Å; Q657-M724 HydrophobicContact CG-CG 3.68Å; Q657-M724 HydrophobicContact CG-SD 4Å; Q657-Y727 HydrophobicContact CB-CD2 3.79Å; Q657-Y727 HydrophobicContact CB-CG 3.82Å
658	A	96.2	Very high	93	Very high	12 Å²	12	53.6 Å²	53.6	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-16.3	175.4	0	0	0	0	0	113.7	M654 H655 K728 F731	M654-A658 WeakPolarHBondContact O-CB 3.45Å; M654-A658 PolarHBondContact O-N 3.05Å; H655-A658 PolarHBondContact O-N 3.3Å; A658-K728 WeakPolarHBondContact O-CD 3.49Å; A658-F731 HydrophobicContact CB-CD2 3.43Å; A658-F731 VanDerWaalsContact CB-CD2 3.43Å; A658-F731 HydrophobicContact CB-CE2 3.88Å; A658-F731 HydrophobicContact CB-CG 4.3Å
659	T	97.3	Very high	94	Very high	48 Å²	48	51.3 Å²	51.3	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-120.9	-39.3	-171.7	57.9	0	0	0	0	114.1	H655 I656 Q657	H655-T659 WeakPolarHBondContact O-CB 3.31Å; H655-T659 WeakPolarHBondContact O-CG2 3.45Å; H655-T659 PolarHBondContact O-N 3.36Å; H655-T659 PolarHBondContact O-OG1 3.42Å; I656-T659 PolarHBondContact O-N 2.91Å; I656-T659 PolarHBondContact O-OG1 3.21Å; Q657-T659 PolarHBondContact O-N 2.93Å
660	K	97.4	Very high	94.7	Very high	118 Å²	118	51.7 Å²	51.7	51%	0.513	29%	0.289	S	S	.	.			trans	-144.5	56.4	-174.5	-62.6	-71.4	169.6	-84.5	0	111.6	I656 D662 S663 I664	I656-K660 HydrophobicContact CD1-CB 4.04Å; I656-K660 CarbonylContact O-C 3.6Å; I656-K660 VanDerWaalsContact O-C 3.31Å; I656-K660 WeakPolarHBondContact O-CA 3.33Å; I656-K660 PolarHBondContact O-N 3.5Å; K660-D662 VanDerWaalsContact C-N 3.33Å; K660-D662 PolarHBondContact O-N 3.29Å; K660-S663 PolarHBondContact O-N 2.77Å; K660-I664 PolarHBondContact O-N 2.54Å
661	P	97.5	Very high	95.2	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-38.8	-176	25.3	-33.8	0	0	0	113	Q657 S663 I664 G665 M724 R725 K728	Q657-P661 WeakPolarHBondContact O-CB 3.46Å; Q657-P661 VanDerWaalsContact O-CD 3.31Å; Q657-P661 WeakPolarHBondContact O-CD 3.48Å; P661-S663 PolarHBondContact O-N 3.04Å; P661-I664 WeakPolarHBondContact O-CG2 3.34Å; P661-G665 WeakPolarHBondContact O-CA 3.23Å; P661-G665 PolarHBondContact O-N 3.44Å; P661-M724 HydrophobicContact CB-CB 3.6Å; P661-R725 HydrophobicContact CB-CG 4.23Å; P661-R725 HydrophobicContact CG-CG 3.96Å; P661-K728 HydrophobicContact CG-CB 4Å; P661-K728 HydrophobicContact CG-CG 4.47Å
662	D	96.3	Very high	95.6	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-34.6	-179.9	-64.5	-37.1	0	0	0	112.3	K660 G665 I666 R725	K660-D662 VanDerWaalsContact C-N 3.33Å; K660-D662 PolarHBondContact O-N 3.29Å; D662-G665 PolarHBondContact O-N 3.16Å; D662-I666 WeakPolarHBondContact O-CB 3.49Å; D662-I666 WeakPolarHBondContact O-CD1 3.49Å; D662-I666 WeakPolarHBondContact O-CG1 3.18Å; D662-I666 PolarHBondContact O-N 3.04Å; D662-R725 IonicContact OD1-CZ 3.62Å; D662-R725 VanDerWaalsContact OD1-CZ 3.28Å; D662-R725 IonicContact OD1-NE 2.73Å; D662-R725 PolarHBondContact OD1-NE 3.29Å; D662-R725 IonicContact OD1-NH2 2.76Å; D662-R725 PolarHBondContact OD1-NH2 3.36Å; D662-R725 IonicContact OD2-NE 3.69Å; D662-R725 IonicContact OD2-NH2 3.98Å
663	S	96.2	Very high	95.9	Very high	79 Å²	79	48.9 Å²	48.9	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-65	-48.2	-178.9	-56.5	0	0	0	0	111.9	K660 P661	K660-S663 PolarHBondContact O-N 2.77Å; P661-S663 PolarHBondContact O-N 3.04Å
664	I	96	Very high	96	Very high	38 Å²	38	49 Å²	49	20%	0.195	28%	0.275	C	S	.	.	H	α-helix	trans	-74.1	-37	175.7	-174	61	0	0	0	111.2	I656 K660 P661 I666 A667 M668 Y678 M724	I656-I664 HydrophobicContact CG1-CB 4.06Å; I656-I664 HydrophobicContact CG1-CG2 4.02Å; I656-I664 HydrophobicContact CG2-CG2 4.31Å; K660-I664 PolarHBondContact O-N 2.54Å; P661-I664 WeakPolarHBondContact O-CG2 3.34Å; I664-I666 PolarHBondContact O-N 3.03Å; I664-A667 WeakPolarHBondContact O-CB 3.29Å; I664-A667 PolarHBondContact O-N 3.36Å; I664-M668 HydrophobicContact CD1-CE 3.53Å; I664-M668 HydrophobicContact CG1-CE 4.08Å; I664-M668 WeakPolarHBondContact O-CG 3.33Å; I664-M668 PolarHBondContact O-N 3.34Å; I664-Y678 HydrophobicContact CG1-CE2 4.28Å; I664-M724 HydrophobicContact CG2-SD 3.71Å
665	G	96.1	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-41.3	179.5	0	0	0	0	0	113.3	P661 D662 A667 M668 I669	P661-G665 WeakPolarHBondContact O-CA 3.23Å; P661-G665 PolarHBondContact O-N 3.44Å; D662-G665 PolarHBondContact O-N 3.16Å; G665-A667 VanDerWaalsContact C-N 3.32Å; G665-A667 PolarHBondContact O-N 2.93Å; G665-M668 PolarHBondContact O-N 2.91Å; G665-I669 PolarHBondContact O-N 2.94Å; G665-I669 VanDerWaalsContact O-N 3.13Å
666	I	95	Very high	96.2	Very high	104 Å²	104	40.9 Å²	40.9	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-40.1	177.3	-70.9	163.5	0	0	0	111.2	D662 I664 M668 I669 D670	D662-I666 WeakPolarHBondContact O-CB 3.49Å; D662-I666 WeakPolarHBondContact O-CD1 3.49Å; D662-I666 WeakPolarHBondContact O-CG1 3.18Å; D662-I666 PolarHBondContact O-N 3.04Å; I664-I666 PolarHBondContact O-N 3.03Å; I666-M668 VanDerWaalsContact C-N 3.26Å; I666-M668 PolarHBondContact O-N 2.87Å; I666-I669 WeakPolarHBondContact O-CG1 3.21Å; I666-I669 PolarHBondContact O-N 3.06Å; I666-D670 PolarHBondContact O-N 3.21Å
667	A	94.5	Very high	96.2	Very high	56 Å²	56	39.2 Å²	39.2	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-35.2	177.1	0	0	0	0	0	112.2	I664 G665 S671	I664-A667 WeakPolarHBondContact O-CB 3.29Å; I664-A667 PolarHBondContact O-N 3.36Å; G665-A667 VanDerWaalsContact C-N 3.32Å; G665-A667 PolarHBondContact O-N 2.93Å; A667-S671 PolarHBondContact O-N 3.37Å
668	M	94	Very high	96.1	Very high	21 Å²	21	41.1 Å²	41.1	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-77.5	-32	-178.4	-61.6	-61.1	162.7	0	0	113.4	I664 G665 I666 D670 G674 L675 Y678 T720	I664-M668 HydrophobicContact CD1-CE 3.53Å; I664-M668 HydrophobicContact CG1-CE 4.08Å; I664-M668 WeakPolarHBondContact O-CG 3.33Å; I664-M668 PolarHBondContact O-N 3.34Å; G665-M668 PolarHBondContact O-N 2.91Å; I666-M668 VanDerWaalsContact C-N 3.26Å; I666-M668 PolarHBondContact O-N 2.87Å; M668-D670 PolarHBondContact O-N 3.4Å; M668-G674 VanDerWaalsContact SD-C 3.52Å; M668-G674 VanDerWaalsContact SD-O 3.41Å; M668-L675 HydrophobicContact CB-CB 4.45Å; M668-L675 HydrophobicContact CB-CD1 4.11Å; M668-Y678 HydrophobicContact CE-CD2 3.36Å; M668-Y678 HydrophobicContact CE-CE2 3.98Å; M668-Y678 HydrophobicContact CE-CG 3.7Å; M668-Y678 HydrophobicContact SD-CD2 4.35Å; M668-Y678 HydrophobicContact SD-CG 4.09Å; M668-T720 HydrophobicContact CB-CG2 3.68Å; M668-T720 HydrophobicContact CG-CG2 4.18Å
669	I	95	Very high	96.2	Very high	57 Å²	57	40.6 Å²	40.6	29%	0.292	24%	0.235	S	C	.	.	H	α-helix	trans	-74.8	-14.9	175.8	62.6	172.3	0	0	0	113	G665 I666 W715 K718 P721	G665-I669 PolarHBondContact O-N 2.94Å; G665-I669 VanDerWaalsContact O-N 3.13Å; I666-I669 WeakPolarHBondContact O-CG1 3.21Å; I666-I669 PolarHBondContact O-N 3.06Å; I669-W715 WeakPolarHBondContact O-CH2 3.06Å; I669-W715 VanDerWaalsContact O-CZ3 3.22Å; I669-W715 WeakPolarHBondContact O-CZ3 3.44Å; I669-K718 HydrophobicContact CG2-CB 4.35Å; I669-P721 HydrophobicContact CD1-CG 4.45Å; I669-P721 HydrophobicContact CG2-CG 4.08Å
670	D	94.9	Very high	96.2	Very high	105 Å²	105	38.3 Å²	38.3	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-89.6	-26	176.4	-167.9	48.2	0	0	0	112.5	R413 I666 M668	R413-D670 IonicContact CZ-OD1 2.78Å; R413-D670 PolarHBondContact NH1-O 3.38Å; R413-D670 IonicContact NH1-OD1 3.3Å; R413-D670 PolarHBondContact NH1-OD1 2.94Å; I666-D670 PolarHBondContact O-N 3.21Å; M668-D670 PolarHBondContact O-N 3.4Å
671	S	96	Very high	96	Very high	45 Å²	45	34.5 Å²	34.5	32%	0.315	21%	0.205	S	C	.	.			trans	-122.6	108.4	-177.4	-178.8	0	0	0	0	112.4	A667 M673 G674 L675	A667-S671 PolarHBondContact O-N 3.37Å; S671-M673 VanDerWaalsContact C-N 3.31Å; S671-M673 PolarHBondContact O-N 2.6Å; S671-G674 PolarHBondContact O-N 3.49Å; S671-G674 PolarHBondContact OG-N 3.1Å; S671-L675 PolarHBondContact O-N 2.99Å
672	P	97.2	Very high	95.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-34.4	178.8	25.8	-32.6	0	0	0	112	L410 R413 L414 W444 L675 A676 W715	L410-P672 HydrophobicContact CD1-CB 3.57Å; L410-P672 HydrophobicContact CD1-CG 3.89Å; R413-P672 HydrophobicContact CB-CG 3.82Å; L414-P672 HydrophobicContact CD2-CB 4.14Å; L414-P672 HydrophobicContact CD2-CG 3.97Å; L414-P672 HydrophobicContact CG-CG 4.29Å; W444-P672 HydrophobicContact CH2-CB 4.12Å; P672-L675 PolarHBondContact O-N 3.45Å; P672-A676 WeakPolarHBondContact O-CB 3.3Å; P672-A676 PolarHBondContact O-N 3.06Å; P672-W715 HydrophobicContact CB-CD2 4.06Å; P672-W715 HydrophobicContact CB-CE3 3.8Å; P672-W715 HydrophobicContact CB-CH2 4.11Å; P672-W715 HydrophobicContact CB-CZ2 4.33Å; P672-W715 HydrophobicContact CB-CZ3 3.83Å; P672-W715 HydrophobicContact CG-CH2 4.13Å; P672-W715 HydrophobicContact CG-CZ2 4.4Å; P672-W715 HydrophobicContact CG-CZ3 4.26Å
673	M	96.8	Very high	95.9	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-72.1	-34.6	174.2	-71.3	-53	-55.8	0	0	112.4	L414 S417 I419 L437 R441 W444 S671 A676 A677	L414-M673 HydrophobicContact CD2-CG 3.92Å; L414-M673 HydrophobicContact CD2-SD 3.62Å; S417-M673 WeakPolarHBondContact OG-CG 3.05Å; I419-M673 HydrophobicContact CD1-CE 4.22Å; L437-M673 HydrophobicContact CB-CE 3.95Å; L437-M673 HydrophobicContact CD2-CE 4.12Å; L437-M673 WeakPolarHBondContact O-CE 3.38Å; R441-M673 HydrophobicContact CB-CE 3.95Å; R441-M673 HydrophobicContact CB-SD 3.81Å; R441-M673 HydrophobicContact CG-SD 4.11Å; W444-M673 HydrophobicContact CE3-SD 4.34Å; W444-M673 HydrophobicContact CZ3-SD 4.41Å; S671-M673 VanDerWaalsContact C-N 3.31Å; S671-M673 PolarHBondContact O-N 2.6Å; M673-A676 PolarHBondContact O-N 3.35Å; M673-A677 WeakPolarHBondContact O-CB 3.07Å; M673-A677 PolarHBondContact O-N 3.34Å
674	G	95.6	Very high	95.8	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-46.1	170.9	0	0	0	0	0	111.5	M668 S671 A677 Y678	M668-G674 VanDerWaalsContact SD-C 3.52Å; M668-G674 VanDerWaalsContact SD-O 3.41Å; S671-G674 PolarHBondContact O-N 3.49Å; S671-G674 PolarHBondContact OG-N 3.1Å; G674-A677 PolarHBondContact O-N 3.48Å; G674-Y678 WeakPolarHBondContact O-CB 3.39Å; G674-Y678 PolarHBondContact O-N 3.24Å
675	L	97.2	Very high	95.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-47.8	174.8	179.6	64.2	0	0	0	112	M668 S671 P672 Y678 I679 V711 W715 T720	M668-L675 HydrophobicContact CB-CB 4.45Å; M668-L675 HydrophobicContact CB-CD1 4.11Å; S671-L675 PolarHBondContact O-N 2.99Å; P672-L675 PolarHBondContact O-N 3.45Å; L675-Y678 PolarHBondContact O-N 3.01Å; L675-I679 HydrophobicContact CD1-CD1 3.65Å; L675-I679 HydrophobicContact CD1-CG1 4.15Å; L675-I679 HydrophobicContact CG-CD1 4.08Å; L675-I679 PolarHBondContact O-N 3.21Å; L675-V711 HydrophobicContact CD2-CG1 4.12Å; L675-V711 HydrophobicContact CG-CG1 4.12Å; L675-W715 HydrophobicContact CD2-CB 3.99Å; L675-W715 HydrophobicContact CD2-CE3 4.15Å; L675-T720 HydrophobicContact CD1-CG2 3.89Å; L675-T720 WeakPolarHBondContact CD1-OG1 3.07Å
676	A	97.7	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-46.7	177.8	0	0	0	0	0	111.7	W444 P672 M673 Y678 I679 L680 V711	W444-A676 HydrophobicContact CZ3-CB 3.95Å; P672-A676 WeakPolarHBondContact O-CB 3.3Å; P672-A676 PolarHBondContact O-N 3.06Å; M673-A676 PolarHBondContact O-N 3.35Å; A676-Y678 VanDerWaalsContact C-N 3.28Å; A676-Y678 PolarHBondContact O-N 2.86Å; A676-I679 PolarHBondContact O-N 3.02Å; A676-L680 HydrophobicContact CB-CD1 4.25Å; A676-L680 WeakPolarHBondContact O-CB 3.34Å; A676-L680 WeakPolarHBondContact O-CG 3.38Å; A676-L680 PolarHBondContact O-N 3.49Å; A676-V711 HydrophobicContact CB-CG1 4.03Å; A676-V711 HydrophobicContact CB-CG2 4.33Å
677	A	95.9	Very high	95.2	Very high	26 Å²	26	22 Å²	22	22%	0.215	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-43.1	176.9	0	0	0	0	0	111.8	L437 M673 G674 E681	L437-A677 HydrophobicContact CD1-CB 3.93Å; L437-A677 HydrophobicContact CD2-CB 3.76Å; M673-A677 WeakPolarHBondContact O-CB 3.07Å; M673-A677 PolarHBondContact O-N 3.34Å; G674-A677 PolarHBondContact O-N 3.48Å; A677-E681 VanDerWaalsContact O-CB 3.29Å; A677-E681 WeakPolarHBondContact O-CB 3.36Å; A677-E681 PolarHBondContact O-N 3.16Å
678	Y	95.9	Very high	95	Very high	39 Å²	39	21 Å²	21	15%	0.153	12%	0.12	C	C	.	.	H	α-helix	trans	-70.7	-37.9	-177.2	-163.2	-92.6	0	0	0	113.5	W496 Y653 Q657 I664 M668 G674 L675 A676 M724	W496-Y678 HydrophobicContact CH2-CD1 4.23Å; W496-Y678 AromaticContact CH2-CE1 3.76Å; W496-Y678 HydrophobicContact CH2-CE1 3.76Å; W496-Y678 AromaticContact CZ2-CD1 3.96Å; W496-Y678 HydrophobicContact CZ2-CD1 3.96Å; W496-Y678 AromaticContact CZ2-CE1 3.57Å; W496-Y678 HydrophobicContact CZ2-CE1 3.57Å; Y653-Y678 WeakPolarHBondContact CB-OH 2.97Å; Q657-Y678 PolarHBondContact NE2-OH 3.18Å; Q657-Y678 VanDerWaalsContact NE2-OH 3.1Å; I664-Y678 HydrophobicContact CG1-CE2 4.28Å; M668-Y678 HydrophobicContact CE-CD2 3.36Å; M668-Y678 HydrophobicContact CE-CE2 3.98Å; M668-Y678 HydrophobicContact CE-CG 3.7Å; M668-Y678 HydrophobicContact SD-CD2 4.35Å; M668-Y678 HydrophobicContact SD-CG 4.09Å; G674-Y678 WeakPolarHBondContact O-CB 3.39Å; G674-Y678 PolarHBondContact O-N 3.24Å; L675-Y678 PolarHBondContact O-N 3.01Å; A676-Y678 VanDerWaalsContact C-N 3.28Å; A676-Y678 PolarHBondContact O-N 2.86Å; Y678-M724 HydrophobicContact CD1-CE 4.03Å; Y678-M724 HydrophobicContact CE1-CE 3.48Å; Y678-M724 VanDerWaalsContact CE1-CE 3.48Å
679	I	97.2	Very high	94.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-79.5	-48.9	178.7	-71	-178.5	0	0	0	111.2	P497 L675 A676 E681 K682 Y683 V711 Y714	P497-I679 HydrophobicContact CB-CB 4.32Å; P497-I679 HydrophobicContact CB-CG1 3.98Å; P497-I679 HydrophobicContact CB-CG2 3.96Å; P497-I679 HydrophobicContact CG-CG2 4.06Å; L675-I679 HydrophobicContact CD1-CD1 3.65Å; L675-I679 HydrophobicContact CD1-CG1 4.15Å; L675-I679 HydrophobicContact CG-CD1 4.08Å; L675-I679 PolarHBondContact O-N 3.21Å; A676-I679 PolarHBondContact O-N 3.02Å; I679-E681 VanDerWaalsContact C-N 3.31Å; I679-E681 PolarHBondContact O-N 3.34Å; I679-K682 WeakPolarHBondContact O-CB 3.02Å; I679-K682 PolarHBondContact O-N 3.11Å; I679-K682 VanDerWaalsContact O-N 3.09Å; I679-Y683 HydrophobicContact CG2-CD2 4.07Å; I679-Y683 HydrophobicContact CG2-CE2 3.97Å; I679-V711 HydrophobicContact CB-CG2 4.3Å; I679-V711 HydrophobicContact CG2-CG2 4.14Å; I679-Y714 HydrophobicContact CD1-CD1 3.99Å; I679-Y714 HydrophobicContact CD1-CD2 4.04Å; I679-Y714 HydrophobicContact CD1-CE1 4.46Å; I679-Y714 HydrophobicContact CD1-CG 3.75Å
680	L	97	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-74.4	-22.4	-170.4	-60.7	179.2	0	0	0	112.9	L432 I440 A676 K682 Y683 S684 L699 L707 V711	L432-L680 HydrophobicContact CD1-CB 3.61Å; I440-L680 HydrophobicContact CD1-CD1 3.84Å; I440-L680 HydrophobicContact CG2-CD1 4.31Å; A676-L680 HydrophobicContact CB-CD1 4.25Å; A676-L680 WeakPolarHBondContact O-CB 3.34Å; A676-L680 WeakPolarHBondContact O-CG 3.38Å; A676-L680 PolarHBondContact O-N 3.49Å; L680-K682 PolarHBondContact O-N 3.45Å; L680-Y683 HydrophobicContact CD2-CD2 4.37Å; L680-Y683 PolarHBondContact O-N 2.88Å; L680-S684 PolarHBondContact O-N 3.13Å; L680-S684 VanDerWaalsContact O-N 3.14Å; L680-L699 HydrophobicContact CB-CD1 4.32Å; L680-L707 HydrophobicContact CD2-CB 3.7Å; L680-L707 HydrophobicContact CD2-CD2 3.89Å; L680-L707 HydrophobicContact CD2-CG 4.25Å; L680-V711 HydrophobicContact CD1-CG2 4.23Å; L680-V711 HydrophobicContact CD2-CG2 3.92Å; L680-V711 HydrophobicContact CG-CG2 3.9Å
681	E	94.8	Very high	93.6	Very high	38 Å²	38	23.8 Å²	23.8	18%	0.178	13%	0.127	C	C	.	.	H	α-helix	trans	-56.7	-37.7	168.5	-176.9	-91.9	124.8	0	0	111.2	L432 A677 I679 S684 S685	L432-E681 HydrophobicContact CD1-CB 4.44Å; L432-E681 HydrophobicContact CG-CB 3.99Å; A677-E681 VanDerWaalsContact O-CB 3.29Å; A677-E681 WeakPolarHBondContact O-CB 3.36Å; A677-E681 PolarHBondContact O-N 3.16Å; I679-E681 VanDerWaalsContact C-N 3.31Å; I679-E681 PolarHBondContact O-N 3.34Å; E681-S684 WeakPolarHBondContact O-CB 3.49Å; E681-S684 PolarHBondContact O-N 3.43Å; E681-S685 PolarHBondContact O-N 2.88Å; E681-S685 PolarHBondContact O-OG 3.41Å; E681-S685 VanDerWaalsContact O-OG 3.04Å; E681-S685 PolarHBondContact OE1-OG 2.92Å
682	K	95.2	Very high	92.9	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-71	-39.6	177.7	-56.9	-43.6	-174.1	-167.4	0	112.7	W496 P497 E650 I679 L680 S684 S685 W686 F784	W496-K682 HydrophobicContact CH2-CG 4.08Å; W496-K682 HydrophobicContact CZ3-CG 3.99Å; P497-K682 HydrophobicContact CG-CB 3.99Å; P497-K682 HydrophobicContact CG-CG 4.42Å; E650-K682 IonicContact OE2-NZ 3.82Å; I679-K682 WeakPolarHBondContact O-CB 3.02Å; I679-K682 PolarHBondContact O-N 3.11Å; I679-K682 VanDerWaalsContact O-N 3.09Å; L680-K682 PolarHBondContact O-N 3.45Å; K682-S684 PolarHBondContact O-N 3.48Å; K682-S685 PolarHBondContact O-N 2.95Å; K682-W686 HydrophobicContact CB-CD2 3.87Å; K682-W686 HydrophobicContact CB-CE3 3.85Å; K682-W686 HydrophobicContact CB-CG 4.4Å; K682-W686 HydrophobicContact CB-CH2 4.43Å; K682-W686 HydrophobicContact CB-CZ2 4.39Å; K682-W686 HydrophobicContact CB-CZ3 4.17Å; K682-W686 HydrophobicContact CD-CD2 4.16Å; K682-W686 HydrophobicContact CD-CH2 4.28Å; K682-W686 HydrophobicContact CD-CZ2 3.61Å; K682-W686 HydrophobicContact CG-CD2 4.33Å; K682-W686 HydrophobicContact CG-CE3 4.42Å; K682-W686 HydrophobicContact CG-CH2 4.13Å; K682-W686 HydrophobicContact CG-CZ2 3.96Å; K682-W686 HydrophobicContact CG-CZ3 4.35Å; K682-W686 WeakPolarHBondContact O-CB 3.18Å; K682-W686 PolarHBondContact O-N 3.29Å; K682-F784 WeakPolarHBondContact O-CE2 3.32Å
683	Y	95.5	Very high	92.3	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-26.7	172	-83.6	-93.1	0	0	0	113.4	P497 I679 L680 S687 F702 L707 Q710 F784 M787	P497-Y683 HydrophobicContact CG-CD2 4.47Å; P497-Y683 HydrophobicContact CG-CE2 4.18Å; I679-Y683 HydrophobicContact CG2-CD2 4.07Å; I679-Y683 HydrophobicContact CG2-CE2 3.97Å; L680-Y683 HydrophobicContact CD2-CD2 4.37Å; L680-Y683 PolarHBondContact O-N 2.88Å; Y683-S687 WeakPolarHBondContact O-CB 3.24Å; Y683-S687 PolarHBondContact O-OG 3.32Å; Y683-F702 HydrophobicContact CD1-CD2 4.38Å; Y683-F702 HydrophobicContact CD1-CE1 4.09Å; Y683-F702 AromaticContact CD1-CE2 3.96Å; Y683-F702 HydrophobicContact CD1-CE2 3.96Å; Y683-F702 AromaticContact CD1-CZ 3.8Å; Y683-F702 HydrophobicContact CD1-CZ 3.8Å; Y683-F702 HydrophobicContact CE1-CE1 4.34Å; Y683-F702 HydrophobicContact CE1-CZ 4.43Å; Y683-L707 HydrophobicContact CD1-CD2 3.87Å; Y683-L707 HydrophobicContact CG-CD2 4Å; Y683-Q710 HydrophobicContact CE2-CG 4.07Å; Y683-Q710 WeakPolarHBondContact OH-CG 3.37Å; Y683-F784 HydrophobicContact CD1-CD1 4.28Å; Y683-F784 AromaticContact CD1-CD2 3.89Å; Y683-F784 HydrophobicContact CD1-CD2 3.89Å; Y683-F784 HydrophobicContact CD1-CE1 4.42Å; Y683-F784 HydrophobicContact CD1-CE2 4.07Å; Y683-F784 HydrophobicContact CD1-CG 4.01Å; Y683-F784 HydrophobicContact CD1-CZ 4.31Å; Y683-F784 HydrophobicContact CD2-CE1 4.41Å; Y683-F784 HydrophobicContact CD2-CE2 4.32Å; Y683-F784 HydrophobicContact CD2-CZ 4.03Å; Y683-F784 HydrophobicContact CE1-CB 4.37Å; Y683-F784 AromaticContact CE1-CD1 3.72Å; Y683-F784 HydrophobicContact CE1-CD1 3.72Å; Y683-F784 HydrophobicContact CE1-CD2 4.16Å; Y683-F784 AromaticContact CE1-CE1 3.97Å; Y683-F784 HydrophobicContact CE1-CE1 3.97Å; Y683-F784 HydrophobicContact CE1-CE2 4.4Å; Y683-F784 AromaticContact CE1-CG 3.81Å; Y683-F784 HydrophobicContact CE1-CG 3.81Å; Y683-F784 HydrophobicContact CE1-CZ 4.3Å; Y683-F784 AromaticContact CE2-CE1 3.96Å; Y683-F784 HydrophobicContact CE2-CE1 3.96Å; Y683-F784 HydrophobicContact CE2-CZ 4.02Å; Y683-F784 HydrophobicContact CG-CD2 4.29Å; Y683-F784 HydrophobicContact CG-CE2 4.01Å; Y683-F784 HydrophobicContact CG-CZ 4.17Å; Y683-F784 AromaticContact CZ-CD1 3.84Å; Y683-F784 AromaticContact CZ-CE1 3.7Å; Y683-M787 HydrophobicContact CE1-SD 3.93Å
684	S	94.1	Very high	91.9	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-75.6	-69.6	170.5	161.4	0	0	0	0	110.8	L680 E681 K682 W686 S687 Y691 G697	L680-S684 PolarHBondContact O-N 3.13Å; L680-S684 VanDerWaalsContact O-N 3.14Å; E681-S684 WeakPolarHBondContact O-CB 3.49Å; E681-S684 PolarHBondContact O-N 3.43Å; K682-S684 PolarHBondContact O-N 3.48Å; S684-W686 VanDerWaalsContact C-N 3.34Å; S684-W686 PolarHBondContact O-N 3.17Å; S684-S687 PolarHBondContact O-N 2.95Å; S684-Y691 WeakPolarHBondContact O-CD2 3.33Å; S684-G697 WeakPolarHBondContact CA-O 3.49Å; S684-G697 WeakPolarHBondContact CB-O 3.4Å; S684-G697 PolarHBondContact OG-O 2.99Å
685	S	90.6	Very high	91.5	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-27.3	-166.4	56.2	0	0	0	0	113.7	E681 K682	E681-S685 PolarHBondContact O-N 2.88Å; E681-S685 PolarHBondContact O-OG 3.41Å; E681-S685 VanDerWaalsContact O-OG 3.04Å; E681-S685 PolarHBondContact OE1-OG 2.92Å; K682-S685 PolarHBondContact O-N 2.95Å
686	W	92.5	Very high	91.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15	-178.5	-60.2	-6.2	0	0	0	113.9	W496 Y653 K682 S684 L757 H783 F784	W496-W686 AromaticContact CE3-CH2 3.78Å; W496-W686 HydrophobicContact CE3-CH2 3.78Å; W496-W686 HydrophobicContact CE3-CZ3 4.14Å; W496-W686 AromaticContact CZ3-CH2 3.55Å; W496-W686 HydrophobicContact CZ3-CH2 3.55Å; W496-W686 HydrophobicContact CZ3-CZ2 4.33Å; W496-W686 HydrophobicContact CZ3-CZ3 4.16Å; Y653-W686 HydrophobicContact CD1-CZ2 4.13Å; Y653-W686 HydrophobicContact CE1-CH2 4.05Å; Y653-W686 AromaticContact CE1-CZ2 3.41Å; Y653-W686 HydrophobicContact CE1-CZ2 3.41Å; Y653-W686 VanDerWaalsContact CE1-CZ2 3.41Å; Y653-W686 AromaticContact CE2-CH2 3.78Å; Y653-W686 HydrophobicContact CE2-CH2 3.78Å; Y653-W686 HydrophobicContact CE2-CZ2 4Å; Y653-W686 AromaticContact CZ-CH2 3.46Å; Y653-W686 VanDerWaalsContact CZ-CH2 3.46Å; Y653-W686 AromaticContact CZ-CZ2 3.31Å; Y653-W686 VanDerWaalsContact OH-CH2 3.32Å; Y653-W686 WeakPolarHBondContact OH-CH2 3.38Å; Y653-W686 WeakPolarHBondContact OH-CZ2 3.19Å; K682-W686 HydrophobicContact CB-CD2 3.87Å; K682-W686 HydrophobicContact CB-CE3 3.85Å; K682-W686 HydrophobicContact CB-CG 4.4Å; K682-W686 HydrophobicContact CB-CH2 4.43Å; K682-W686 HydrophobicContact CB-CZ2 4.39Å; K682-W686 HydrophobicContact CB-CZ3 4.17Å; K682-W686 HydrophobicContact CD-CD2 4.16Å; K682-W686 HydrophobicContact CD-CH2 4.28Å; K682-W686 HydrophobicContact CD-CZ2 3.61Å; K682-W686 HydrophobicContact CG-CD2 4.33Å; K682-W686 HydrophobicContact CG-CE3 4.42Å; K682-W686 HydrophobicContact CG-CH2 4.13Å; K682-W686 HydrophobicContact CG-CZ2 3.96Å; K682-W686 HydrophobicContact CG-CZ3 4.35Å; K682-W686 WeakPolarHBondContact O-CB 3.18Å; K682-W686 PolarHBondContact O-N 3.29Å; S684-W686 VanDerWaalsContact C-N 3.34Å; S684-W686 PolarHBondContact O-N 3.17Å; W686-L757 HydrophobicContact CB-CD2 4Å; W686-L757 HydrophobicContact CD2-CD1 3.8Å; W686-L757 HydrophobicContact CD2-CD2 4.4Å; W686-L757 HydrophobicContact CE3-CD1 4.11Å; W686-L757 HydrophobicContact CG-CD1 4.05Å; W686-L757 HydrophobicContact CG-CD2 3.78Å; W686-L757 HydrophobicContact CG-CG 4.36Å; W686-L757 HydrophobicContact CZ2-CD1 4.49Å; W686-H783 HydrophobicContact CB-CB 3.72Å; W686-H783 AromaticContact CE3-CD2 3.47Å; W686-H783 VanDerWaalsContact CE3-CD2 3.47Å; W686-H783 AromaticContact CE3-NE2 3.78Å; W686-H783 AromaticContact CZ3-NE2 3.88Å; W686-H783 VanDerWaalsContact O-CB 3.27Å; W686-H783 WeakPolarHBondContact O-CB 3.5Å; W686-H783 PolarHBondContact O-N 3.29Å; W686-F784 HydrophobicContact CB-CE2 4.02Å; W686-F784 HydrophobicContact CE3-CE2 4.32Å; W686-F784 HydrophobicContact CE3-CZ 4Å
687	S	92.5	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-36.6	170.4	-79.1	0	0	0	0	111.6	Y683 S684 F702 N755 G782 E788	Y683-S687 WeakPolarHBondContact O-CB 3.24Å; Y683-S687 PolarHBondContact O-OG 3.32Å; S684-S687 PolarHBondContact O-N 2.95Å; S687-F702 WeakPolarHBondContact OG-CZ 3.42Å; S687-N755 WeakPolarHBondContact O-CB 3.41Å; S687-G782 VanDerWaalsContact O-CA 3.3Å; S687-G782 WeakPolarHBondContact O-CA 3.28Å; S687-E788 WeakPolarHBondContact CB-OE1 3.36Å; S687-E788 PolarHBondContact OG-OE1 3.26Å
688	H	89.2	Confident	90.7	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.171	18%	0.177	C	C	.	.			trans	-162	131.1	172.9	-163.9	-72.7	0	0	0	110.5	D690 Y691 N755	H688-D690 IonicContact CE1-OD2 3.57Å; H688-D690 PolarHBondContact CE1-OD2 3.04Å; H688-D690 VanDerWaalsContact CE1-OD2 3.3Å; H688-D690 WeakPolarHBondContact ND1-CB 3.33Å; H688-D690 PolarHBondContact ND1-N 3.47Å; H688-D690 VanDerWaalsContact ND1-N 3.15Å; H688-D690 IonicContact ND1-OD2 3.88Å; H688-D690 PolarHBondContact O-N 2.99Å; H688-D690 VanDerWaalsContact O-N 3.08Å; H688-Y691 HydrophobicContact CB-CD1 3.38Å; H688-Y691 HydrophobicContact CB-CD2 3.81Å; H688-Y691 HydrophobicContact CB-CE1 3.32Å; H688-Y691 HydrophobicContact CB-CE2 3.79Å; H688-Y691 HydrophobicContact CB-CG 3.6Å; H688-Y691 AromaticContact CG-CD1 3.95Å; H688-Y691 AromaticContact CG-CE1 3.8Å; H688-Y691 VanDerWaalsContact O-CB 3.27Å; H688-Y691 WeakPolarHBondContact O-CB 3.17Å; H688-Y691 PolarHBondContact O-N 3.39Å; H688-N755 PolarHBondContact CD2-ND2 2.9Å; H688-N755 PolarHBondContact CD2-OD1 2.91Å; H688-N755 PolarHBondContact NE2-OD1 2.83Å
689	K	80.4	Confident	90.6	Very high	154 Å²	154	34 Å²	34	67%	0.67	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-54.4	-34.5	-179.1	65.8	-177.8	-177.1	-178.8	0	113.9	Y691 T692	K689-Y691 VanDerWaalsContact C-N 3.33Å; K689-T692 PolarHBondContact O-OG1 2.77Å; K689-T692 VanDerWaalsContact O-OG1 3.14Å
690	D	84.9	Confident	90.3	Very high	74 Å²	74	38 Å²	38	40%	0.396	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-82.6	-4.7	-179.9	-58.6	-33.1	0	0	0	113.9	H688 T692 N693	H688-D690 IonicContact CE1-OD2 3.57Å; H688-D690 PolarHBondContact CE1-OD2 3.04Å; H688-D690 VanDerWaalsContact CE1-OD2 3.3Å; H688-D690 WeakPolarHBondContact ND1-CB 3.33Å; H688-D690 PolarHBondContact ND1-N 3.47Å; H688-D690 VanDerWaalsContact ND1-N 3.15Å; H688-D690 IonicContact ND1-OD2 3.88Å; H688-D690 PolarHBondContact O-N 2.99Å; H688-D690 VanDerWaalsContact O-N 3.08Å; D690-T692 PolarHBondContact O-N 3.13Å; D690-N693 WeakPolarHBondContact O-CB 3.29Å; D690-N693 PolarHBondContact O-N 2.88Å
691	Y	88.4	Confident	90	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.051	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64	-28.6	178.5	-79.8	3.4	0	0	0	112.5	S684 H688 K689 N693 R694 G697 G698 E701	S684-Y691 WeakPolarHBondContact O-CD2 3.33Å; H688-Y691 HydrophobicContact CB-CD1 3.38Å; H688-Y691 HydrophobicContact CB-CD2 3.81Å; H688-Y691 HydrophobicContact CB-CE1 3.32Å; H688-Y691 HydrophobicContact CB-CE2 3.79Å; H688-Y691 HydrophobicContact CB-CG 3.6Å; H688-Y691 AromaticContact CG-CD1 3.95Å; H688-Y691 AromaticContact CG-CE1 3.8Å; H688-Y691 VanDerWaalsContact O-CB 3.27Å; H688-Y691 WeakPolarHBondContact O-CB 3.17Å; H688-Y691 PolarHBondContact O-N 3.39Å; K689-Y691 VanDerWaalsContact C-N 3.33Å; Y691-N693 PolarHBondContact O-N 3.44Å; Y691-N693 VanDerWaalsContact O-N 3.1Å; Y691-R694 VanDerWaalsContact CE1-CZ 3.44Å; Y691-R694 VanDerWaalsContact CE1-NH1 3.27Å; Y691-R694 WeakPolarHBondContact O-CB 3.46Å; Y691-R694 PolarHBondContact O-N 3.22Å; Y691-G697 WeakPolarHBondContact CB-O 3.31Å; Y691-G697 CarbonylContact O-C 3.38Å; Y691-G697 WeakPolarHBondContact O-CA 3.45Å; Y691-G698 PolarHBondContact O-N 3.12Å; Y691-E701 HydrophobicContact CE1-CG 4.4Å; Y691-E701 HydrophobicContact CE2-CB 4.45Å; Y691-E701 HydrophobicContact CE2-CG 3.97Å; Y691-E701 WeakPolarHBondContact OH-CG 3.4Å
692	T	81.6	Confident	90	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.5	170.9	55.9	0	0	0	0	113	H428 K689 D690	H428-T692 HydrophobicContact CB-CG2 4.18Å; H428-T692 PolarHBondContact ND1-O 3.04Å; K689-T692 PolarHBondContact O-OG1 2.77Å; K689-T692 VanDerWaalsContact O-OG1 3.14Å; D690-T692 PolarHBondContact O-N 3.13Å
693	N	85.2	Confident	90.1	Very high	83 Å²	83	43.9 Å²	43.9	44%	0.444	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-88.2	-9.5	174.5	-64.7	-60	0	0	0	114.2	K427 D690 Y691	K427-N693 WeakPolarHBondContact CD-OD1 3.48Å; K427-N693 PolarHBondContact NZ-OD1 3.49Å; D690-N693 WeakPolarHBondContact O-CB 3.29Å; D690-N693 PolarHBondContact O-N 2.88Å; Y691-N693 PolarHBondContact O-N 3.44Å; Y691-N693 VanDerWaalsContact O-N 3.1Å
694	R	88.8	Confident	90.2	Very high	106 Å²	106	45.9 Å²	45.9	40%	0.4	25%	0.246	S	C	.	.	S	Bend	trans	-91.9	159.2	-177.6	-65.8	-172.8	-178.3	-173.2	1.1	111.8	Y691 G697 E701	Y691-R694 VanDerWaalsContact CE1-CZ 3.44Å; Y691-R694 VanDerWaalsContact CE1-NH1 3.27Å; Y691-R694 WeakPolarHBondContact O-CB 3.46Å; Y691-R694 PolarHBondContact O-N 3.22Å; R694-G697 PolarHBondContact O-N 2.99Å; R694-G697 VanDerWaalsContact O-N 3.11Å; R694-E701 IonicContact NH1-OE1 3.34Å; R694-E701 PolarHBondContact NH1-OE1 3.4Å
695	P	86.7	Confident	90.4	Very high	111 Å²	111	48.8 Å²	48.8	72%	0.721	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-51.9	141.9	166.1	-25	34.6	0	0	0	111.4	G697 G698	P695-G697 PolarHBondContact O-N 3.31Å; P695-G698 PolarHBondContact O-N 3.28Å; P695-G698 VanDerWaalsContact O-N 3.11Å
696	M	90.2	Very high	90.7	Very high	30 Å²	30	49.1 Å²	49.1	15%	0.148	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	56.5	14.3	-176.8	-60.9	-67.5	-73.1	0	0	115.1	V436 K439 I440 G698 L699 M704	V436-M696 HydrophobicContact CB-CE 4.39Å; V436-M696 HydrophobicContact CB-SD 4.07Å; V436-M696 HydrophobicContact CG1-CB 4.5Å; V436-M696 HydrophobicContact CG1-CE 3.67Å; V436-M696 HydrophobicContact CG1-SD 3.86Å; V436-M696 HydrophobicContact CG2-SD 3.82Å; K439-M696 HydrophobicContact CB-CE 3.92Å; K439-M696 HydrophobicContact CB-SD 4.33Å; K439-M696 HydrophobicContact CD-CE 4.08Å; K439-M696 HydrophobicContact CD-SD 3.4Å; K439-M696 WeakPolarHBondContact CD-SD 3.32Å; I440-M696 HydrophobicContact CG1-CE 4.42Å; M696-G698 VanDerWaalsContact C-N 3.27Å; M696-G698 PolarHBondContact O-N 3.16Å; M696-L699 WeakPolarHBondContact O-CB 3.22Å; M696-L699 VanDerWaalsContact O-CG 3.32Å; M696-L699 WeakPolarHBondContact O-CG 3.49Å; M696-L699 PolarHBondContact O-N 2.97Å; M696-M704 HydrophobicContact CE-CE 4.06Å
697	G	91.2	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	66.5	31.5	-174.9	0	0	0	0	0	111.9	H428 S684 Y691 R694 P695 L699	H428-G697 VanDerWaalsContact CE1-CA 3.47Å; H428-G697 WeakPolarHBondContact CE1-CA 3.34Å; H428-G697 PolarHBondContact CE1-N 3.37Å; H428-G697 PolarHBondContact NE2-N 3.5Å; S684-G697 WeakPolarHBondContact CA-O 3.49Å; S684-G697 WeakPolarHBondContact CB-O 3.4Å; S684-G697 PolarHBondContact OG-O 2.99Å; Y691-G697 WeakPolarHBondContact CB-O 3.31Å; Y691-G697 CarbonylContact O-C 3.38Å; Y691-G697 WeakPolarHBondContact O-CA 3.45Å; R694-G697 PolarHBondContact O-N 2.99Å; R694-G697 VanDerWaalsContact O-N 3.11Å; P695-G697 PolarHBondContact O-N 3.31Å; G697-L699 PolarHBondContact O-N 3.06Å
698	G	92.6	Very high	91.3	Very high	4 Å²	4	49 Å²	49	4%	0.041	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	68.3	3.4	-179.2	0	0	0	0	0	115.6	Y691 P695 M696 A700 E701	Y691-G698 PolarHBondContact O-N 3.12Å; P695-G698 PolarHBondContact O-N 3.28Å; P695-G698 VanDerWaalsContact O-N 3.11Å; M696-G698 VanDerWaalsContact C-N 3.27Å; M696-G698 PolarHBondContact O-N 3.16Å; G698-A700 PolarHBondContact O-N 3.22Å; G698-E701 WeakPolarHBondContact O-CG 3.41Å; G698-E701 PolarHBondContact O-N 3.44Å; G698-E701 VanDerWaalsContact O-N 3.15Å
699	L	94.5	Very high	91.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.2	-16.2	178.3	-70.5	178	0	0	0	114.3	L432 V436 I440 L680 M696 G697 E701 F702 L707	L432-L699 HydrophobicContact CD1-CD1 4.37Å; L432-L699 HydrophobicContact CD2-CD1 4.12Å; V436-L699 HydrophobicContact CG1-CD1 4.39Å; I440-L699 HydrophobicContact CD1-CD1 4.35Å; L680-L699 HydrophobicContact CB-CD1 4.32Å; M696-L699 WeakPolarHBondContact O-CB 3.22Å; M696-L699 VanDerWaalsContact O-CG 3.32Å; M696-L699 WeakPolarHBondContact O-CG 3.49Å; M696-L699 PolarHBondContact O-N 2.97Å; G697-L699 PolarHBondContact O-N 3.06Å; L699-E701 PolarHBondContact O-N 2.85Å; L699-E701 VanDerWaalsContact O-N 3.17Å; L699-F702 PolarHBondContact O-N 3.47Å; L699-F702 VanDerWaalsContact O-N 3.1Å; L699-L707 HydrophobicContact CB-CD1 3.85Å; L699-L707 HydrophobicContact CD1-CD1 4.44Å; L699-L707 HydrophobicContact CD2-CD1 4.02Å; L699-L707 HydrophobicContact CD2-CD2 4.33Å; L699-L707 HydrophobicContact CG-CD1 4.33Å
700	A	90.9	Very high	92.6	Very high	87 Å²	87	40.1 Å²	40.1	72%	0.719	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-66	-9	175.6	0	0	0	0	0	114.4	G698 F702	G698-A700 PolarHBondContact O-N 3.22Å; A700-F702 CarbonylContact C-O 3.5Å
701	E	90.7	Very high	93.3	Very high	93 Å²	93	36.6 Å²	36.6	44%	0.435	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.4	-16.8	171.9	-61.2	-87.8	-179.9	0	0	111.9	Y691 R694 G698 L699	Y691-E701 HydrophobicContact CE1-CG 4.4Å; Y691-E701 HydrophobicContact CE2-CB 4.45Å; Y691-E701 HydrophobicContact CE2-CG 3.97Å; Y691-E701 WeakPolarHBondContact OH-CG 3.4Å; R694-E701 IonicContact NH1-OE1 3.34Å; R694-E701 PolarHBondContact NH1-OE1 3.4Å; G698-E701 WeakPolarHBondContact O-CG 3.41Å; G698-E701 PolarHBondContact O-N 3.44Å; G698-E701 VanDerWaalsContact O-N 3.15Å; L699-E701 PolarHBondContact O-N 2.85Å; L699-E701 VanDerWaalsContact O-N 3.17Å
702	F	95.2	Very high	93.8	Very high	11 Å²	11	36 Å²	36	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-107.1	157.4	169.2	-54.6	-84.3	0	0	0	109.8	Y683 S687 L699 A700 L707 F784 M787 E788	Y683-F702 HydrophobicContact CD1-CD2 4.38Å; Y683-F702 HydrophobicContact CD1-CE1 4.09Å; Y683-F702 AromaticContact CD1-CE2 3.96Å; Y683-F702 HydrophobicContact CD1-CE2 3.96Å; Y683-F702 AromaticContact CD1-CZ 3.8Å; Y683-F702 HydrophobicContact CD1-CZ 3.8Å; Y683-F702 HydrophobicContact CE1-CE1 4.34Å; Y683-F702 HydrophobicContact CE1-CZ 4.43Å; S687-F702 WeakPolarHBondContact OG-CZ 3.42Å; L699-F702 PolarHBondContact O-N 3.47Å; L699-F702 VanDerWaalsContact O-N 3.1Å; A700-F702 CarbonylContact C-O 3.5Å; F702-L707 HydrophobicContact CB-CD1 4.16Å; F702-L707 HydrophobicContact CB-CD2 3.7Å; F702-L707 HydrophobicContact CB-CG 3.78Å; F702-L707 HydrophobicContact CD2-CD2 3.91Å; F702-L707 HydrophobicContact CG-CD2 3.81Å; F702-L707 HydrophobicContact CG-CG 4.44Å; F702-F784 HydrophobicContact CE1-CB 4.32Å; F702-F784 HydrophobicContact CZ-CB 4.11Å; F702-M787 HydrophobicContact CD1-CB 4.37Å; F702-M787 HydrophobicContact CD1-CE 4.41Å; F702-M787 HydrophobicContact CE1-CB 3.93Å; F702-E788 HydrophobicContact CE1-CG 3.74Å; F702-E788 HydrophobicContact CZ-CG 3.61Å
703	T	96.5	Very high	94.6	Very high	68 Å²	68	34.8 Å²	34.8	42%	0.417	19%	0.194	S	C	.	.			trans	-75.8	148.9	167.2	77.3	0	0	0	0	110	D705 E706 L707	T703-D705 PolarHBondContact O-N 3.07Å; T703-E706 PolarHBondContact N-OE2 2.78Å; T703-E706 WeakPolarHBondContact O-CB 3.17Å; T703-E706 PolarHBondContact O-N 3.28Å; T703-E706 VanDerWaalsContact OG1-CG 3.27Å; T703-E706 WeakPolarHBondContact OG1-CG 3.48Å; T703-E706 PolarHBondContact OG1-N 2.93Å; T703-E706 PolarHBondContact OG1-OE2 3.18Å; T703-L707 PolarHBondContact O-N 3.22Å
704	M	97.4	Very high	95.2	Very high	42 Å²	42	30.9 Å²	30.9	21%	0.207	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-34.9	177.5	-165.2	61.7	68	0	0	111.6	I440 Y443 M696 E706 L707 I708	I440-M704 HydrophobicContact CG1-CE 4.18Å; I440-M704 HydrophobicContact CG1-SD 3.86Å; Y443-M704 HydrophobicContact CD1-CB 3.87Å; Y443-M704 HydrophobicContact CD1-CG 3.29Å; Y443-M704 HydrophobicContact CD2-CB 4.42Å; Y443-M704 HydrophobicContact CD2-CG 4.17Å; Y443-M704 HydrophobicContact CE1-CB 3.68Å; Y443-M704 HydrophobicContact CE1-CG 3.66Å; Y443-M704 HydrophobicContact CE2-CB 4.27Å; Y443-M704 HydrophobicContact CE2-CG 4.48Å; Y443-M704 HydrophobicContact CG-CB 4.22Å; Y443-M704 HydrophobicContact CG-CG 3.56Å; M696-M704 HydrophobicContact CE-CE 4.06Å; M704-E706 VanDerWaalsContact C-N 3.32Å; M704-E706 PolarHBondContact O-N 2.63Å; M704-L707 PolarHBondContact O-N 2.99Å; M704-L707 HydrophobicContact SD-CD1 4.48Å; M704-I708 HydrophobicContact CG-CD1 3.75Å; M704-I708 HydrophobicContact CG-CG1 4.35Å; M704-I708 WeakPolarHBondContact O-CB 3.5Å; M704-I708 WeakPolarHBondContact O-CG1 3.31Å; M704-I708 PolarHBondContact O-N 3.26Å; M704-I708 HydrophobicContact SD-CD1 4.33Å; M704-I708 HydrophobicContact SD-CG1 4.49Å
705	D	98.3	Very high	95.6	Very high	64 Å²	64	26.9 Å²	26.9	34%	0.342	16%	0.158	S	C	.	.	H	α-helix	trans	-57.7	-41.7	171.9	-70.6	-47.3	0	0	0	112.6	Y448 T703 T709	Y448-D705 WeakPolarHBondContact CD2-OD1 3.3Å; Y448-D705 HydrophobicContact CE2-CB 4.48Å; T703-D705 PolarHBondContact O-N 3.07Å; D705-T709 WeakPolarHBondContact O-CB 3.16Å; D705-T709 PolarHBondContact O-N 3.08Å; D705-T709 PolarHBondContact O-OG1 3.37Å
706	E	98	Very high	96.1	Very high	21 Å²	21	22.6 Å²	22.6	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-46.2	179.3	-74.9	179.8	122.4	0	0	111.9	F501 K505 T703 M704 T709 Q710 M787	F501-E706 HydrophobicContact CE1-CB 4.34Å; F501-E706 HydrophobicContact CE1-CG 4.5Å; F501-E706 WeakPolarHBondContact CE1-O 3.4Å; F501-E706 HydrophobicContact CZ-CG 4.34Å; K505-E706 WeakPolarHBondContact CE-OE1 3.28Å; K505-E706 IonicContact NZ-OE1 2.97Å; K505-E706 PolarHBondContact NZ-OE1 3.44Å; K505-E706 IonicContact NZ-OE2 2.76Å; K505-E706 PolarHBondContact NZ-OE2 3.16Å; T703-E706 PolarHBondContact N-OE2 2.78Å; T703-E706 WeakPolarHBondContact O-CB 3.17Å; T703-E706 PolarHBondContact O-N 3.28Å; T703-E706 VanDerWaalsContact OG1-CG 3.27Å; T703-E706 WeakPolarHBondContact OG1-CG 3.48Å; T703-E706 PolarHBondContact OG1-N 2.93Å; T703-E706 PolarHBondContact OG1-OE2 3.18Å; M704-E706 VanDerWaalsContact C-N 3.32Å; M704-E706 PolarHBondContact O-N 2.63Å; E706-T709 PolarHBondContact O-N 3.41Å; E706-Q710 WeakPolarHBondContact O-CB 3.37Å; E706-Q710 PolarHBondContact O-N 2.84Å; E706-M787 HydrophobicContact CB-CE 3.98Å; E706-M787 HydrophobicContact CG-CE 4.41Å
707	L	98.3	Very high	96.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-48.9	178.9	-65.2	178.6	0	0	0	111.1	L680 Y683 L699 F702 T703 M704 Q710 V711	L680-L707 HydrophobicContact CD2-CB 3.7Å; L680-L707 HydrophobicContact CD2-CD2 3.89Å; L680-L707 HydrophobicContact CD2-CG 4.25Å; Y683-L707 HydrophobicContact CD1-CD2 3.87Å; Y683-L707 HydrophobicContact CG-CD2 4Å; L699-L707 HydrophobicContact CB-CD1 3.85Å; L699-L707 HydrophobicContact CD1-CD1 4.44Å; L699-L707 HydrophobicContact CD2-CD1 4.02Å; L699-L707 HydrophobicContact CD2-CD2 4.33Å; L699-L707 HydrophobicContact CG-CD1 4.33Å; F702-L707 HydrophobicContact CB-CD1 4.16Å; F702-L707 HydrophobicContact CB-CD2 3.7Å; F702-L707 HydrophobicContact CB-CG 3.78Å; F702-L707 HydrophobicContact CD2-CD2 3.91Å; F702-L707 HydrophobicContact CG-CD2 3.81Å; F702-L707 HydrophobicContact CG-CG 4.44Å; T703-L707 PolarHBondContact O-N 3.22Å; M704-L707 PolarHBondContact O-N 2.99Å; M704-L707 HydrophobicContact SD-CD1 4.48Å; L707-Q710 PolarHBondContact O-N 3.36Å; L707-V711 WeakPolarHBondContact O-CG2 3.42Å; L707-V711 PolarHBondContact O-N 3.36Å; L707-V711 VanDerWaalsContact O-N 3.14Å
708	I	98.6	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-38.9	179.4	-66	171.2	0	0	0	111	I440 Y443 W444 Y448 M704 Q710 V711 M712	I440-I708 HydrophobicContact CG2-CG1 4.38Å; Y443-I708 HydrophobicContact CD1-CD1 3.64Å; Y443-I708 HydrophobicContact CE1-CD1 4.36Å; W444-I708 HydrophobicContact CB-CD1 3.86Å; W444-I708 HydrophobicContact CD2-CG2 3.74Å; W444-I708 HydrophobicContact CE3-CG2 4.48Å; W444-I708 HydrophobicContact CG-CD1 4.09Å; W444-I708 HydrophobicContact CG-CG2 3.81Å; W444-I708 HydrophobicContact CZ2-CG2 4.2Å; Y448-I708 HydrophobicContact CD1-CG2 3.62Å; Y448-I708 HydrophobicContact CD2-CB 3.95Å; Y448-I708 HydrophobicContact CD2-CD1 4.37Å; Y448-I708 HydrophobicContact CD2-CG2 3.78Å; Y448-I708 HydrophobicContact CE1-CG2 3.59Å; Y448-I708 HydrophobicContact CE2-CB 3.95Å; Y448-I708 HydrophobicContact CE2-CG2 3.77Å; Y448-I708 HydrophobicContact CG-CB 4.3Å; Y448-I708 HydrophobicContact CG-CD1 4.33Å; Y448-I708 HydrophobicContact CG-CG2 3.7Å; M704-I708 HydrophobicContact CG-CD1 3.75Å; M704-I708 HydrophobicContact CG-CG1 4.35Å; M704-I708 WeakPolarHBondContact O-CB 3.5Å; M704-I708 WeakPolarHBondContact O-CG1 3.31Å; M704-I708 PolarHBondContact O-N 3.26Å; M704-I708 HydrophobicContact SD-CD1 4.33Å; M704-I708 HydrophobicContact SD-CG1 4.49Å; I708-Q710 VanDerWaalsContact C-N 3.31Å; I708-Q710 PolarHBondContact O-N 2.85Å; I708-V711 PolarHBondContact O-N 3.17Å; I708-M712 HydrophobicContact CG2-CG 4.05Å; I708-M712 WeakPolarHBondContact O-CB 3.49Å; I708-M712 VanDerWaalsContact O-CG 3.31Å; I708-M712 WeakPolarHBondContact O-CG 3.46Å; I708-M712 PolarHBondContact O-N 3.37Å
709	T	98.7	Very high	97	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-41.7	176.4	-61.1	0	0	0	0	111.5	Y448 A453 L457 F501 D705 E706 M712 I713	Y448-T709 WeakPolarHBondContact CE2-OG1 3.28Å; Y448-T709 VanDerWaalsContact OH-CA 3.3Å; Y448-T709 WeakPolarHBondContact OH-CA 3.49Å; Y448-T709 PolarHBondContact OH-OG1 2.95Å; A453-T709 HydrophobicContact CB-CG2 4.35Å; L457-T709 HydrophobicContact CD1-CG2 4.19Å; F501-T709 HydrophobicContact CD1-CG2 4.29Å; F501-T709 HydrophobicContact CD2-CG2 4.24Å; F501-T709 HydrophobicContact CE1-CG2 3.93Å; F501-T709 HydrophobicContact CE2-CG2 3.86Å; F501-T709 HydrophobicContact CG-CG2 4.43Å; F501-T709 HydrophobicContact CZ-CG2 3.7Å; D705-T709 WeakPolarHBondContact O-CB 3.16Å; D705-T709 PolarHBondContact O-N 3.08Å; D705-T709 PolarHBondContact O-OG1 3.37Å; E706-T709 PolarHBondContact O-N 3.41Å; T709-M712 PolarHBondContact O-N 2.94Å; T709-I713 HydrophobicContact CG2-CD1 4.37Å; T709-I713 WeakPolarHBondContact O-CG1 3.28Å; T709-I713 PolarHBondContact O-N 3.25Å
710	Q	98.5	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-44.3	175.7	-179.4	58.5	31.5	0	0	111.8	P497 S498 S499 F501 Y683 E706 L707 I708 I713 Y714	P497-Q710 PolarHBondContact O-NE2 2.82Å; S498-Q710 VanDerWaalsContact CA-NE2 3.26Å; S498-Q710 PolarHBondContact O-NE2 3.11Å; S499-Q710 VanDerWaalsContact N-NE2 3.18Å; S499-Q710 PolarHBondContact OG-OE1 3.45Å; F501-Q710 HydrophobicContact CD1-CB 4.25Å; Y683-Q710 HydrophobicContact CE2-CG 4.07Å; Y683-Q710 WeakPolarHBondContact OH-CG 3.37Å; E706-Q710 WeakPolarHBondContact O-CB 3.37Å; E706-Q710 PolarHBondContact O-N 2.84Å; L707-Q710 PolarHBondContact O-N 3.36Å; I708-Q710 VanDerWaalsContact C-N 3.31Å; I708-Q710 PolarHBondContact O-N 2.85Å; Q710-I713 PolarHBondContact O-N 2.9Å; Q710-Y714 VanDerWaalsContact NE2-CE2 3.3Å
711	V	98.5	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-42	175.1	174.6	0	0	0	0	111.2	W444 L675 A676 I679 L680 L707 I708 I713 Y714 W715	W444-V711 HydrophobicContact CH2-CB 4.44Å; W444-V711 HydrophobicContact CH2-CG1 3.55Å; W444-V711 HydrophobicContact CZ2-CG1 4.38Å; W444-V711 HydrophobicContact CZ3-CG1 4.1Å; L675-V711 HydrophobicContact CD2-CG1 4.12Å; L675-V711 HydrophobicContact CG-CG1 4.12Å; A676-V711 HydrophobicContact CB-CG1 4.03Å; A676-V711 HydrophobicContact CB-CG2 4.33Å; I679-V711 HydrophobicContact CB-CG2 4.3Å; I679-V711 HydrophobicContact CG2-CG2 4.14Å; L680-V711 HydrophobicContact CD1-CG2 4.23Å; L680-V711 HydrophobicContact CD2-CG2 3.92Å; L680-V711 HydrophobicContact CG-CG2 3.9Å; L707-V711 WeakPolarHBondContact O-CG2 3.42Å; L707-V711 PolarHBondContact O-N 3.36Å; L707-V711 VanDerWaalsContact O-N 3.14Å; I708-V711 PolarHBondContact O-N 3.17Å; V711-I713 VanDerWaalsContact C-N 3.33Å; V711-I713 PolarHBondContact O-N 2.85Å; V711-Y714 WeakPolarHBondContact O-CB 3.37Å; V711-Y714 PolarHBondContact O-N 3.32Å; V711-Y714 VanDerWaalsContact O-N 3.11Å; V711-W715 PolarHBondContact O-N 3.46Å
712	M	98.4	Very high	97.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-41.1	179	-83.1	-66.7	-70.1	0	0	112	L407 L410 W444 Y448 W450 I708 T709 Y714 W715 I716	L407-M712 HydrophobicContact CD2-CE 3.97Å; L410-M712 HydrophobicContact CD2-CE 3.74Å; L410-M712 HydrophobicContact CD2-SD 3.31Å; L410-M712 WeakPolarHBondContact CD2-SD 3.27Å; W444-M712 HydrophobicContact CZ2-CG 3.88Å; W444-M712 HydrophobicContact CZ2-SD 3.51Å; W444-M712 VanDerWaalsContact CZ2-SD 3.51Å; Y448-M712 HydrophobicContact CE1-CG 3.91Å; W450-M712 HydrophobicContact CB-CE 4.23Å; W450-M712 HydrophobicContact CD2-CE 3.4Å; W450-M712 VanDerWaalsContact CD2-CE 3.4Å; W450-M712 HydrophobicContact CE3-CB 3.64Å; W450-M712 HydrophobicContact CE3-CE 3.38Å; W450-M712 HydrophobicContact CE3-CG 3.78Å; W450-M712 HydrophobicContact CE3-SD 4.4Å; W450-M712 HydrophobicContact CG-CE 3.78Å; W450-M712 HydrophobicContact CH2-CB 4.08Å; W450-M712 HydrophobicContact CH2-CE 4.48Å; W450-M712 HydrophobicContact CZ3-CB 3.26Å; W450-M712 HydrophobicContact CZ3-CE 3.97Å; W450-M712 HydrophobicContact CZ3-CG 3.96Å; I708-M712 HydrophobicContact CG2-CG 4.05Å; I708-M712 WeakPolarHBondContact O-CB 3.49Å; I708-M712 VanDerWaalsContact O-CG 3.31Å; I708-M712 WeakPolarHBondContact O-CG 3.46Å; I708-M712 PolarHBondContact O-N 3.37Å; T709-M712 PolarHBondContact O-N 2.94Å; M712-Y714 VanDerWaalsContact C-N 3.26Å; M712-Y714 PolarHBondContact O-N 3.02Å; M712-W715 WeakPolarHBondContact O-CB 3.22Å; M712-W715 PolarHBondContact O-N 2.86Å; M712-W715 VanDerWaalsContact O-N 3.08Å; M712-I716 HydrophobicContact CE-CG2 3.75Å; M712-I716 WeakPolarHBondContact O-CG1 3.31Å; M712-I716 PolarHBondContact O-N 2.87Å
713	I	98.6	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-42.2	175.6	-70.8	165.5	0	0	0	110.8	L457 F500 F501 A539 T709 Q710 V711 T717	L457-I713 HydrophobicContact CD1-CD1 4.44Å; L457-I713 HydrophobicContact CD1-CG1 4.47Å; L457-I713 HydrophobicContact CD2-CD1 4.41Å; F500-I713 HydrophobicContact CE1-CD1 4.36Å; F500-I713 HydrophobicContact CE1-CG2 4.38Å; F500-I713 HydrophobicContact CZ-CD1 4.16Å; F501-I713 HydrophobicContact CB-CD1 3.52Å; F501-I713 HydrophobicContact CD1-CD1 4.5Å; F501-I713 HydrophobicContact CG-CD1 3.97Å; A539-I713 HydrophobicContact CB-CG2 3.67Å; T709-I713 HydrophobicContact CG2-CD1 4.37Å; T709-I713 WeakPolarHBondContact O-CG1 3.28Å; T709-I713 PolarHBondContact O-N 3.25Å; Q710-I713 PolarHBondContact O-N 2.9Å; V711-I713 VanDerWaalsContact C-N 3.33Å; V711-I713 PolarHBondContact O-N 2.85Å; I713-T717 WeakPolarHBondContact O-CB 3.46Å; I713-T717 VanDerWaalsContact O-CG2 3.27Å; I713-T717 WeakPolarHBondContact O-CG2 3.45Å; I713-T717 PolarHBondContact O-N 2.94Å; I713-T717 PolarHBondContact O-OG1 3.32Å
714	Y	98.5	Very high	97.9	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-40.1	175	-85	-108.9	0	0	0	112.4	P497 S498 Y538 I679 Q710 V711 M712 K718 C719 S723	P497-Y714 VanDerWaalsContact C-OH 3.29Å; P497-Y714 WeakPolarHBondContact O-CE2 3.28Å; P497-Y714 PolarHBondContact O-OH 2.89Å; S498-Y714 WeakPolarHBondContact O-CE2 3.13Å; S498-Y714 PolarHBondContact O-OH 2.94Å; Y538-Y714 WeakPolarHBondContact CD1-OH 3.04Å; Y538-Y714 WeakPolarHBondContact CE1-OH 3.18Å; I679-Y714 HydrophobicContact CD1-CD1 3.99Å; I679-Y714 HydrophobicContact CD1-CD2 4.04Å; I679-Y714 HydrophobicContact CD1-CE1 4.46Å; I679-Y714 HydrophobicContact CD1-CG 3.75Å; Q710-Y714 VanDerWaalsContact NE2-CE2 3.3Å; V711-Y714 WeakPolarHBondContact O-CB 3.37Å; V711-Y714 PolarHBondContact O-N 3.32Å; V711-Y714 VanDerWaalsContact O-N 3.11Å; M712-Y714 VanDerWaalsContact C-N 3.26Å; M712-Y714 PolarHBondContact O-N 3.02Å; Y714-K718 WeakPolarHBondContact O-CA 3.38Å; Y714-K718 PolarHBondContact O-N 3.4Å; Y714-C719 PolarHBondContact O-N 2.88Å; Y714-S723 WeakPolarHBondContact CE1-OG 3.45Å
715	W	97.9	Very high	97.9	Very high	21 Å²	21	19.2 Å²	19.2	8%	0.08	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-57	180	179.2	-104.4	0	0	0	112.1	L410 I669 P672 L675 V711 M712 T717 K718	L410-W715 HydrophobicContact CD1-CD2 4.35Å; L410-W715 HydrophobicContact CD1-CG 4.44Å; L410-W715 HydrophobicContact CD1-CZ2 4.35Å; I669-W715 WeakPolarHBondContact O-CH2 3.06Å; I669-W715 VanDerWaalsContact O-CZ3 3.22Å; I669-W715 WeakPolarHBondContact O-CZ3 3.44Å; P672-W715 HydrophobicContact CB-CD2 4.06Å; P672-W715 HydrophobicContact CB-CE3 3.8Å; P672-W715 HydrophobicContact CB-CH2 4.11Å; P672-W715 HydrophobicContact CB-CZ2 4.33Å; P672-W715 HydrophobicContact CB-CZ3 3.83Å; P672-W715 HydrophobicContact CG-CH2 4.13Å; P672-W715 HydrophobicContact CG-CZ2 4.4Å; P672-W715 HydrophobicContact CG-CZ3 4.26Å; L675-W715 HydrophobicContact CD2-CB 3.99Å; L675-W715 HydrophobicContact CD2-CE3 4.15Å; V711-W715 PolarHBondContact O-N 3.46Å; M712-W715 WeakPolarHBondContact O-CB 3.22Å; M712-W715 PolarHBondContact O-N 2.86Å; M712-W715 VanDerWaalsContact O-N 3.08Å; W715-T717 VanDerWaalsContact C-N 3.31Å; W715-T717 PolarHBondContact O-N 2.74Å; W715-K718 WeakPolarHBondContact O-CG 3.11Å; W715-K718 PolarHBondContact O-N 2.89Å
716	I	97.6	Very high	97.8	Very high	21 Å²	21	16.3 Å²	16.3	11%	0.108	8%	0.077	C	C	.	.	H	α-helix	trans	-66.7	-32.7	-175.4	58.5	124	0	0	0	112.3	V402 W450 F540 M712	V402-I716 HydrophobicContact CG1-CG2 4.1Å; V402-I716 HydrophobicContact CG2-CB 4.12Å; V402-I716 HydrophobicContact CG2-CD1 3.86Å; V402-I716 HydrophobicContact CG2-CG1 4.42Å; V402-I716 HydrophobicContact CG2-CG2 3.99Å; W450-I716 HydrophobicContact CH2-CD1 4.14Å; W450-I716 HydrophobicContact CH2-CG1 4.18Å; W450-I716 HydrophobicContact CZ2-CD1 4Å; W450-I716 HydrophobicContact CZ2-CG1 4.26Å; W450-I716 HydrophobicContact CZ2-CG2 4.38Å; F540-I716 HydrophobicContact CE1-CD1 3.69Å; F540-I716 HydrophobicContact CZ-CD1 3.65Å; M712-I716 HydrophobicContact CE-CG2 3.75Å; M712-I716 WeakPolarHBondContact O-CG1 3.31Å; M712-I716 PolarHBondContact O-N 2.87Å
717	T	97.5	Very high	97.7	Very high	36 Å²	36	15.6 Å²	15.6	22%	0.221	7%	0.073	C	C	.	.	H	α-helix	trans	-88.2	-10.5	178.4	64.6	0	0	0	0	113.4	A539 F540 I713 W715 C719	A539-T717 VanDerWaalsContact O-CB 3.23Å; A539-T717 WeakPolarHBondContact O-CB 3.41Å; A539-T717 WeakPolarHBondContact O-CG2 3.49Å; F540-T717 HydrophobicContact CD1-CG2 3.65Å; F540-T717 HydrophobicContact CE1-CG2 3.5Å; F540-T717 HydrophobicContact CG-CG2 4.25Å; F540-T717 HydrophobicContact CZ-CG2 3.97Å; I713-T717 WeakPolarHBondContact O-CB 3.46Å; I713-T717 VanDerWaalsContact O-CG2 3.27Å; I713-T717 WeakPolarHBondContact O-CG2 3.45Å; I713-T717 PolarHBondContact O-N 2.94Å; I713-T717 PolarHBondContact O-OG1 3.32Å; W715-T717 VanDerWaalsContact C-N 3.31Å; W715-T717 PolarHBondContact O-N 2.74Å; T717-C719 PolarHBondContact O-N 3.32Å; T717-C719 VanDerWaalsContact O-N 3.09Å; T717-C719 WeakPolarHBondContact OG1-CB 3.19Å; T717-C719 PolarHBondContact OG1-SG 3.32Å
718	K	97.3	Very high	97.7	Very high	121 Å²	121	18.3 Å²	18.3	53%	0.526	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	31.2	-177	-57.6	170.3	-174.3	162	0	111.9	E406 I669 Y714 W715 T720 P721	E406-K718 IonicContact OE1-NZ 3.77Å; I669-K718 HydrophobicContact CG2-CB 4.35Å; Y714-K718 WeakPolarHBondContact O-CA 3.38Å; Y714-K718 PolarHBondContact O-N 3.4Å; W715-K718 WeakPolarHBondContact O-CG 3.11Å; W715-K718 PolarHBondContact O-N 2.89Å; K718-T720 VanDerWaalsContact C-N 3.29Å; K718-T720 PolarHBondContact O-N 3.33Å; K718-P721 WeakPolarHBondContact O-CD 2.96Å
719	C	97.6	Very high	97.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.02	9%	0.091	C	C	.	.			trans	-83.6	-1.9	-170.5	76.2	0	0	0	0	113.5	G537 A539 Y714 T717 S722 S723	G537-C719 WeakPolarHBondContact O-CB 3.32Å; A539-C719 PolarHBondContact N-SG 3.43Å; Y714-C719 PolarHBondContact O-N 2.88Å; T717-C719 PolarHBondContact O-N 3.32Å; T717-C719 VanDerWaalsContact O-N 3.09Å; T717-C719 WeakPolarHBondContact OG1-CB 3.19Å; T717-C719 PolarHBondContact OG1-SG 3.32Å; C719-S722 PolarHBondContact O-N 3.43Å; C719-S722 VanDerWaalsContact O-N 3.16Å; C719-S722 PolarHBondContact O-OG 3.42Å; C719-S723 WeakPolarHBondContact O-CB 3.42Å; C719-S723 PolarHBondContact O-N 2.9Å; C719-S723 PolarHBondContact O-OG 2.9Å; C719-S723 VanDerWaalsContact O-OG 3.13Å
720	T	97.1	Very high	97.4	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-53.5	-48.3	-176.5	-46	0	0	0	0	113.8	M668 L675 K718 S722 S723 M724	M668-T720 HydrophobicContact CB-CG2 3.68Å; M668-T720 HydrophobicContact CG-CG2 4.18Å; L675-T720 HydrophobicContact CD1-CG2 3.89Å; L675-T720 WeakPolarHBondContact CD1-OG1 3.07Å; K718-T720 VanDerWaalsContact C-N 3.29Å; K718-T720 PolarHBondContact O-N 3.33Å; T720-S722 PolarHBondContact O-N 3.45Å; T720-S723 WeakPolarHBondContact CA-OG 3.45Å; T720-S723 PolarHBondContact O-OG 2.96Å; T720-M724 HydrophobicContact CG2-CE 3.46Å; T720-M724 VanDerWaalsContact CG2-CE 3.46Å; T720-M724 HydrophobicContact CG2-SD 4.06Å; T720-M724 WeakPolarHBondContact O-CG 3.47Å; T720-M724 PolarHBondContact O-N 2.96Å
721	P	97.2	Very high	97.1	Very high	15 Å²	15	25.6 Å²	25.6	10%	0.097	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177.9	-17.5	30.4	0	0	0	111.9	I669 K718 M724 R725	I669-P721 HydrophobicContact CD1-CG 4.45Å; I669-P721 HydrophobicContact CG2-CG 4.08Å; K718-P721 WeakPolarHBondContact O-CD 2.96Å; P721-M724 PolarHBondContact O-N 3.34Å; P721-R725 WeakPolarHBondContact O-CG 3.25Å; P721-R725 PolarHBondContact O-N 3.2Å
722	S	97.9	Very high	96.8	Very high	13 Å²	13	29.4 Å²	29.4	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-71.4	-36.4	-177	48	0	0	0	0	113	G537 C719 T720 M724 R725	G537-S722 CarbonylContact O-C 3.31Å; G537-S722 WeakPolarHBondContact O-CB 3.42Å; G537-S722 PolarHBondContact O-OG 3.18Å; C719-S722 PolarHBondContact O-N 3.43Å; C719-S722 VanDerWaalsContact O-N 3.16Å; C719-S722 PolarHBondContact O-OG 3.42Å; T720-S722 PolarHBondContact O-N 3.45Å; S722-M724 VanDerWaalsContact C-N 3.27Å; S722-M724 PolarHBondContact O-N 2.86Å; S722-R725 WeakPolarHBondContact O-CB 3.37Å; S722-R725 PolarHBondContact O-N 3.38Å
723	S	97.7	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-35.9	174.7	60.3	0	0	0	0	111.7	G537 Y538 Y714 C719 T720 R725 Y726	G537-S723 PolarHBondContact O-N 2.9Å; Y538-S723 VanDerWaalsContact CE1-CB 3.48Å; Y538-S723 VanDerWaalsContact CE2-CA 3.45Å; Y538-S723 VanDerWaalsContact CZ-CB 3.47Å; Y538-S723 PolarHBondContact OH-O 3.11Å; Y714-S723 WeakPolarHBondContact CE1-OG 3.45Å; C719-S723 WeakPolarHBondContact O-CB 3.42Å; C719-S723 PolarHBondContact O-N 2.9Å; C719-S723 PolarHBondContact O-OG 2.9Å; C719-S723 VanDerWaalsContact O-OG 3.13Å; T720-S723 WeakPolarHBondContact CA-OG 3.45Å; T720-S723 PolarHBondContact O-OG 2.96Å; S723-R725 VanDerWaalsContact C-N 3.32Å; S723-R725 PolarHBondContact O-N 3.34Å; S723-Y726 WeakPolarHBondContact O-CB 3.48Å; S723-Y726 PolarHBondContact O-N 3.01Å
724	M	97.4	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-23.3	179.6	-67	172.7	171.2	0	0	113	Q657 P661 I664 Y678 T720 P721 S722 Y726 Y727	Q657-M724 HydrophobicContact CB-CB 4.13Å; Q657-M724 HydrophobicContact CB-CG 4.49Å; Q657-M724 HydrophobicContact CG-CB 3.84Å; Q657-M724 HydrophobicContact CG-CE 4.47Å; Q657-M724 HydrophobicContact CG-CG 3.68Å; Q657-M724 HydrophobicContact CG-SD 4Å; P661-M724 HydrophobicContact CB-CB 3.6Å; I664-M724 HydrophobicContact CG2-SD 3.71Å; Y678-M724 HydrophobicContact CD1-CE 4.03Å; Y678-M724 HydrophobicContact CE1-CE 3.48Å; Y678-M724 VanDerWaalsContact CE1-CE 3.48Å; T720-M724 HydrophobicContact CG2-CE 3.46Å; T720-M724 VanDerWaalsContact CG2-CE 3.46Å; T720-M724 HydrophobicContact CG2-SD 4.06Å; T720-M724 WeakPolarHBondContact O-CG 3.47Å; T720-M724 PolarHBondContact O-N 2.96Å; P721-M724 PolarHBondContact O-N 3.34Å; S722-M724 VanDerWaalsContact C-N 3.27Å; S722-M724 PolarHBondContact O-N 2.86Å; M724-Y726 PolarHBondContact O-N 2.76Å; M724-Y726 VanDerWaalsContact O-N 3.15Å; M724-Y727 PolarHBondContact O-N 3.14Å
725	R	97.4	Very high	95.4	Very high	77 Å²	77	43 Å²	43	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-61.5	-22.6	177.2	-69.3	171.4	-170.2	170.2	2	112.6	P544 P661 D662 P721 S722 S723 Y727 K728 E729	P544-R725 PolarHBondContact O-NH1 3.14Å; P661-R725 HydrophobicContact CB-CG 4.23Å; P661-R725 HydrophobicContact CG-CG 3.96Å; D662-R725 IonicContact OD1-CZ 3.62Å; D662-R725 VanDerWaalsContact OD1-CZ 3.28Å; D662-R725 IonicContact OD1-NE 2.73Å; D662-R725 PolarHBondContact OD1-NE 3.29Å; D662-R725 IonicContact OD1-NH2 2.76Å; D662-R725 PolarHBondContact OD1-NH2 3.36Å; D662-R725 IonicContact OD2-NE 3.69Å; D662-R725 IonicContact OD2-NH2 3.98Å; P721-R725 WeakPolarHBondContact O-CG 3.25Å; P721-R725 PolarHBondContact O-N 3.2Å; S722-R725 WeakPolarHBondContact O-CB 3.37Å; S722-R725 PolarHBondContact O-N 3.38Å; S723-R725 VanDerWaalsContact C-N 3.32Å; S723-R725 PolarHBondContact O-N 3.34Å; R725-Y727 PolarHBondContact O-N 2.9Å; R725-K728 WeakPolarHBondContact O-CA 3.39Å; R725-K728 WeakPolarHBondContact O-CB 3.3Å; R725-K728 PolarHBondContact O-N 3.46Å; R725-E729 WeakPolarHBondContact O-CG 3.33Å; R725-E729 PolarHBondContact O-N 3.15Å
726	Y	94.9	Very high	94.9	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-54.1	-41.5	175	-118.5	-116.7	0	0	0	112.7	L535 Y538 T551 T554 W577 V581 S723 M724 E729 F730	L535-Y726 HydrophobicContact CD1-CE1 4.36Å; Y538-Y726 HydrophobicContact CE2-CD2 4.09Å; Y538-Y726 HydrophobicContact CE2-CE2 4.5Å; Y538-Y726 HydrophobicContact CE2-CG 4.31Å; T551-Y726 HydrophobicContact CG2-CD1 3.96Å; T551-Y726 HydrophobicContact CG2-CE1 3.59Å; T554-Y726 WeakPolarHBondContact CB-OH 3.44Å; T554-Y726 WeakPolarHBondContact CG2-OH 3.49Å; T554-Y726 PolarHBondContact OG1-OH 3Å; W577-Y726 HydrophobicContact CB-CD1 4.15Å; W577-Y726 HydrophobicContact CB-CE1 4.18Å; W577-Y726 AromaticContact CD2-CD1 3.69Å; W577-Y726 HydrophobicContact CD2-CD1 3.69Å; W577-Y726 HydrophobicContact CD2-CE1 4.42Å; W577-Y726 HydrophobicContact CE3-CD1 4.05Å; W577-Y726 AromaticContact CG-CD1 3.73Å; W577-Y726 HydrophobicContact CG-CD1 3.73Å; W577-Y726 HydrophobicContact CG-CE1 4.25Å; V581-Y726 HydrophobicContact CG2-CE1 4.37Å; S723-Y726 WeakPolarHBondContact O-CB 3.48Å; S723-Y726 PolarHBondContact O-N 3.01Å; M724-Y726 PolarHBondContact O-N 2.76Å; M724-Y726 VanDerWaalsContact O-N 3.15Å; Y726-E729 PolarHBondContact O-N 3.31Å; Y726-F730 WeakPolarHBondContact O-CB 3.41Å; Y726-F730 PolarHBondContact O-N 3.11Å
727	Y	97.2	Very high	94.4	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-48.6	174.5	-66.3	-94.8	0	0	0	110.8	W496 W577 Y653 M654 Q657 M724 R725 E729 F730 F731	W496-Y727 HydrophobicContact CB-CE2 4.32Å; W496-Y727 HydrophobicContact CD2-CE2 4.23Å; W496-Y727 VanDerWaalsContact CE3-OH 3.29Å; W496-Y727 HydrophobicContact CG-CE2 4.12Å; W577-Y727 AromaticContact CE2-CE2 3.93Å; W577-Y727 AromaticContact CE2-CZ 3.81Å; W577-Y727 HydrophobicContact CH2-CD1 4.33Å; W577-Y727 AromaticContact CZ2-CD1 3.51Å; W577-Y727 HydrophobicContact CZ2-CD1 3.51Å; W577-Y727 AromaticContact CZ2-CD2 3.93Å; W577-Y727 HydrophobicContact CZ2-CD2 3.93Å; W577-Y727 AromaticContact CZ2-CE1 3.53Å; W577-Y727 HydrophobicContact CZ2-CE1 3.53Å; W577-Y727 AromaticContact CZ2-CE2 3.94Å; W577-Y727 HydrophobicContact CZ2-CE2 3.94Å; W577-Y727 AromaticContact CZ2-CG 3.7Å; W577-Y727 HydrophobicContact CZ2-CG 3.7Å; W577-Y727 AromaticContact CZ2-CZ 3.74Å; W577-Y727 AromaticContact NE1-CD2 3.98Å; W577-Y727 AromaticContact NE1-CE2 3.3Å; W577-Y727 VanDerWaalsContact NE1-CE2 3.3Å; W577-Y727 AromaticContact NE1-CZ 3.34Å; W577-Y727 VanDerWaalsContact NE1-CZ 3.34Å; W577-Y727 PolarHBondContact NE1-OH 3.45Å; Y653-Y727 AromaticContact CE2-CE1 3.89Å; Y653-Y727 HydrophobicContact CE2-CE1 3.89Å; Y653-Y727 AromaticContact CE2-CZ 3.84Å; M654-Y727 HydrophobicContact CB-CD1 4.43Å; M654-Y727 HydrophobicContact CB-CE1 4.4Å; M654-Y727 HydrophobicContact CG-CD1 3.69Å; M654-Y727 HydrophobicContact CG-CE1 3.9Å; Q657-Y727 HydrophobicContact CB-CD2 3.79Å; Q657-Y727 HydrophobicContact CB-CG 3.82Å; M724-Y727 PolarHBondContact O-N 3.14Å; R725-Y727 PolarHBondContact O-N 2.9Å; Y727-E729 PolarHBondContact O-N 3.16Å; Y727-F730 PolarHBondContact O-N 3.48Å; Y727-F731 WeakPolarHBondContact O-CD2 3.12Å; Y727-F731 PolarHBondContact O-N 2.92Å
728	K	97.4	Very high	94	Very high	58 Å²	58	45.1 Å²	45.1	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-48.8	178.5	179.5	61.3	178.2	146.9	0	111.9	A658 P661 R725 D732	A658-K728 WeakPolarHBondContact O-CD 3.49Å; P661-K728 HydrophobicContact CG-CB 4Å; P661-K728 HydrophobicContact CG-CG 4.47Å; R725-K728 WeakPolarHBondContact O-CA 3.39Å; R725-K728 WeakPolarHBondContact O-CB 3.3Å; R725-K728 PolarHBondContact O-N 3.46Å; K728-D732 WeakPolarHBondContact CE-OD2 3.46Å; K728-D732 IonicContact NZ-OD1 3.79Å; K728-D732 PolarHBondContact NZ-OD1 3.17Å; K728-D732 IonicContact NZ-OD2 2.75Å; K728-D732 PolarHBondContact NZ-OD2 3.44Å; K728-D732 WeakPolarHBondContact O-CB 3.34Å; K728-D732 PolarHBondContact O-N 3.18Å
729	E	96.4	Very high	93.8	Very high	28 Å²	28	39.7 Å²	39.7	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-36.3	-179.4	-65.7	-60.9	158	0	0	112.1	G548 R725 Y726 Y727 N733	G548-E729 VanDerWaalsContact CA-OE2 3.25Å; G548-E729 WeakPolarHBondContact CA-OE2 3.09Å; G548-E729 PolarHBondContact N-OE2 3.25Å; R725-E729 WeakPolarHBondContact O-CG 3.33Å; R725-E729 PolarHBondContact O-N 3.15Å; Y726-E729 PolarHBondContact O-N 3.31Å; Y727-E729 PolarHBondContact O-N 3.16Å; E729-N733 WeakPolarHBondContact O-CB 3.38Å; E729-N733 PolarHBondContact O-N 2.9Å; E729-N733 VanDerWaalsContact O-N 3.13Å
730	F	94.5	Very high	93.5	Very high	22 Å²	22	40.5 Å²	40.5	10%	0.096	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-48.3	176.5	178.8	-93.8	0	0	0	112.5	T551 W577 V580 Y726 Y727 H736	T551-F730 HydrophobicContact CG2-CD2 4.29Å; W577-F730 HydrophobicContact CE3-CD2 4.43Å; W577-F730 HydrophobicContact CH2-CB 3.77Å; W577-F730 AromaticContact CH2-CD1 3.97Å; W577-F730 HydrophobicContact CH2-CD1 3.97Å; W577-F730 AromaticContact CH2-CD2 3.77Å; W577-F730 HydrophobicContact CH2-CD2 3.77Å; W577-F730 HydrophobicContact CH2-CE1 4.36Å; W577-F730 HydrophobicContact CH2-CE2 4.1Å; W577-F730 AromaticContact CH2-CG 3.61Å; W577-F730 HydrophobicContact CH2-CG 3.61Å; W577-F730 HydrophobicContact CH2-CZ 4.35Å; W577-F730 HydrophobicContact CZ3-CB 4.11Å; W577-F730 HydrophobicContact CZ3-CD1 4.32Å; W577-F730 AromaticContact CZ3-CD2 3.33Å; W577-F730 HydrophobicContact CZ3-CD2 3.33Å; W577-F730 HydrophobicContact CZ3-CE1 4.49Å; W577-F730 AromaticContact CZ3-CE2 3.48Å; W577-F730 HydrophobicContact CZ3-CE2 3.48Å; W577-F730 VanDerWaalsContact CZ3-CE2 3.48Å; W577-F730 AromaticContact CZ3-CG 3.72Å; W577-F730 HydrophobicContact CZ3-CG 3.72Å; W577-F730 HydrophobicContact CZ3-CZ 4.05Å; V580-F730 HydrophobicContact CG1-CE2 4.06Å; Y726-F730 WeakPolarHBondContact O-CB 3.41Å; Y726-F730 PolarHBondContact O-N 3.11Å; Y727-F730 PolarHBondContact O-N 3.48Å; F730-H736 AromaticContact CD2-CE1 3.6Å; F730-H736 AromaticContact CD2-ND1 3.57Å; F730-H736 AromaticContact CD2-NE2 4Å; F730-H736 AromaticContact CE1-CD2 3.61Å; F730-H736 AromaticContact CE1-CE1 3.81Å; F730-H736 AromaticContact CE1-NE2 3.26Å; F730-H736 VanDerWaalsContact CE1-NE2 3.26Å; F730-H736 WeakPolarHBondContact CE1-NE2 3.14Å; F730-H736 AromaticContact CE2-CD2 3.89Å; F730-H736 AromaticContact CE2-CE1 2.81Å; F730-H736 WeakPolarHBondContact CE2-CE1 3.19Å; F730-H736 AromaticContact CE2-CG 3.94Å; F730-H736 AromaticContact CE2-ND1 3.28Å; F730-H736 VanDerWaalsContact CE2-ND1 3.28Å; F730-H736 WeakPolarHBondContact CE2-ND1 3.32Å; F730-H736 AromaticContact CE2-NE2 3.23Å; F730-H736 WeakPolarHBondContact CE2-NE2 3.5Å; F730-H736 AromaticContact CZ-CD2 3.61Å; F730-H736 AromaticContact CZ-CE1 2.98Å; F730-H736 WeakPolarHBondContact CZ-CE1 3.34Å; F730-H736 AromaticContact CZ-ND1 3.78Å; F730-H736 AromaticContact CZ-NE2 2.82Å; F730-H736 WeakPolarHBondContact CZ-NE2 3.21Å
731	F	92.3	Very high	93.2	Very high	110 Å²	110	42.2 Å²	42.2	48%	0.482	21%	0.205	S	C	.	.	H	α-helix	trans	-77	-22.8	-178.4	-72.7	-70.9	0	0	0	113.7	M654 A658 Y727	M654-F731 HydrophobicContact CE-CZ 4.43Å; M654-F731 HydrophobicContact CG-CE2 4.16Å; M654-F731 HydrophobicContact CG-CZ 4.46Å; M654-F731 HydrophobicContact SD-CE2 4.27Å; M654-F731 HydrophobicContact SD-CZ 4.01Å; A658-F731 HydrophobicContact CB-CD2 3.43Å; A658-F731 VanDerWaalsContact CB-CD2 3.43Å; A658-F731 HydrophobicContact CB-CE2 3.88Å; A658-F731 HydrophobicContact CB-CG 4.3Å; Y727-F731 WeakPolarHBondContact O-CD2 3.12Å; Y727-F731 PolarHBondContact O-N 2.92Å
732	D	92.3	Very high	93	Very high	79 Å²	79	41.5 Å²	41.5	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-84.6	-19.8	174.9	-77.8	-2.1	0	0	0	113.2	K728 K734	K728-D732 WeakPolarHBondContact CE-OD2 3.46Å; K728-D732 IonicContact NZ-OD1 3.79Å; K728-D732 PolarHBondContact NZ-OD1 3.17Å; K728-D732 IonicContact NZ-OD2 2.75Å; K728-D732 PolarHBondContact NZ-OD2 3.44Å; K728-D732 WeakPolarHBondContact O-CB 3.34Å; K728-D732 PolarHBondContact O-N 3.18Å; D732-K734 PolarHBondContact O-N 3.27Å
733	N	89.1	Confident	92.8	Very high	43 Å²	43	41.5 Å²	41.5	23%	0.23	20%	0.2	C	C	.	.			trans	-79.7	115.1	-176.1	-171	-24.8	0	0	0	112.7	E729 N735 H736	E729-N733 WeakPolarHBondContact O-CB 3.38Å; E729-N733 PolarHBondContact O-N 2.9Å; E729-N733 VanDerWaalsContact O-N 3.13Å; N733-N735 PolarHBondContact O-N 3.2Å; N733-N735 WeakPolarHBondContact OD1-CB 3.34Å; N733-N735 PolarHBondContact OD1-N 3.15Å; N733-H736 WeakPolarHBondContact O-CB 3.4Å; N733-H736 PolarHBondContact O-N 3.49Å
734	K	87.1	Confident	92.8	Very high	184 Å²	184	41.5 Å²	41.5	80%	0.8	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26	-179.4	-61.6	179.2	-176.4	175.5	0	114.3	D732 H736	D732-K734 PolarHBondContact O-N 3.27Å; K734-H736 PolarHBondContact O-N 3.25Å
735	N	90.3	Very high	92.8	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.1	178.9	-66.4	-23.4	0	0	0	112.2	P376 L552 N733 S737 V738 L739	P376-N735 HydrophobicContact CB-CB 4Å; P376-N735 HydrophobicContact CG-CB 4.15Å; L552-N735 HydrophobicContact CD2-CB 4.22Å; N733-N735 PolarHBondContact O-N 3.2Å; N733-N735 WeakPolarHBondContact OD1-CB 3.34Å; N733-N735 PolarHBondContact OD1-N 3.15Å; N735-S737 PolarHBondContact O-N 2.91Å; N735-V738 WeakPolarHBondContact O-CB 3.06Å; N735-V738 PolarHBondContact O-N 3.12Å; N735-V738 VanDerWaalsContact O-N 3.16Å; N735-L739 WeakPolarHBondContact O-CG 3.37Å; N735-L739 PolarHBondContact O-N 2.78Å
736	H	86.3	Confident	92.8	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.093	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-42.2	-173.7	-176.6	52.3	0	0	0	112.7	F730 N733 K734 V738 L739 L740	F730-H736 AromaticContact CD2-CE1 3.6Å; F730-H736 AromaticContact CD2-ND1 3.57Å; F730-H736 AromaticContact CD2-NE2 4Å; F730-H736 AromaticContact CE1-CD2 3.61Å; F730-H736 AromaticContact CE1-CE1 3.81Å; F730-H736 AromaticContact CE1-NE2 3.26Å; F730-H736 VanDerWaalsContact CE1-NE2 3.26Å; F730-H736 WeakPolarHBondContact CE1-NE2 3.14Å; F730-H736 AromaticContact CE2-CD2 3.89Å; F730-H736 AromaticContact CE2-CE1 2.81Å; F730-H736 WeakPolarHBondContact CE2-CE1 3.19Å; F730-H736 AromaticContact CE2-CG 3.94Å; F730-H736 AromaticContact CE2-ND1 3.28Å; F730-H736 VanDerWaalsContact CE2-ND1 3.28Å; F730-H736 WeakPolarHBondContact CE2-ND1 3.32Å; F730-H736 AromaticContact CE2-NE2 3.23Å; F730-H736 WeakPolarHBondContact CE2-NE2 3.5Å; F730-H736 AromaticContact CZ-CD2 3.61Å; F730-H736 AromaticContact CZ-CE1 2.98Å; F730-H736 WeakPolarHBondContact CZ-CE1 3.34Å; F730-H736 AromaticContact CZ-ND1 3.78Å; F730-H736 AromaticContact CZ-NE2 2.82Å; F730-H736 WeakPolarHBondContact CZ-NE2 3.21Å; N733-H736 WeakPolarHBondContact O-CB 3.4Å; N733-H736 PolarHBondContact O-N 3.49Å; K734-H736 PolarHBondContact O-N 3.25Å; H736-V738 PolarHBondContact O-N 3.23Å; H736-L739 PolarHBondContact O-N 3.17Å; H736-L740 WeakPolarHBondContact CE1-CG 3.14Å; H736-L740 WeakPolarHBondContact NE2-CD1 3.45Å; H736-L740 WeakPolarHBondContact NE2-CG 3.38Å; H736-L740 WeakPolarHBondContact O-CG 3.34Å; H736-L740 PolarHBondContact O-N 3.06Å
737	S	86.6	Confident	93	Very high	62 Å²	62	46.5 Å²	46.5	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-31.2	176.9	58	0	0	0	0	113.1	N735	N735-S737 PolarHBondContact O-N 2.91Å
738	V	90.4	Very high	93	Very high	42 Å²	42	46.3 Å²	46.3	26%	0.255	23%	0.225	S	C	.	.	H	α-helix	trans	-69.9	-51.2	175.2	170	0	0	0	0	109.9	P373 P374 N735 H736 L740 R741 A742	P373-V738 HydrophobicContact CB-CG1 4.07Å; P373-V738 HydrophobicContact CG-CG1 4.21Å; P374-V738 WeakPolarHBondContact O-CG1 3.37Å; N735-V738 WeakPolarHBondContact O-CB 3.06Å; N735-V738 PolarHBondContact O-N 3.12Å; N735-V738 VanDerWaalsContact O-N 3.16Å; H736-V738 PolarHBondContact O-N 3.23Å; V738-L740 VanDerWaalsContact C-N 3.33Å; V738-L740 PolarHBondContact O-N 3.23Å; V738-R741 PolarHBondContact O-N 3.47Å; V738-R741 VanDerWaalsContact O-N 3.13Å; V738-A742 WeakPolarHBondContact O-CB 3.48Å; V738-A742 PolarHBondContact O-N 3.29Å
739	L	92.9	Very high	93.1	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-34	-179.2	-68.4	168.4	0	0	0	113.3	L375 P376 L552 T584 Q587 L588 N735 H736 R741	L375-L739 HydrophobicContact CD2-CD2 4.19Å; P376-L739 HydrophobicContact CG-CD1 4.42Å; P376-L739 HydrophobicContact CG-CD2 3.97Å; P376-L739 HydrophobicContact CG-CG 4.2Å; L552-L739 HydrophobicContact CB-CD1 4.24Å; L552-L739 HydrophobicContact CD1-CD1 4.05Å; L552-L739 HydrophobicContact CD2-CD1 4.35Å; L552-L739 HydrophobicContact CG-CD1 4.44Å; T584-L739 HydrophobicContact CG2-CD1 4.23Å; T584-L739 HydrophobicContact CG2-CD2 4.28Å; Q587-L739 PolarHBondContact NE2-O 3.46Å; L588-L739 HydrophobicContact CD2-CD2 4.42Å; N735-L739 WeakPolarHBondContact O-CG 3.37Å; N735-L739 PolarHBondContact O-N 2.78Å; H736-L739 PolarHBondContact O-N 3.17Å; L739-R741 VanDerWaalsContact C-N 3.26Å; L739-R741 PolarHBondContact O-N 3.37Å
740	L	91.6	Very high	93.1	Very high	20 Å²	20	42.5 Å²	42.5	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-40.4	173.8	-81.1	177.8	0	0	0	112.3	V602 I604 I607 Y608 H736 V738 K768	V602-L740 HydrophobicContact CG1-CD2 3.65Å; I604-L740 HydrophobicContact CD1-CD1 3.8Å; I607-L740 HydrophobicContact CD1-CB 4Å; Y608-L740 PolarHBondContact OH-O 3.26Å; Y608-L740 VanDerWaalsContact OH-O 3.14Å; H736-L740 WeakPolarHBondContact CE1-CG 3.14Å; H736-L740 WeakPolarHBondContact NE2-CD1 3.45Å; H736-L740 WeakPolarHBondContact NE2-CG 3.38Å; H736-L740 WeakPolarHBondContact O-CG 3.34Å; H736-L740 PolarHBondContact O-N 3.06Å; V738-L740 VanDerWaalsContact C-N 3.33Å; V738-L740 PolarHBondContact O-N 3.23Å; L740-K768 WeakPolarHBondContact O-CE 3.35Å; L740-K768 PolarHBondContact O-NZ 2.96Å
741	R	90.2	Very high	93.2	Very high	40 Å²	40	41.4 Å²	41.4	15%	0.151	20%	0.204	C	C	.	.	H	α-helix	trans	-89	-27.7	-176.5	-173	170.4	165.8	-135.8	-25.6	113.1	W369 N371 P373 I607 V738 L739	W369-R741 VanDerWaalsContact C-NH2 3.27Å; W369-R741 VanDerWaalsContact O-CZ 3.3Å; W369-R741 PolarHBondContact O-NH2 3.41Å; N371-R741 PolarHBondContact O-NH2 2.85Å; P373-R741 HydrophobicContact CG-CB 4.12Å; P373-R741 HydrophobicContact CG-CG 4.21Å; I607-R741 HydrophobicContact CD1-CB 3.88Å; I607-R741 HydrophobicContact CD1-CG 4.45Å; I607-R741 HydrophobicContact CG1-CB 4.29Å; I607-R741 HydrophobicContact CG1-CG 4.33Å; I607-R741 PolarHBondContact O-NE 2.95Å; V738-R741 PolarHBondContact O-N 3.47Å; V738-R741 VanDerWaalsContact O-N 3.13Å; L739-R741 VanDerWaalsContact C-N 3.26Å; L739-R741 PolarHBondContact O-N 3.37Å
742	A	92.7	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-59	140.5	-176	0	0	0	0	0	111.3	P373 L375 Q587 V738	P373-A742 HydrophobicContact CG-CB 4.32Å; L375-A742 HydrophobicContact CD2-CB 3.64Å; Q587-A742 PolarHBondContact NE2-O 3.38Å; V738-A742 WeakPolarHBondContact O-CB 3.48Å; V738-A742 PolarHBondContact O-N 3.29Å
743	P	94.5	Very high	93.4	Very high	13 Å²	13	33 Å²	33	8%	0.084	17%	0.165	C	C	.	.			trans	-73.9	155.6	-176.7	32.8	-39.1	0	0	0	111.9	D372 Y745 K768 K770	D372-P743 HydrophobicContact CB-CG 3.92Å; D372-P743 WeakPolarHBondContact OD2-CG 3.28Å; P743-Y745 HydrophobicContact CB-CE2 3.99Å; P743-Y745 HydrophobicContact CG-CD2 4.45Å; P743-Y745 HydrophobicContact CG-CE2 3.52Å; P743-Y745 WeakPolarHBondContact CG-OH 3.24Å; P743-K768 CarbonylContact C-O 3.52Å; P743-K768 WeakPolarHBondContact CA-O 3.31Å; P743-K770 HydrophobicContact CB-CD 4.38Å; P743-K770 VanDerWaalsContact CB-CE 3.49Å; P743-K770 HydrophobicContact CB-CG 3.91Å
744	V	97.5	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-113.1	124.3	168.8	178.6	0	0	0	0	108.3	T583 A586 Q587 L596 T746 K768 Y769 K770	T583-V744 HydrophobicContact CG2-CG2 3.85Å; A586-V744 HydrophobicContact CB-CG1 3.97Å; Q587-V744 HydrophobicContact CG-CG2 3.78Å; L596-V744 HydrophobicContact CD2-CG1 4.04Å; V744-T746 WeakPolarHBondContact CG1-OG1 3.4Å; V744-K768 PolarHBondContact N-O 3.38Å; V744-Y769 HydrophobicContact CB-CD1 3.68Å; V744-Y769 HydrophobicContact CB-CE1 4.25Å; V744-Y769 HydrophobicContact CG1-CD1 3.99Å; V744-Y769 HydrophobicContact CG2-CD1 3.82Å; V744-Y769 HydrophobicContact CG2-CE1 3.87Å; V744-K770 PolarHBondContact O-N 3.03Å
745	Y	96.8	Very high	93.4	Very high	143 Å²	143	25.9 Å²	25.9	56%	0.561	14%	0.143	S	C	*	.			trans	-103.2	-12.8	-178.8	-64.2	-75.9	0	0	0	113.8	P743 K770 N771	P743-Y745 HydrophobicContact CB-CE2 3.99Å; P743-Y745 HydrophobicContact CG-CD2 4.45Å; P743-Y745 HydrophobicContact CG-CE2 3.52Å; P743-Y745 WeakPolarHBondContact CG-OH 3.24Å; Y745-K770 HydrophobicContact CD1-CB 3.85Å; Y745-K770 HydrophobicContact CD1-CG 3.95Å; Y745-K770 HydrophobicContact CE1-CB 4.06Å; Y745-K770 HydrophobicContact CE1-CG 3.73Å; Y745-N771 VanDerWaalsContact O-CB 3.24Å; Y745-N771 WeakPolarHBondContact O-CB 3.29Å; Y745-N771 PolarHBondContact O-ND2 3.23Å
746	T	97.7	Very high	93.5	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	-64.2	146.3	177.5	57.4	0	0	0	0	110.6	A586 P590 I593 V744 T748	A586-T746 HydrophobicContact CB-CG2 4.08Å; P590-T746 HydrophobicContact CB-CG2 3.93Å; I593-T746 HydrophobicContact CB-CG2 3.78Å; I593-T746 HydrophobicContact CG1-CG2 4.38Å; I593-T746 HydrophobicContact CG2-CG2 3.96Å; V744-T746 WeakPolarHBondContact CG1-OG1 3.4Å; T746-T748 PolarHBondContact O-N 3.28Å; T746-T748 VanDerWaalsContact O-N 3.1Å; T746-T748 PolarHBondContact O-OG1 3Å
747	P	98.3	Very high	93.5	Very high	37 Å²	37	23.7 Å²	23.7	24%	0.24	13%	0.131	C	C	.	.			trans	-51.2	120.8	172.2	-24.3	33.4	0	0	0	110.3	G595 L596 I773 L804	G595-P747 CarbonylContact C-O 3.6Å; G595-P747 WeakPolarHBondContact CA-O 3.45Å; L596-P747 PolarHBondContact N-O 3.22Å; P747-I773 HydrophobicContact CB-CD1 3.95Å; P747-I773 HydrophobicContact CB-CG1 4.39Å; P747-L804 HydrophobicContact CB-CD2 3.68Å; P747-L804 HydrophobicContact CG-CD2 4.38Å
748	T	98.6	Very high	93.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.3	-172.8	-55.9	0	0	0	0	111.2	L596 T746 V750 Y769 N771 L772 I773 H774	L596-T748 HydrophobicContact CB-CG2 4.38Å; L596-T748 HydrophobicContact CD2-CG2 4.28Å; L596-T748 HydrophobicContact CG-CG2 4.31Å; L596-T748 CarbonylContact O-C 3.58Å; L596-T748 WeakPolarHBondContact O-CA 3.49Å; T746-T748 PolarHBondContact O-N 3.28Å; T746-T748 VanDerWaalsContact O-N 3.1Å; T746-T748 PolarHBondContact O-OG1 3Å; T748-V750 HydrophobicContact CG2-CG2 4.47Å; T748-Y769 HydrophobicContact CG2-CD1 3.69Å; T748-Y769 HydrophobicContact CG2-CE1 4.34Å; T748-Y769 HydrophobicContact CG2-CG 3.88Å; T748-N771 PolarHBondContact N-O 2.82Å; T748-L772 HydrophobicContact CG2-CD1 4.09Å; T748-I773 WeakPolarHBondContact O-CG1 3.28Å; T748-I773 PolarHBondContact O-N 3.06Å; T748-H774 PolarHBondContact O-N 3.37Å
749	A	98.3	Very high	93.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.4	166.7	0	0	0	0	0	110.8	L596 H597 L598 H774 F800	L596-A749 PolarHBondContact O-N 3.41Å; H597-A749 WeakPolarHBondContact CA-O 3.43Å; L598-A749 PolarHBondContact N-O 2.76Å; A749-H774 VanDerWaalsContact CA-O 3.3Å; A749-H774 WeakPolarHBondContact CA-O 3.35Å; A749-H774 HydrophobicContact CB-CB 3.77Å; A749-F800 HydrophobicContact CB-CB 4.09Å; A749-F800 HydrophobicContact CB-CD1 4.07Å; A749-F800 HydrophobicContact CB-CD2 3.35Å; A749-F800 HydrophobicContact CB-CE1 4.29Å; A749-F800 HydrophobicContact CB-CE2 3.58Å; A749-F800 HydrophobicContact CB-CG 3.57Å; A749-F800 HydrophobicContact CB-CZ 4.04Å
750	V	97.8	Very high	92.7	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125	172	175.7	0	0	0	0	109.8	L598 V601 T748 L772 H774 Y775 S776	L598-V750 CarbonylContact O-C 3.49Å; L598-V750 VanDerWaalsContact O-CA 3.25Å; L598-V750 WeakPolarHBondContact O-CA 3.35Å; V601-V750 HydrophobicContact CG2-CB 4.37Å; V601-V750 HydrophobicContact CG2-CG1 3.76Å; V601-V750 HydrophobicContact CG2-CG2 3.62Å; T748-V750 HydrophobicContact CG2-CG2 4.47Å; V750-L772 HydrophobicContact CB-CD1 4.3Å; V750-L772 HydrophobicContact CG2-CD1 3.7Å; V750-H774 PolarHBondContact N-O 2.9Å; V750-Y775 HydrophobicContact CB-CD2 3.7Å; V750-Y775 HydrophobicContact CB-CE2 3.99Å; V750-Y775 HydrophobicContact CG1-CD2 3.96Å; V750-Y775 HydrophobicContact CG1-CE2 3.71Å; V750-Y775 HydrophobicContact CG2-CD2 4.45Å; V750-Y775 WeakPolarHBondContact O-CA 3.22Å; V750-S776 PolarHBondContact O-N 2.73Å
751	A	96.9	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	94.5	172.6	0	0	0	0	0	109.1	L598 N599 F753 F778 E796	L598-A751 PolarHBondContact O-N 2.97Å; N599-A751 WeakPolarHBondContact CA-O 3.44Å; N599-A751 HydrophobicContact CB-CB 4.32Å; A751-F753 HydrophobicContact CB-CD2 4.38Å; A751-F753 HydrophobicContact CB-CE2 3.74Å; A751-F753 HydrophobicContact CB-CZ 4.42Å; A751-F753 WeakPolarHBondContact O-CD2 3.26Å; A751-F753 PolarHBondContact O-N 3.49Å; A751-F778 HydrophobicContact CB-CE2 3.93Å; A751-E796 HydrophobicContact CB-CG 4.02Å
752	A	94.2	Very high	92.3	Very high	12 Å²	12	26 Å²	26	10%	0.099	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	95.1	-176.9	0	0	0	0	0	110.9	Y775 S776 E777 F778	A752-Y775 HydrophobicContact CB-CE1 4.21Å; A752-Y775 WeakPolarHBondContact CB-OH 3.31Å; A752-S776 PolarHBondContact N-O 3.2Å; A752-E777 HydrophobicContact CB-CG 4.44Å; A752-E777 WeakPolarHBondContact O-CA 3.44Å; A752-F778 PolarHBondContact O-N 3.38Å
753	F	93.1	Very high	92	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.4	174.7	-65.4	-89	0	0	0	111.2	N599 A751 N755 E756 I759 F778 N780 A785 L792 F793	N599-F753 HydrophobicContact CB-CD2 4.15Å; N599-F753 HydrophobicContact CB-CE2 4.01Å; A751-F753 HydrophobicContact CB-CD2 4.38Å; A751-F753 HydrophobicContact CB-CE2 3.74Å; A751-F753 HydrophobicContact CB-CZ 4.42Å; A751-F753 WeakPolarHBondContact O-CD2 3.26Å; A751-F753 PolarHBondContact O-N 3.49Å; F753-N755 PolarHBondContact O-N 3.43Å; F753-N755 VanDerWaalsContact O-N 3.08Å; F753-E756 WeakPolarHBondContact O-CB 3.32Å; F753-E756 PolarHBondContact O-N 3.32Å; F753-E756 VanDerWaalsContact O-N 3.11Å; F753-I759 VanDerWaalsContact O-CD1 3.3Å; F753-I759 WeakPolarHBondContact O-CD1 3.14Å; F753-F778 HydrophobicContact CD1-CB 3.75Å; F753-F778 AromaticContact CD1-CD2 3.94Å; F753-F778 HydrophobicContact CD1-CD2 3.94Å; F753-F778 HydrophobicContact CD1-CG 4.03Å; F753-F778 HydrophobicContact CD2-CD2 4.45Å; F753-F778 HydrophobicContact CE1-CB 4.08Å; F753-F778 AromaticContact CE1-CD2 3.72Å; F753-F778 HydrophobicContact CE1-CD2 3.72Å; F753-F778 HydrophobicContact CE1-CE2 4.32Å; F753-F778 AromaticContact CE1-CG 3.89Å; F753-F778 HydrophobicContact CE1-CG 3.89Å; F753-F778 HydrophobicContact CE2-CD2 4.25Å; F753-F778 HydrophobicContact CE2-CE2 4.5Å; F753-F778 HydrophobicContact CG-CB 4.43Å; F753-F778 HydrophobicContact CG-CD2 4.29Å; F753-F778 AromaticContact CZ-CD2 3.88Å; F753-F778 HydrophobicContact CZ-CD2 3.88Å; F753-F778 HydrophobicContact CZ-CE2 4.1Å; F753-F778 HydrophobicContact CZ-CG 4.47Å; F753-N780 VanDerWaalsContact CD1-O 3.28Å; F753-N780 WeakPolarHBondContact CD1-O 3.31Å; F753-A785 HydrophobicContact CD1-CB 3.8Å; F753-A785 HydrophobicContact CD2-CB 3.58Å; F753-A785 HydrophobicContact CE1-CB 3.82Å; F753-A785 HydrophobicContact CE2-CB 3.58Å; F753-A785 HydrophobicContact CG-CB 3.71Å; F753-A785 HydrophobicContact CZ-CB 3.71Å; F753-L792 HydrophobicContact CE1-CD2 4.26Å; F753-F793 AromaticContact CE2-CD2 3.8Å; F753-F793 HydrophobicContact CE2-CD2 3.8Å; F753-F793 AromaticContact CE2-CE2 3.8Å; F753-F793 HydrophobicContact CE2-CE2 3.8Å; F753-F793 AromaticContact CZ-CD2 3.68Å; F753-F793 HydrophobicContact CZ-CD2 3.68Å; F753-F793 HydrophobicContact CZ-CE2 4.18Å
754	A	88.3	Confident	91.7	Very high	47 Å²	47	28.6 Å²	28.6	39%	0.388	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	-25	-170.1	0	0	0	0	0	115.4	I759 F778	A754-I759 WeakPolarHBondContact O-CD1 3.27Å; A754-F778 VanDerWaalsContact CB-O 3.23Å; A754-F778 WeakPolarHBondContact CB-O 3.43Å; A754-F778 PolarHBondContact N-O 3.09Å
755	N	89.2	Confident	91.5	Very high	31 Å²	31	28.6 Å²	28.6	17%	0.166	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	16.3	-179.1	-56.9	-79.3	0	0	0	113.5	S687 H688 F753 G781	S687-N755 WeakPolarHBondContact O-CB 3.41Å; H688-N755 PolarHBondContact CD2-ND2 2.9Å; H688-N755 PolarHBondContact CD2-OD1 2.91Å; H688-N755 PolarHBondContact NE2-OD1 2.83Å; F753-N755 PolarHBondContact O-N 3.43Å; F753-N755 VanDerWaalsContact O-N 3.08Å; N755-G781 WeakPolarHBondContact CB-O 3.3Å; N755-G781 PolarHBondContact N-O 3.38Å; N755-G781 PolarHBondContact ND2-O 3.16Å
756	E	90.6	Very high	91.3	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.047	14%	0.136	C	C	.	.			trans	-62.9	149.5	168.9	177.2	56.1	-104.6	0	0	110.7	M600 F753 L758 I759 H783	M600-E756 HydrophobicContact CB-CG 4.43Å; M600-E756 HydrophobicContact CG-CG 4.49Å; F753-E756 WeakPolarHBondContact O-CB 3.32Å; F753-E756 PolarHBondContact O-N 3.32Å; F753-E756 VanDerWaalsContact O-N 3.11Å; E756-L758 VanDerWaalsContact C-N 3.32Å; E756-L758 PolarHBondContact O-N 2.78Å; E756-I759 HydrophobicContact CB-CD1 4.47Å; E756-I759 HydrophobicContact CB-CG1 3.96Å; E756-I759 WeakPolarHBondContact O-CG1 3.01Å; E756-H783 IonicContact OE1-CE1 2.76Å; E756-H783 IonicContact OE1-CG 3.28Å; E756-H783 IonicContact OE1-ND1 3.74Å; E756-H783 PolarHBondContact OE1-ND1 3.04Å; E756-H783 IonicContact OE2-ND1 3.93Å
757	L	87.3	Confident	91	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.126	14%	0.142	C	C	.	.	S	Bend	trans	-64.6	-37.5	-178.8	-57.4	179.4	0	0	0	112.1	F641 W686 H783	F641-L757 VanDerWaalsContact CB-O 3.3Å; F641-L757 WeakPolarHBondContact CB-O 3.32Å; F641-L757 HydrophobicContact CD2-CB 4.36Å; F641-L757 HydrophobicContact CE2-CD2 4.5Å; W686-L757 HydrophobicContact CB-CD2 4Å; W686-L757 HydrophobicContact CD2-CD1 3.8Å; W686-L757 HydrophobicContact CD2-CD2 4.4Å; W686-L757 HydrophobicContact CE3-CD1 4.11Å; W686-L757 HydrophobicContact CG-CD1 4.05Å; W686-L757 HydrophobicContact CG-CD2 3.78Å; W686-L757 HydrophobicContact CG-CG 4.36Å; W686-L757 HydrophobicContact CZ2-CD1 4.49Å; L757-H783 HydrophobicContact CG-CB 4.32Å
758	L	86	Confident	90.8	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.099	13%	0.132	C	C	.	.	S	Bend	trans	-123.7	87.8	-175.3	-64.3	-171.6	0	0	0	111.5	M600 V602 F641 F642 E756 Y760	M600-L758 HydrophobicContact CE-CB 4.47Å; M600-L758 HydrophobicContact CE-CD1 3.4Å; M600-L758 VanDerWaalsContact CE-CD1 3.4Å; M600-L758 HydrophobicContact CE-CG 3.86Å; M600-L758 HydrophobicContact CG-CB 4.36Å; V602-L758 HydrophobicContact CG2-CD1 4.21Å; F641-L758 HydrophobicContact CB-CD2 4.29Å; F641-L758 HydrophobicContact CD1-CD2 3.73Å; F641-L758 HydrophobicContact CE1-CD2 4.36Å; F641-L758 HydrophobicContact CG-CD2 4.2Å; F642-L758 HydrophobicContact CE2-CD2 3.94Å; F642-L758 HydrophobicContact CZ-CD2 4.39Å; E756-L758 VanDerWaalsContact C-N 3.32Å; E756-L758 PolarHBondContact O-N 2.78Å; L758-Y760 HydrophobicContact CB-CE2 3.82Å
759	I	82.6	Confident	90.7	Very high	38 Å²	38	25.4 Å²	25.4	20%	0.195	13%	0.132	C	C	.	.			trans	-100.6	120.7	177.4	-55.9	168.7	0	0	0	109.6	F753 A754 E756	F753-I759 VanDerWaalsContact O-CD1 3.3Å; F753-I759 WeakPolarHBondContact O-CD1 3.14Å; A754-I759 WeakPolarHBondContact O-CD1 3.27Å; E756-I759 HydrophobicContact CB-CD1 4.47Å; E756-I759 HydrophobicContact CB-CG1 3.96Å; E756-I759 WeakPolarHBondContact O-CG1 3.01Å
760	Y	84	Confident	90.5	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.039	15%	0.149	C	C	.	.			trans	-124.4	132.6	177.9	-62.5	-75	0	0	0	110.5	V601 V603 P605 F642 L758 F764 Y775	V601-Y760 HydrophobicContact CB-CD2 4.31Å; V601-Y760 HydrophobicContact CG1-CD2 4.04Å; V601-Y760 WeakPolarHBondContact O-CE2 3.43Å; V603-Y760 HydrophobicContact CB-CD2 4.22Å; V603-Y760 HydrophobicContact CB-CE2 4.27Å; V603-Y760 HydrophobicContact CB-CG 4.37Å; V603-Y760 WeakPolarHBondContact O-CE1 3.2Å; V603-Y760 PolarHBondContact O-OH 3.38Å; P605-Y760 HydrophobicContact CG-CE1 4.29Å; F642-Y760 WeakPolarHBondContact CE2-OH 3.35Å; L758-Y760 HydrophobicContact CB-CE2 3.82Å; Y760-F764 HydrophobicContact CD1-CD1 4.41Å; Y760-Y775 PolarHBondContact O-OH 2.86Å
761	P	84.2	Confident	90.5	Very high	41 Å²	41	32 Å²	32	27%	0.266	16%	0.164	S	C	.	.			trans	-59	152.8	175.4	-20.1	31.5	0	0	0	109.9	P637 N763 F764 A765	P637-P761 HydrophobicContact CB-CG 3.57Å; P637-P761 HydrophobicContact CG-CG 3.74Å; P761-N763 WeakPolarHBondContact CB-OD1 3.49Å; P761-N763 PolarHBondContact O-N 2.77Å; P761-F764 WeakPolarHBondContact O-CB 3.49Å; P761-F764 PolarHBondContact O-N 3.45Å; P761-A765 PolarHBondContact O-N 2.79Å
762	R	89.8	Confident	90.5	Very high	110 Å²	110	32.6 Å²	32.6	42%	0.415	17%	0.167	S	C	.	.	H	α-helix	trans	-44	-46.6	-178.5	-174	-177.9	176	141.6	8.1	113.7	F764 A765 E766 L772 Y775	R762-F764 VanDerWaalsContact C-N 3.28Å; R762-F764 PolarHBondContact O-N 3.22Å; R762-A765 WeakPolarHBondContact O-CB 3.5Å; R762-A765 PolarHBondContact O-N 2.72Å; R762-E766 HydrophobicContact CG-CG 4.35Å; R762-E766 WeakPolarHBondContact CG-OE1 3.47Å; R762-E766 IonicContact CZ-OE1 3.8Å; R762-E766 IonicContact NE-OE1 3.32Å; R762-E766 PolarHBondContact NE-OE1 2.9Å; R762-E766 IonicContact NH2-OE1 3.38Å; R762-E766 VanDerWaalsContact O-CG 3.31Å; R762-E766 WeakPolarHBondContact O-CG 3.5Å; R762-E766 PolarHBondContact O-N 3.32Å; R762-L772 HydrophobicContact CG-CD2 3.71Å; R762-L772 PolarHBondContact NH2-O 3.43Å; R762-Y775 HydrophobicContact CB-CD1 4.18Å; R762-Y775 HydrophobicContact CB-CD2 4.1Å; R762-Y775 HydrophobicContact CB-CE1 4.4Å; R762-Y775 HydrophobicContact CB-CE2 4.34Å; R762-Y775 HydrophobicContact CB-CG 4.04Å; R762-Y775 HydrophobicContact CG-CD2 4.2Å; R762-Y775 HydrophobicContact CG-CG 4.09Å
763	N	86.7	Confident	90.7	Very high	59 Å²	59	34.4 Å²	34.4	32%	0.316	17%	0.174	S	C	.	.	H	α-helix	trans	-67.6	-21.5	-177.4	63.1	-9.2	0	0	0	114.8	K614 P761 Q767	K614-N763 PolarHBondContact NZ-ND2 3.04Å; P761-N763 WeakPolarHBondContact CB-OD1 3.49Å; P761-N763 PolarHBondContact O-N 2.77Å; N763-Q767 PolarHBondContact O-NE2 3.28Å
764	F	88.4	Confident	90.8	Very high	8 Å²	8	35 Å²	35	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-80.7	-44	171.7	-81.4	-134.6	0	0	0	109.6	P605 L611 Y760 P761 R762 E766 Q767	P605-F764 HydrophobicContact CB-CD1 4.13Å; P605-F764 HydrophobicContact CB-CE1 3.82Å; P605-F764 HydrophobicContact CG-CD1 3.85Å; P605-F764 HydrophobicContact CG-CE1 3.78Å; L611-F764 HydrophobicContact CD1-CD1 3.84Å; L611-F764 HydrophobicContact CD1-CD2 4.49Å; L611-F764 HydrophobicContact CD1-CE1 4.07Å; L611-F764 HydrophobicContact CD1-CG 4.07Å; L611-F764 HydrophobicContact CD2-CD2 4.13Å; L611-F764 HydrophobicContact CD2-CE2 4.18Å; L611-F764 HydrophobicContact CD2-CG 4.48Å; Y760-F764 HydrophobicContact CD1-CD1 4.41Å; P761-F764 WeakPolarHBondContact O-CB 3.49Å; P761-F764 PolarHBondContact O-N 3.45Å; R762-F764 VanDerWaalsContact C-N 3.28Å; R762-F764 PolarHBondContact O-N 3.22Å; F764-E766 VanDerWaalsContact C-N 3.29Å; F764-E766 PolarHBondContact O-N 3.48Å; F764-Q767 WeakPolarHBondContact O-CB 3.38Å; F764-Q767 PolarHBondContact O-N 3.21Å; F764-Q767 VanDerWaalsContact O-N 3.1Å
765	A	91.9	Very high	91.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-41.5	173.8	0	0	0	0	0	111.8	P761 R762 Q767 K768 Y769 L772	P761-A765 PolarHBondContact O-N 2.79Å; R762-A765 WeakPolarHBondContact O-CB 3.5Å; R762-A765 PolarHBondContact O-N 2.72Å; A765-Q767 PolarHBondContact O-N 2.89Å; A765-Q767 VanDerWaalsContact O-N 3.11Å; A765-K768 PolarHBondContact O-N 2.96Å; A765-Y769 HydrophobicContact CB-CD2 4.26Å; A765-Y769 VanDerWaalsContact O-CD2 3.27Å; A765-Y769 WeakPolarHBondContact O-CD2 3.46Å; A765-Y769 PolarHBondContact O-N 3.02Å; A765-L772 HydrophobicContact CB-CD2 4.11Å
766	E	93.8	Very high	91.4	Very high	73 Å²	73	34 Å²	34	34%	0.341	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-19.3	176.9	-75.6	170.4	172	0	0	114	R762 F764 K768 Y769 L772	R762-E766 HydrophobicContact CG-CG 4.35Å; R762-E766 WeakPolarHBondContact CG-OE1 3.47Å; R762-E766 IonicContact CZ-OE1 3.8Å; R762-E766 IonicContact NE-OE1 3.32Å; R762-E766 PolarHBondContact NE-OE1 2.9Å; R762-E766 IonicContact NH2-OE1 3.38Å; R762-E766 VanDerWaalsContact O-CG 3.31Å; R762-E766 WeakPolarHBondContact O-CG 3.5Å; R762-E766 PolarHBondContact O-N 3.32Å; F764-E766 VanDerWaalsContact C-N 3.29Å; F764-E766 PolarHBondContact O-N 3.48Å; E766-K768 PolarHBondContact O-N 3.12Å; E766-Y769 WeakPolarHBondContact CA-O 3.43Å; E766-L772 HydrophobicContact CG-CB 4.11Å; E766-L772 HydrophobicContact CG-CD2 3.74Å
767	Q	90.6	Very high	91.6	Very high	36 Å²	36	40.4 Å²	40.4	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-32.4	173	-60.8	-51.4	-52.1	0	0	111.9	Y608 L611 N763 F764 A765 K770	Y608-Q767 HydrophobicContact CD1-CB 3.64Å; Y608-Q767 HydrophobicContact CD2-CB 4.36Å; Y608-Q767 HydrophobicContact CE1-CB 3.97Å; Y608-Q767 HydrophobicContact CG-CB 3.85Å; Y608-Q767 HydrophobicContact CG-CG 4.42Å; L611-Q767 HydrophobicContact CD1-CG 3.99Å; L611-Q767 HydrophobicContact CD2-CG 3.85Å; L611-Q767 HydrophobicContact CG-CG 3.89Å; N763-Q767 PolarHBondContact O-NE2 3.28Å; F764-Q767 WeakPolarHBondContact O-CB 3.38Å; F764-Q767 PolarHBondContact O-N 3.21Å; F764-Q767 VanDerWaalsContact O-N 3.1Å; A765-Q767 PolarHBondContact O-N 2.89Å; A765-Q767 VanDerWaalsContact O-N 3.11Å; Q767-K770 WeakPolarHBondContact O-CE 3.28Å; Q767-K770 PolarHBondContact O-NZ 3.35Å
768	K	94.2	Very high	91.9	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-96.3	-52.8	177.3	-172.4	168.1	-178.9	158.1	0	111.7	V602 V603 Y608 L740 P743 V744 A765 E766 K770	V602-K768 PolarHBondContact O-NZ 3.46Å; V603-K768 HydrophobicContact CG2-CB 3.98Å; V603-K768 HydrophobicContact CG2-CD 4.12Å; Y608-K768 WeakPolarHBondContact OH-CB 3.47Å; L740-K768 WeakPolarHBondContact O-CE 3.35Å; L740-K768 PolarHBondContact O-NZ 2.96Å; P743-K768 CarbonylContact C-O 3.52Å; P743-K768 WeakPolarHBondContact CA-O 3.31Å; V744-K768 PolarHBondContact N-O 3.38Å; A765-K768 PolarHBondContact O-N 2.96Å; E766-K768 PolarHBondContact O-N 3.12Å; K768-K770 PolarHBondContact O-N 2.91Å
769	Y	96.7	Very high	92.1	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-90.8	93	-177.4	-49.8	-78.7	0	0	0	109.9	T583 L596 L598 V601 V603 V744 T748 A765 E766 N771 L772	T583-Y769 HydrophobicContact CG2-CE1 4.27Å; L596-Y769 HydrophobicContact CD2-CD1 4.23Å; L596-Y769 HydrophobicContact CD2-CE1 3.94Å; L598-Y769 HydrophobicContact CD1-CE1 3.58Å; L598-Y769 HydrophobicContact CD1-CE2 4.29Å; L598-Y769 VanDerWaalsContact CD1-CZ 3.42Å; L598-Y769 WeakPolarHBondContact CD1-OH 3.49Å; V601-Y769 HydrophobicContact CB-CE2 4.42Å; V601-Y769 HydrophobicContact CG1-CE2 3.59Å; V601-Y769 HydrophobicContact CG2-CE2 4.03Å; V603-Y769 HydrophobicContact CG2-CE2 4.49Å; V744-Y769 HydrophobicContact CB-CD1 3.68Å; V744-Y769 HydrophobicContact CB-CE1 4.25Å; V744-Y769 HydrophobicContact CG1-CD1 3.99Å; V744-Y769 HydrophobicContact CG2-CD1 3.82Å; V744-Y769 HydrophobicContact CG2-CE1 3.87Å; T748-Y769 HydrophobicContact CG2-CD1 3.69Å; T748-Y769 HydrophobicContact CG2-CE1 4.34Å; T748-Y769 HydrophobicContact CG2-CG 3.88Å; A765-Y769 HydrophobicContact CB-CD2 4.26Å; A765-Y769 VanDerWaalsContact O-CD2 3.27Å; A765-Y769 WeakPolarHBondContact O-CD2 3.46Å; A765-Y769 PolarHBondContact O-N 3.02Å; E766-Y769 WeakPolarHBondContact CA-O 3.43Å; Y769-N771 PolarHBondContact O-N 3.04Å; Y769-L772 PolarHBondContact O-N 3.05Å
770	K	95.1	Very high	92.3	Very high	80 Å²	80	49.5 Å²	49.5	35%	0.348	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.6	-173.1	-54.7	-57.6	-174	-178.1	0	113.2	P743 V744 Y745 Q767 K768	P743-K770 HydrophobicContact CB-CD 4.38Å; P743-K770 VanDerWaalsContact CB-CE 3.49Å; P743-K770 HydrophobicContact CB-CG 3.91Å; V744-K770 PolarHBondContact O-N 3.03Å; Y745-K770 HydrophobicContact CD1-CB 3.85Å; Y745-K770 HydrophobicContact CD1-CG 3.95Å; Y745-K770 HydrophobicContact CE1-CB 4.06Å; Y745-K770 HydrophobicContact CE1-CG 3.73Å; Q767-K770 WeakPolarHBondContact O-CE 3.28Å; Q767-K770 PolarHBondContact O-NZ 3.35Å; K768-K770 PolarHBondContact O-N 2.91Å
771	N	96.9	Very high	92.6	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	53.6	178.6	-167.5	14.1	0	0	0	111	Y745 T748 Y769 I773	Y745-N771 VanDerWaalsContact O-CB 3.24Å; Y745-N771 WeakPolarHBondContact O-CB 3.29Å; Y745-N771 PolarHBondContact O-ND2 3.23Å; T748-N771 PolarHBondContact N-O 2.82Å; Y769-N771 PolarHBondContact O-N 3.04Å; N771-I773 PolarHBondContact O-N 3.46Å; N771-I773 VanDerWaalsContact OD1-CG2 3.27Å; N771-I773 WeakPolarHBondContact OD1-CG2 3.39Å
772	L	97.4	Very high	92.9	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	95.8	176.2	-175.9	67.8	0	0	0	110.5	T748 V750 R762 A765 E766 Y769 H774 Y775	T748-L772 HydrophobicContact CG2-CD1 4.09Å; V750-L772 HydrophobicContact CB-CD1 4.3Å; V750-L772 HydrophobicContact CG2-CD1 3.7Å; R762-L772 HydrophobicContact CG-CD2 3.71Å; R762-L772 PolarHBondContact NH2-O 3.43Å; A765-L772 HydrophobicContact CB-CD2 4.11Å; E766-L772 HydrophobicContact CG-CB 4.11Å; E766-L772 HydrophobicContact CG-CD2 3.74Å; Y769-L772 PolarHBondContact O-N 3.05Å; L772-H774 WeakPolarHBondContact CD1-O 3.27Å; L772-Y775 HydrophobicContact CD2-CD2 4.03Å
773	I	97.1	Very high	93.2	Very high	50 Å²	50	42.2 Å²	42.2	26%	0.256	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-15.9	-174.1	63.1	163.7	0	0	0	113.5	P747 T748 N771 F800 K803 L804	P747-I773 HydrophobicContact CB-CD1 3.95Å; P747-I773 HydrophobicContact CB-CG1 4.39Å; T748-I773 WeakPolarHBondContact O-CG1 3.28Å; T748-I773 PolarHBondContact O-N 3.06Å; N771-I773 PolarHBondContact O-N 3.46Å; N771-I773 VanDerWaalsContact OD1-CG2 3.27Å; N771-I773 WeakPolarHBondContact OD1-CG2 3.39Å; I773-F800 HydrophobicContact CD1-CD2 4.34Å; I773-F800 HydrophobicContact CD1-CE2 3.94Å; I773-F800 HydrophobicContact CG1-CE2 4.12Å; I773-K803 HydrophobicContact CD1-CB 4.05Å; I773-L804 HydrophobicContact CD1-CD2 4.03Å
774	H	95.8	Very high	93.7	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134	-177.8	-161.9	92.2	0	0	0	109.8	T748 A749 V750 L772 S776 E796 F800 K803	T748-H774 PolarHBondContact O-N 3.37Å; A749-H774 VanDerWaalsContact CA-O 3.3Å; A749-H774 WeakPolarHBondContact CA-O 3.35Å; A749-H774 HydrophobicContact CB-CB 3.77Å; V750-H774 PolarHBondContact N-O 2.9Å; L772-H774 WeakPolarHBondContact CD1-O 3.27Å; H774-S776 PolarHBondContact CD2-OG 2.85Å; H774-S776 PolarHBondContact NE2-OG 3.32Å; H774-E796 IonicContact CD2-OE1 3.3Å; H774-E796 PolarHBondContact CD2-OE1 3.26Å; H774-E796 IonicContact CD2-OE2 3.05Å; H774-E796 IonicContact NE2-OE1 3.58Å; H774-E796 PolarHBondContact NE2-OE1 2.83Å; H774-E796 VanDerWaalsContact NE2-OE1 3.07Å; H774-E796 IonicContact NE2-OE2 2.71Å; H774-E796 PolarHBondContact NE2-OE2 3.24Å; H774-F800 HydrophobicContact CB-CD2 4.47Å; H774-K803 HydrophobicContact CB-CD 4.29Å; H774-K803 VanDerWaalsContact ND1-CD 3.29Å; H774-K803 WeakPolarHBondContact ND1-CD 3.25Å; H774-K803 WeakPolarHBondContact ND1-CE 3.13Å; H774-K803 PolarHBondContact ND1-NZ 3.12Å
775	Y	96.1	Very high	94	Very high	33 Å²	33	39.1 Å²	39.1	13%	0.129	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	111.4	176.4	-173.6	-80.3	0	0	0	106.8	V750 A752 Y760 R762 L772 E777	V750-Y775 HydrophobicContact CB-CD2 3.7Å; V750-Y775 HydrophobicContact CB-CE2 3.99Å; V750-Y775 HydrophobicContact CG1-CD2 3.96Å; V750-Y775 HydrophobicContact CG1-CE2 3.71Å; V750-Y775 HydrophobicContact CG2-CD2 4.45Å; V750-Y775 WeakPolarHBondContact O-CA 3.22Å; A752-Y775 HydrophobicContact CB-CE1 4.21Å; A752-Y775 WeakPolarHBondContact CB-OH 3.31Å; Y760-Y775 PolarHBondContact O-OH 2.86Å; R762-Y775 HydrophobicContact CB-CD1 4.18Å; R762-Y775 HydrophobicContact CB-CD2 4.1Å; R762-Y775 HydrophobicContact CB-CE1 4.4Å; R762-Y775 HydrophobicContact CB-CE2 4.34Å; R762-Y775 HydrophobicContact CB-CG 4.04Å; R762-Y775 HydrophobicContact CG-CD2 4.2Å; R762-Y775 HydrophobicContact CG-CG 4.09Å; L772-Y775 HydrophobicContact CD2-CD2 4.03Å; Y775-E777 HydrophobicContact CD1-CG 4.1Å; Y775-E777 HydrophobicContact CE1-CG 3.5Å; Y775-E777 VanDerWaalsContact CE1-CG 3.5Å
776	S	95.3	Very high	94.3	Very high	23 Å²	23	39 Å²	39	16%	0.161	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134	-177.1	-69	0	0	0	0	109.6	V750 A752 H774 E796	V750-S776 PolarHBondContact O-N 2.73Å; A752-S776 PolarHBondContact N-O 3.2Å; H774-S776 PolarHBondContact CD2-OG 2.85Å; H774-S776 PolarHBondContact NE2-OG 3.32Å; S776-E796 VanDerWaalsContact CB-OE1 3.3Å; S776-E796 WeakPolarHBondContact CB-OE1 3.42Å; S776-E796 PolarHBondContact OG-OE1 2.71Å; S776-E796 PolarHBondContact OG-OE2 2.93Å
777	E	94.1	Very high	94.4	Very high	145 Å²	145	35.9 Å²	35.9	68%	0.678	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	131	175.1	-64.3	-179.4	143	0	0	108.5	A752 Y775	A752-E777 HydrophobicContact CB-CG 4.44Å; A752-E777 WeakPolarHBondContact O-CA 3.44Å; Y775-E777 HydrophobicContact CD1-CG 4.1Å; Y775-E777 HydrophobicContact CE1-CG 3.5Å; Y775-E777 VanDerWaalsContact CE1-CG 3.5Å
778	F	93.5	Very high	94.6	Very high	33 Å²	33	35.2 Å²	35.2	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.6	-179.7	-60.3	-79.2	0	0	0	110.2	A751 A752 F753 A754 N780 L792 E796	A751-F778 HydrophobicContact CB-CE2 3.93Å; A752-F778 PolarHBondContact O-N 3.38Å; F753-F778 HydrophobicContact CD1-CB 3.75Å; F753-F778 AromaticContact CD1-CD2 3.94Å; F753-F778 HydrophobicContact CD1-CD2 3.94Å; F753-F778 HydrophobicContact CD1-CG 4.03Å; F753-F778 HydrophobicContact CD2-CD2 4.45Å; F753-F778 HydrophobicContact CE1-CB 4.08Å; F753-F778 AromaticContact CE1-CD2 3.72Å; F753-F778 HydrophobicContact CE1-CD2 3.72Å; F753-F778 HydrophobicContact CE1-CE2 4.32Å; F753-F778 AromaticContact CE1-CG 3.89Å; F753-F778 HydrophobicContact CE1-CG 3.89Å; F753-F778 HydrophobicContact CE2-CD2 4.25Å; F753-F778 HydrophobicContact CE2-CE2 4.5Å; F753-F778 HydrophobicContact CG-CB 4.43Å; F753-F778 HydrophobicContact CG-CD2 4.29Å; F753-F778 AromaticContact CZ-CD2 3.88Å; F753-F778 HydrophobicContact CZ-CD2 3.88Å; F753-F778 HydrophobicContact CZ-CE2 4.1Å; F753-F778 HydrophobicContact CZ-CG 4.47Å; A754-F778 VanDerWaalsContact CB-O 3.23Å; A754-F778 WeakPolarHBondContact CB-O 3.43Å; A754-F778 PolarHBondContact N-O 3.09Å; F778-N780 PolarHBondContact O-N 3.41Å; F778-L792 HydrophobicContact CD1-CD1 4.1Å; F778-L792 HydrophobicContact CD1-CD2 3.7Å; F778-L792 HydrophobicContact CD1-CG 4.04Å; F778-L792 HydrophobicContact CE1-CD1 3.72Å; F778-L792 HydrophobicContact CE1-CD2 4.07Å; F778-L792 HydrophobicContact CE1-CG 3.85Å; F778-L792 HydrophobicContact CG-CD2 4.34Å; F778-E796 HydrophobicContact CE2-CG 4.4Å; F778-E796 HydrophobicContact CZ-CB 4.19Å; F778-E796 HydrophobicContact CZ-CG 4.21Å
779	D	89.8	Confident	94.6	Very high	159 Å²	159	38.2 Å²	38.2	85%	0.85	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	-4.4	-178	-62.5	-32	0	0	0	114.2
780	N	86.6	Confident	94.6	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	170.9	179.5	61.2	50.2	0	0	0	110.4	F753 F778	F753-N780 VanDerWaalsContact CD1-O 3.28Å; F753-N780 WeakPolarHBondContact CD1-O 3.31Å; F778-N780 PolarHBondContact O-N 3.41Å
781	G	89.7	Confident	94.7	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.7	149	-175.6	0	0	0	0	0	113.1	N755 E788	N755-G781 WeakPolarHBondContact CB-O 3.3Å; N755-G781 PolarHBondContact N-O 3.38Å; N755-G781 PolarHBondContact ND2-O 3.16Å; G781-E788 WeakPolarHBondContact CA-OE2 3.37Å
782	G	92.3	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-146.9	174	0	0	0	0	0	113.6	S687 F784 A785 E788	S687-G782 VanDerWaalsContact O-CA 3.3Å; S687-G782 WeakPolarHBondContact O-CA 3.28Å; G782-F784 PolarHBondContact O-N 3.16Å; G782-A785 VanDerWaalsContact O-CB 3.31Å; G782-A785 WeakPolarHBondContact O-CB 3.47Å; G782-A785 PolarHBondContact O-N 3.39Å; G782-A785 VanDerWaalsContact O-N 3.1Å; G782-E788 PolarHBondContact N-OE1 2.75Å; G782-E788 PolarHBondContact N-OE2 3.03Å; G782-E788 VanDerWaalsContact N-OE2 3.08Å
783	H	94.9	Very high	94.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.7	-175.1	-169.8	72.2	0	0	0	113.9	D576 W686 E756 L757	D576-H783 IonicContact OD1-CE1 2.93Å; D576-H783 IonicContact OD1-NE2 3.96Å; W686-H783 HydrophobicContact CB-CB 3.72Å; W686-H783 AromaticContact CE3-CD2 3.47Å; W686-H783 VanDerWaalsContact CE3-CD2 3.47Å; W686-H783 AromaticContact CE3-NE2 3.78Å; W686-H783 AromaticContact CZ3-NE2 3.88Å; W686-H783 VanDerWaalsContact O-CB 3.27Å; W686-H783 WeakPolarHBondContact O-CB 3.5Å; W686-H783 PolarHBondContact O-N 3.29Å; E756-H783 IonicContact OE1-CE1 2.76Å; E756-H783 IonicContact OE1-CG 3.28Å; E756-H783 IonicContact OE1-ND1 3.74Å; E756-H783 PolarHBondContact OE1-ND1 3.04Å; E756-H783 IonicContact OE2-ND1 3.93Å; L757-H783 HydrophobicContact CG-CB 4.32Å
784	F	96.7	Very high	94.7	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	31.2	178.3	-54.3	-76.9	0	0	0	112	P497 K682 Y683 W686 F702 G782 I786 M787 E788	P497-F784 HydrophobicContact CG-CZ 4.31Å; K682-F784 WeakPolarHBondContact O-CE2 3.32Å; Y683-F784 HydrophobicContact CD1-CD1 4.28Å; Y683-F784 AromaticContact CD1-CD2 3.89Å; Y683-F784 HydrophobicContact CD1-CD2 3.89Å; Y683-F784 HydrophobicContact CD1-CE1 4.42Å; Y683-F784 HydrophobicContact CD1-CE2 4.07Å; Y683-F784 HydrophobicContact CD1-CG 4.01Å; Y683-F784 HydrophobicContact CD1-CZ 4.31Å; Y683-F784 HydrophobicContact CD2-CE1 4.41Å; Y683-F784 HydrophobicContact CD2-CE2 4.32Å; Y683-F784 HydrophobicContact CD2-CZ 4.03Å; Y683-F784 HydrophobicContact CE1-CB 4.37Å; Y683-F784 AromaticContact CE1-CD1 3.72Å; Y683-F784 HydrophobicContact CE1-CD1 3.72Å; Y683-F784 HydrophobicContact CE1-CD2 4.16Å; Y683-F784 AromaticContact CE1-CE1 3.97Å; Y683-F784 HydrophobicContact CE1-CE1 3.97Å; Y683-F784 HydrophobicContact CE1-CE2 4.4Å; Y683-F784 AromaticContact CE1-CG 3.81Å; Y683-F784 HydrophobicContact CE1-CG 3.81Å; Y683-F784 HydrophobicContact CE1-CZ 4.3Å; Y683-F784 AromaticContact CE2-CE1 3.96Å; Y683-F784 HydrophobicContact CE2-CE1 3.96Å; Y683-F784 HydrophobicContact CE2-CZ 4.02Å; Y683-F784 HydrophobicContact CG-CD2 4.29Å; Y683-F784 HydrophobicContact CG-CE2 4.01Å; Y683-F784 HydrophobicContact CG-CZ 4.17Å; Y683-F784 AromaticContact CZ-CD1 3.84Å; Y683-F784 AromaticContact CZ-CE1 3.7Å; W686-F784 HydrophobicContact CB-CE2 4.02Å; W686-F784 HydrophobicContact CE3-CE2 4.32Å; W686-F784 HydrophobicContact CE3-CZ 4Å; F702-F784 HydrophobicContact CE1-CB 4.32Å; F702-F784 HydrophobicContact CZ-CB 4.11Å; G782-F784 PolarHBondContact O-N 3.16Å; F784-I786 PolarHBondContact O-N 2.97Å; F784-M787 PolarHBondContact O-N 3.32Å; F784-E788 HydrophobicContact CB-CG 4.48Å; F784-E788 PolarHBondContact N-OE1 3.11Å; F784-E788 WeakPolarHBondContact O-CG 3.34Å; F784-E788 PolarHBondContact O-N 3.48Å
785	A	95.7	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-50	-29.2	-176	0	0	0	0	0	114.8	F753 G782 M787 E788 K789 F793	F753-A785 HydrophobicContact CD1-CB 3.8Å; F753-A785 HydrophobicContact CD2-CB 3.58Å; F753-A785 HydrophobicContact CE1-CB 3.82Å; F753-A785 HydrophobicContact CE2-CB 3.58Å; F753-A785 HydrophobicContact CG-CB 3.71Å; F753-A785 HydrophobicContact CZ-CB 3.71Å; G782-A785 VanDerWaalsContact O-CB 3.31Å; G782-A785 WeakPolarHBondContact O-CB 3.47Å; G782-A785 PolarHBondContact O-N 3.39Å; G782-A785 VanDerWaalsContact O-N 3.1Å; A785-M787 VanDerWaalsContact C-N 3.35Å; A785-E788 PolarHBondContact O-N 3.48Å; A785-K789 CarbonylContact O-C 3.56Å; A785-K789 WeakPolarHBondContact O-CA 3.33Å; A785-K789 PolarHBondContact O-N 3.07Å; A785-F793 HydrophobicContact CB-CD2 4.34Å
786	I	97.4	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-42.2	176.3	-64.5	154.1	0	0	0	111.1	E502 Y503 L506 T575 F784 P790 F793	E502-I786 HydrophobicContact CG-CB 4.24Å; E502-I786 HydrophobicContact CG-CG2 4.4Å; E502-I786 WeakPolarHBondContact O-CG2 3.47Å; E502-I786 WeakPolarHBondContact OE1-CD1 3.22Å; Y503-I786 HydrophobicContact CD1-CD1 4.26Å; Y503-I786 HydrophobicContact CD1-CG2 3.73Å; Y503-I786 HydrophobicContact CE1-CD1 3.44Å; Y503-I786 VanDerWaalsContact CE1-CD1 3.44Å; Y503-I786 HydrophobicContact CE1-CG1 4.2Å; Y503-I786 HydrophobicContact CE1-CG2 4.05Å; L506-I786 HydrophobicContact CB-CG2 4.11Å; L506-I786 HydrophobicContact CD2-CG2 4.03Å; T575-I786 HydrophobicContact CG2-CD1 3.91Å; F784-I786 PolarHBondContact O-N 2.97Å; I786-P790 VanDerWaalsContact O-CA 3.31Å; I786-P790 WeakPolarHBondContact O-CA 3.3Å; I786-P790 WeakPolarHBondContact O-CB 3.43Å; I786-F793 HydrophobicContact CD1-CE2 4.32Å; I786-F793 HydrophobicContact CD1-CZ 4.1Å; I786-F793 HydrophobicContact CG1-CD1 4.16Å; I786-F793 HydrophobicContact CG1-CD2 3.76Å; I786-F793 HydrophobicContact CG1-CE1 3.92Å; I786-F793 HydrophobicContact CG1-CE2 3.48Å; I786-F793 VanDerWaalsContact CG1-CE2 3.48Å; I786-F793 HydrophobicContact CG1-CG 4.09Å; I786-F793 HydrophobicContact CG1-CZ 3.57Å
787	M	96	Very high	95	Very high	7 Å²	7	37 Å²	37	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-79.9	-38.2	175.7	-72.7	-178	75.1	0	0	112.1	F501 E502 Y683 F702 E706 F784 A785 P790	F501-M787 HydrophobicContact CE1-CE 4.23Å; E502-M787 HydrophobicContact CB-CG 4.37Å; E502-M787 HydrophobicContact CB-SD 4.46Å; E502-M787 HydrophobicContact CG-CG 3.69Å; E502-M787 HydrophobicContact CG-SD 3.97Å; E502-M787 WeakPolarHBondContact O-CG 3.36Å; Y683-M787 HydrophobicContact CE1-SD 3.93Å; F702-M787 HydrophobicContact CD1-CB 4.37Å; F702-M787 HydrophobicContact CD1-CE 4.41Å; F702-M787 HydrophobicContact CE1-CB 3.93Å; E706-M787 HydrophobicContact CB-CE 3.98Å; E706-M787 HydrophobicContact CG-CE 4.41Å; F784-M787 PolarHBondContact O-N 3.32Å; A785-M787 VanDerWaalsContact C-N 3.35Å; M787-P790 WeakPolarHBondContact O-CD 3.46Å
788	E	94.9	Very high	95.1	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-39.8	-177	-64.1	172.3	-128.7	0	0	112.5	S687 F702 G781 G782 F784 A785	S687-E788 WeakPolarHBondContact CB-OE1 3.36Å; S687-E788 PolarHBondContact OG-OE1 3.26Å; F702-E788 HydrophobicContact CE1-CG 3.74Å; F702-E788 HydrophobicContact CZ-CG 3.61Å; G781-E788 WeakPolarHBondContact CA-OE2 3.37Å; G782-E788 PolarHBondContact N-OE1 2.75Å; G782-E788 PolarHBondContact N-OE2 3.03Å; G782-E788 VanDerWaalsContact N-OE2 3.08Å; F784-E788 HydrophobicContact CB-CG 4.48Å; F784-E788 PolarHBondContact N-OE1 3.11Å; F784-E788 WeakPolarHBondContact O-CG 3.34Å; F784-E788 PolarHBondContact O-N 3.48Å; A785-E788 PolarHBondContact O-N 3.48Å
789	K	95.4	Very high	95.2	Very high	69 Å²	69	31.2 Å²	31.2	30%	0.3	16%	0.158	S	C	.	.	S	Bend	trans	-137.3	55.1	-172	-53.4	-64.6	165.6	-147.4	0	112.4	A785 R791 L792 F793	A785-K789 CarbonylContact O-C 3.56Å; A785-K789 WeakPolarHBondContact O-CA 3.33Å; A785-K789 PolarHBondContact O-N 3.07Å; K789-R791 VanDerWaalsContact C-N 3.33Å; K789-R791 PolarHBondContact O-N 3.29Å; K789-L792 HydrophobicContact CB-CB 3.96Å; K789-L792 HydrophobicContact CB-CD2 4.27Å; K789-L792 PolarHBondContact O-N 2.83Å; K789-L792 VanDerWaalsContact O-N 3.1Å; K789-F793 PolarHBondContact O-N 3.01Å
790	P	96.4	Very high	95.6	Very high	21 Å²	21	23.6 Å²	23.6	14%	0.136	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-37.2	-171.5	22.7	-34.7	0	0	0	113.9	K505 I509 I786 M787 A794	K505-P790 HydrophobicContact CB-CB 3.94Å; K505-P790 HydrophobicContact CB-CG 4.16Å; K505-P790 HydrophobicContact CD-CG 4Å; I509-P790 HydrophobicContact CD1-CB 3.93Å; I786-P790 VanDerWaalsContact O-CA 3.31Å; I786-P790 WeakPolarHBondContact O-CA 3.3Å; I786-P790 WeakPolarHBondContact O-CB 3.43Å; M787-P790 WeakPolarHBondContact O-CD 3.46Å; P790-A794 VanDerWaalsContact O-CB 3.32Å; P790-A794 WeakPolarHBondContact O-CB 3.48Å; P790-A794 PolarHBondContact O-N 3.34Å
791	R	96.8	Very high	96.1	Very high	112 Å²	112	19.8 Å²	19.8	42%	0.423	10%	0.097	S	C	.	.	H	α-helix	trans	-70	-39.5	178	-66.7	-175.6	68.8	82.3	1	112.6	I509 E516 K789 A794 T795	I509-R791 HydrophobicContact CD1-CG 3.94Å; E516-R791 VanDerWaalsContact O-CZ 3.23Å; E516-R791 PolarHBondContact O-NH1 3.23Å; E516-R791 PolarHBondContact O-NH2 3.1Å; E516-R791 IonicContact OE2-NH1 3.99Å; E516-R791 PolarHBondContact OE2-NH1 2.85Å; K789-R791 VanDerWaalsContact C-N 3.33Å; K789-R791 PolarHBondContact O-N 3.29Å; R791-A794 PolarHBondContact O-N 2.61Å; R791-T795 PolarHBondContact O-N 3.45Å; R791-T795 PolarHBondContact O-OG1 3.42Å
792	L	96.3	Very high	96.3	Very high	60 Å²	60	25.7 Å²	25.7	31%	0.314	12%	0.117	S	C	.	.	H	α-helix	trans	-65.6	-45.4	176.3	-175.5	61.6	0	0	0	109.8	F753 F778 K789 A794 T795 E796	F753-L792 HydrophobicContact CE1-CD2 4.26Å; F778-L792 HydrophobicContact CD1-CD1 4.1Å; F778-L792 HydrophobicContact CD1-CD2 3.7Å; F778-L792 HydrophobicContact CD1-CG 4.04Å; F778-L792 HydrophobicContact CE1-CD1 3.72Å; F778-L792 HydrophobicContact CE1-CD2 4.07Å; F778-L792 HydrophobicContact CE1-CG 3.85Å; F778-L792 HydrophobicContact CG-CD2 4.34Å; K789-L792 HydrophobicContact CB-CB 3.96Å; K789-L792 HydrophobicContact CB-CD2 4.27Å; K789-L792 PolarHBondContact O-N 2.83Å; K789-L792 VanDerWaalsContact O-N 3.1Å; L792-A794 PolarHBondContact O-N 2.73Å; L792-T795 WeakPolarHBondContact O-CB 3.41Å; L792-T795 PolarHBondContact O-N 2.85Å; L792-E796 PolarHBondContact O-N 3.41Å
793	F	97.8	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-41.3	176.6	-154.7	-76.4	0	0	0	112.5	L506 Q573 H597 N599 F753 A785 I786 K789 E796 L797	L506-F793 HydrophobicContact CD1-CD1 4.42Å; L506-F793 HydrophobicContact CD2-CD1 3.96Å; L506-F793 HydrophobicContact CD2-CE1 4.32Å; Q573-F793 HydrophobicContact CG-CE1 4.14Å; Q573-F793 HydrophobicContact CG-CZ 4.37Å; H597-F793 AromaticContact CE1-CE1 3.73Å; H597-F793 AromaticContact CE1-CZ 3.64Å; N599-F793 HydrophobicContact CB-CE2 3.67Å; N599-F793 HydrophobicContact CB-CZ 3.99Å; F753-F793 AromaticContact CE2-CD2 3.8Å; F753-F793 HydrophobicContact CE2-CD2 3.8Å; F753-F793 AromaticContact CE2-CE2 3.8Å; F753-F793 HydrophobicContact CE2-CE2 3.8Å; F753-F793 AromaticContact CZ-CD2 3.68Å; F753-F793 HydrophobicContact CZ-CD2 3.68Å; F753-F793 HydrophobicContact CZ-CE2 4.18Å; A785-F793 HydrophobicContact CB-CD2 4.34Å; I786-F793 HydrophobicContact CD1-CE2 4.32Å; I786-F793 HydrophobicContact CD1-CZ 4.1Å; I786-F793 HydrophobicContact CG1-CD1 4.16Å; I786-F793 HydrophobicContact CG1-CD2 3.76Å; I786-F793 HydrophobicContact CG1-CE1 3.92Å; I786-F793 HydrophobicContact CG1-CE2 3.48Å; I786-F793 VanDerWaalsContact CG1-CE2 3.48Å; I786-F793 HydrophobicContact CG1-CG 4.09Å; I786-F793 HydrophobicContact CG1-CZ 3.57Å; K789-F793 PolarHBondContact O-N 3.01Å; F793-E796 WeakPolarHBondContact O-CB 3.5Å; F793-E796 PolarHBondContact O-N 2.95Å; F793-L797 HydrophobicContact CD1-CD1 3.9Å; F793-L797 HydrophobicContact CD1-CG 4.26Å; F793-L797 HydrophobicContact CE1-CD1 3.91Å; F793-L797 HydrophobicContact CE1-CG 4.2Å; F793-L797 PolarHBondContact O-N 2.75Å
794	A	98.1	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.9	0	0	0	0	0	112.4	L506 I509 L510 L518 P790 R791 L792 E796 L797 I798	L506-A794 HydrophobicContact CD1-CB 3.75Å; I509-A794 HydrophobicContact CB-CB 4.27Å; I509-A794 HydrophobicContact CG2-CB 3.36Å; L510-A794 HydrophobicContact CD2-CB 4.01Å; L518-A794 HydrophobicContact CD1-CB 3.57Å; P790-A794 VanDerWaalsContact O-CB 3.32Å; P790-A794 WeakPolarHBondContact O-CB 3.48Å; P790-A794 PolarHBondContact O-N 3.34Å; R791-A794 PolarHBondContact O-N 2.61Å; L792-A794 PolarHBondContact O-N 2.73Å; A794-E796 VanDerWaalsContact C-N 3.3Å; A794-E796 PolarHBondContact O-N 2.83Å; A794-L797 PolarHBondContact O-N 3.24Å; A794-I798 VanDerWaalsContact O-CG1 3.31Å; A794-I798 WeakPolarHBondContact O-CG1 3.26Å; A794-I798 PolarHBondContact O-N 3.43Å
795	T	97	Very high	95	Very high	52 Å²	52	41.2 Å²	41.2	32%	0.319	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-43.3	176.1	-57.9	0	0	0	0	111	R791 L792 I798 N799	R791-T795 PolarHBondContact O-N 3.45Å; R791-T795 PolarHBondContact O-OG1 3.42Å; L792-T795 WeakPolarHBondContact O-CB 3.41Å; L792-T795 PolarHBondContact O-N 2.85Å; T795-I798 PolarHBondContact O-N 3.17Å; T795-N799 WeakPolarHBondContact O-CB 3.33Å; T795-N799 PolarHBondContact O-N 3.22Å; T795-N799 PolarHBondContact O-ND2 3.36Å
796	E	97.1	Very high	93	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-46.5	175.8	176.9	64.9	-179.3	0	0	111.9	H597 A751 H774 S776 F778 L792 F793 A794 I798 N799 F800	H597-E796 WeakPolarHBondContact NE2-CG 3.43Å; A751-E796 HydrophobicContact CB-CG 4.02Å; H774-E796 IonicContact CD2-OE1 3.3Å; H774-E796 PolarHBondContact CD2-OE1 3.26Å; H774-E796 IonicContact CD2-OE2 3.05Å; H774-E796 IonicContact NE2-OE1 3.58Å; H774-E796 PolarHBondContact NE2-OE1 2.83Å; H774-E796 VanDerWaalsContact NE2-OE1 3.07Å; H774-E796 IonicContact NE2-OE2 2.71Å; H774-E796 PolarHBondContact NE2-OE2 3.24Å; S776-E796 VanDerWaalsContact CB-OE1 3.3Å; S776-E796 WeakPolarHBondContact CB-OE1 3.42Å; S776-E796 PolarHBondContact OG-OE1 2.71Å; S776-E796 PolarHBondContact OG-OE2 2.93Å; F778-E796 HydrophobicContact CE2-CG 4.4Å; F778-E796 HydrophobicContact CZ-CB 4.19Å; F778-E796 HydrophobicContact CZ-CG 4.21Å; L792-E796 PolarHBondContact O-N 3.41Å; F793-E796 WeakPolarHBondContact O-CB 3.5Å; F793-E796 PolarHBondContact O-N 2.95Å; A794-E796 VanDerWaalsContact C-N 3.3Å; A794-E796 PolarHBondContact O-N 2.83Å; E796-I798 PolarHBondContact O-N 3.18Å; E796-N799 PolarHBondContact O-N 2.77Å; E796-F800 WeakPolarHBondContact O-CB 3.44Å; E796-F800 PolarHBondContact O-N 2.78Å
797	L	97.7	Very high	92.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-40.7	176.3	-81.5	171.4	0	0	0	112.9	I490 L506 L510 F528 Q573 H597 F793 A794 F800 A801	I490-L797 HydrophobicContact CD1-CD1 4.39Å; I490-L797 HydrophobicContact CD1-CD2 4.03Å; L506-L797 HydrophobicContact CD2-CD1 4.07Å; L510-L797 HydrophobicContact CD1-CD1 3.76Å; L510-L797 HydrophobicContact CD2-CB 4.26Å; L510-L797 HydrophobicContact CD2-CD1 4.08Å; F528-L797 HydrophobicContact CZ-CB 4.49Å; Q573-L797 HydrophobicContact CB-CD2 4.43Å; Q573-L797 HydrophobicContact CG-CD2 4.29Å; H597-L797 HydrophobicContact CB-CD2 3.8Å; H597-L797 VanDerWaalsContact CG-CD2 3.46Å; F793-L797 HydrophobicContact CD1-CD1 3.9Å; F793-L797 HydrophobicContact CD1-CG 4.26Å; F793-L797 HydrophobicContact CE1-CD1 3.91Å; F793-L797 HydrophobicContact CE1-CG 4.2Å; F793-L797 PolarHBondContact O-N 2.75Å; A794-L797 PolarHBondContact O-N 3.24Å; L797-F800 PolarHBondContact O-N 3.44Å; L797-A801 WeakPolarHBondContact O-CB 3.33Å; L797-A801 PolarHBondContact O-N 3.11Å
798	I	96.7	Very high	92.7	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-45.5	175.1	-69.5	165	0	0	0	110.1	P513 L518 E519 F528 A794 T795 E796 F800 A801 R802	P513-I798 HydrophobicContact CB-CD1 4.14Å; P513-I798 HydrophobicContact CG-CD1 4.33Å; L518-I798 HydrophobicContact CB-CD1 4.27Å; L518-I798 HydrophobicContact CD1-CD1 4.45Å; E519-I798 HydrophobicContact CG-CD1 4.46Å; E519-I798 VanDerWaalsContact OE1-CG2 3.3Å; E519-I798 WeakPolarHBondContact OE1-CG2 3.43Å; F528-I798 HydrophobicContact CE2-CG1 3.9Å; F528-I798 HydrophobicContact CZ-CG1 4.48Å; A794-I798 VanDerWaalsContact O-CG1 3.31Å; A794-I798 WeakPolarHBondContact O-CG1 3.26Å; A794-I798 PolarHBondContact O-N 3.43Å; T795-I798 PolarHBondContact O-N 3.17Å; E796-I798 PolarHBondContact O-N 3.18Å; I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 PolarHBondContact O-N 3.19Å; I798-A801 PolarHBondContact O-N 3.33Å; I798-R802 WeakPolarHBondContact O-CG 3.47Å; I798-R802 PolarHBondContact O-N 3.32Å
799	N	96.2	Very high	92.5	Very high	54 Å²	54	53.3 Å²	53.3	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-39.1	177.6	-73.7	-23.4	0	0	0	112.3	T795 E796 R802 K803	T795-N799 WeakPolarHBondContact O-CB 3.33Å; T795-N799 PolarHBondContact O-N 3.22Å; T795-N799 PolarHBondContact O-ND2 3.36Å; E796-N799 PolarHBondContact O-N 2.77Å; N799-R802 PolarHBondContact OD1-NH1 2.83Å; N799-R802 VanDerWaalsContact OD1-NH1 3.08Å; N799-K803 PolarHBondContact O-N 3.39Å
800	F	97.7	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-50.2	171.6	172.8	-132.3	0	0	0	111.2	I571 H597 A749 I773 H774 E796 L797 I798 R802 K803 L804	I571-F800 HydrophobicContact CG2-CE1 4.07Å; H597-F800 HydrophobicContact CB-CD1 3.89Å; H597-F800 HydrophobicContact CB-CE1 3.87Å; A749-F800 HydrophobicContact CB-CB 4.09Å; A749-F800 HydrophobicContact CB-CD1 4.07Å; A749-F800 HydrophobicContact CB-CD2 3.35Å; A749-F800 HydrophobicContact CB-CE1 4.29Å; A749-F800 HydrophobicContact CB-CE2 3.58Å; A749-F800 HydrophobicContact CB-CG 3.57Å; A749-F800 HydrophobicContact CB-CZ 4.04Å; I773-F800 HydrophobicContact CD1-CD2 4.34Å; I773-F800 HydrophobicContact CD1-CE2 3.94Å; I773-F800 HydrophobicContact CG1-CE2 4.12Å; H774-F800 HydrophobicContact CB-CD2 4.47Å; E796-F800 WeakPolarHBondContact O-CB 3.44Å; E796-F800 PolarHBondContact O-N 2.78Å; L797-F800 PolarHBondContact O-N 3.44Å; I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 PolarHBondContact O-N 3.19Å; F800-R802 VanDerWaalsContact C-N 3.26Å; F800-R802 PolarHBondContact O-N 3.37Å; F800-K803 WeakPolarHBondContact O-CA 3.48Å; F800-K803 WeakPolarHBondContact O-CB 3.45Å; F800-K803 PolarHBondContact O-N 3.34Å; F800-L804 HydrophobicContact CD1-CD1 4.27Å; F800-L804 HydrophobicContact CD2-CD2 4.32Å; F800-L804 HydrophobicContact CD2-CG 4.33Å; F800-L804 HydrophobicContact CE1-CD1 3.95Å; F800-L804 HydrophobicContact CE1-CD2 4.49Å; F800-L804 HydrophobicContact CE2-CD1 4.37Å; F800-L804 HydrophobicContact CE2-CD2 3.62Å; F800-L804 HydrophobicContact CE2-CG 4.07Å; F800-L804 HydrophobicContact CZ-CD1 4.03Å; F800-L804 HydrophobicContact CZ-CD2 3.73Å; F800-L804 HydrophobicContact CZ-CG 4.2Å; F800-L804 PolarHBondContact O-N 3.29Å
801	A	96.5	Very high	92.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-36.1	179.3	0	0	0	0	0	112.7	Y488 I526 F528 I571 L797 I798 K803 L804	Y488-A801 HydrophobicContact CD2-CB 4.04Å; Y488-A801 HydrophobicContact CE2-CB 4.02Å; I526-A801 HydrophobicContact CD1-CB 4.18Å; I526-A801 HydrophobicContact CG2-CB 4.23Å; F528-A801 HydrophobicContact CE1-CB 4.1Å; F528-A801 HydrophobicContact CZ-CB 3.84Å; I571-A801 HydrophobicContact CD1-CB 4.31Å; L797-A801 WeakPolarHBondContact O-CB 3.33Å; L797-A801 PolarHBondContact O-N 3.11Å; I798-A801 PolarHBondContact O-N 3.33Å; A801-K803 VanDerWaalsContact C-N 3.29Å; A801-K803 PolarHBondContact O-N 3.09Å; A801-L804 WeakPolarHBondContact O-CB 3.48Å; A801-L804 PolarHBondContact O-N 3.29Å
802	R	94.4	Very high	91.8	Very high	129 Å²	129	50.5 Å²	50.5	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-29.7	173.1	-70.3	176.7	-174.2	147.6	-6.5	113.6	E519 I526 I798 N799 F800	E519-R802 IonicContact OE1-CZ 2.88Å; E519-R802 IonicContact OE1-NE 3.85Å; E519-R802 IonicContact OE1-NH2 3.64Å; E519-R802 PolarHBondContact OE1-NH2 3.47Å; E519-R802 IonicContact OE2-NH2 3Å; E519-R802 PolarHBondContact OE2-NH2 3.42Å; I526-R802 HydrophobicContact CD1-CB 4.45Å; I526-R802 HydrophobicContact CD1-CG 3.5Å; I798-R802 WeakPolarHBondContact O-CG 3.47Å; I798-R802 PolarHBondContact O-N 3.32Å; N799-R802 PolarHBondContact OD1-NH1 2.83Å; N799-R802 VanDerWaalsContact OD1-NH1 3.08Å; F800-R802 VanDerWaalsContact C-N 3.26Å; F800-R802 PolarHBondContact O-N 3.37Å
803	K	95.7	Very high	91.5	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.465	24%	0.239	S	C	.	.	H	α-helix	trans	-82.4	-16.7	177.1	-68.4	-170.7	-177.9	-172.8	0	112.9	I773 H774 N799 F800 A801 K805	I773-K803 HydrophobicContact CD1-CB 4.05Å; H774-K803 HydrophobicContact CB-CD 4.29Å; H774-K803 VanDerWaalsContact ND1-CD 3.29Å; H774-K803 WeakPolarHBondContact ND1-CD 3.25Å; H774-K803 WeakPolarHBondContact ND1-CE 3.13Å; H774-K803 PolarHBondContact ND1-NZ 3.12Å; N799-K803 PolarHBondContact O-N 3.39Å; F800-K803 WeakPolarHBondContact O-CA 3.48Å; F800-K803 WeakPolarHBondContact O-CB 3.45Å; F800-K803 PolarHBondContact O-N 3.34Å; A801-K803 VanDerWaalsContact C-N 3.29Å; A801-K803 PolarHBondContact O-N 3.09Å; K803-K805 PolarHBondContact O-N 3.08Å
804	L	94.3	Very high	91	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.047	26%	0.257	C	S	.	.	S	Bend	trans	-71.2	100.1	171.8	-60.9	172.7	0	0	0	107.5	I571 I594 P747 I773 F800 A801 T806	I571-L804 HydrophobicContact CD1-CD1 3.59Å; I571-L804 HydrophobicContact CG1-CD1 3.84Å; I594-L804 HydrophobicContact CG2-CB 4.27Å; I594-L804 HydrophobicContact CG2-CD1 3.9Å; I594-L804 HydrophobicContact CG2-CG 4.5Å; I594-L804 WeakPolarHBondContact O-CD2 3.08Å; P747-L804 HydrophobicContact CB-CD2 3.68Å; P747-L804 HydrophobicContact CG-CD2 4.38Å; I773-L804 HydrophobicContact CD1-CD2 4.03Å; F800-L804 HydrophobicContact CD1-CD1 4.27Å; F800-L804 HydrophobicContact CD2-CD2 4.32Å; F800-L804 HydrophobicContact CD2-CG 4.33Å; F800-L804 HydrophobicContact CE1-CD1 3.95Å; F800-L804 HydrophobicContact CE1-CD2 4.49Å; F800-L804 HydrophobicContact CE2-CD1 4.37Å; F800-L804 HydrophobicContact CE2-CD2 3.62Å; F800-L804 HydrophobicContact CE2-CG 4.07Å; F800-L804 HydrophobicContact CZ-CD1 4.03Å; F800-L804 HydrophobicContact CZ-CD2 3.73Å; F800-L804 HydrophobicContact CZ-CG 4.2Å; F800-L804 PolarHBondContact O-N 3.29Å; A801-L804 WeakPolarHBondContact O-CB 3.48Å; A801-L804 PolarHBondContact O-N 3.29Å; L804-T806 VanDerWaalsContact C-N 3.27Å; L804-T806 PolarHBondContact O-N 2.55Å
805	K	66.4	Low	90.4	Very high	213 Å²	213	58.2 Å²	58.2	93%	0.926	28%	0.279	S	S	*	.			trans	-68.2	89.5	167.9	-64.4	-177.6	-179	-177.7	0	107.4	K803	K803-K805 PolarHBondContact O-N 3.08Å
806	T	55	Low	89.8	Confident	124 Å²	124	58.7 Å²	58.7	76%	0.761	28%	0.275	S	S	*	.			trans	-88.2	0	168.9	51.4	0	0	0	0	112	Y488 I594 L804	Y488-T806 HydrophobicContact CE1-CG2 3.79Å; Y488-T806 PolarHBondContact OH-OG1 2.8Å; I594-T806 HydrophobicContact CG2-CG2 3.44Å; I594-T806 VanDerWaalsContact CG2-CG2 3.44Å; L804-T806 VanDerWaalsContact C-N 3.27Å; L804-T806 PolarHBondContact O-N 2.55Å

Retrieved 806 of 806 residues in 2050.4 ms (Link to these results)

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