A0A087XMZ3_POEFO Loading...

Threonine synthase like 1

AlphaFold DB , UniProt , Accession A0A087XMZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	27.3	Very low	247 Å²	247	141.5 Å²	141.5	100%	1.217	81%	0.813	S	S	*	*				0	94.4	0	-61.1	-173.9	-165.7	0	0	105.5
2	G	28.6	Very low	27	Very low	68 Å²	68	147.9 Å²	147.9	70%	0.701	81%	0.814	S	S	*	*				68.2	108.7	72.2	0	0	0	0	0	107.7
3	L	27.7	Very low	26.7	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	82%	0.815	S	S	*	*			cis	-146.1	142	45.7	-88.3	99.6	0	0	0	114.1
4	L	27	Very low	26.6	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	82%	0.821	S	S	*	*			trans	-99.7	140.9	156.5	-94.4	150.3	0	0	0	108.3
5	S	29.3	Very low	26.4	Very low	108 Å²	108	150.3 Å²	150.3	76%	0.755	83%	0.826	S	S	*	*			trans	175.9	107.9	135.3	59.1	0	0	0	0	108.9
6	A	26.4	Very low	26.4	Very low	80 Å²	80	147.7 Å²	147.7	66%	0.661	82%	0.82	S	S	*	*				97	123.9	64.3	0	0	0	0	0	114.2
7	I	26.6	Very low	26.3	Very low	147 Å²	147	153.2 Å²	153.2	75%	0.754	83%	0.825	S	S	*	*			trans	86	131.3	136.1	-68.6	168.2	0	0	0	116.4
8	Q	25.5	Very low	26.4	Very low	155 Å²	155	153.3 Å²	153.3	72%	0.724	83%	0.825	S	S	*	*			cis	-168.2	151.9	17.1	-111.8	168.6	-19.3	0	0	112
9	I	25.9	Very low	26.3	Very low	141 Å²	141	151.6 Å²	151.6	72%	0.723	82%	0.824	S	S	*	*			trans	54.5	118.8	135.2	-57.8	162.4	0	0	0	120.6
10	S	23.4	Very low	26.2	Very low	123 Å²	123	153.4 Å²	153.4	86%	0.86	83%	0.827	S	S	*	*				-168.6	145.1	110.2	-150.7	0	0	0	0	114.2
11	L	24.4	Very low	26.3	Very low	147 Å²	147	153.8 Å²	153.8	77%	0.77	83%	0.828	S	S	*	*			trans	-95.3	155.3	-174.7	-102.2	149.1	0	0	0	111.6
12	R	23.5	Very low	26.2	Very low	219 Å²	219	147.6 Å²	147.6	83%	0.826	81%	0.806	S	S	*	*			trans	76.3	114.3	154.4	-69.8	175	174.6	-170.7	-1.1	119.3
13	T	23.2	Very low	26.7	Very low	135 Å²	135	151.5 Å²	151.5	83%	0.828	82%	0.816	S	S	*	*				147.9	88.5	111.9	46.6	0	0	0	0	111.7	R15	T13-R15 PolarHBondContact O-N 3.37Å
14	A	24.7	Very low	26.9	Very low	109 Å²	109	148 Å²	148	90%	0.901	81%	0.807	S	S	*	*			trans	-92.7	96.2	162.3	0	0	0	0	0	108.4	C16	A14-C16 PolarHBondContact O-N 3.14Å
15	R	24.8	Very low	27.6	Very low	235 Å²	235	147.5 Å²	147.5	89%	0.887	80%	0.798	S	S	*	*			trans	-61.2	125	171	-91.4	177.8	170.1	174.2	-3.5	109.8	T13 R17	T13-R15 PolarHBondContact O-N 3.37Å; R15-R17 PolarHBondContact O-N 3.5Å
16	C	26.3	Very low	28.4	Very low	109 Å²	109	146.3 Å²	146.3	74%	0.736	79%	0.789	S	S	*	*			trans	-37.8	114.2	158.8	-161.8	0	0	0	0	111.3	A14	A14-C16 PolarHBondContact O-N 3.14Å
17	R	23.8	Very low	29.8	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	77%	0.772	S	S	*	*			trans	-106.1	98.2	156.2	-80.7	-167.2	-175.6	-154.4	2.4	107.3	R15 C19	R15-R17 PolarHBondContact O-N 3.5Å; R17-C19 PolarHBondContact O-N 3.4Å; R17-C19 VanDerWaalsContact O-N 3.14Å
18	L	28.6	Very low	31.2	Very low	155 Å²	155	145 Å²	145	81%	0.812	76%	0.761	S	S	*	*			trans	-54.7	105.7	158	-79.3	140.8	0	0	0	108.3	Q20	L18-Q20 PolarHBondContact O-N 3.34Å
19	C	24.4	Very low	32.6	Very low	121 Å²	121	139.2 Å²	139.2	82%	0.818	74%	0.738	S	S	*	*			trans	-81.6	103.9	158	-100.7	0	0	0	0	107.2	R17 L21	R17-C19 PolarHBondContact O-N 3.4Å; R17-C19 VanDerWaalsContact O-N 3.14Å; C19-L21 PolarHBondContact O-N 2.95Å
20	Q	25.2	Very low	33.6	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.6	120.2	163.2	-71.4	177	-29.1	0	0	108.2	L18	L18-Q20 PolarHBondContact O-N 3.34Å
21	L	28.3	Very low	34.6	Very low	161 Å²	161	140.6 Å²	140.6	84%	0.843	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-78.9	137	171.4	-82.2	155.9	0	0	0	109.2	C19	C19-L21 PolarHBondContact O-N 2.95Å
22	P	32	Very low	35.6	Very low	117 Å²	117	139.5 Å²	139.5	76%	0.76	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-72.7	145.2	177	6.1	7	0	0	0	111.3	S24	P22-S24 PolarHBondContact O-N 3.38Å
23	T	39.2	Very low	36.8	Very low	150 Å²	150	130.3 Å²	130.3	92%	0.92	71%	0.708	S	S	*	*	S	Bend	trans	-65.6	103.9	173.6	43	0	0	0	0	111.7
24	S	33.3	Very low	37.9	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	71%	0.707	S	S	*	*			trans	175.6	88.6	155.3	168.9	0	0	0	0	106.1	P22 S26	P22-S24 PolarHBondContact O-N 3.38Å; S24-S26 PolarHBondContact O-N 2.76Å; S24-S26 VanDerWaalsContact O-N 3.08Å
25	K	40.7	Very low	39.2	Very low	157 Å²	157	125.6 Å²	125.6	68%	0.683	67%	0.67	S	S	*	*			trans	-82.2	86.3	-179.3	-72.5	-168.6	-178.6	-178.7	0	109.3	W27	K25-W27 HydrophobicContact CB-CZ2 4.47Å; K25-W27 HydrophobicContact CD-CH2 3.94Å; K25-W27 HydrophobicContact CD-CZ2 3.44Å; K25-W27 VanDerWaalsContact CD-CZ2 3.44Å
26	S	45.6	Very low	40.9	Very low	82 Å²	82	116.1 Å²	116.1	57%	0.573	65%	0.645	S	S	*	*			trans	-82.6	112.7	160.4	70	0	0	0	0	107.6	S24 F28	S24-S26 PolarHBondContact O-N 2.76Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S26-F28 PolarHBondContact O-N 3.1Å
27	W	55.9	Low	42.6	Very low	83 Å²	83	116.2 Å²	116.2	31%	0.314	64%	0.642	S	S	.	*			trans	-86.7	57.7	-175.4	-60.5	102.4	0	0	0	111.4	K25 L66	K25-W27 HydrophobicContact CB-CZ2 4.47Å; K25-W27 HydrophobicContact CD-CH2 3.94Å; K25-W27 HydrophobicContact CD-CZ2 3.44Å; K25-W27 VanDerWaalsContact CD-CZ2 3.44Å; W27-L66 HydrophobicContact CD2-CD2 3.83Å; W27-L66 HydrophobicContact CE3-CD2 3.56Å; W27-L66 HydrophobicContact CH2-CD2 3.82Å; W27-L66 HydrophobicContact CZ2-CD2 4.12Å; W27-L66 HydrophobicContact CZ3-CD2 3.56Å
28	F	56.4	Low	45.4	Very low	116 Å²	116	110 Å²	110	51%	0.509	62%	0.621	S	S	.	*	B	Isolated β-bridge	trans	-111.8	125.6	-179.8	-64.6	-91.7	0	0	0	109.4	S26 S107	S26-F28 PolarHBondContact O-N 3.1Å; F28-S107 WeakPolarHBondContact CD1-OG 3.45Å
29	S	55.2	Low	48.5	Very low	35 Å²	35	102.8 Å²	102.8	25%	0.245	58%	0.584	C	S	.	*			trans	-71.7	134.8	172.1	-179.7	0	0	0	0	110.8	K31	S29-K31 PolarHBondContact OG-N 2.94Å; S29-K31 PolarHBondContact OG-O 3.41Å
30	T	46.3	Very low	51.9	Low	149 Å²	149	97.1 Å²	97.1	91%	0.914	55%	0.545	S	S	*	.			trans	-92.8	-3.2	172.9	52.7	0	0	0	0	113.3
31	K	45.1	Very low	55.3	Low	144 Å²	144	88.2 Å²	88.2	63%	0.626	50%	0.504	S	S	*	.	S	Bend	trans	-92.3	132.4	175.5	-73.1	-176.9	177.2	178.8	0	110.2	S29 T33	S29-K31 PolarHBondContact OG-N 2.94Å; S29-K31 PolarHBondContact OG-O 3.41Å; K31-T33 PolarHBondContact O-N 3.42Å
32	S	44.6	Very low	58.6	Low	124 Å²	124	80.5 Å²	80.5	87%	0.867	46%	0.464	S	S	*	.			trans	-66.5	114.9	171	56.2	0	0	0	0	110.1
33	T	49.3	Very low	61.7	Low	25 Å²	25	75 Å²	75	15%	0.153	43%	0.427	C	S	.	.			trans	-80.5	152.5	173.6	32	0	0	0	0	111.5	K31 L35 G36 L63	K31-T33 PolarHBondContact O-N 3.42Å; T33-L35 PolarHBondContact O-N 2.61Å; T33-G36 PolarHBondContact O-N 3.2Å; T33-G36 VanDerWaalsContact OG1-C 3.22Å; T33-G36 WeakPolarHBondContact OG1-CA 3.33Å; T33-G36 PolarHBondContact OG1-N 2.85Å; T33-G36 PolarHBondContact OG1-O 3.15Å; T33-L63 HydrophobicContact CG2-CD1 3.73Å; T33-L63 HydrophobicContact CG2-CD2 3.21Å; T33-L63 HydrophobicContact CG2-CG 4.05Å
34	P	47.2	Very low	64.4	Low	124 Å²	124	67.8 Å²	67.8	81%	0.805	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.3	161.3	-19.5	30.9	0	0	0	112.3	G36	P34-G36 PolarHBondContact O-N 3.34Å
35	L	52	Low	67.1	Low	22 Å²	22	63.4 Å²	63.4	12%	0.115	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.6	179.8	-75.3	133.5	0	0	0	115.8	T33 I40 V202 L206	T33-L35 PolarHBondContact O-N 2.61Å; L35-I40 HydrophobicContact CD1-CD1 3.62Å; L35-I40 HydrophobicContact CD1-CG1 4.13Å; L35-I40 HydrophobicContact CD2-CD1 4.32Å; L35-I40 HydrophobicContact CD2-CG1 4.06Å; L35-V202 HydrophobicContact CD2-CG1 3.88Å; L35-L206 HydrophobicContact CD2-CD1 3.47Å; L35-L206 VanDerWaalsContact CD2-CD1 3.47Å; L35-L206 HydrophobicContact CD2-CD2 4.08Å; L35-L206 HydrophobicContact CD2-CG 4.28Å; L35-L206 HydrophobicContact CG-CD1 3.59Å
36	G	60.1	Low	69.4	Low	35 Å²	35	57.4 Å²	57.4	36%	0.361	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-150	-160.5	0	0	0	0	0	112	T33 P34 K38	T33-G36 PolarHBondContact O-N 3.2Å; T33-G36 VanDerWaalsContact OG1-C 3.22Å; T33-G36 WeakPolarHBondContact OG1-CA 3.33Å; T33-G36 PolarHBondContact OG1-N 2.85Å; T33-G36 PolarHBondContact OG1-O 3.15Å; P34-G36 PolarHBondContact O-N 3.34Å; G36-K38 PolarHBondContact O-N 2.79Å; G36-K38 VanDerWaalsContact O-N 3.11Å
37	V	61.8	Low	71.4	Confident	112 Å²	112	54.2 Å²	54.2	68%	0.679	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-4.6	-169.5	-172.1	0	0	0	0	114	S107 G108	V37-S107 VanDerWaalsContact CG1-CB 3.42Å; V37-S107 VanDerWaalsContact O-CB 3.31Å; V37-S107 WeakPolarHBondContact O-CB 3.3Å; V37-G108 PolarHBondContact O-N 3.41Å
38	K	83.2	Confident	73.2	Confident	109 Å²	109	50.4 Å²	50.4	47%	0.474	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-75.5	147.3	-172.7	-70.8	-171.8	177.7	-176.8	0	113.7	G36	G36-K38 PolarHBondContact O-N 2.79Å; G36-K38 VanDerWaalsContact O-N 3.11Å
39	N	92.9	Very high	74.9	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	156.1	173	-60.1	-50	0	0	0	112	L41 A106 S107 G108 C109 V111 N130 G131 V132	N39-L41 HydrophobicContact CB-CD2 3.85Å; N39-A106 PolarHBondContact ND2-O 3.49Å; N39-S107 VanDerWaalsContact OD1-C 3.28Å; N39-S107 WeakPolarHBondContact OD1-CA 3.42Å; N39-S107 PolarHBondContact OD1-N 3.05Å; N39-G108 PolarHBondContact OD1-N 3.22Å; N39-C109 VanDerWaalsContact CA-O 3.31Å; N39-C109 WeakPolarHBondContact CA-O 3.47Å; N39-C109 PolarHBondContact OD1-N 2.87Å; N39-V111 HydrophobicContact CB-CG2 4.32Å; N39-N130 PolarHBondContact N-O 3.26Å; N39-N130 PolarHBondContact ND2-O 2.95Å; N39-G131 CarbonylContact O-C 3.51Å; N39-G131 WeakPolarHBondContact O-CA 3.31Å; N39-V132 PolarHBondContact O-N 2.93Å
40	I	95.8	Very high	76.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	163.3	-64.6	163.1	0	0	0	107.5	L35 L42 L61 C109 I110 V111 V134 V202	L35-I40 HydrophobicContact CD1-CD1 3.62Å; L35-I40 HydrophobicContact CD1-CG1 4.13Å; L35-I40 HydrophobicContact CD2-CD1 4.32Å; L35-I40 HydrophobicContact CD2-CG1 4.06Å; I40-L42 HydrophobicContact CG2-CD2 3.98Å; I40-L61 HydrophobicContact CD1-CD1 3.89Å; I40-C109 PolarHBondContact N-O 3.23Å; I40-I110 HydrophobicContact CB-CD1 3.72Å; I40-I110 HydrophobicContact CD1-CD1 3.44Å; I40-I110 VanDerWaalsContact CD1-CD1 3.44Å; I40-I110 HydrophobicContact CG1-CD1 4.03Å; I40-I110 HydrophobicContact CG2-CD1 4.44Å; I40-I110 WeakPolarHBondContact O-CA 3.49Å; I40-V111 PolarHBondContact O-N 3.36Å; I40-V134 HydrophobicContact CG2-CG2 3.92Å; I40-V202 HydrophobicContact CD1-CG1 4.01Å; I40-V202 HydrophobicContact CD1-CG2 4.39Å; I40-V202 HydrophobicContact CG1-CG1 4.22Å; I40-V202 HydrophobicContact CG1-CG2 4.43Å; I40-V202 HydrophobicContact CG2-CG2 4.23Å
41	L	96.8	Very high	79.1	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.6	-175	-50.7	175	0	0	0	109.2	N39 V111 L113 L127 V132 V133 V134	N39-L41 HydrophobicContact CB-CD2 3.85Å; L41-V111 CarbonylContact C-O 3.58Å; L41-V111 WeakPolarHBondContact CA-O 3.43Å; L41-V111 HydrophobicContact CD2-CB 3.7Å; L41-V111 HydrophobicContact CD2-CG1 4.36Å; L41-V111 HydrophobicContact CD2-CG2 3.93Å; L41-L113 HydrophobicContact CB-CD1 4.42Å; L41-L127 HydrophobicContact CD1-CB 3.81Å; L41-L127 WeakPolarHBondContact CD1-O 3.24Å; L41-V132 PolarHBondContact N-O 2.69Å; L41-V133 HydrophobicContact CD1-CG2 3.93Å; L41-V134 PolarHBondContact O-N 3.36Å
42	L	97.9	Very high	81.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.6	178.3	-57.8	-173	0	0	0	110.2	I40 K50 V53 I110 V111 L113 V134 V198	I40-L42 HydrophobicContact CG2-CD2 3.98Å; L42-K50 HydrophobicContact CB-CB 4.42Å; L42-K50 WeakPolarHBondContact CD1-O 3.48Å; L42-V53 HydrophobicContact CD1-CB 4.4Å; L42-V53 HydrophobicContact CD1-CG1 4.09Å; L42-I110 HydrophobicContact CD1-CG2 4.14Å; L42-I110 HydrophobicContact CG-CG2 4.25Å; L42-V111 PolarHBondContact N-O 3.17Å; L42-L113 WeakPolarHBondContact O-CB 3.2Å; L42-L113 PolarHBondContact O-N 2.91Å; L42-V134 HydrophobicContact CD2-CB 4.02Å; L42-V134 HydrophobicContact CD2-CG1 4.28Å; L42-V198 HydrophobicContact CD2-CG1 4.02Å; L42-V198 HydrophobicContact CD2-CG2 4.43Å
43	M	96.9	Very high	84	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.5	-178.3	-179.4	179.5	63.2	0	0	111	L113 P118 M124 V133 V134 Y135 L136 Y175 W178 L179	M43-L113 HydrophobicContact CB-CD1 4.26Å; M43-P118 HydrophobicContact CG-CG 3.59Å; M43-P118 HydrophobicContact SD-CB 3.92Å; M43-P118 HydrophobicContact SD-CG 3.46Å; M43-P118 WeakPolarHBondContact SD-CG 3.45Å; M43-M124 HydrophobicContact SD-CE 4.21Å; M43-V133 HydrophobicContact CB-CG1 4.16Å; M43-V133 HydrophobicContact CE-CG1 3.74Å; M43-V133 HydrophobicContact SD-CG1 4.02Å; M43-V134 PolarHBondContact N-O 2.76Å; M43-Y135 HydrophobicContact CE-CD2 4.15Å; M43-Y135 HydrophobicContact CE-CG 4.13Å; M43-L136 PolarHBondContact O-N 2.87Å; M43-Y175 WeakPolarHBondContact CE-O 3.43Å; M43-Y175 HydrophobicContact CG-CD1 4.07Å; M43-Y175 HydrophobicContact SD-CD1 4Å; M43-Y175 HydrophobicContact SD-CG 4.48Å; M43-W178 HydrophobicContact CE-CB 4.32Å; M43-W178 HydrophobicContact SD-CB 4.11Å; M43-L179 HydrophobicContact CE-CB 3.89Å
44	G	94.8	Very high	86.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.			trans	157.9	168.5	176.5	0	0	0	0	0	112.4	K50	G44-K50 WeakPolarHBondContact O-CD 3.31Å; G44-K50 WeakPolarHBondContact O-CE 3.36Å; G44-K50 PolarHBondContact O-NZ 2.96Å
45	P	91.6	Very high	88.7	Confident	8 Å²	8	29.5 Å²	29.5	5%	0.052	17%	0.173	C	C	.	.			trans	-63	160.3	-178.5	26.3	-32.6	0	0	0	112.2	G47 A48 K50 I143 L168 Y175	P45-G47 PolarHBondContact O-N 2.66Å; P45-A48 HydrophobicContact CG-CB 4.29Å; P45-A48 WeakPolarHBondContact O-CB 3.31Å; P45-A48 PolarHBondContact O-N 3.35Å; P45-A48 VanDerWaalsContact O-N 3.08Å; P45-K50 PolarHBondContact O-NZ 3.47Å; P45-I143 HydrophobicContact CG-CD1 3.99Å; P45-I143 HydrophobicContact CG-CG1 4.1Å; P45-L168 HydrophobicContact CB-CD2 3.52Å; P45-L168 HydrophobicContact CG-CD2 4.19Å; P45-Y175 WeakPolarHBondContact CA-OH 3.45Å; P45-Y175 HydrophobicContact CB-CE2 3.99Å; P45-Y175 HydrophobicContact CG-CE2 4.24Å
46	P	88.7	Confident	90.8	Very high	31 Å²	31	30.1 Å²	30.1	20%	0.201	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	139.2	164.6	-27.4	39	0	0	0	110.5	A48 I143 L147 I155	P46-A48 VanDerWaalsContact C-N 3.34Å; P46-I143 WeakPolarHBondContact O-CG2 3.49Å; P46-L147 HydrophobicContact CB-CD2 3.93Å; P46-I155 HydrophobicContact CB-CD1 4.09Å; P46-I155 HydrophobicContact CG-CD1 3.89Å; P46-I155 HydrophobicContact CG-CG1 4.37Å; P46-I155 HydrophobicContact CG-CG2 4.19Å
47	G	87.9	Confident	92.6	Very high	14 Å²	14	28.5 Å²	28.5	14%	0.144	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-7.9	-173.2	0	0	0	0	0	115.7	P45 G49 R146	P45-G47 PolarHBondContact O-N 2.66Å; G47-G49 PolarHBondContact O-N 2.82Å; G47-R146 WeakPolarHBondContact O-CD 3.44Å; G47-R146 PolarHBondContact O-NH1 2.94Å
48	A	92	Very high	94.2	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	13%	0.128	C	C	.	.	S	Bend	trans	-68.4	-14.7	177.7	0	0	0	0	0	114.2	P45 P46 K50 L136 V138 I143	P45-A48 HydrophobicContact CG-CB 4.29Å; P45-A48 WeakPolarHBondContact O-CB 3.31Å; P45-A48 PolarHBondContact O-N 3.35Å; P45-A48 VanDerWaalsContact O-N 3.08Å; P46-A48 VanDerWaalsContact C-N 3.34Å; A48-K50 HydrophobicContact CB-CG 4.38Å; A48-L136 HydrophobicContact CB-CB 4.41Å; A48-V138 HydrophobicContact CB-CG2 4.04Å; A48-I143 VanDerWaalsContact CA-CD1 3.49Å; A48-I143 HydrophobicContact CB-CD1 3.99Å; A48-I143 VanDerWaalsContact N-CD1 3.33Å
49	G	92.9	Very high	94.8	Very high	19 Å²	19	24.6 Å²	24.6	20%	0.196	14%	0.14	C	C	.	.			trans	89	13.5	179.4	0	0	0	0	0	115	G47 T51 T52 V53	G47-G49 PolarHBondContact O-N 2.82Å; G49-T51 PolarHBondContact O-N 2.78Å; G49-T52 PolarHBondContact O-N 3.05Å; G49-T52 VanDerWaalsContact O-N 3.14Å; G49-V53 WeakPolarHBondContact O-CB 3.27Å; G49-V53 WeakPolarHBondContact O-CG2 3.19Å; G49-V53 PolarHBondContact O-N 2.97Å
50	K	95.4	Very high	94.8	Very high	16 Å²	16	29.5 Å²	29.5	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-43.7	-57.4	-177.4	-60.8	-179.2	-65.4	-68.8	0	113.6	L42 G44 P45 A48 T52 V53 G54 S112 L113 L136	L42-K50 HydrophobicContact CB-CB 4.42Å; L42-K50 WeakPolarHBondContact CD1-O 3.48Å; G44-K50 WeakPolarHBondContact O-CD 3.31Å; G44-K50 WeakPolarHBondContact O-CE 3.36Å; G44-K50 PolarHBondContact O-NZ 2.96Å; P45-K50 PolarHBondContact O-NZ 3.47Å; A48-K50 HydrophobicContact CB-CG 4.38Å; K50-T52 PolarHBondContact O-N 3.42Å; K50-V53 PolarHBondContact O-N 3.39Å; K50-G54 WeakPolarHBondContact O-CA 3.48Å; K50-G54 PolarHBondContact O-N 2.87Å; K50-S112 PolarHBondContact O-OG 3.11Å; K50-L113 WeakPolarHBondContact CD-O 3.41Å; K50-L113 WeakPolarHBondContact CE-O 3.17Å; K50-L136 HydrophobicContact CG-CD1 4.14Å
51	T	94.6	Very high	94.6	Very high	45 Å²	45	32.4 Å²	32.4	28%	0.276	18%	0.176	S	C	.	.	H	α-helix	trans	-60.1	-44.5	-178.1	-46.9	0	0	0	0	112.6	G49 K55 D67 S112	G49-T51 PolarHBondContact O-N 2.78Å; T51-K55 HydrophobicContact CG2-CD 4.43Å; T51-K55 VanDerWaalsContact O-CG 3.3Å; T51-K55 WeakPolarHBondContact O-CG 3.21Å; T51-K55 PolarHBondContact O-N 3.39Å; T51-D67 VanDerWaalsContact CB-OD2 3.31Å; T51-D67 WeakPolarHBondContact CB-OD2 3.15Å; T51-D67 HydrophobicContact CG2-CB 4.43Å; T51-D67 WeakPolarHBondContact CG2-OD2 3.44Å; T51-D67 PolarHBondContact OG1-OD2 2.95Å; T51-S112 WeakPolarHBondContact CA-OG 3.36Å
52	T	95.7	Very high	94.3	Very high	74 Å²	74	34.2 Å²	34.2	45%	0.454	20%	0.195	S	C	.	.	H	α-helix	trans	-68.4	-49.6	-179.8	-53.3	0	0	0	0	111.3	G49 K50 G54 K55 I56 V191	G49-T52 PolarHBondContact O-N 3.05Å; G49-T52 VanDerWaalsContact O-N 3.14Å; K50-T52 PolarHBondContact O-N 3.42Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-G54 PolarHBondContact O-N 3.1Å; T52-K55 PolarHBondContact O-N 2.94Å; T52-I56 HydrophobicContact CG2-CD1 4.32Å; T52-I56 WeakPolarHBondContact O-CG1 3.45Å; T52-I56 PolarHBondContact O-N 3.43Å; T52-I56 VanDerWaalsContact O-N 3.11Å; T52-V191 HydrophobicContact CG2-CB 4.3Å; T52-V191 HydrophobicContact CG2-CG1 4.38Å; T52-V191 HydrophobicContact CG2-CG2 4.11Å
53	V	97.1	Very high	93.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-43.6	176.2	171	0	0	0	0	110.1	L42 G49 K50 K55 I56 V57 L136 V191 V194 A195 V198	L42-V53 HydrophobicContact CD1-CB 4.4Å; L42-V53 HydrophobicContact CD1-CG1 4.09Å; G49-V53 WeakPolarHBondContact O-CB 3.27Å; G49-V53 WeakPolarHBondContact O-CG2 3.19Å; G49-V53 PolarHBondContact O-N 2.97Å; K50-V53 PolarHBondContact O-N 3.39Å; V53-K55 PolarHBondContact O-N 3.31Å; V53-I56 PolarHBondContact O-N 3.07Å; V53-I56 VanDerWaalsContact O-N 3.15Å; V53-V57 HydrophobicContact CG1-CG2 4.15Å; V53-V57 VanDerWaalsContact O-CG2 3.31Å; V53-V57 WeakPolarHBondContact O-CG2 3.33Å; V53-V57 PolarHBondContact O-N 3.04Å; V53-L136 HydrophobicContact CB-CD1 4.35Å; V53-L136 HydrophobicContact CG1-CD1 4.36Å; V53-L136 HydrophobicContact CG2-CD1 4.44Å; V53-V191 HydrophobicContact CG2-CB 4.36Å; V53-V194 HydrophobicContact CG1-CG1 4.28Å; V53-V194 HydrophobicContact CG2-CB 4.18Å; V53-V194 HydrophobicContact CG2-CG1 3.88Å; V53-A195 HydrophobicContact CG1-CB 4.14Å; V53-V198 HydrophobicContact CG1-CG2 3.89Å
54	G	96.7	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-43.9	177.8	0	0	0	0	0	113	K50 T52 I56 V57 A58	K50-G54 WeakPolarHBondContact O-CA 3.48Å; K50-G54 PolarHBondContact O-N 2.87Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-G54 PolarHBondContact O-N 3.1Å; G54-I56 PolarHBondContact O-N 3.24Å; G54-V57 PolarHBondContact O-N 2.83Å; G54-A58 WeakPolarHBondContact O-CB 3.41Å; G54-A58 PolarHBondContact O-N 3.2Å
55	K	97.2	Very high	93.8	Very high	123 Å²	123	39.1 Å²	39.1	54%	0.535	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-40.4	174.7	-72.9	169.8	-176.8	174.8	0	112.3	T51 T52 V53 N59 A65	T51-K55 HydrophobicContact CG2-CD 4.43Å; T51-K55 VanDerWaalsContact O-CG 3.3Å; T51-K55 WeakPolarHBondContact O-CG 3.21Å; T51-K55 PolarHBondContact O-N 3.39Å; T52-K55 PolarHBondContact O-N 2.94Å; V53-K55 PolarHBondContact O-N 3.31Å; K55-N59 WeakPolarHBondContact O-CB 3.29Å; K55-N59 PolarHBondContact O-N 3.26Å; K55-A65 HydrophobicContact CG-CB 4.3Å
56	I	97.6	Very high	94	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-48.7	177.8	-64.1	167.1	0	0	0	110.7	T52 V53 G54 A58 N59 K60 V191 E192 A195	T52-I56 HydrophobicContact CG2-CD1 4.32Å; T52-I56 WeakPolarHBondContact O-CG1 3.45Å; T52-I56 PolarHBondContact O-N 3.43Å; T52-I56 VanDerWaalsContact O-N 3.11Å; V53-I56 PolarHBondContact O-N 3.07Å; V53-I56 VanDerWaalsContact O-N 3.15Å; G54-I56 PolarHBondContact O-N 3.24Å; I56-A58 PolarHBondContact O-N 3.21Å; I56-N59 PolarHBondContact O-N 3.17Å; I56-K60 HydrophobicContact CG2-CD 4.49Å; I56-K60 PolarHBondContact O-N 2.85Å; I56-V191 HydrophobicContact CD1-CB 4.26Å; I56-V191 HydrophobicContact CD1-CG2 3.88Å; I56-E192 HydrophobicContact CD1-CG 4.42Å; I56-A195 HydrophobicContact CB-CB 3.95Å; I56-A195 HydrophobicContact CG2-CB 3.55Å
57	V	96.6	Very high	94.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-45.5	178.3	171.5	0	0	0	0	110.7	V53 G54 N59 K60 L61 I110 A195 V198 L199	V53-V57 HydrophobicContact CG1-CG2 4.15Å; V53-V57 VanDerWaalsContact O-CG2 3.31Å; V53-V57 WeakPolarHBondContact O-CG2 3.33Å; V53-V57 PolarHBondContact O-N 3.04Å; G54-V57 PolarHBondContact O-N 2.83Å; V57-N59 VanDerWaalsContact C-N 3.34Å; V57-N59 PolarHBondContact O-N 3.39Å; V57-K60 PolarHBondContact O-N 3.16Å; V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 WeakPolarHBondContact O-CG 3.33Å; V57-L61 PolarHBondContact O-N 3Å; V57-I110 HydrophobicContact CG1-CD1 3.92Å; V57-I110 HydrophobicContact CG1-CG1 4.23Å; V57-A195 HydrophobicContact CG2-CB 3.86Å; V57-V198 HydrophobicContact CG1-CG1 4.37Å; V57-V198 HydrophobicContact CG2-CB 4.06Å; V57-V198 HydrophobicContact CG2-CG1 3.9Å; V57-L199 HydrophobicContact CG1-CD2 3.94Å
58	A	95.1	Very high	94.5	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-44.3	177.1	0	0	0	0	0	112	G54 I56 L61 G62 L63 A65 I110	G54-A58 WeakPolarHBondContact O-CB 3.41Å; G54-A58 PolarHBondContact O-N 3.2Å; I56-A58 PolarHBondContact O-N 3.21Å; A58-L61 PolarHBondContact O-N 3.21Å; A58-G62 CarbonylContact O-C 3.6Å; A58-G62 WeakPolarHBondContact O-CA 3.37Å; A58-G62 PolarHBondContact O-N 2.6Å; A58-L63 WeakPolarHBondContact CB-O 3.38Å; A58-L63 PolarHBondContact O-N 2.74Å; A58-A65 HydrophobicContact CB-CB 3.67Å; A58-I110 HydrophobicContact CB-CB 4.13Å; A58-I110 HydrophobicContact CB-CG1 3.67Å
59	N	95.7	Very high	94.5	Very high	135 Å²	135	39.5 Å²	39.5	72%	0.722	23%	0.225	S	C	*	.	H	α-helix	trans	-61.8	-48.9	175.9	-172.8	-3.9	0	0	0	111.5	K55 I56 V57 L61 G62	K55-N59 WeakPolarHBondContact O-CB 3.29Å; K55-N59 PolarHBondContact O-N 3.26Å; I56-N59 PolarHBondContact O-N 3.17Å; V57-N59 VanDerWaalsContact C-N 3.34Å; V57-N59 PolarHBondContact O-N 3.39Å; N59-L61 VanDerWaalsContact C-N 3.31Å; N59-L61 PolarHBondContact O-N 3.23Å; N59-G62 PolarHBondContact O-N 3.39Å; N59-G62 VanDerWaalsContact O-N 3.14Å
60	K	93.9	Very high	94.3	Very high	107 Å²	107	42.8 Å²	42.8	47%	0.465	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-38.8	178.7	-75.4	-174.1	170.1	-174.2	0	112.8	I56 V57 E196 L199	I56-K60 HydrophobicContact CG2-CD 4.49Å; I56-K60 PolarHBondContact O-N 2.85Å; V57-K60 PolarHBondContact O-N 3.16Å; K60-E196 IonicContact NZ-OE2 2.94Å; K60-E196 PolarHBondContact NZ-OE2 3.11Å; K60-L199 HydrophobicContact CB-CD1 4.13Å; K60-L199 HydrophobicContact CD-CD1 3.4Å; K60-L199 VanDerWaalsContact CD-CD1 3.4Å; K60-L199 HydrophobicContact CG-CD1 4.42Å
61	L	90.8	Very high	94.1	Very high	64 Å²	64	44.8 Å²	44.8	34%	0.335	25%	0.25	S	C	.	.	H	α-helix	trans	-86.8	-9	178.9	-65	177.4	0	0	0	113.8	I40 V57 A58 N59 L63 I110 L199	I40-L61 HydrophobicContact CD1-CD1 3.89Å; V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 WeakPolarHBondContact O-CG 3.33Å; V57-L61 PolarHBondContact O-N 3Å; A58-L61 PolarHBondContact O-N 3.21Å; N59-L61 VanDerWaalsContact C-N 3.31Å; N59-L61 PolarHBondContact O-N 3.23Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 HydrophobicContact CB-CD1 3.88Å; L61-L63 HydrophobicContact CB-CG 3.9Å; L61-L63 HydrophobicContact CD1-CD1 4.11Å; L61-L63 PolarHBondContact O-N 3.45Å; L61-I110 HydrophobicContact CD1-CD1 4.19Å; L61-L199 HydrophobicContact CD1-CD2 3.77Å; L61-L199 HydrophobicContact CD2-CD2 3.73Å; L61-L199 HydrophobicContact CG-CD2 3.67Å
62	G	90.9	Very high	94	Very high	38 Å²	38	43.7 Å²	43.7	39%	0.392	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	31.9	-174.2	0	0	0	0	0	114	A58 N59	A58-G62 CarbonylContact O-C 3.6Å; A58-G62 WeakPolarHBondContact O-CA 3.37Å; A58-G62 PolarHBondContact O-N 2.6Å; N59-G62 PolarHBondContact O-N 3.39Å; N59-G62 VanDerWaalsContact O-N 3.14Å
63	L	90.8	Very high	93.8	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	22%	0.221	C	C	.	.			trans	-107.8	159.3	-178.8	-60.7	176.2	0	0	0	112.2	T33 A58 L61 I110	T33-L63 HydrophobicContact CG2-CD1 3.73Å; T33-L63 HydrophobicContact CG2-CD2 3.21Å; T33-L63 HydrophobicContact CG2-CG 4.05Å; A58-L63 WeakPolarHBondContact CB-O 3.38Å; A58-L63 PolarHBondContact O-N 2.74Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 HydrophobicContact CB-CD1 3.88Å; L61-L63 HydrophobicContact CB-CG 3.9Å; L61-L63 HydrophobicContact CD1-CD1 4.11Å; L61-L63 PolarHBondContact O-N 3.45Å; L63-I110 HydrophobicContact CB-CG1 4.47Å; L63-I110 HydrophobicContact CD1-CD1 4.17Å
64	P	93.7	Very high	93.6	Very high	45 Å²	45	43.1 Å²	43.1	29%	0.292	24%	0.235	S	C	.	.			trans	-66.2	140.1	170.7	-17.3	31.7	0	0	0	111.5	I110	P64-I110 PolarHBondContact O-N 2.89Å
65	A	95.5	Very high	93.4	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135	166.3	0	0	0	0	0	109.3	K55 A58 I110	K55-A65 HydrophobicContact CG-CB 4.3Å; A58-A65 HydrophobicContact CB-CB 3.67Å; A65-I110 CarbonylContact C-O 3.57Å; A65-I110 WeakPolarHBondContact CA-O 3.49Å
66	L	94.8	Very high	93.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.1	173.8	-63.5	175.2	0	0	0	109	W27 D71 F104 A106 C109 I110 V111 S112	W27-L66 HydrophobicContact CD2-CD2 3.83Å; W27-L66 HydrophobicContact CE3-CD2 3.56Å; W27-L66 HydrophobicContact CH2-CD2 3.82Å; W27-L66 HydrophobicContact CZ2-CD2 4.12Å; W27-L66 HydrophobicContact CZ3-CD2 3.56Å; L66-D71 HydrophobicContact CD2-CB 4.3Å; L66-F104 HydrophobicContact CD1-CE2 4.27Å; L66-F104 HydrophobicContact CD1-CZ 3.97Å; L66-A106 HydrophobicContact CD1-CB 3.86Å; L66-C109 HydrophobicContact CD1-CB 4.01Å; L66-C109 HydrophobicContact CG-CB 4.41Å; L66-I110 PolarHBondContact N-O 2.96Å; L66-V111 HydrophobicContact CB-CG2 4.46Å; L66-V111 HydrophobicContact CD1-CG2 4.42Å; L66-V111 CarbonylContact O-C 3.43Å; L66-V111 WeakPolarHBondContact O-CA 3.24Å; L66-S112 PolarHBondContact O-N 3.41Å
67	D	94.9	Very high	92.8	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.059	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.8	167.4	-166.3	-69.5	0	0	0	109.4	T51 D69 D70 D71	T51-D67 VanDerWaalsContact CB-OD2 3.31Å; T51-D67 WeakPolarHBondContact CB-OD2 3.15Å; T51-D67 HydrophobicContact CG2-CB 4.43Å; T51-D67 WeakPolarHBondContact CG2-OD2 3.44Å; T51-D67 PolarHBondContact OG1-OD2 2.95Å; D67-D69 VanDerWaalsContact C-N 3.29Å; D67-D69 PolarHBondContact O-N 3.42Å; D67-D69 WeakPolarHBondContact OD1-CB 3.33Å; D67-D69 PolarHBondContact OD1-N 3.19Å; D67-D70 HydrophobicContact CB-CB 4.27Å; D67-D70 PolarHBondContact OD1-N 2.85Å; D67-D71 PolarHBondContact N-OD2 3.47Å; D67-D71 WeakPolarHBondContact O-CA 3.4Å; D67-D71 VanDerWaalsContact O-CB 3.25Å; D67-D71 WeakPolarHBondContact O-CB 3.42Å; D67-D71 PolarHBondContact O-N 3.39Å
68	V	93.3	Very high	92.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-63.6	-37.4	-176.8	169.5	0	0	0	0	111.5	V72 L73 L101 V111 S112 L113 T114	V68-V72 WeakPolarHBondContact O-CB 3.45Å; V68-V72 PolarHBondContact O-N 2.86Å; V68-L73 HydrophobicContact CG1-CD1 4Å; V68-L73 HydrophobicContact CG1-CD2 4.49Å; V68-L73 HydrophobicContact CG1-CG 3.9Å; V68-L73 WeakPolarHBondContact O-CG 3.48Å; V68-L73 PolarHBondContact O-N 3.45Å; V68-L101 HydrophobicContact CG1-CD1 4.19Å; V68-L101 HydrophobicContact CG1-CD2 3.8Å; V68-L101 HydrophobicContact CG1-CG 4.27Å; V68-L101 HydrophobicContact CG2-CD2 4.14Å; V68-V111 HydrophobicContact CG2-CG1 3.76Å; V68-S112 WeakPolarHBondContact CB-O 3.49Å; V68-S112 WeakPolarHBondContact CG2-O 3.12Å; V68-S112 PolarHBondContact N-O 2.94Å; V68-L113 HydrophobicContact CG2-CD2 4.01Å; V68-T114 HydrophobicContact CB-CG2 3.91Å; V68-T114 HydrophobicContact CG1-CG2 3.54Å
69	D	90.4	Very high	92.4	Very high	50 Å²	50	55.1 Å²	55.1	27%	0.267	30%	0.304	S	S	.	.	I	π-helix	trans	-64	-59.9	178.5	-72.8	-39.1	0	0	0	109.1	D67 L73 E74 V81 T114	D67-D69 VanDerWaalsContact C-N 3.29Å; D67-D69 PolarHBondContact O-N 3.42Å; D67-D69 WeakPolarHBondContact OD1-CB 3.33Å; D67-D69 PolarHBondContact OD1-N 3.19Å; D69-L73 PolarHBondContact O-N 3.29Å; D69-E74 WeakPolarHBondContact O-CG 3.21Å; D69-E74 PolarHBondContact O-N 3.3Å; D69-E74 VanDerWaalsContact O-N 3.09Å; D69-V81 HydrophobicContact CB-CG2 4.03Å; D69-T114 WeakPolarHBondContact OD1-CG2 3.24Å
70	D	89.7	Confident	92.1	Very high	88 Å²	88	52 Å²	52	47%	0.471	29%	0.291	S	S	.	.	I	π-helix	trans	-75.7	-40	-170.4	-62.6	-21.3	0	0	0	114.1	D67 P75	D67-D70 HydrophobicContact CB-CB 4.27Å; D67-D70 PolarHBondContact OD1-N 2.85Å; D70-P75 VanDerWaalsContact O-CD 3.32Å; D70-P75 WeakPolarHBondContact O-CD 3.29Å
71	D	92	Very high	91.7	Very high	58 Å²	58	47.9 Å²	47.9	31%	0.31	28%	0.275	S	S	.	.	I	π-helix	trans	-98.1	-15.2	-169.5	-63.3	-60.5	0	0	0	113.7	L66 D67	L66-D71 HydrophobicContact CD2-CB 4.3Å; D67-D71 PolarHBondContact N-OD2 3.47Å; D67-D71 WeakPolarHBondContact O-CA 3.4Å; D67-D71 VanDerWaalsContact O-CB 3.25Å; D67-D71 WeakPolarHBondContact O-CB 3.42Å; D67-D71 PolarHBondContact O-N 3.39Å
72	V	91.5	Very high	91.4	Very high	21 Å²	21	48.4 Å²	48.4	13%	0.127	29%	0.289	C	S	.	.	I	π-helix	trans	-121.1	-58	-175.5	-173.6	0	0	0	0	112	V68 A76 T100 F104	V68-V72 WeakPolarHBondContact O-CB 3.45Å; V68-V72 PolarHBondContact O-N 2.86Å; V72-A76 VanDerWaalsContact O-CB 3.24Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 2.94Å; V72-T100 HydrophobicContact CG1-CG2 4.34Å; V72-F104 HydrophobicContact CG1-CD2 3.89Å; V72-F104 HydrophobicContact CG2-CD2 3.73Å; V72-F104 HydrophobicContact CG2-CE2 3.58Å
73	L	92.2	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-73.6	-53.6	-172.4	-63.9	-179.8	0	0	0	112.5	V68 D69 A76 W77 V81 E97 T100 T114	V68-L73 HydrophobicContact CG1-CD1 4Å; V68-L73 HydrophobicContact CG1-CD2 4.49Å; V68-L73 HydrophobicContact CG1-CG 3.9Å; V68-L73 WeakPolarHBondContact O-CG 3.48Å; V68-L73 PolarHBondContact O-N 3.45Å; D69-L73 PolarHBondContact O-N 3.29Å; L73-A76 PolarHBondContact O-N 3.33Å; L73-A76 VanDerWaalsContact O-N 3.12Å; L73-W77 HydrophobicContact CB-CD2 4.43Å; L73-W77 HydrophobicContact CB-CE3 3.97Å; L73-W77 HydrophobicContact CB-CH2 4.12Å; L73-W77 HydrophobicContact CB-CZ3 3.81Å; L73-W77 HydrophobicContact CD1-CH2 3.87Å; L73-W77 HydrophobicContact CD1-CZ3 4.07Å; L73-W77 HydrophobicContact CD2-CH2 3.84Å; L73-W77 HydrophobicContact CD2-CZ2 3.77Å; L73-W77 HydrophobicContact CD2-CZ3 4.41Å; L73-W77 HydrophobicContact CG-CH2 4.15Å; L73-W77 HydrophobicContact CG-CZ3 4.31Å; L73-W77 PolarHBondContact O-N 2.84Å; L73-V81 HydrophobicContact CB-CG2 4.02Å; L73-V81 HydrophobicContact CD1-CG2 4.28Å; L73-E97 HydrophobicContact CD1-CG 4Å; L73-E97 HydrophobicContact CD2-CG 4.34Å; L73-T100 HydrophobicContact CD2-CG2 3.8Å; L73-T114 HydrophobicContact CD1-CG2 3.89Å
74	E	92.9	Very high	91	Very high	64 Å²	64	49 Å²	49	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-41.7	-178.8	-62	-165.6	162.5	0	0	113.2	D69 K78 M79 P80 V81	D69-E74 WeakPolarHBondContact O-CG 3.21Å; D69-E74 PolarHBondContact O-N 3.3Å; D69-E74 VanDerWaalsContact O-N 3.09Å; E74-K78 VanDerWaalsContact O-CA 3.28Å; E74-K78 WeakPolarHBondContact O-CA 3.35Å; E74-K78 PolarHBondContact O-N 3.38Å; E74-M79 WeakPolarHBondContact CA-O 3.38Å; E74-M79 PolarHBondContact O-N 3.42Å; E74-P80 VanDerWaalsContact OE1-CA 3.22Å; E74-P80 WeakPolarHBondContact OE1-CA 3.31Å; E74-V81 HydrophobicContact CG-CG2 3.78Å; E74-V81 PolarHBondContact OE1-N 3.48Å
75	P	91.9	Very high	90.5	Very high	77 Å²	77	48.4 Å²	48.4	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-38	173.8	-25	37.1	0	0	0	113.4	D70	D70-P75 VanDerWaalsContact O-CD 3.32Å; D70-P75 WeakPolarHBondContact O-CD 3.29Å
76	A	90.4	Very high	90	Very high	60 Å²	60	50.7 Å²	50.7	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-68.4	-41.1	179.2	0	0	0	0	0	112	V72 L73 T100	V72-A76 VanDerWaalsContact O-CB 3.24Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 2.94Å; L73-A76 PolarHBondContact O-N 3.33Å; L73-A76 VanDerWaalsContact O-N 3.12Å; A76-T100 HydrophobicContact CB-CG2 3.83Å
77	W	90.8	Very high	89.6	Confident	34 Å²	34	56.2 Å²	56.2	13%	0.129	33%	0.326	C	S	.	.	H	α-helix	trans	-89.1	-13.7	-178.2	-59.9	-24.7	0	0	0	114	L73 M79 V81 K84 F93 E96 E97 T100	L73-W77 HydrophobicContact CB-CD2 4.43Å; L73-W77 HydrophobicContact CB-CE3 3.97Å; L73-W77 HydrophobicContact CB-CH2 4.12Å; L73-W77 HydrophobicContact CB-CZ3 3.81Å; L73-W77 HydrophobicContact CD1-CH2 3.87Å; L73-W77 HydrophobicContact CD1-CZ3 4.07Å; L73-W77 HydrophobicContact CD2-CH2 3.84Å; L73-W77 HydrophobicContact CD2-CZ2 3.77Å; L73-W77 HydrophobicContact CD2-CZ3 4.41Å; L73-W77 HydrophobicContact CG-CH2 4.15Å; L73-W77 HydrophobicContact CG-CZ3 4.31Å; L73-W77 PolarHBondContact O-N 2.84Å; W77-M79 HydrophobicContact CB-CG 3.97Å; W77-M79 PolarHBondContact O-N 3Å; W77-V81 HydrophobicContact CZ3-CG1 4.44Å; W77-V81 HydrophobicContact CZ3-CG2 4.21Å; W77-K84 HydrophobicContact CB-CD 4.36Å; W77-K84 HydrophobicContact CD2-CD 4.18Å; W77-K84 HydrophobicContact CD2-CG 3.91Å; W77-K84 HydrophobicContact CE3-CB 3.78Å; W77-K84 HydrophobicContact CE3-CD 4.25Å; W77-K84 HydrophobicContact CE3-CG 3.59Å; W77-K84 HydrophobicContact CG-CD 4.26Å; W77-K84 HydrophobicContact CG-CG 4.5Å; W77-K84 HydrophobicContact CH2-CG 4.33Å; W77-K84 HydrophobicContact CZ3-CB 3.98Å; W77-K84 HydrophobicContact CZ3-CG 3.82Å; W77-F93 HydrophobicContact CH2-CD2 4.4Å; W77-F93 AromaticContact CH2-CE2 3.78Å; W77-F93 HydrophobicContact CH2-CE2 3.78Å; W77-F93 HydrophobicContact CH2-CZ 4.15Å; W77-F93 AromaticContact CZ3-CE2 3.8Å; W77-F93 HydrophobicContact CZ3-CE2 3.8Å; W77-F93 HydrophobicContact CZ3-CZ 4.35Å; W77-E96 HydrophobicContact CZ2-CB 4.4Å; W77-E97 HydrophobicContact CH2-CB 4.24Å; W77-E97 HydrophobicContact CZ2-CB 4.41Å; W77-T100 PolarHBondContact NE1-OG1 3.19Å
78	K	92.1	Very high	89.1	Confident	192 Å²	192	57.8 Å²	57.8	84%	0.835	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	31.6	-174.4	-54.8	178.6	-178.6	176	0	112.8	E74	E74-K78 VanDerWaalsContact O-CA 3.28Å; E74-K78 WeakPolarHBondContact O-CA 3.35Å; E74-K78 PolarHBondContact O-N 3.38Å
79	M	91.9	Very high	88.5	Confident	51 Å²	51	59.4 Å²	59.4	25%	0.251	35%	0.352	S	S	.	.	S	Bend	trans	-158.3	156.9	178.5	68.9	-168	-55.7	0	0	110.7	E74 W77 A83 K84	E74-M79 WeakPolarHBondContact CA-O 3.38Å; E74-M79 PolarHBondContact O-N 3.42Å; W77-M79 HydrophobicContact CB-CG 3.97Å; W77-M79 PolarHBondContact O-N 3Å; M79-A83 HydrophobicContact CE-CB 3.87Å; M79-K84 HydrophobicContact CG-CB 4.24Å; M79-K84 HydrophobicContact CG-CD 4.11Å; M79-K84 HydrophobicContact SD-CB 4.21Å; M79-K84 HydrophobicContact SD-CD 3.39Å; M79-K84 WeakPolarHBondContact SD-CD 3.44Å; M79-K84 HydrophobicContact SD-CG 4.44Å
80	P	89	Confident	87.9	Confident	69 Å²	69	58 Å²	58	45%	0.448	35%	0.349	S	S	.	.			trans	-62.4	146.8	178.6	-23.9	34.5	0	0	0	113.3	E74 A82 A83 K84	E74-P80 VanDerWaalsContact OE1-CA 3.22Å; E74-P80 WeakPolarHBondContact OE1-CA 3.31Å; P80-A82 VanDerWaalsContact C-N 3.26Å; P80-A82 PolarHBondContact O-N 3.38Å; P80-A83 HydrophobicContact CB-CB 4.36Å; P80-A83 WeakPolarHBondContact O-CB 3.34Å; P80-A83 PolarHBondContact O-N 3.43Å; P80-K84 PolarHBondContact O-N 3.47Å
81	V	86.3	Confident	87.4	Confident	21 Å²	21	63.7 Å²	63.7	13%	0.127	36%	0.364	C	S	.	.	H	α-helix	trans	-56.3	-42.4	179.4	175.7	0	0	0	0	111.3	D69 L73 E74 W77 A83 K84 L85 F93	D69-V81 HydrophobicContact CB-CG2 4.03Å; L73-V81 HydrophobicContact CB-CG2 4.02Å; L73-V81 HydrophobicContact CD1-CG2 4.28Å; E74-V81 HydrophobicContact CG-CG2 3.78Å; E74-V81 PolarHBondContact OE1-N 3.48Å; W77-V81 HydrophobicContact CZ3-CG1 4.44Å; W77-V81 HydrophobicContact CZ3-CG2 4.21Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.07Å; V81-K84 PolarHBondContact O-N 2.67Å; V81-L85 WeakPolarHBondContact O-CB 3.44Å; V81-L85 PolarHBondContact O-N 3.45Å; V81-F93 HydrophobicContact CG1-CE2 3.82Å; V81-F93 HydrophobicContact CG1-CZ 3.64Å
82	A	84.6	Confident	87.1	Confident	75 Å²	75	69 Å²	69	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-37.6	177.3	0	0	0	0	0	112.9	P80 A86	P80-A82 VanDerWaalsContact C-N 3.26Å; P80-A82 PolarHBondContact O-N 3.38Å; A82-A86 PolarHBondContact O-N 3.44Å; A82-A86 VanDerWaalsContact O-N 3.16Å
83	A	85.8	Confident	86.9	Confident	41 Å²	41	68.2 Å²	68.2	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-70.9	-40.9	176.9	0	0	0	0	0	111.2	M79 P80 V81 L85 A86 E87	M79-A83 HydrophobicContact CE-CB 3.87Å; P80-A83 HydrophobicContact CB-CB 4.36Å; P80-A83 WeakPolarHBondContact O-CB 3.34Å; P80-A83 PolarHBondContact O-N 3.43Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.07Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3Å; A83-A86 PolarHBondContact O-N 2.99Å; A83-E87 PolarHBondContact O-N 2.91Å
84	K	86.1	Confident	86.7	Confident	31 Å²	31	69.8 Å²	69.8	14%	0.135	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-41.6	176.8	-167.3	71.7	177.6	164.2	0	112.2	W77 M79 P80 V81 E87 L88 F93	W77-K84 HydrophobicContact CB-CD 4.36Å; W77-K84 HydrophobicContact CD2-CD 4.18Å; W77-K84 HydrophobicContact CD2-CG 3.91Å; W77-K84 HydrophobicContact CE3-CB 3.78Å; W77-K84 HydrophobicContact CE3-CD 4.25Å; W77-K84 HydrophobicContact CE3-CG 3.59Å; W77-K84 HydrophobicContact CG-CD 4.26Å; W77-K84 HydrophobicContact CG-CG 4.5Å; W77-K84 HydrophobicContact CH2-CG 4.33Å; W77-K84 HydrophobicContact CZ3-CB 3.98Å; W77-K84 HydrophobicContact CZ3-CG 3.82Å; M79-K84 HydrophobicContact CG-CB 4.24Å; M79-K84 HydrophobicContact CG-CD 4.11Å; M79-K84 HydrophobicContact SD-CB 4.21Å; M79-K84 HydrophobicContact SD-CD 3.39Å; M79-K84 WeakPolarHBondContact SD-CD 3.44Å; M79-K84 HydrophobicContact SD-CG 4.44Å; P80-K84 PolarHBondContact O-N 3.47Å; V81-K84 PolarHBondContact O-N 2.67Å; K84-E87 IonicContact NZ-OE2 2.76Å; K84-E87 PolarHBondContact O-N 3.18Å; K84-L88 HydrophobicContact CD-CD1 4.26Å; K84-L88 HydrophobicContact CG-CD1 4.15Å; K84-L88 PolarHBondContact O-N 3.04Å; K84-F93 HydrophobicContact CG-CD2 4.47Å
85	L	84.7	Confident	86.6	Confident	32 Å²	32	71 Å²	71	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-43.3	176.8	176	62.5	0	0	0	112.2	V81 A83 E87 G89 F93 W154 V156	V81-L85 WeakPolarHBondContact O-CB 3.44Å; V81-L85 PolarHBondContact O-N 3.45Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3Å; L85-E87 VanDerWaalsContact C-N 3.29Å; L85-E87 PolarHBondContact O-N 3.36Å; L85-G89 PolarHBondContact O-N 3.08Å; L85-F93 HydrophobicContact CB-CD2 3.81Å; L85-F93 HydrophobicContact CB-CE2 3.97Å; L85-F93 HydrophobicContact CB-CG 4.42Å; L85-F93 HydrophobicContact CD1-CB 3.89Å; L85-F93 HydrophobicContact CD1-CD1 4.04Å; L85-F93 HydrophobicContact CD1-CD2 3.93Å; L85-F93 HydrophobicContact CD1-CG 3.66Å; L85-F93 HydrophobicContact CG-CD2 4.5Å; L85-W154 HydrophobicContact CD1-CH2 3.89Å; L85-W154 HydrophobicContact CD1-CZ3 3.79Å; L85-W154 HydrophobicContact CD2-CE3 4.02Å; L85-W154 HydrophobicContact CD2-CH2 4.31Å; L85-W154 HydrophobicContact CD2-CZ3 3.38Å; L85-W154 HydrophobicContact CG-CH2 4.37Å; L85-W154 HydrophobicContact CG-CZ3 3.89Å; L85-V156 HydrophobicContact CD1-CG2 3.9Å; L85-V156 HydrophobicContact CD2-CG2 4.08Å
86	A	84.1	Confident	86.5	Confident	87 Å²	87	70.3 Å²	70.3	72%	0.719	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-33	176	0	0	0	0	0	112.6	A82 A83	A82-A86 PolarHBondContact O-N 3.44Å; A82-A86 VanDerWaalsContact O-N 3.16Å; A83-A86 PolarHBondContact O-N 2.99Å
87	E	86.3	Confident	86.6	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-71.7	-47.3	177.7	-174.2	-165.1	156.6	0	0	112.8	A83 K84 L85	A83-E87 PolarHBondContact O-N 2.91Å; K84-E87 IonicContact NZ-OE2 2.76Å; K84-E87 PolarHBondContact O-N 3.18Å; L85-E87 VanDerWaalsContact C-N 3.29Å; L85-E87 PolarHBondContact O-N 3.36Å
88	L	84.3	Confident	86.5	Confident	43 Å²	43	65.9 Å²	65.9	23%	0.225	35%	0.349	C	S	.	.	H	α-helix	trans	-94.3	-24	-168.6	-67.1	-177.1	0	0	0	114.5	K84 R92 E96	K84-L88 HydrophobicContact CD-CD1 4.26Å; K84-L88 HydrophobicContact CG-CD1 4.15Å; K84-L88 PolarHBondContact O-N 3.04Å; L88-R92 HydrophobicContact CB-CB 4.03Å; L88-E96 HydrophobicContact CD1-CB 4.24Å; L88-E96 HydrophobicContact CD1-CG 3.86Å
89	G	81.2	Confident	86.5	Confident	35 Å²	35	63.4 Å²	63.4	36%	0.361	33%	0.334	S	S	.	.			trans	71.7	165.5	-166.4	0	0	0	0	0	113.1	L85 R91 F93	L85-G89 PolarHBondContact O-N 3.08Å; G89-R91 PolarHBondContact O-N 2.93Å; G89-F93 VanDerWaalsContact O-CB 3.22Å; G89-F93 WeakPolarHBondContact O-CB 3.12Å; G89-F93 PolarHBondContact O-N 2.94Å
90	G	78.6	Confident	86.5	Confident	21 Å²	21	62.3 Å²	62.3	22%	0.216	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-44.5	-165.4	0	0	0	0	0	116.1	L94	G90-L94 WeakPolarHBondContact O-CG 3.43Å; G90-L94 PolarHBondContact O-N 2.74Å; G90-L94 VanDerWaalsContact O-N 3.16Å
91	R	78.8	Confident	86.6	Confident	207 Å²	207	59 Å²	59	78%	0.781	31%	0.309	S	S	*	.	H	α-helix	trans	-68.4	-48.1	-175.8	-169.5	-176.3	-129	147.3	3.4	112.6	G89 F93 L94 E95	G89-R91 PolarHBondContact O-N 2.93Å; R91-F93 VanDerWaalsContact C-N 3.3Å; R91-F93 PolarHBondContact O-N 2.73Å; R91-L94 PolarHBondContact O-N 3.1Å; R91-E95 PolarHBondContact O-N 3.25Å
92	R	85.2	Confident	86.7	Confident	170 Å²	170	59.8 Å²	59.8	64%	0.642	32%	0.315	S	S	*	.	H	α-helix	trans	-68.5	-33.5	178.7	-70.7	-179	177.1	179.4	-0.1	111.6	L88 L94 E95 E96	L88-R92 HydrophobicContact CB-CB 4.03Å; R92-L94 VanDerWaalsContact C-N 3.35Å; R92-E95 PolarHBondContact O-N 3.11Å; R92-E96 WeakPolarHBondContact O-CG 3.22Å; R92-E96 PolarHBondContact O-N 3.34Å; R92-E96 VanDerWaalsContact O-N 3.09Å
93	F	88	Confident	86.8	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.013	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-47.1	172.1	176.8	-88.8	0	0	0	111.7	W77 V81 K84 L85 G89 R91 E95 E96 E97 V156	W77-F93 HydrophobicContact CH2-CD2 4.4Å; W77-F93 AromaticContact CH2-CE2 3.78Å; W77-F93 HydrophobicContact CH2-CE2 3.78Å; W77-F93 HydrophobicContact CH2-CZ 4.15Å; W77-F93 AromaticContact CZ3-CE2 3.8Å; W77-F93 HydrophobicContact CZ3-CE2 3.8Å; W77-F93 HydrophobicContact CZ3-CZ 4.35Å; V81-F93 HydrophobicContact CG1-CE2 3.82Å; V81-F93 HydrophobicContact CG1-CZ 3.64Å; K84-F93 HydrophobicContact CG-CD2 4.47Å; L85-F93 HydrophobicContact CB-CD2 3.81Å; L85-F93 HydrophobicContact CB-CE2 3.97Å; L85-F93 HydrophobicContact CB-CG 4.42Å; L85-F93 HydrophobicContact CD1-CB 3.89Å; L85-F93 HydrophobicContact CD1-CD1 4.04Å; L85-F93 HydrophobicContact CD1-CD2 3.93Å; L85-F93 HydrophobicContact CD1-CG 3.66Å; L85-F93 HydrophobicContact CG-CD2 4.5Å; G89-F93 VanDerWaalsContact O-CB 3.22Å; G89-F93 WeakPolarHBondContact O-CB 3.12Å; G89-F93 PolarHBondContact O-N 2.94Å; R91-F93 VanDerWaalsContact C-N 3.3Å; R91-F93 PolarHBondContact O-N 2.73Å; F93-E95 VanDerWaalsContact C-N 3.32Å; F93-E95 PolarHBondContact O-N 2.74Å; F93-E96 PolarHBondContact O-N 3.13Å; F93-E97 HydrophobicContact CE1-CB 4.32Å; F93-E97 VanDerWaalsContact O-CB 3.26Å; F93-E97 WeakPolarHBondContact O-CB 3.42Å; F93-E97 PolarHBondContact O-N 3.4Å; F93-V156 HydrophobicContact CD1-CG1 3.98Å; F93-V156 HydrophobicContact CD1-CG2 4.02Å; F93-V156 HydrophobicContact CE1-CG1 4.47Å; F93-V156 HydrophobicContact CE1-CG2 3.9Å
94	L	88.4	Confident	86.9	Confident	34 Å²	34	62 Å²	62	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-39.6	179	-72.5	171.3	0	0	0	113	G90 R91 R92 G98 L119 H120 V156	G90-L94 WeakPolarHBondContact O-CG 3.43Å; G90-L94 PolarHBondContact O-N 2.74Å; G90-L94 VanDerWaalsContact O-N 3.16Å; R91-L94 PolarHBondContact O-N 3.1Å; R92-L94 VanDerWaalsContact C-N 3.35Å; L94-G98 PolarHBondContact O-N 2.86Å; L94-L119 HydrophobicContact CD1-CD1 4.28Å; L94-L119 HydrophobicContact CD2-CB 4.17Å; L94-L119 HydrophobicContact CD2-CD1 3.97Å; L94-H120 PolarHBondContact O-CD2 2.95Å; L94-V156 HydrophobicContact CD1-CG1 4.25Å; L94-V156 HydrophobicContact CD2-CG1 3.73Å; L94-V156 HydrophobicContact CG-CG1 3.81Å
95	E	89.9	Confident	86.9	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-43.6	178	-69.7	172.9	-168.8	0	0	111.9	R91 R92 F93 G98 R99	R91-E95 PolarHBondContact O-N 3.25Å; R92-E95 PolarHBondContact O-N 3.11Å; F93-E95 VanDerWaalsContact C-N 3.32Å; F93-E95 PolarHBondContact O-N 2.74Å; E95-G98 PolarHBondContact O-N 3.23Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 VanDerWaalsContact O-CG 3.28Å; E95-R99 WeakPolarHBondContact O-CG 3.45Å; E95-R99 PolarHBondContact O-N 3.44Å
96	E	90	Very high	86.9	Confident	62 Å²	62	63.4 Å²	63.4	29%	0.29	33%	0.327	S	S	.	.	H	α-helix	trans	-70.3	-38.2	178.4	-70.7	-66.3	127.5	0	0	112.5	W77 L88 R92 F93 R99 T100	W77-E96 HydrophobicContact CZ2-CB 4.4Å; L88-E96 HydrophobicContact CD1-CB 4.24Å; L88-E96 HydrophobicContact CD1-CG 3.86Å; R92-E96 WeakPolarHBondContact O-CG 3.22Å; R92-E96 PolarHBondContact O-N 3.34Å; R92-E96 VanDerWaalsContact O-N 3.09Å; F93-E96 PolarHBondContact O-N 3.13Å; E96-R99 IonicContact OE1-CZ 3.44Å; E96-R99 IonicContact OE1-NH1 3.67Å; E96-R99 PolarHBondContact OE1-NH1 3.11Å; E96-T100 PolarHBondContact O-N 2.78Å; E96-T100 VanDerWaalsContact O-N 3.1Å; E96-T100 PolarHBondContact O-OG1 2.77Å
97	E	92.2	Very high	87.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-50.4	171.6	-176.9	-176.9	-125.8	0	0	110.3	L73 W77 F93 R99 T100 L101 T114 S116 N117	L73-E97 HydrophobicContact CD1-CG 4Å; L73-E97 HydrophobicContact CD2-CG 4.34Å; W77-E97 HydrophobicContact CH2-CB 4.24Å; W77-E97 HydrophobicContact CZ2-CB 4.41Å; F93-E97 HydrophobicContact CE1-CB 4.32Å; F93-E97 VanDerWaalsContact O-CB 3.26Å; F93-E97 WeakPolarHBondContact O-CB 3.42Å; F93-E97 PolarHBondContact O-N 3.4Å; E97-R99 PolarHBondContact O-N 3.43Å; E97-T100 PolarHBondContact O-N 3.38Å; E97-L101 PolarHBondContact O-N 3.4Å; E97-L101 VanDerWaalsContact O-N 3.07Å; E97-T114 WeakPolarHBondContact OE1-CB 3.39Å; E97-T114 WeakPolarHBondContact OE1-CG2 3.41Å; E97-T114 PolarHBondContact OE1-OG1 3.44Å; E97-S116 VanDerWaalsContact CD-OG 3.31Å; E97-S116 PolarHBondContact OE1-OG 2.8Å; E97-S116 WeakPolarHBondContact OE2-CB 3.35Å; E97-S116 PolarHBondContact OE2-OG 3.48Å; E97-N117 WeakPolarHBondContact CG-ND2 3.38Å; E97-N117 PolarHBondContact OE1-ND2 2.93Å; E97-N117 PolarHBondContact OE2-N 2.94Å; E97-N117 PolarHBondContact OE2-ND2 3.41Å
98	G	90.1	Very high	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-46.8	177.9	0	0	0	0	0	113.1	L94 E95 T100 L101 S102	L94-G98 PolarHBondContact O-N 2.86Å; E95-G98 PolarHBondContact O-N 3.23Å; G98-T100 VanDerWaalsContact C-N 3.31Å; G98-T100 PolarHBondContact O-N 3.03Å; G98-L101 PolarHBondContact O-N 3.19Å; G98-S102 PolarHBondContact O-N 3.45Å; G98-S102 PolarHBondContact O-OG 2.9Å; G98-S102 VanDerWaalsContact O-OG 3.1Å
99	R	91.8	Very high	87.6	Confident	141 Å²	141	52.7 Å²	52.7	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-40.2	176.8	-76.4	171.9	-177.2	171.1	1.6	113	E95 E96 E97 L101 N103	E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 VanDerWaalsContact O-CG 3.28Å; E95-R99 WeakPolarHBondContact O-CG 3.45Å; E95-R99 PolarHBondContact O-N 3.44Å; E96-R99 IonicContact OE1-CZ 3.44Å; E96-R99 IonicContact OE1-NH1 3.67Å; E96-R99 PolarHBondContact OE1-NH1 3.11Å; E97-R99 PolarHBondContact O-N 3.43Å; R99-L101 VanDerWaalsContact C-N 3.35Å; R99-N103 PolarHBondContact O-ND2 3.28Å
100	T	91	Very high	88.3	Confident	27 Å²	27	51 Å²	51	17%	0.166	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-43.4	178.8	-54.2	0	0	0	0	110.1	V72 L73 A76 W77 E96 E97 G98 N103 F104	V72-T100 HydrophobicContact CG1-CG2 4.34Å; L73-T100 HydrophobicContact CD2-CG2 3.8Å; A76-T100 HydrophobicContact CB-CG2 3.83Å; W77-T100 PolarHBondContact NE1-OG1 3.19Å; E96-T100 PolarHBondContact O-N 2.78Å; E96-T100 VanDerWaalsContact O-N 3.1Å; E96-T100 PolarHBondContact O-OG1 2.77Å; E97-T100 PolarHBondContact O-N 3.38Å; G98-T100 VanDerWaalsContact C-N 3.31Å; G98-T100 PolarHBondContact O-N 3.03Å; T100-N103 PolarHBondContact O-N 2.98Å; T100-F104 PolarHBondContact O-N 3.45Å
101	L	91.3	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.1	-30.8	177.9	-79.4	176.8	0	0	0	114.7	V68 E97 G98 R99 N103 F104 N117 A123 H126 L127	V68-L101 HydrophobicContact CG1-CD1 4.19Å; V68-L101 HydrophobicContact CG1-CD2 3.8Å; V68-L101 HydrophobicContact CG1-CG 4.27Å; V68-L101 HydrophobicContact CG2-CD2 4.14Å; E97-L101 PolarHBondContact O-N 3.4Å; E97-L101 VanDerWaalsContact O-N 3.07Å; G98-L101 PolarHBondContact O-N 3.19Å; R99-L101 VanDerWaalsContact C-N 3.35Å; L101-N103 PolarHBondContact O-N 3.34Å; L101-F104 HydrophobicContact CD2-CB 4.11Å; L101-F104 HydrophobicContact CD2-CG 4.34Å; L101-F104 VanDerWaalsContact O-CB 3.27Å; L101-F104 WeakPolarHBondContact O-CB 3.36Å; L101-F104 PolarHBondContact O-N 3.08Å; L101-N117 HydrophobicContact CD1-CB 3.91Å; L101-N117 WeakPolarHBondContact CD1-ND2 3.39Å; L101-N117 WeakPolarHBondContact CD1-OD1 3.44Å; L101-A123 HydrophobicContact CB-CB 3.98Å; L101-H126 PolarHBondContact O-CD2 2.73Å; L101-L127 HydrophobicContact CD1-CD1 4.42Å
102	S	89.3	Confident	90.1	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-22.3	172.5	-64.1	0	0	0	0	112.5	G98	G98-S102 PolarHBondContact O-N 3.45Å; G98-S102 PolarHBondContact O-OG 2.9Å; G98-S102 VanDerWaalsContact O-OG 3.1Å
103	N	85.8	Confident	90.5	Very high	141 Å²	141	32.4 Å²	32.4	75%	0.754	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-2.3	174.7	-65	-52.6	0	0	0	113.3	R99 T100 L101	R99-N103 PolarHBondContact O-ND2 3.28Å; T100-N103 PolarHBondContact O-N 2.98Å; L101-N103 PolarHBondContact O-N 3.34Å
104	F	87.8	Confident	90.7	Very high	21 Å²	21	32.4 Å²	32.4	9%	0.092	17%	0.172	C	C	.	.			trans	-70.7	135.5	-180	171.2	-102.9	0	0	0	110.7	L66 V72 T100 L101 A106 V111 H126 L127	L66-F104 HydrophobicContact CD1-CE2 4.27Å; L66-F104 HydrophobicContact CD1-CZ 3.97Å; V72-F104 HydrophobicContact CG1-CD2 3.89Å; V72-F104 HydrophobicContact CG2-CD2 3.73Å; V72-F104 HydrophobicContact CG2-CE2 3.58Å; T100-F104 PolarHBondContact O-N 3.45Å; L101-F104 HydrophobicContact CD2-CB 4.11Å; L101-F104 HydrophobicContact CD2-CG 4.34Å; L101-F104 VanDerWaalsContact O-CB 3.27Å; L101-F104 WeakPolarHBondContact O-CB 3.36Å; L101-F104 PolarHBondContact O-N 3.08Å; F104-A106 HydrophobicContact CE1-CB 3.94Å; F104-A106 HydrophobicContact CE2-CB 4.1Å; F104-A106 HydrophobicContact CZ-CB 3.45Å; F104-A106 VanDerWaalsContact CZ-CB 3.45Å; F104-V111 HydrophobicContact CE1-CG1 4.43Å; F104-V111 HydrophobicContact CE1-CG2 4.4Å; F104-V111 HydrophobicContact CZ-CG1 4.35Å; F104-V111 HydrophobicContact CZ-CG2 4.27Å; F104-H126 PolarHBondContact O-NE2 3.05Å; F104-L127 HydrophobicContact CD1-CD2 3.82Å; F104-L127 HydrophobicContact CE1-CD2 4.24Å
105	S	85.3	Confident	90.6	Very high	86 Å²	86	31.2 Å²	31.2	60%	0.601	17%	0.167	S	C	*	.			trans	-140.6	123	175.9	-171.2	0	0	0	0	110
106	A	86.4	Confident	90.6	Very high	8 Å²	8	27.3 Å²	27.3	7%	0.066	15%	0.15	C	C	.	.			trans	-149.3	160.4	173.7	0	0	0	0	0	108.5	N39 L66 F104	N39-A106 PolarHBondContact ND2-O 3.49Å; L66-A106 HydrophobicContact CD1-CB 3.86Å; F104-A106 HydrophobicContact CE1-CB 3.94Å; F104-A106 HydrophobicContact CE2-CB 4.1Å; F104-A106 HydrophobicContact CZ-CB 3.45Å; F104-A106 VanDerWaalsContact CZ-CB 3.45Å
107	S	87.3	Confident	90.7	Very high	17 Å²	17	24.4 Å²	24.4	12%	0.119	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-145.4	147.4	174.8	76.4	0	0	0	0	112.5	F28 V37 N39 C109	F28-S107 WeakPolarHBondContact CD1-OG 3.45Å; V37-S107 VanDerWaalsContact CG1-CB 3.42Å; V37-S107 VanDerWaalsContact O-CB 3.31Å; V37-S107 WeakPolarHBondContact O-CB 3.3Å; N39-S107 VanDerWaalsContact OD1-C 3.28Å; N39-S107 WeakPolarHBondContact OD1-CA 3.42Å; N39-S107 PolarHBondContact OD1-N 3.05Å; S107-C109 PolarHBondContact O-N 3.31Å; S107-C109 PolarHBondContact O-SG 3.07Å
108	G	88.9	Confident	90.7	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	14%	0.136	C	C	.	.	S	Bend	trans	57.6	34.9	-176.7	0	0	0	0	0	113.7	V37 N39	V37-G108 PolarHBondContact O-N 3.41Å; N39-G108 PolarHBondContact OD1-N 3.22Å
109	C	93.3	Very high	90.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	15%	0.149	C	C	.	.			trans	-116.4	156.4	-179.1	-64.1	0	0	0	0	112.1	N39 I40 L66 S107 V111	N39-C109 VanDerWaalsContact CA-O 3.31Å; N39-C109 WeakPolarHBondContact CA-O 3.47Å; N39-C109 PolarHBondContact OD1-N 2.87Å; I40-C109 PolarHBondContact N-O 3.23Å; L66-C109 HydrophobicContact CD1-CB 4.01Å; L66-C109 HydrophobicContact CG-CB 4.41Å; S107-C109 PolarHBondContact O-N 3.31Å; S107-C109 PolarHBondContact O-SG 3.07Å; C109-V111 HydrophobicContact CB-CG2 4.21Å
110	I	95.9	Very high	90.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.3	163.5	-47.4	-56.2	0	0	0	107.8	I40 L42 V57 A58 L61 L63 P64 A65 L66	I40-I110 HydrophobicContact CB-CD1 3.72Å; I40-I110 HydrophobicContact CD1-CD1 3.44Å; I40-I110 VanDerWaalsContact CD1-CD1 3.44Å; I40-I110 HydrophobicContact CG1-CD1 4.03Å; I40-I110 HydrophobicContact CG2-CD1 4.44Å; I40-I110 WeakPolarHBondContact O-CA 3.49Å; L42-I110 HydrophobicContact CD1-CG2 4.14Å; L42-I110 HydrophobicContact CG-CG2 4.25Å; V57-I110 HydrophobicContact CG1-CD1 3.92Å; V57-I110 HydrophobicContact CG1-CG1 4.23Å; A58-I110 HydrophobicContact CB-CB 4.13Å; A58-I110 HydrophobicContact CB-CG1 3.67Å; L61-I110 HydrophobicContact CD1-CD1 4.19Å; L63-I110 HydrophobicContact CB-CG1 4.47Å; L63-I110 HydrophobicContact CD1-CD1 4.17Å; P64-I110 PolarHBondContact O-N 2.89Å; A65-I110 CarbonylContact C-O 3.57Å; A65-I110 WeakPolarHBondContact CA-O 3.49Å; L66-I110 PolarHBondContact N-O 2.96Å
111	V	96.4	Very high	90.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.2	-175.3	-172.5	0	0	0	0	109.4	N39 I40 L41 L42 L66 V68 F104 C109 L113	N39-V111 HydrophobicContact CB-CG2 4.32Å; I40-V111 PolarHBondContact O-N 3.36Å; L41-V111 CarbonylContact C-O 3.58Å; L41-V111 WeakPolarHBondContact CA-O 3.43Å; L41-V111 HydrophobicContact CD2-CB 3.7Å; L41-V111 HydrophobicContact CD2-CG1 4.36Å; L41-V111 HydrophobicContact CD2-CG2 3.93Å; L42-V111 PolarHBondContact N-O 3.17Å; L66-V111 HydrophobicContact CB-CG2 4.46Å; L66-V111 HydrophobicContact CD1-CG2 4.42Å; L66-V111 CarbonylContact O-C 3.43Å; L66-V111 WeakPolarHBondContact O-CA 3.24Å; V68-V111 HydrophobicContact CG2-CG1 3.76Å; F104-V111 HydrophobicContact CE1-CG1 4.43Å; F104-V111 HydrophobicContact CE1-CG2 4.4Å; F104-V111 HydrophobicContact CZ-CG1 4.35Å; F104-V111 HydrophobicContact CZ-CG2 4.27Å; C109-V111 HydrophobicContact CB-CG2 4.21Å; V111-L113 HydrophobicContact CG1-CD2 4.15Å
112	S	97.1	Very high	91	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.1	173.2	-58.5	0	0	0	0	109.1	K50 T51 L66 V68	K50-S112 PolarHBondContact O-OG 3.11Å; T51-S112 WeakPolarHBondContact CA-OG 3.36Å; L66-S112 PolarHBondContact O-N 3.41Å; V68-S112 WeakPolarHBondContact CB-O 3.49Å; V68-S112 WeakPolarHBondContact CG2-O 3.12Å; V68-S112 PolarHBondContact N-O 2.94Å
113	L	95.3	Very high	91.2	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	16%	0.157	C	C	.	.			trans	-74.3	155.5	178.7	-57.8	-175.5	0	0	0	110.8	L41 L42 M43 K50 V68 V111 N117 M124 L127	L41-L113 HydrophobicContact CB-CD1 4.42Å; L42-L113 WeakPolarHBondContact O-CB 3.2Å; L42-L113 PolarHBondContact O-N 2.91Å; M43-L113 HydrophobicContact CB-CD1 4.26Å; K50-L113 WeakPolarHBondContact CD-O 3.41Å; K50-L113 WeakPolarHBondContact CE-O 3.17Å; V68-L113 HydrophobicContact CG2-CD2 4.01Å; V111-L113 HydrophobicContact CG1-CD2 4.15Å; L113-N117 HydrophobicContact CB-CB 4.42Å; L113-M124 HydrophobicContact CD1-CE 4.17Å; L113-M124 HydrophobicContact CD1-SD 4.15Å; L113-L127 HydrophobicContact CD1-CD1 4.4Å; L113-L127 HydrophobicContact CD2-CD1 3.81Å
114	T	91.1	Very high	91.6	Very high	3 Å²	3	20 Å²	20	2%	0.018	12%	0.121	C	C	.	.			trans	-69.2	163	168.6	89.2	0	0	0	0	109.9	V68 D69 L73 E97 S116 N117	V68-T114 HydrophobicContact CB-CG2 3.91Å; V68-T114 HydrophobicContact CG1-CG2 3.54Å; D69-T114 WeakPolarHBondContact OD1-CG2 3.24Å; L73-T114 HydrophobicContact CD1-CG2 3.89Å; E97-T114 WeakPolarHBondContact OE1-CB 3.39Å; E97-T114 WeakPolarHBondContact OE1-CG2 3.41Å; E97-T114 PolarHBondContact OE1-OG1 3.44Å; T114-S116 PolarHBondContact O-N 2.81Å; T114-S116 PolarHBondContact OG1-N 3.49Å; T114-S116 PolarHBondContact OG1-OG 2.77Å; T114-S116 VanDerWaalsContact OG1-OG 3.09Å; T114-N117 PolarHBondContact N-OD1 3.08Å; T114-N117 PolarHBondContact OG1-N 2.87Å; T114-N117 VanDerWaalsContact OG1-N 3.17Å; T114-N117 PolarHBondContact OG1-ND2 3.2Å; T114-N117 PolarHBondContact OG1-OD1 3.31Å
115	G	86.8	Confident	91.9	Very high	8 Å²	8	24.4 Å²	24.4	8%	0.082	14%	0.142	C	C	.	.	S	Bend	trans	-65.6	-20.8	176.1	0	0	0	0	0	114	R171 Y175	G115-R171 PolarHBondContact O-NH1 3.42Å; G115-Y175 PolarHBondContact O-OH 2.82Å
116	S	89.3	Confident	92.2	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.049	13%	0.125	C	C	.	.	S	Bend	trans	-99.9	-18.2	-176.1	39.3	0	0	0	0	114.3	E97 T114 P118 L119	E97-S116 VanDerWaalsContact CD-OG 3.31Å; E97-S116 PolarHBondContact OE1-OG 2.8Å; E97-S116 WeakPolarHBondContact OE2-CB 3.35Å; E97-S116 PolarHBondContact OE2-OG 3.48Å; T114-S116 PolarHBondContact O-N 2.81Å; T114-S116 PolarHBondContact OG1-N 3.49Å; T114-S116 PolarHBondContact OG1-OG 2.77Å; T114-S116 VanDerWaalsContact OG1-OG 3.09Å; S116-P118 VanDerWaalsContact C-CD 3.44Å; S116-P118 VanDerWaalsContact C-N 3.29Å; S116-P118 VanDerWaalsContact O-N 3.15Å; S116-L119 WeakPolarHBondContact O-CB 3.45Å; S116-L119 VanDerWaalsContact O-CG 3.31Å; S116-L119 WeakPolarHBondContact O-CG 3.42Å; S116-L119 PolarHBondContact O-N 3.29Å
117	N	91.6	Very high	92.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-50.7	-41.8	-179.7	-58.8	155.6	0	0	0	114.1	E97 L101 L113 T114 L119 H120 M124	E97-N117 WeakPolarHBondContact CG-ND2 3.38Å; E97-N117 PolarHBondContact OE1-ND2 2.93Å; E97-N117 PolarHBondContact OE2-N 2.94Å; E97-N117 PolarHBondContact OE2-ND2 3.41Å; L101-N117 HydrophobicContact CD1-CB 3.91Å; L101-N117 WeakPolarHBondContact CD1-ND2 3.39Å; L101-N117 WeakPolarHBondContact CD1-OD1 3.44Å; L113-N117 HydrophobicContact CB-CB 4.42Å; T114-N117 PolarHBondContact N-OD1 3.08Å; T114-N117 PolarHBondContact OG1-N 2.87Å; T114-N117 VanDerWaalsContact OG1-N 3.17Å; T114-N117 PolarHBondContact OG1-ND2 3.2Å; T114-N117 PolarHBondContact OG1-OD1 3.31Å; N117-L119 PolarHBondContact O-N 3.14Å; N117-H120 PolarHBondContact O-N 3.39Å; N117-M124 HydrophobicContact CB-SD 4.39Å
118	P	93.3	Very high	92.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.013	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-62.8	-15.1	179.8	-27.6	40.7	0	0	0	115.2	M43 S116 H120 M124 I174 Y175 W178	M43-P118 HydrophobicContact CG-CG 3.59Å; M43-P118 HydrophobicContact SD-CB 3.92Å; M43-P118 HydrophobicContact SD-CG 3.46Å; M43-P118 WeakPolarHBondContact SD-CG 3.45Å; S116-P118 VanDerWaalsContact C-CD 3.44Å; S116-P118 VanDerWaalsContact C-N 3.29Å; S116-P118 VanDerWaalsContact O-N 3.15Å; P118-H120 VanDerWaalsContact C-N 3.27Å; P118-M124 HydrophobicContact CB-SD 4.45Å; P118-M124 HydrophobicContact CG-SD 4.3Å; P118-I174 HydrophobicContact CB-CG2 4.16Å; P118-I174 WeakPolarHBondContact O-CG2 3.43Å; P118-Y175 HydrophobicContact CB-CD1 3.57Å; P118-Y175 HydrophobicContact CB-CE1 3.73Å; P118-Y175 HydrophobicContact CG-CD1 3.61Å; P118-Y175 HydrophobicContact CG-CE1 3.55Å; P118-W178 PolarHBondContact O-NE1 2.84Å
119	L	91.4	Very high	92.8	Very high	51 Å²	51	32 Å²	32	27%	0.267	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-75.1	-16.6	175.9	-53	179.2	0	0	0	112.3	L94 S116 N117 R171 I174	L94-L119 HydrophobicContact CD1-CD1 4.28Å; L94-L119 HydrophobicContact CD2-CB 4.17Å; L94-L119 HydrophobicContact CD2-CD1 3.97Å; S116-L119 WeakPolarHBondContact O-CB 3.45Å; S116-L119 VanDerWaalsContact O-CG 3.31Å; S116-L119 WeakPolarHBondContact O-CG 3.42Å; S116-L119 PolarHBondContact O-N 3.29Å; N117-L119 PolarHBondContact O-N 3.14Å; L119-R171 HydrophobicContact CD2-CG 4.49Å; L119-I174 HydrophobicContact CD2-CB 4.44Å; L119-I174 HydrophobicContact CD2-CD1 3.28Å; L119-I174 HydrophobicContact CD2-CG1 4.42Å; L119-I174 HydrophobicContact CD2-CG2 4.17Å
120	H	93.5	Very high	92.5	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.153	18%	0.181	C	C	.	.			trans	-105.7	106.8	-178.7	-166.8	-71.3	0	0	0	111.7	L94 N117 P118 E122 A123 M124	L94-H120 PolarHBondContact O-CD2 2.95Å; N117-H120 PolarHBondContact O-N 3.39Å; P118-H120 VanDerWaalsContact C-N 3.27Å; H120-E122 PolarHBondContact O-N 2.84Å; H120-A123 HydrophobicContact CB-CB 4.35Å; H120-A123 PolarHBondContact ND1-N 3.27Å; H120-M124 PolarHBondContact O-N 2.97Å
121	G	92.6	Very high	92.3	Very high	31 Å²	31	35.6 Å²	35.6	32%	0.32	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-45.5	-168.7	0	0	0	0	0	115.9	M124 Q125 W178	G121-M124 PolarHBondContact O-N 2.92Å; G121-Q125 WeakPolarHBondContact O-CG 3.41Å; G121-Q125 PolarHBondContact O-N 3.48Å; G121-W178 WeakPolarHBondContact O-CH2 3.12Å
122	E	93	Very high	92.2	Very high	137 Å²	137	35.7 Å²	35.7	64%	0.64	18%	0.183	S	C	*	.	H	α-helix	trans	-65.7	-45.8	-176.9	-62.4	179.8	167.7	0	0	111.8	H120 M124 Q125 H126	H120-E122 PolarHBondContact O-N 2.84Å; E122-M124 VanDerWaalsContact C-N 3.33Å; E122-M124 PolarHBondContact O-N 2.78Å; E122-Q125 WeakPolarHBondContact O-CB 3.33Å; E122-Q125 PolarHBondContact O-N 3.12Å; E122-H126 PolarHBondContact O-N 3.24Å
123	A	92.9	Very high	92.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-45	174.3	0	0	0	0	0	112	L101 H120 H126 L127	L101-A123 HydrophobicContact CB-CB 3.98Å; H120-A123 HydrophobicContact CB-CB 4.35Å; H120-A123 PolarHBondContact ND1-N 3.27Å; A123-H126 PolarHBondContact O-N 3.15Å; A123-L127 WeakPolarHBondContact O-CB 3.31Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.39Å; A123-L127 PolarHBondContact O-N 2.7Å
124	M	95	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-36.3	177.4	-72.6	-56.3	-60.6	0	0	113.3	M43 L113 N117 P118 H120 G121 E122 H126 L127 K128 V133 W178	M43-M124 HydrophobicContact SD-CE 4.21Å; L113-M124 HydrophobicContact CD1-CE 4.17Å; L113-M124 HydrophobicContact CD1-SD 4.15Å; N117-M124 HydrophobicContact CB-SD 4.39Å; P118-M124 HydrophobicContact CB-SD 4.45Å; P118-M124 HydrophobicContact CG-SD 4.3Å; H120-M124 PolarHBondContact O-N 2.97Å; G121-M124 PolarHBondContact O-N 2.92Å; E122-M124 VanDerWaalsContact C-N 3.33Å; E122-M124 PolarHBondContact O-N 2.78Å; M124-H126 VanDerWaalsContact C-N 3.35Å; M124-L127 PolarHBondContact O-N 2.83Å; M124-L127 HydrophobicContact SD-CD1 4.11Å; M124-K128 VanDerWaalsContact O-CB 3.23Å; M124-K128 WeakPolarHBondContact O-CB 3.47Å; M124-K128 PolarHBondContact O-N 2.9Å; M124-V133 HydrophobicContact CE-CG1 4.4Å; M124-W178 HydrophobicContact CB-CD2 3.52Å; M124-W178 HydrophobicContact CB-CE3 3.57Å; M124-W178 HydrophobicContact CB-CG 4.2Å; M124-W178 HydrophobicContact CB-CH2 3.78Å; M124-W178 HydrophobicContact CB-CZ2 3.74Å; M124-W178 HydrophobicContact CB-CZ3 3.69Å; M124-W178 HydrophobicContact CE-CB 3.71Å; M124-W178 HydrophobicContact CE-CD2 4.26Å; M124-W178 HydrophobicContact CE-CG 3.82Å; M124-W178 HydrophobicContact CG-CD2 3.98Å; M124-W178 HydrophobicContact CG-CE3 4.5Å; M124-W178 HydrophobicContact CG-CG 4.19Å; M124-W178 HydrophobicContact CG-CZ2 4.34Å
125	Q	93.7	Very high	92.7	Very high	113 Å²	113	35.6 Å²	35.6	53%	0.528	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-45.8	173.1	-74	174	-3.6	0	0	111.1	G121 E122 K128 Q129 W178	G121-Q125 WeakPolarHBondContact O-CG 3.41Å; G121-Q125 PolarHBondContact O-N 3.48Å; E122-Q125 WeakPolarHBondContact O-CB 3.33Å; E122-Q125 PolarHBondContact O-N 3.12Å; Q125-K128 PolarHBondContact O-N 2.99Å; Q125-Q129 VanDerWaalsContact O-CG 3.3Å; Q125-Q129 WeakPolarHBondContact O-CG 3.48Å; Q125-Q129 PolarHBondContact O-N 3.21Å; Q125-Q129 VanDerWaalsContact O-N 3.15Å; Q125-W178 HydrophobicContact CG-CH2 3.88Å; Q125-W178 HydrophobicContact CG-CZ3 3.83Å
126	H	92.2	Very high	93.2	Very high	53 Å²	53	35.2 Å²	35.2	25%	0.245	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-45.5	176.2	176.3	67.6	0	0	0	112.4	L101 F104 E122 A123 M124 Q129 N130	L101-H126 PolarHBondContact O-CD2 2.73Å; F104-H126 PolarHBondContact O-NE2 3.05Å; E122-H126 PolarHBondContact O-N 3.24Å; A123-H126 PolarHBondContact O-N 3.15Å; M124-H126 VanDerWaalsContact C-N 3.35Å; H126-Q129 PolarHBondContact O-N 3.36Å; H126-N130 PolarHBondContact O-ND2 3.23Å
127	L	92.6	Very high	93.5	Very high	5 Å²	5	35 Å²	35	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-46.1	178.2	-72.8	172.7	0	0	0	112	L41 L101 F104 L113 A123 M124 Q129 N130 G131	L41-L127 HydrophobicContact CD1-CB 3.81Å; L41-L127 WeakPolarHBondContact CD1-O 3.24Å; L101-L127 HydrophobicContact CD1-CD1 4.42Å; F104-L127 HydrophobicContact CD1-CD2 3.82Å; F104-L127 HydrophobicContact CE1-CD2 4.24Å; L113-L127 HydrophobicContact CD1-CD1 4.4Å; L113-L127 HydrophobicContact CD2-CD1 3.81Å; A123-L127 WeakPolarHBondContact O-CB 3.31Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.39Å; A123-L127 PolarHBondContact O-N 2.7Å; M124-L127 PolarHBondContact O-N 2.83Å; M124-L127 HydrophobicContact SD-CD1 4.11Å; L127-Q129 VanDerWaalsContact C-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.4Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.41Å; L127-G131 PolarHBondContact O-N 3.36Å; L127-G131 VanDerWaalsContact O-N 3.12Å
128	K	91.7	Very high	93.6	Very high	74 Å²	74	35.3 Å²	35.3	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-28.4	-179.3	-173.9	166.6	-178.7	139.3	0	113.2	M124 Q125 N130 G131 V133 W178 D180	M124-K128 VanDerWaalsContact O-CB 3.23Å; M124-K128 WeakPolarHBondContact O-CB 3.47Å; M124-K128 PolarHBondContact O-N 2.9Å; Q125-K128 PolarHBondContact O-N 2.99Å; K128-N130 PolarHBondContact O-N 3.2Å; K128-G131 VanDerWaalsContact O-O 3.12Å; K128-V133 HydrophobicContact CB-CG2 4.21Å; K128-V133 HydrophobicContact CG-CG2 4.25Å; K128-W178 PolarHBondContact NZ-O 3.27Å; K128-D180 WeakPolarHBondContact CE-OD1 3.35Å; K128-D180 IonicContact NZ-OD1 2.62Å; K128-D180 PolarHBondContact NZ-OD1 2.72Å; K128-D180 IonicContact NZ-OD2 3.61Å
129	Q	89.6	Confident	93.6	Very high	145 Å²	145	36 Å²	36	68%	0.678	18%	0.182	S	C	*	.	H	α-helix	trans	-65.6	-26.3	172.7	-73.3	169.5	8	0	0	112.7	Q125 H126 L127	Q125-Q129 VanDerWaalsContact O-CG 3.3Å; Q125-Q129 WeakPolarHBondContact O-CG 3.48Å; Q125-Q129 PolarHBondContact O-N 3.21Å; Q125-Q129 VanDerWaalsContact O-N 3.15Å; H126-Q129 PolarHBondContact O-N 3.36Å; L127-Q129 VanDerWaalsContact C-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.4Å
130	N	87.5	Confident	93.4	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	18%	0.182	S	C	.	.	H	α-helix	trans	-112.9	3.2	-171.4	-65.2	-72.4	0	0	0	113.8	N39 H126 L127 K128	N39-N130 PolarHBondContact N-O 3.26Å; N39-N130 PolarHBondContact ND2-O 2.95Å; H126-N130 PolarHBondContact O-ND2 3.23Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.41Å; K128-N130 PolarHBondContact O-N 3.2Å
131	G	92.3	Very high	93.2	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	167.3	-177.9	0	0	0	0	0	114.4	N39 L127 K128	N39-G131 CarbonylContact O-C 3.51Å; N39-G131 WeakPolarHBondContact O-CA 3.31Å; L127-G131 PolarHBondContact O-N 3.36Å; L127-G131 VanDerWaalsContact O-N 3.12Å; K128-G131 VanDerWaalsContact O-O 3.12Å
132	V	94.6	Very high	93	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.4	174.4	-178.1	0	0	0	0	108.6	N39 L41 V134 D180 V181 Y205	N39-V132 PolarHBondContact O-N 2.93Å; L41-V132 PolarHBondContact N-O 2.69Å; V132-V134 HydrophobicContact CG1-CG2 4.49Å; V132-V134 PolarHBondContact O-N 3.03Å; V132-D180 HydrophobicContact CG1-CB 4.03Å; V132-V181 HydrophobicContact CG1-CG2 4.23Å; V132-Y205 HydrophobicContact CB-CE1 4.5Å; V132-Y205 HydrophobicContact CG1-CD1 3.88Å; V132-Y205 HydrophobicContact CG1-CE1 3.95Å; V132-Y205 HydrophobicContact CG1-CG 4.29Å; V132-Y205 HydrophobicContact CG2-CD1 3.99Å; V132-Y205 HydrophobicContact CG2-CE1 3.73Å
133	V	96.8	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108	-179.5	-174.7	0	0	0	0	110.3	L41 M43 M124 K128 D180 V181	L41-V133 HydrophobicContact CD1-CG2 3.93Å; M43-V133 HydrophobicContact CB-CG1 4.16Å; M43-V133 HydrophobicContact CE-CG1 3.74Å; M43-V133 HydrophobicContact SD-CG1 4.02Å; M124-V133 HydrophobicContact CE-CG1 4.4Å; K128-V133 HydrophobicContact CB-CG2 4.21Å; K128-V133 HydrophobicContact CG-CG2 4.25Å; V133-D180 PolarHBondContact N-OD2 3.35Å; V133-D180 PolarHBondContact O-N 2.79Å; V133-V181 PolarHBondContact O-N 3.42Å
134	V	97.9	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.3	177.6	-177.6	0	0	0	0	109.6	I40 L41 L42 M43 V132 L136 V181 V183 V198 V202	I40-V134 HydrophobicContact CG2-CG2 3.92Å; L41-V134 PolarHBondContact O-N 3.36Å; L42-V134 HydrophobicContact CD2-CB 4.02Å; L42-V134 HydrophobicContact CD2-CG1 4.28Å; M43-V134 PolarHBondContact N-O 2.76Å; V132-V134 HydrophobicContact CG1-CG2 4.49Å; V132-V134 PolarHBondContact O-N 3.03Å; V134-L136 HydrophobicContact CG1-CD2 4.38Å; V134-V181 WeakPolarHBondContact CA-O 3.39Å; V134-V183 HydrophobicContact CG1-CB 4.44Å; V134-V183 HydrophobicContact CG1-CG2 3.61Å; V134-V198 HydrophobicContact CG1-CG1 4.4Å; V134-V198 HydrophobicContact CG1-CG2 4.29Å; V134-V202 HydrophobicContact CG2-CG2 3.6Å
135	Y	97.9	Very high	92.3	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.8	175.3	176.7	-138.1	0	0	0	111.1	M43 D137 Y175 E176 L179 V181 R182 V183	M43-Y135 HydrophobicContact CE-CD2 4.15Å; M43-Y135 HydrophobicContact CE-CG 4.13Å; Y135-D137 HydrophobicContact CD1-CB 3.85Å; Y135-D137 HydrophobicContact CE1-CB 3.45Å; Y135-D137 VanDerWaalsContact CE1-CB 3.45Å; Y135-D137 PolarHBondContact O-N 2.74Å; Y135-D137 VanDerWaalsContact O-N 3.15Å; Y135-D137 PolarHBondContact OH-OD1 2.88Å; Y135-Y175 HydrophobicContact CD2-CD2 4.41Å; Y135-Y175 HydrophobicContact CD2-CG 4.36Å; Y135-Y175 AromaticContact CE2-CD2 3.61Å; Y135-Y175 HydrophobicContact CE2-CD2 3.61Å; Y135-Y175 AromaticContact CE2-CG 3.96Å; Y135-Y175 HydrophobicContact CE2-CG 3.96Å; Y135-E176 HydrophobicContact CE1-CG 4.46Å; Y135-L179 HydrophobicContact CD1-CD2 3.61Å; Y135-L179 HydrophobicContact CG-CD2 4.11Å; Y135-V181 PolarHBondContact N-O 3.05Å; Y135-R182 HydrophobicContact CD1-CG 4.2Å; Y135-V183 PolarHBondContact O-N 2.83Å
136	L	97.7	Very high	92.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	90.7	168.7	-56.6	-172.5	0	0	0	109.1	M43 A48 K50 V53 V134 V138 V183 V194 V198	M43-L136 PolarHBondContact O-N 2.87Å; A48-L136 HydrophobicContact CB-CB 4.41Å; K50-L136 HydrophobicContact CG-CD1 4.14Å; V53-L136 HydrophobicContact CB-CD1 4.35Å; V53-L136 HydrophobicContact CG1-CD1 4.36Å; V53-L136 HydrophobicContact CG2-CD1 4.44Å; V134-L136 HydrophobicContact CG1-CD2 4.38Å; L136-V138 PolarHBondContact O-N 3.06Å; L136-V183 HydrophobicContact CD2-CB 4.03Å; L136-V183 HydrophobicContact CD2-CG1 4.21Å; L136-V183 HydrophobicContact CD2-CG2 4.47Å; L136-V194 HydrophobicContact CD2-CG1 4.07Å; L136-V198 HydrophobicContact CD2-CG2 3.56Å
137	D	96.3	Very high	91.8	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	95.9	179.2	-169.1	4.4	0	0	0	109	Y135 R182 V183 C185 R261	Y135-D137 HydrophobicContact CD1-CB 3.85Å; Y135-D137 HydrophobicContact CE1-CB 3.45Å; Y135-D137 VanDerWaalsContact CE1-CB 3.45Å; Y135-D137 PolarHBondContact O-N 2.74Å; Y135-D137 VanDerWaalsContact O-N 3.15Å; Y135-D137 PolarHBondContact OH-OD1 2.88Å; D137-R182 HydrophobicContact CB-CG 3.86Å; D137-R182 IonicContact OD2-CZ 2.83Å; D137-R182 IonicContact OD2-NE 3.86Å; D137-R182 IonicContact OD2-NH1 3.69Å; D137-R182 PolarHBondContact OD2-NH1 3.27Å; D137-V183 PolarHBondContact N-O 2.93Å; D137-C185 WeakPolarHBondContact O-CB 3.46Å; D137-C185 PolarHBondContact O-N 3.25Å; D137-R261 PolarHBondContact O-NH1 3.39Å; D137-R261 PolarHBondContact O-NH2 3.33Å; D137-R261 IonicContact OD1-CZ 3.07Å; D137-R261 IonicContact OD1-NH1 3.89Å; D137-R261 IonicContact OD1-NH2 3.77Å; D137-R261 PolarHBondContact OD1-NH2 2.95Å; D137-R261 IonicContact OD2-NH2 2.79Å
138	V	94.1	Very high	91.4	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	20%	0.201	C	C	.	.			trans	-103	145.9	-179.2	-177.3	0	0	0	0	110	A48 L136 S140 D142 I143 C185 R261	A48-V138 HydrophobicContact CB-CG2 4.04Å; L136-V138 PolarHBondContact O-N 3.06Å; V138-S140 PolarHBondContact O-N 3.27Å; V138-D142 HydrophobicContact CG1-CB 3.99Å; V138-I143 HydrophobicContact CB-CD1 3.83Å; V138-I143 HydrophobicContact CB-CG1 4.07Å; V138-I143 HydrophobicContact CG1-CD1 3.81Å; V138-I143 HydrophobicContact CG1-CG1 3.99Å; V138-I143 HydrophobicContact CG2-CD1 4.46Å; V138-C185 HydrophobicContact CG2-CB 4.13Å; V138-R261 PolarHBondContact O-NH2 3.15Å
139	D	91.5	Very high	91.1	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	22%	0.22	C	C	.	.			trans	-58.1	134.9	175.8	-169.6	-80	0	0	0	110.9	R141 D142 I143	D139-R141 PolarHBondContact O-N 2.76Å; D139-R141 WeakPolarHBondContact OD1-CB 3.28Å; D139-R141 WeakPolarHBondContact OD1-CG 3.43Å; D139-R141 IonicContact OD1-CZ 3.79Å; D139-R141 PolarHBondContact OD1-N 2.95Å; D139-R141 IonicContact OD1-NE 3.97Å; D139-R141 PolarHBondContact OD1-NE 3.23Å; D139-R141 IonicContact OD1-NH2 3.62Å; D139-R141 IonicContact OD2-CZ 3.33Å; D139-R141 IonicContact OD2-NE 3.83Å; D139-R141 IonicContact OD2-NH2 3.72Å; D139-R141 PolarHBondContact OD2-NH2 2.87Å; D139-D142 PolarHBondContact O-N 3.14Å; D139-D142 VanDerWaalsContact O-N 3.12Å; D139-I143 PolarHBondContact O-N 2.95Å; D139-I143 VanDerWaalsContact O-N 3.08Å
140	S	88.9	Confident	90.6	Very high	40 Å²	40	44 Å²	44	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-27.1	-176.7	-53.3	0	0	0	0	112.6	V138 I143 L144	V138-S140 PolarHBondContact O-N 3.27Å; S140-I143 PolarHBondContact O-N 3.12Å; S140-L144 WeakPolarHBondContact O-CB 3.21Å; S140-L144 WeakPolarHBondContact O-CG 3.31Å; S140-L144 PolarHBondContact O-N 3.03Å
141	R	87.6	Confident	90.1	Very high	134 Å²	134	48.3 Å²	48.3	51%	0.506	23%	0.233	S	C	.	.	H	α-helix	trans	-66.6	-44.6	175.1	-63.8	169.8	-72.3	-175.1	-5.6	111	D139 I143 L144 E145	D139-R141 PolarHBondContact O-N 2.76Å; D139-R141 WeakPolarHBondContact OD1-CB 3.28Å; D139-R141 WeakPolarHBondContact OD1-CG 3.43Å; D139-R141 IonicContact OD1-CZ 3.79Å; D139-R141 PolarHBondContact OD1-N 2.95Å; D139-R141 IonicContact OD1-NE 3.97Å; D139-R141 PolarHBondContact OD1-NE 3.23Å; D139-R141 IonicContact OD1-NH2 3.62Å; D139-R141 IonicContact OD2-CZ 3.33Å; D139-R141 IonicContact OD2-NE 3.83Å; D139-R141 IonicContact OD2-NH2 3.72Å; D139-R141 PolarHBondContact OD2-NH2 2.87Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 3.22Å; R141-L144 PolarHBondContact O-N 2.6Å; R141-E145 PolarHBondContact O-N 2.79Å
142	D	88.8	Confident	89.1	Confident	37 Å²	37	50.3 Å²	50.3	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-39.2	177.4	-60.7	-11.8	0	0	0	110.9	V138 D139 R146	V138-D142 HydrophobicContact CG1-CB 3.99Å; D139-D142 PolarHBondContact O-N 3.14Å; D139-D142 VanDerWaalsContact O-N 3.12Å; D142-R146 WeakPolarHBondContact O-CB 3.4Å; D142-R146 WeakPolarHBondContact O-CD 3.29Å; D142-R146 WeakPolarHBondContact O-CG 3.38Å; D142-R146 PolarHBondContact O-N 3.33Å
143	I	90.2	Very high	87.5	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-50.8	173.6	-65.3	-61.5	0	0	0	110.9	P45 P46 A48 V138 D139 S140 R141 E145 R146 L147 L168	P45-I143 HydrophobicContact CG-CD1 3.99Å; P45-I143 HydrophobicContact CG-CG1 4.1Å; P46-I143 WeakPolarHBondContact O-CG2 3.49Å; A48-I143 VanDerWaalsContact CA-CD1 3.49Å; A48-I143 HydrophobicContact CB-CD1 3.99Å; A48-I143 VanDerWaalsContact N-CD1 3.33Å; V138-I143 HydrophobicContact CB-CD1 3.83Å; V138-I143 HydrophobicContact CB-CG1 4.07Å; V138-I143 HydrophobicContact CG1-CD1 3.81Å; V138-I143 HydrophobicContact CG1-CG1 3.99Å; V138-I143 HydrophobicContact CG2-CD1 4.46Å; D139-I143 PolarHBondContact O-N 2.95Å; D139-I143 VanDerWaalsContact O-N 3.08Å; S140-I143 PolarHBondContact O-N 3.12Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 3.22Å; I143-E145 VanDerWaalsContact C-N 3.32Å; I143-E145 PolarHBondContact O-N 3.14Å; I143-R146 PolarHBondContact O-N 2.69Å; I143-L147 HydrophobicContact CG2-CD1 3.71Å; I143-L147 HydrophobicContact CG2-CG 4.18Å; I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 2.79Å; I143-L168 HydrophobicContact CB-CD1 4.21Å; I143-L168 HydrophobicContact CG2-CD1 3.67Å; I143-L168 HydrophobicContact CG2-CD2 3.94Å; I143-L168 HydrophobicContact CG2-CG 4.48Å
144	L	89	Confident	85.9	Confident	64 Å²	64	62.1 Å²	62.1	34%	0.335	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-41	-179.1	-71.2	169.5	0	0	0	111.9	S140 R141 L147 G148 M164 R165 L168	S140-L144 WeakPolarHBondContact O-CB 3.21Å; S140-L144 WeakPolarHBondContact O-CG 3.31Å; S140-L144 PolarHBondContact O-N 3.03Å; R141-L144 PolarHBondContact O-N 2.6Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-G148 PolarHBondContact O-N 2.95Å; L144-M164 HydrophobicContact CD2-CB 3.67Å; L144-M164 HydrophobicContact CD2-CG 3.39Å; L144-R165 HydrophobicContact CD1-CB 4.5Å; L144-L168 HydrophobicContact CD2-CD1 4.06Å; L144-L168 HydrophobicContact CG-CD1 4.13Å
145	E	88.3	Confident	84.7	Confident	104 Å²	104	62.5 Å²	62.5	49%	0.486	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-45.4	176.1	-172.9	-180	-174.5	0	0	111.7	R141 I143 G148 R149	R141-E145 PolarHBondContact O-N 2.79Å; I143-E145 VanDerWaalsContact C-N 3.32Å; I143-E145 PolarHBondContact O-N 3.14Å; E145-G148 PolarHBondContact O-N 2.83Å; E145-R149 WeakPolarHBondContact O-CG 3.39Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 VanDerWaalsContact O-N 3.09Å; E145-R149 IonicContact OE1-CZ 3.39Å; E145-R149 IonicContact OE1-NE 2.67Å; E145-R149 IonicContact OE1-NH2 3.92Å; E145-R149 PolarHBondContact OE1-NH2 2.96Å
146	R	89	Confident	83.2	Confident	71 Å²	71	62.8 Å²	62.8	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-43.7	177.7	-70.9	169.5	-171.4	-178.8	2.6	111.8	G47 D142 I143 G148 R149 M150	G47-R146 WeakPolarHBondContact O-CD 3.44Å; G47-R146 PolarHBondContact O-NH1 2.94Å; D142-R146 WeakPolarHBondContact O-CB 3.4Å; D142-R146 WeakPolarHBondContact O-CD 3.29Å; D142-R146 WeakPolarHBondContact O-CG 3.38Å; D142-R146 PolarHBondContact O-N 3.33Å; I143-R146 PolarHBondContact O-N 2.69Å; R146-G148 VanDerWaalsContact C-N 3.33Å; R146-G148 PolarHBondContact O-N 3.4Å; R146-R149 PolarHBondContact O-N 3.09Å; R146-M150 VanDerWaalsContact O-CG 3.25Å; R146-M150 WeakPolarHBondContact O-CG 3.46Å; R146-M150 PolarHBondContact O-N 3.38Å
147	L	86.3	Confident	81.6	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-40.1	177.4	-69.1	174.7	0	0	0	112	P46 I143 L144 R149 M150 E151 V152 I155 M164	P46-L147 HydrophobicContact CB-CD2 3.93Å; I143-L147 HydrophobicContact CG2-CD1 3.71Å; I143-L147 HydrophobicContact CG2-CG 4.18Å; I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 2.79Å; L144-L147 PolarHBondContact O-N 2.9Å; L147-R149 PolarHBondContact O-N 2.83Å; L147-M150 CarbonylContact O-C 3.47Å; L147-M150 PolarHBondContact O-N 3.22Å; L147-M150 VanDerWaalsContact O-N 3.15Å; L147-E151 PolarHBondContact O-N 3.17Å; L147-E151 VanDerWaalsContact O-N 3.13Å; L147-V152 HydrophobicContact CB-CB 4.48Å; L147-V152 HydrophobicContact CD2-CB 3.97Å; L147-V152 HydrophobicContact CD2-CG1 4.03Å; L147-V152 HydrophobicContact CD2-CG2 4.45Å; L147-V152 PolarHBondContact O-N 2.98Å; L147-I155 HydrophobicContact CD1-CD1 3.93Å; L147-M164 HydrophobicContact CD1-CG 4.32Å; L147-M164 HydrophobicContact CD1-SD 4.36Å
148	G	83.8	Confident	80.1	Confident	49 Å²	49	66.6 Å²	66.6	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-43	174	0	0	0	0	0	112.6	L144 E145 R146 M150 E151	L144-G148 PolarHBondContact O-N 2.95Å; E145-G148 PolarHBondContact O-N 2.83Å; R146-G148 VanDerWaalsContact C-N 3.33Å; R146-G148 PolarHBondContact O-N 3.4Å; G148-M150 VanDerWaalsContact C-N 3.27Å; G148-M150 PolarHBondContact O-N 3.3Å; G148-E151 PolarHBondContact O-N 3.43Å
149	R	84.9	Confident	78.9	Confident	188 Å²	188	73.5 Å²	73.5	71%	0.709	37%	0.366	S	S	*	.	H	α-helix	trans	-67	-26.7	175.1	-66.8	175	-173.8	-171.1	2	113.5	E145 R146 L147 E151	E145-R149 WeakPolarHBondContact O-CG 3.39Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 VanDerWaalsContact O-N 3.09Å; E145-R149 IonicContact OE1-CZ 3.39Å; E145-R149 IonicContact OE1-NE 2.67Å; E145-R149 IonicContact OE1-NH2 3.92Å; E145-R149 PolarHBondContact OE1-NH2 2.96Å; R146-R149 PolarHBondContact O-N 3.09Å; L147-R149 PolarHBondContact O-N 2.83Å; R149-E151 VanDerWaalsContact C-N 3.32Å
150	M	79.7	Confident	77.7	Confident	118 Å²	118	80.7 Å²	80.7	58%	0.581	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	0.8	176.8	-66	171.7	65.3	0	0	113	R146 L147 G148 V152	R146-M150 VanDerWaalsContact O-CG 3.25Å; R146-M150 WeakPolarHBondContact O-CG 3.46Å; R146-M150 PolarHBondContact O-N 3.38Å; L147-M150 CarbonylContact O-C 3.47Å; L147-M150 PolarHBondContact O-N 3.22Å; L147-M150 VanDerWaalsContact O-N 3.15Å; G148-M150 VanDerWaalsContact C-N 3.27Å; G148-M150 PolarHBondContact O-N 3.3Å; M150-V152 HydrophobicContact CB-CG2 3.82Å; M150-V152 HydrophobicContact CE-CG2 4.46Å; M150-V152 PolarHBondContact O-N 3.03Å
151	E	76.5	Confident	76.8	Confident	164 Å²	164	82.9 Å²	82.9	77%	0.766	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	27.9	-174.5	-56.3	-173.3	149	0	0	113.7	L147 G148 R149 N153	L147-E151 PolarHBondContact O-N 3.17Å; L147-E151 VanDerWaalsContact O-N 3.13Å; G148-E151 PolarHBondContact O-N 3.43Å; R149-E151 VanDerWaalsContact C-N 3.32Å; E151-N153 PolarHBondContact O-N 3Å
152	V	71.6	Confident	76.4	Confident	46 Å²	46	79 Å²	79	28%	0.279	43%	0.425	S	S	.	.			trans	-87	99.3	178.6	179.4	0	0	0	0	109.3	L147 M150 I155	L147-V152 HydrophobicContact CB-CB 4.48Å; L147-V152 HydrophobicContact CD2-CB 3.97Å; L147-V152 HydrophobicContact CD2-CG1 4.03Å; L147-V152 HydrophobicContact CD2-CG2 4.45Å; L147-V152 PolarHBondContact O-N 2.98Å; M150-V152 HydrophobicContact CB-CG2 3.82Å; M150-V152 HydrophobicContact CE-CG2 4.46Å; M150-V152 PolarHBondContact O-N 3.03Å; V152-I155 HydrophobicContact CG1-CG1 4.33Å
153	N	61.7	Low	76.3	Confident	137 Å²	137	79.7 Å²	79.7	73%	0.733	43%	0.433	S	S	*	.			trans	-97.4	-5.6	-177.3	-64.1	-38.5	0	0	0	114.2	E151	E151-N153 PolarHBondContact O-N 3Å
154	W	61.4	Low	76	Confident	112 Å²	112	81 Å²	81	42%	0.424	44%	0.439	S	S	.	.			trans	-145.6	139.5	-177.2	-169.8	88	0	0	0	111.6	L85 V156 Q158	L85-W154 HydrophobicContact CD1-CH2 3.89Å; L85-W154 HydrophobicContact CD1-CZ3 3.79Å; L85-W154 HydrophobicContact CD2-CE3 4.02Å; L85-W154 HydrophobicContact CD2-CH2 4.31Å; L85-W154 HydrophobicContact CD2-CZ3 3.38Å; L85-W154 HydrophobicContact CG-CH2 4.37Å; L85-W154 HydrophobicContact CG-CZ3 3.89Å; W154-V156 HydrophobicContact CZ3-CB 4.39Å; W154-V156 HydrophobicContact CZ3-CG2 4.04Å; W154-Q158 PolarHBondContact NE1-O 2.75Å
155	I	72.7	Confident	75.8	Confident	8 Å²	8	85.8 Å²	85.8	4%	0.041	45%	0.453	C	S	.	.			trans	-128.4	145.4	175.9	-62.9	179.8	0	0	0	109.8	P46 L147 V152 G157 Q158 M164 R171	P46-I155 HydrophobicContact CB-CD1 4.09Å; P46-I155 HydrophobicContact CG-CD1 3.89Å; P46-I155 HydrophobicContact CG-CG1 4.37Å; P46-I155 HydrophobicContact CG-CG2 4.19Å; L147-I155 HydrophobicContact CD1-CD1 3.93Å; V152-I155 HydrophobicContact CG1-CG1 4.33Å; I155-G157 PolarHBondContact O-N 3.19Å; I155-Q158 WeakPolarHBondContact O-CB 3.27Å; I155-Q158 PolarHBondContact O-N 2.9Å; I155-M164 HydrophobicContact CB-CE 4.42Å; I155-M164 HydrophobicContact CB-SD 4.42Å; I155-M164 HydrophobicContact CD1-CE 3.92Å; I155-M164 HydrophobicContact CD1-SD 3.37Å; I155-M164 WeakPolarHBondContact CD1-SD 2.98Å; I155-M164 HydrophobicContact CG1-CE 3.83Å; I155-M164 HydrophobicContact CG1-SD 3.91Å; I155-R171 VanDerWaalsContact CG2-NH1 3.28Å
156	V	67.5	Low	75.7	Confident	14 Å²	14	84.8 Å²	84.8	9%	0.085	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	125.2	179	-177.8	0	0	0	0	112.3	L85 F93 L94 W154 R171	L85-V156 HydrophobicContact CD1-CG2 3.9Å; L85-V156 HydrophobicContact CD2-CG2 4.08Å; F93-V156 HydrophobicContact CD1-CG1 3.98Å; F93-V156 HydrophobicContact CD1-CG2 4.02Å; F93-V156 HydrophobicContact CE1-CG1 4.47Å; F93-V156 HydrophobicContact CE1-CG2 3.9Å; L94-V156 HydrophobicContact CD1-CG1 4.25Å; L94-V156 HydrophobicContact CD2-CG1 3.73Å; L94-V156 HydrophobicContact CG-CG1 3.81Å; W154-V156 HydrophobicContact CZ3-CB 4.39Å; W154-V156 HydrophobicContact CZ3-CG2 4.04Å; V156-R171 PolarHBondContact O-NH2 3.35Å
157	G	62.9	Low	75.6	Confident	50 Å²	50	81.9 Å²	81.9	52%	0.515	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	5.7	-178.1	0	0	0	0	0	114.8	I155 E159	I155-G157 PolarHBondContact O-N 3.19Å; G157-E159 PolarHBondContact O-N 2.94Å
158	Q	66.5	Low	75.7	Confident	33 Å²	33	82 Å²	82	15%	0.154	44%	0.441	C	S	.	.			trans	-76.3	111.7	169	-179.3	155.1	18.7	0	0	110.8	W154 I155 V162 M164 I167	W154-Q158 PolarHBondContact NE1-O 2.75Å; I155-Q158 WeakPolarHBondContact O-CB 3.27Å; I155-Q158 PolarHBondContact O-N 2.9Å; Q158-V162 PolarHBondContact NE2-O 3.28Å; Q158-V162 VanDerWaalsContact NE2-O 3.16Å; Q158-M164 VanDerWaalsContact OE1-CE 3.3Å; Q158-I167 HydrophobicContact CB-CD1 3.44Å; Q158-I167 VanDerWaalsContact CB-CD1 3.44Å; Q158-I167 VanDerWaalsContact CD-CD1 3.48Å; Q158-I167 HydrophobicContact CG-CD1 3.33Å
159	E	68.2	Low	75.9	Confident	151 Å²	151	83.4 Å²	83.4	71%	0.706	44%	0.437	S	S	*	.			trans	-81.2	155.1	169.4	-64.5	-174.9	174.4	0	0	111.1	G157 G161 V162	G157-E159 PolarHBondContact O-N 2.94Å; E159-G161 PolarHBondContact O-N 2.94Å; E159-V162 HydrophobicContact CB-CG2 4.14Å; E159-V162 PolarHBondContact O-N 2.83Å
160	D	66.1	Low	76	Confident	169 Å²	169	81.3 Å²	81.3	90%	0.904	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.5	178.5	-73.1	-27	0	0	0	110.8
161	G	70.2	Confident	76.5	Confident	86 Å²	86	75.9 Å²	75.9	89%	0.887	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-6.1	178.4	0	0	0	0	0	115.9	E159	E159-G161 PolarHBondContact O-N 2.94Å
162	V	79.7	Confident	77.2	Confident	54 Å²	54	69.5 Å²	69.5	33%	0.327	37%	0.372	S	S	.	.			trans	-85.5	130.1	174.5	-173	0	0	0	0	110.5	Q158 E159 D166 I167	Q158-V162 PolarHBondContact NE2-O 3.28Å; Q158-V162 VanDerWaalsContact NE2-O 3.16Å; E159-V162 HydrophobicContact CB-CG2 4.14Å; E159-V162 PolarHBondContact O-N 2.83Å; V162-D166 HydrophobicContact CG1-CB 3.95Å; V162-I167 HydrophobicContact CB-CD1 4.37Å; V162-I167 HydrophobicContact CG1-CD1 4.12Å; V162-I167 HydrophobicContact CG1-CG1 3.77Å
163	S	85.3	Confident	78.1	Confident	51 Å²	51	73.6 Å²	73.6	36%	0.357	39%	0.388	S	S	.	.			trans	-71.4	149.7	179.5	86.2	0	0	0	0	111.6	R165 D166 I167	S163-R165 PolarHBondContact O-N 2.84Å; S163-R165 PolarHBondContact OG-N 3.29Å; S163-D166 WeakPolarHBondContact CB-OD2 3.29Å; S163-D166 PolarHBondContact O-N 3.11Å; S163-D166 VanDerWaalsContact O-N 3.1Å; S163-D166 PolarHBondContact OG-N 2.79Å; S163-D166 PolarHBondContact OG-OD2 2.82Å; S163-I167 PolarHBondContact O-N 3.33Å
164	M	84.3	Confident	79.6	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.138	36%	0.361	C	S	.	.	H	α-helix	trans	-56.9	-34.2	175.4	-171.9	60.2	68.8	0	0	112	L144 L147 I155 Q158 I167 L168	L144-M164 HydrophobicContact CD2-CB 3.67Å; L144-M164 HydrophobicContact CD2-CG 3.39Å; L147-M164 HydrophobicContact CD1-CG 4.32Å; L147-M164 HydrophobicContact CD1-SD 4.36Å; I155-M164 HydrophobicContact CB-CE 4.42Å; I155-M164 HydrophobicContact CB-SD 4.42Å; I155-M164 HydrophobicContact CD1-CE 3.92Å; I155-M164 HydrophobicContact CD1-SD 3.37Å; I155-M164 WeakPolarHBondContact CD1-SD 2.98Å; I155-M164 HydrophobicContact CG1-CE 3.83Å; I155-M164 HydrophobicContact CG1-SD 3.91Å; Q158-M164 VanDerWaalsContact OE1-CE 3.3Å; M164-I167 PolarHBondContact O-N 2.88Å; M164-L168 HydrophobicContact CG-CD1 4.4Å; M164-L168 VanDerWaalsContact O-CG 3.29Å; M164-L168 WeakPolarHBondContact O-CG 3.4Å; M164-L168 PolarHBondContact O-N 3Å
165	R	85.9	Confident	81.2	Confident	164 Å²	164	63.2 Å²	63.2	62%	0.619	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-44.7	177.5	-175	179.5	-178.7	177.2	-0.6	111.6	L144 S163 I167 L168 L169	L144-R165 HydrophobicContact CD1-CB 4.5Å; S163-R165 PolarHBondContact O-N 2.84Å; S163-R165 PolarHBondContact OG-N 3.29Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 2.93Å; R165-L168 PolarHBondContact O-N 3.21Å; R165-L169 HydrophobicContact CG-CD1 4.36Å; R165-L169 WeakPolarHBondContact O-CG 3.21Å; R165-L169 PolarHBondContact O-N 3.12Å
166	D	86	Confident	82.1	Confident	83 Å²	83	63.1 Å²	63.1	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-37.3	-179.8	-58.3	-39.5	0	0	0	111.1	V162 S163 L169 Y170	V162-D166 HydrophobicContact CG1-CB 3.95Å; S163-D166 WeakPolarHBondContact CB-OD2 3.29Å; S163-D166 PolarHBondContact O-N 3.11Å; S163-D166 VanDerWaalsContact O-N 3.1Å; S163-D166 PolarHBondContact OG-N 2.79Å; S163-D166 PolarHBondContact OG-OD2 2.82Å; D166-L169 PolarHBondContact O-N 3.35Å; D166-Y170 WeakPolarHBondContact O-CB 3.17Å; D166-Y170 PolarHBondContact O-N 3.34Å
167	I	86.5	Confident	83.3	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-42.4	175.4	-68.1	161.1	0	0	0	111.5	Q158 V162 S163 M164 R165 L169 Y170 R171	Q158-I167 HydrophobicContact CB-CD1 3.44Å; Q158-I167 VanDerWaalsContact CB-CD1 3.44Å; Q158-I167 VanDerWaalsContact CD-CD1 3.48Å; Q158-I167 HydrophobicContact CG-CD1 3.33Å; V162-I167 HydrophobicContact CB-CD1 4.37Å; V162-I167 HydrophobicContact CG1-CD1 4.12Å; V162-I167 HydrophobicContact CG1-CG1 3.77Å; S163-I167 PolarHBondContact O-N 3.33Å; M164-I167 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 2.93Å; I167-L169 VanDerWaalsContact C-N 3.33Å; I167-Y170 PolarHBondContact O-N 3.34Å; I167-R171 HydrophobicContact CG2-CG 4.35Å; I167-R171 WeakPolarHBondContact O-CB 3.38Å; I167-R171 VanDerWaalsContact O-CG 3.3Å; I167-R171 WeakPolarHBondContact O-CG 3.46Å; I167-R171 PolarHBondContact O-N 2.82Å
168	L	88.8	Confident	84.8	Confident	8 Å²	8	66.9 Å²	66.9	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-40.4	175.9	-69.9	173.3	0	0	0	111.4	P45 I143 L144 M164 R165 R171 K172	P45-L168 HydrophobicContact CB-CD2 3.52Å; P45-L168 HydrophobicContact CG-CD2 4.19Å; I143-L168 HydrophobicContact CB-CD1 4.21Å; I143-L168 HydrophobicContact CG2-CD1 3.67Å; I143-L168 HydrophobicContact CG2-CD2 3.94Å; I143-L168 HydrophobicContact CG2-CG 4.48Å; L144-L168 HydrophobicContact CD2-CD1 4.06Å; L144-L168 HydrophobicContact CG-CD1 4.13Å; M164-L168 HydrophobicContact CG-CD1 4.4Å; M164-L168 VanDerWaalsContact O-CG 3.29Å; M164-L168 WeakPolarHBondContact O-CG 3.4Å; M164-L168 PolarHBondContact O-N 3Å; R165-L168 PolarHBondContact O-N 3.21Å; L168-R171 PolarHBondContact O-N 2.94Å; L168-K172 WeakPolarHBondContact O-CB 3.38Å; L168-K172 PolarHBondContact O-N 3.24Å
169	L	86.9	Confident	86.2	Confident	78 Å²	78	65.5 Å²	65.5	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-44.3	174.9	-74	169.6	0	0	0	111.9	R165 D166 I167 K172	R165-L169 HydrophobicContact CG-CD1 4.36Å; R165-L169 WeakPolarHBondContact O-CG 3.21Å; R165-L169 PolarHBondContact O-N 3.12Å; D166-L169 PolarHBondContact O-N 3.35Å; I167-L169 VanDerWaalsContact C-N 3.33Å; L169-K172 WeakPolarHBondContact O-CB 3.37Å; L169-K172 PolarHBondContact O-N 3.44Å
170	Y	88.3	Confident	87.5	Confident	143 Å²	143	59.2 Å²	59.2	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-47.7	175.2	175	-104.8	0	0	0	111.6	D166 I167 K172 Q173 I174	D166-Y170 WeakPolarHBondContact O-CB 3.17Å; D166-Y170 PolarHBondContact O-N 3.34Å; I167-Y170 PolarHBondContact O-N 3.34Å; Y170-K172 VanDerWaalsContact C-N 3.33Å; Y170-K172 PolarHBondContact O-N 3Å; Y170-Q173 WeakPolarHBondContact O-CB 3.47Å; Y170-Q173 PolarHBondContact O-N 3.11Å; Y170-I174 HydrophobicContact CD1-CD1 4.18Å; Y170-I174 HydrophobicContact CE1-CD1 3.53Å
171	R	90	Very high	88.9	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-33.7	179.6	-76.2	175.7	165.2	-138.9	-6.7	113.1	G115 L119 I155 V156 I167 L168 Q173 I174 Y175	G115-R171 PolarHBondContact O-NH1 3.42Å; L119-R171 HydrophobicContact CD2-CG 4.49Å; I155-R171 VanDerWaalsContact CG2-NH1 3.28Å; V156-R171 PolarHBondContact O-NH2 3.35Å; I167-R171 HydrophobicContact CG2-CG 4.35Å; I167-R171 WeakPolarHBondContact O-CB 3.38Å; I167-R171 VanDerWaalsContact O-CG 3.3Å; I167-R171 WeakPolarHBondContact O-CG 3.46Å; I167-R171 PolarHBondContact O-N 2.82Å; L168-R171 PolarHBondContact O-N 2.94Å; R171-Q173 PolarHBondContact O-N 3.25Å; R171-I174 WeakPolarHBondContact O-CA 3.37Å; R171-I174 WeakPolarHBondContact O-CB 3.29Å; R171-I174 PolarHBondContact O-N 3.19Å; R171-Y175 HydrophobicContact CB-CD2 4.4Å; R171-Y175 HydrophobicContact CB-CE1 4.49Å; R171-Y175 HydrophobicContact CB-CE2 3.78Å; R171-Y175 PolarHBondContact NH1-OH 2.86Å; R171-Y175 WeakPolarHBondContact O-CD2 3.28Å; R171-Y175 VanDerWaalsContact O-CG 3.27Å; R171-Y175 PolarHBondContact O-N 3.26Å
172	K	91.5	Very high	90.2	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.13	23%	0.228	C	C	.	.	H	α-helix	trans	-53.5	-43.9	174.6	-176.8	-178.2	176.3	-172.7	0	111.1	L168 L169 Y170 I174 Y175 E176 E269	L168-K172 WeakPolarHBondContact O-CB 3.38Å; L168-K172 PolarHBondContact O-N 3.24Å; L169-K172 WeakPolarHBondContact O-CB 3.37Å; L169-K172 PolarHBondContact O-N 3.44Å; Y170-K172 VanDerWaalsContact C-N 3.33Å; Y170-K172 PolarHBondContact O-N 3Å; K172-I174 PolarHBondContact O-N 2.88Å; K172-Y175 PolarHBondContact O-N 2.85Å; K172-E176 VanDerWaalsContact CE-OE1 3.29Å; K172-E176 WeakPolarHBondContact CE-OE1 3.42Å; K172-E176 HydrophobicContact CG-CG 4.41Å; K172-E176 WeakPolarHBondContact O-CB 3.5Å; K172-E176 VanDerWaalsContact O-CG 3.26Å; K172-E176 WeakPolarHBondContact O-CG 3.24Å; K172-E176 PolarHBondContact O-N 3.31Å; K172-E269 IonicContact NZ-OE1 3.75Å; K172-E269 PolarHBondContact NZ-OE1 3.3Å
173	Q	90.4	Very high	91.1	Very high	132 Å²	132	46.3 Å²	46.3	62%	0.617	21%	0.213	S	C	*	.	H	α-helix	trans	-61.7	-34.7	178.2	-57.8	178.1	20	0	0	112.2	Y170 R171 K177	Y170-Q173 WeakPolarHBondContact O-CB 3.47Å; Y170-Q173 PolarHBondContact O-N 3.11Å; R171-Q173 PolarHBondContact O-N 3.25Å; Q173-K177 PolarHBondContact O-N 3Å
174	I	92.3	Very high	91.6	Very high	30 Å²	30	44.3 Å²	44.3	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-76.3	-41.5	178.2	-59.7	174.8	0	0	0	110.9	P118 L119 Y170 R171 K172 E176 K177	P118-I174 HydrophobicContact CB-CG2 4.16Å; P118-I174 WeakPolarHBondContact O-CG2 3.43Å; L119-I174 HydrophobicContact CD2-CB 4.44Å; L119-I174 HydrophobicContact CD2-CD1 3.28Å; L119-I174 HydrophobicContact CD2-CG1 4.42Å; L119-I174 HydrophobicContact CD2-CG2 4.17Å; Y170-I174 HydrophobicContact CD1-CD1 4.18Å; Y170-I174 HydrophobicContact CE1-CD1 3.53Å; R171-I174 WeakPolarHBondContact O-CA 3.37Å; R171-I174 WeakPolarHBondContact O-CB 3.29Å; R171-I174 PolarHBondContact O-N 3.19Å; K172-I174 PolarHBondContact O-N 2.88Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 3.31Å; I174-K177 VanDerWaalsContact O-CB 3.31Å; I174-K177 WeakPolarHBondContact O-CB 3.36Å; I174-K177 PolarHBondContact O-N 3.41Å; I174-K177 VanDerWaalsContact O-N 3.15Å
175	Y	94.4	Very high	92.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174.5	-60.3	-28	0	0	0	111.2	M43 P45 G115 P118 Y135 R171 K172 K177 W178 L179	M43-Y175 WeakPolarHBondContact CE-O 3.43Å; M43-Y175 HydrophobicContact CG-CD1 4.07Å; M43-Y175 HydrophobicContact SD-CD1 4Å; M43-Y175 HydrophobicContact SD-CG 4.48Å; P45-Y175 WeakPolarHBondContact CA-OH 3.45Å; P45-Y175 HydrophobicContact CB-CE2 3.99Å; P45-Y175 HydrophobicContact CG-CE2 4.24Å; G115-Y175 PolarHBondContact O-OH 2.82Å; P118-Y175 HydrophobicContact CB-CD1 3.57Å; P118-Y175 HydrophobicContact CB-CE1 3.73Å; P118-Y175 HydrophobicContact CG-CD1 3.61Å; P118-Y175 HydrophobicContact CG-CE1 3.55Å; Y135-Y175 HydrophobicContact CD2-CD2 4.41Å; Y135-Y175 HydrophobicContact CD2-CG 4.36Å; Y135-Y175 AromaticContact CE2-CD2 3.61Å; Y135-Y175 HydrophobicContact CE2-CD2 3.61Å; Y135-Y175 AromaticContact CE2-CG 3.96Å; Y135-Y175 HydrophobicContact CE2-CG 3.96Å; R171-Y175 HydrophobicContact CB-CD2 4.4Å; R171-Y175 HydrophobicContact CB-CE1 4.49Å; R171-Y175 HydrophobicContact CB-CE2 3.78Å; R171-Y175 PolarHBondContact NH1-OH 2.86Å; R171-Y175 WeakPolarHBondContact O-CD2 3.28Å; R171-Y175 VanDerWaalsContact O-CG 3.27Å; R171-Y175 PolarHBondContact O-N 3.26Å; K172-Y175 PolarHBondContact O-N 2.85Å; Y175-K177 PolarHBondContact O-N 3.45Å; Y175-W178 PolarHBondContact O-N 3.45Å; Y175-W178 VanDerWaalsContact O-N 3.14Å; Y175-L179 PolarHBondContact O-N 2.85Å
176	E	92.3	Very high	92.6	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-22.3	177.3	-71.7	176.1	151.4	0	0	113.9	Y135 K172 I174 L179 R182 R290	Y135-E176 HydrophobicContact CE1-CG 4.46Å; K172-E176 VanDerWaalsContact CE-OE1 3.29Å; K172-E176 WeakPolarHBondContact CE-OE1 3.42Å; K172-E176 HydrophobicContact CG-CG 4.41Å; K172-E176 WeakPolarHBondContact O-CB 3.5Å; K172-E176 VanDerWaalsContact O-CG 3.26Å; K172-E176 WeakPolarHBondContact O-CG 3.24Å; K172-E176 PolarHBondContact O-N 3.31Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 3.31Å; E176-L179 HydrophobicContact CB-CD2 4.4Å; E176-L179 HydrophobicContact CG-CD2 4.21Å; E176-R182 IonicContact OE1-CZ 2.7Å; E176-R182 IonicContact OE1-NH1 3.49Å; E176-R182 PolarHBondContact OE1-NH1 3.02Å; E176-R182 IonicContact OE1-NH2 3.95Å; E176-R182 PolarHBondContact OE1-NH2 3.27Å; E176-R290 IonicContact OE1-CZ 3.47Å; E176-R290 IonicContact OE1-NE 3.36Å; E176-R290 WeakPolarHBondContact OE2-CD 3.37Å; E176-R290 IonicContact OE2-CZ 3.68Å; E176-R290 IonicContact OE2-NE 2.72Å; E176-R290 PolarHBondContact OE2-NE 2.94Å; E176-R290 IonicContact OE2-NH2 2.72Å; E176-R290 PolarHBondContact OE2-NH2 2.84Å
177	K	93	Very high	92.8	Very high	120 Å²	120	35.6 Å²	35.6	52%	0.522	16%	0.163	S	C	.	.	H	α-helix	trans	-72.1	-32.1	175.4	-173.9	-179.7	175.7	-179.8	0	113.4	Q173 I174 Y175 L287	Q173-K177 PolarHBondContact O-N 3Å; I174-K177 VanDerWaalsContact O-CB 3.31Å; I174-K177 WeakPolarHBondContact O-CB 3.36Å; I174-K177 PolarHBondContact O-N 3.41Å; I174-K177 VanDerWaalsContact O-N 3.15Å; Y175-K177 PolarHBondContact O-N 3.45Å; K177-L287 HydrophobicContact CG-CD2 4.28Å
178	W	94.8	Very high	92.8	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-99.8	-22.7	-170.1	-65.3	112	0	0	0	113.9	M43 P118 G121 M124 Q125 K128 Y175	M43-W178 HydrophobicContact CE-CB 4.32Å; M43-W178 HydrophobicContact SD-CB 4.11Å; P118-W178 PolarHBondContact O-NE1 2.84Å; G121-W178 WeakPolarHBondContact O-CH2 3.12Å; M124-W178 HydrophobicContact CB-CD2 3.52Å; M124-W178 HydrophobicContact CB-CE3 3.57Å; M124-W178 HydrophobicContact CB-CG 4.2Å; M124-W178 HydrophobicContact CB-CH2 3.78Å; M124-W178 HydrophobicContact CB-CZ2 3.74Å; M124-W178 HydrophobicContact CB-CZ3 3.69Å; M124-W178 HydrophobicContact CE-CB 3.71Å; M124-W178 HydrophobicContact CE-CD2 4.26Å; M124-W178 HydrophobicContact CE-CG 3.82Å; M124-W178 HydrophobicContact CG-CD2 3.98Å; M124-W178 HydrophobicContact CG-CE3 4.5Å; M124-W178 HydrophobicContact CG-CG 4.19Å; M124-W178 HydrophobicContact CG-CZ2 4.34Å; Q125-W178 HydrophobicContact CG-CH2 3.88Å; Q125-W178 HydrophobicContact CG-CZ3 3.83Å; K128-W178 PolarHBondContact NZ-O 3.27Å; Y175-W178 PolarHBondContact O-N 3.45Å; Y175-W178 VanDerWaalsContact O-N 3.14Å
179	L	95.4	Very high	93	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.			trans	-63.6	140.8	-171.2	77.5	87.5	0	0	0	112.3	M43 Y135 Y175 E176 R182 P286	M43-L179 HydrophobicContact CE-CB 3.89Å; Y135-L179 HydrophobicContact CD1-CD2 3.61Å; Y135-L179 HydrophobicContact CG-CD2 4.11Å; Y175-L179 PolarHBondContact O-N 2.85Å; E176-L179 HydrophobicContact CB-CD2 4.4Å; E176-L179 HydrophobicContact CG-CD2 4.21Å; L179-R182 HydrophobicContact CD1-CB 4.42Å; L179-P286 HydrophobicContact CD1-CB 3.35Å; L179-P286 HydrophobicContact CD1-CG 3.5Å; L179-P286 VanDerWaalsContact CD1-CG 3.5Å; L179-P286 HydrophobicContact CG-CB 4.36Å
180	D	95.8	Very high	93.3	Very high	19 Å²	19	38.3 Å²	38.3	10%	0.102	20%	0.196	C	C	.	.	S	Bend	trans	-95	-35.6	165.5	-63.1	-52.2	0	0	0	109.9	K128 V132 V133 Y205 P281	K128-D180 WeakPolarHBondContact CE-OD1 3.35Å; K128-D180 IonicContact NZ-OD1 2.62Å; K128-D180 PolarHBondContact NZ-OD1 2.72Å; K128-D180 IonicContact NZ-OD2 3.61Å; V132-D180 HydrophobicContact CG1-CB 4.03Å; V133-D180 PolarHBondContact N-OD2 3.35Å; V133-D180 PolarHBondContact O-N 2.79Å; D180-Y205 HydrophobicContact CB-CE2 3.85Å; D180-P281 WeakPolarHBondContact O-CB 3.21Å
181	V	95.7	Very high	93.6	Very high	10 Å²	10	33.6 Å²	33.6	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136	-178.6	-173.8	0	0	0	0	110.3	V132 V133 V134 Y135 A201 Y205	V132-V181 HydrophobicContact CG1-CG2 4.23Å; V133-V181 PolarHBondContact O-N 3.42Å; V134-V181 WeakPolarHBondContact CA-O 3.39Å; Y135-V181 PolarHBondContact N-O 3.05Å; V181-A201 HydrophobicContact CG1-CB 3.54Å; V181-Y205 HydrophobicContact CG2-CD2 3.32Å; V181-Y205 HydrophobicContact CG2-CE2 4.17Å; V181-Y205 HydrophobicContact CG2-CG 3.6Å
182	R	97.1	Very high	93.8	Very high	26 Å²	26	38.5 Å²	38.5	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.9	172.1	-171.2	-171.4	-57.2	-106.2	-0.3	110.3	Y135 D137 E176 L179 E276	Y135-R182 HydrophobicContact CD1-CG 4.2Å; D137-R182 HydrophobicContact CB-CG 3.86Å; D137-R182 IonicContact OD2-CZ 2.83Å; D137-R182 IonicContact OD2-NE 3.86Å; D137-R182 IonicContact OD2-NH1 3.69Å; D137-R182 PolarHBondContact OD2-NH1 3.27Å; E176-R182 IonicContact OE1-CZ 2.7Å; E176-R182 IonicContact OE1-NH1 3.49Å; E176-R182 PolarHBondContact OE1-NH1 3.02Å; E176-R182 IonicContact OE1-NH2 3.95Å; E176-R182 PolarHBondContact OE1-NH2 3.27Å; L179-R182 HydrophobicContact CD1-CB 4.42Å; R182-E276 WeakPolarHBondContact CB-OE2 3.4Å; R182-E276 WeakPolarHBondContact CD-OE2 3.12Å; R182-E276 IonicContact CZ-OE1 2.7Å; R182-E276 IonicContact CZ-OE2 3.98Å; R182-E276 IonicContact NE-OE1 3.44Å; R182-E276 PolarHBondContact NE-OE1 2.98Å; R182-E276 IonicContact NE-OE2 2.64Å; R182-E276 PolarHBondContact NE-OE2 3.11Å; R182-E276 IonicContact NH2-OE1 3.57Å; R182-E276 PolarHBondContact NH2-OE1 2.94Å; R182-E276 IonicContact NH2-OE2 3.65Å
183	V	97.8	Very high	94.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	98.2	162.1	172.4	0	0	0	0	107.5	V134 Y135 L136 D137 C185 V194 K197 V198 A201	V134-V183 HydrophobicContact CG1-CB 4.44Å; V134-V183 HydrophobicContact CG1-CG2 3.61Å; Y135-V183 PolarHBondContact O-N 2.83Å; L136-V183 HydrophobicContact CD2-CB 4.03Å; L136-V183 HydrophobicContact CD2-CG1 4.21Å; L136-V183 HydrophobicContact CD2-CG2 4.47Å; D137-V183 PolarHBondContact N-O 2.93Å; V183-C185 PolarHBondContact O-N 3.32Å; V183-V194 HydrophobicContact CG1-CG1 4.3Å; V183-K197 HydrophobicContact CG1-CB 3.67Å; V183-K197 HydrophobicContact CG1-CD 4.46Å; V183-V198 HydrophobicContact CG1-CG2 4.39Å; V183-V198 HydrophobicContact CG2-CB 4.43Å; V183-V198 HydrophobicContact CG2-CG2 3.91Å; V183-A201 HydrophobicContact CG2-CB 3.86Å
184	F	97.3	Very high	94.4	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	101.4	177.6	-168.1	-102.5	0	0	0	109.6	G186 E258 R261 L262 M265 V273	F184-G186 PolarHBondContact O-N 2.93Å; F184-E258 HydrophobicContact CD1-CB 3.8Å; F184-E258 HydrophobicContact CD1-CG 3.78Å; F184-E258 HydrophobicContact CE1-CB 3.96Å; F184-E258 HydrophobicContact CE1-CG 4.36Å; F184-R261 HydrophobicContact CE1-CB 3.95Å; F184-R261 HydrophobicContact CE1-CG 4.15Å; F184-R261 VanDerWaalsContact CE2-CZ 3.45Å; F184-R261 HydrophobicContact CZ-CB 4.01Å; F184-R261 HydrophobicContact CZ-CG 3.77Å; F184-L262 HydrophobicContact CE1-CD2 4.22Å; F184-L262 HydrophobicContact CE1-CG 4.18Å; F184-L262 HydrophobicContact CZ-CD2 3.79Å; F184-L262 HydrophobicContact CZ-CG 4.16Å; F184-M265 HydrophobicContact CE2-CE 3.63Å; F184-M265 HydrophobicContact CE2-SD 4.25Å; F184-M265 HydrophobicContact CZ-CE 3.72Å; F184-M265 HydrophobicContact CZ-SD 4.21Å; F184-V273 HydrophobicContact CB-CG1 4.47Å; F184-V273 HydrophobicContact CD1-CG1 4.14Å; F184-V273 HydrophobicContact CD2-CG1 3.86Å; F184-V273 HydrophobicContact CD2-CG2 3.93Å; F184-V273 HydrophobicContact CE1-CG1 4.31Å; F184-V273 HydrophobicContact CE2-CG1 4.04Å; F184-V273 HydrophobicContact CE2-CG2 3.74Å; F184-V273 HydrophobicContact CG-CG1 3.91Å; F184-V273 HydrophobicContact CZ-CG1 4.26Å; F184-V273 HydrophobicContact CZ-CG2 4.45Å
185	C	96.5	Very high	94.7	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.034	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74.6	126	179.6	-55.4	0	0	0	0	108.9	D137 V138 V183 D189 V194 R261	D137-C185 WeakPolarHBondContact O-CB 3.46Å; D137-C185 PolarHBondContact O-N 3.25Å; V138-C185 HydrophobicContact CG2-CB 4.13Å; V183-C185 PolarHBondContact O-N 3.32Å; C185-D189 WeakPolarHBondContact CA-OD2 3.42Å; C185-V194 HydrophobicContact CB-CG2 4.37Å; C185-R261 WeakPolarHBondContact O-CD 3.49Å; C185-R261 PolarHBondContact O-NH1 3Å
186	G	94.4	Very high	94.8	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-76.9	163.6	176.5	0	0	0	0	0	111.7	F184 G188 D189 G257	F184-G186 PolarHBondContact O-N 2.93Å; G186-G188 PolarHBondContact O-N 2.57Å; G186-D189 VanDerWaalsContact N-CG 3.31Å; G186-D189 PolarHBondContact N-OD2 2.73Å; G186-D189 PolarHBondContact O-N 3.32Å; G186-G257 VanDerWaalsContact CA-C 3.45Å; G186-G257 WeakPolarHBondContact CA-O 3.4Å
187	M	89.6	Confident	95	Very high	85 Å²	85	39 Å²	39	42%	0.419	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	118.9	174.8	-174.8	177.9	-70.9	0	0	110.1	G257 L260	M187-G257 PolarHBondContact N-O 2.76Å; M187-L260 HydrophobicContact CB-CB 4.3Å; M187-L260 HydrophobicContact SD-CB 4.38Å
188	G	86.4	Confident	95.2	Very high	63 Å²	63	33.3 Å²	33.3	65%	0.649	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	6.9	178.3	0	0	0	0	0	115.7	G186 T190	G186-G188 PolarHBondContact O-N 2.57Å; G188-T190 PolarHBondContact O-N 2.65Å
189	D	93.6	Very high	95.3	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.134	19%	0.186	C	C	.	.			trans	-58.5	132.2	176.3	-75	-0.2	0	0	0	111.5	C185 G186 V194 K197	C185-D189 WeakPolarHBondContact CA-OD2 3.42Å; G186-D189 VanDerWaalsContact N-CG 3.31Å; G186-D189 PolarHBondContact N-OD2 2.73Å; G186-D189 PolarHBondContact O-N 3.32Å; D189-V194 HydrophobicContact CB-CG2 3.86Å; D189-K197 IonicContact OD1-NZ 3.28Å; D189-K197 PolarHBondContact OD1-NZ 3.44Å; D189-K197 WeakPolarHBondContact OD2-CE 3.24Å; D189-K197 IonicContact OD2-NZ 3.06Å; D189-K197 PolarHBondContact OD2-NZ 2.73Å
190	T	93	Very high	95.3	Very high	66 Å²	66	39.4 Å²	39.4	41%	0.405	21%	0.211	S	C	.	.			trans	-74.9	162.9	169.3	60.9	0	0	0	0	111.6	G188 E192 E193 V194	G188-T190 PolarHBondContact O-N 2.65Å; T190-E192 PolarHBondContact O-N 3.41Å; T190-E193 WeakPolarHBondContact CB-OE2 3.46Å; T190-E193 PolarHBondContact N-OE2 2.75Å; T190-E193 PolarHBondContact O-N 3.17Å; T190-E193 WeakPolarHBondContact OG1-CB 3.44Å; T190-E193 VanDerWaalsContact OG1-CD 3.26Å; T190-E193 VanDerWaalsContact OG1-CG 3.23Å; T190-E193 WeakPolarHBondContact OG1-CG 3.38Å; T190-E193 PolarHBondContact OG1-N 3.18Å; T190-E193 PolarHBondContact OG1-OE2 3.29Å; T190-V194 WeakPolarHBondContact O-CG2 3.44Å; T190-V194 PolarHBondContact O-N 3.1Å
191	V	93.8	Very high	95.2	Very high	44 Å²	44	39.4 Å²	39.4	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-29.8	178.1	-65.1	0	0	0	0	112.1	T52 V53 I56 A195	T52-V191 HydrophobicContact CG2-CB 4.3Å; T52-V191 HydrophobicContact CG2-CG1 4.38Å; T52-V191 HydrophobicContact CG2-CG2 4.11Å; V53-V191 HydrophobicContact CG2-CB 4.36Å; I56-V191 HydrophobicContact CD1-CB 4.26Å; I56-V191 HydrophobicContact CD1-CG2 3.88Å; V191-A195 WeakPolarHBondContact O-CB 3.4Å; V191-A195 PolarHBondContact O-N 3.29Å
192	E	95.5	Very high	95.1	Very high	107 Å²	107	39.2 Å²	39.2	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-42.6	174.2	-68.2	71.1	-157.4	0	0	112	I56 T190 A195 E196	I56-E192 HydrophobicContact CD1-CG 4.42Å; T190-E192 PolarHBondContact O-N 3.41Å; E192-A195 PolarHBondContact O-N 3.42Å; E192-E196 PolarHBondContact O-N 3.25Å
193	E	96.3	Very high	94.9	Very high	95 Å²	95	43 Å²	43	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-65.9	-42.3	174.7	-73.7	163.7	144.5	0	0	111.3	T190 A195 E196 K197	T190-E193 WeakPolarHBondContact CB-OE2 3.46Å; T190-E193 PolarHBondContact N-OE2 2.75Å; T190-E193 PolarHBondContact O-N 3.17Å; T190-E193 WeakPolarHBondContact OG1-CB 3.44Å; T190-E193 VanDerWaalsContact OG1-CD 3.26Å; T190-E193 VanDerWaalsContact OG1-CG 3.23Å; T190-E193 WeakPolarHBondContact OG1-CG 3.38Å; T190-E193 PolarHBondContact OG1-N 3.18Å; T190-E193 PolarHBondContact OG1-OE2 3.29Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.11Å; E193-E196 WeakPolarHBondContact O-CB 3.46Å; E193-E196 PolarHBondContact O-N 3.22Å; E193-K197 WeakPolarHBondContact O-CG 3.31Å; E193-K197 PolarHBondContact O-N 3.42Å
194	V	97.4	Very high	94.7	Very high	9 Å²	9	46 Å²	46	6%	0.055	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-42.5	174	176.5	0	0	0	0	110.7	V53 L136 V183 C185 D189 T190 E196 K197 V198	V53-V194 HydrophobicContact CG1-CG1 4.28Å; V53-V194 HydrophobicContact CG2-CB 4.18Å; V53-V194 HydrophobicContact CG2-CG1 3.88Å; L136-V194 HydrophobicContact CD2-CG1 4.07Å; V183-V194 HydrophobicContact CG1-CG1 4.3Å; C185-V194 HydrophobicContact CB-CG2 4.37Å; D189-V194 HydrophobicContact CB-CG2 3.86Å; T190-V194 WeakPolarHBondContact O-CG2 3.44Å; T190-V194 PolarHBondContact O-N 3.1Å; V194-E196 VanDerWaalsContact C-N 3.3Å; V194-E196 PolarHBondContact O-N 3.01Å; V194-K197 PolarHBondContact O-N 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 2.74Å
195	A	97.7	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-38	175.5	0	0	0	0	0	112.4	V53 I56 V57 V191 E192 E193 V198 L199	V53-A195 HydrophobicContact CG1-CB 4.14Å; I56-A195 HydrophobicContact CB-CB 3.95Å; I56-A195 HydrophobicContact CG2-CB 3.55Å; V57-A195 HydrophobicContact CG2-CB 3.86Å; V191-A195 WeakPolarHBondContact O-CB 3.4Å; V191-A195 PolarHBondContact O-N 3.29Å; E192-A195 PolarHBondContact O-N 3.42Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.11Å; A195-V198 PolarHBondContact O-N 3.02Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 2.91Å; A195-L199 VanDerWaalsContact O-N 3.08Å
196	E	97.1	Very high	94	Very high	70 Å²	70	50.7 Å²	50.7	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-41	173.5	-171	58.8	-151.6	0	0	112.1	K60 E192 E193 V194 V198 L199 K200	K60-E196 IonicContact NZ-OE2 2.94Å; K60-E196 PolarHBondContact NZ-OE2 3.11Å; E192-E196 PolarHBondContact O-N 3.25Å; E193-E196 WeakPolarHBondContact O-CB 3.46Å; E193-E196 PolarHBondContact O-N 3.22Å; V194-E196 VanDerWaalsContact C-N 3.3Å; V194-E196 PolarHBondContact O-N 3.01Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.32Å; E196-L199 PolarHBondContact O-N 3.43Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.14Å; E196-K200 WeakPolarHBondContact OE1-CE 3.38Å
197	K	97.2	Very high	93.7	Very high	36 Å²	36	54.2 Å²	54.2	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-38.6	173.8	-68.5	179.7	-178.3	-169.1	0	112.1	V183 D189 E193 V194 K200 A201 E258	V183-K197 HydrophobicContact CG1-CB 3.67Å; V183-K197 HydrophobicContact CG1-CD 4.46Å; D189-K197 IonicContact OD1-NZ 3.28Å; D189-K197 PolarHBondContact OD1-NZ 3.44Å; D189-K197 WeakPolarHBondContact OD2-CE 3.24Å; D189-K197 IonicContact OD2-NZ 3.06Å; D189-K197 PolarHBondContact OD2-NZ 2.73Å; E193-K197 WeakPolarHBondContact O-CG 3.31Å; E193-K197 PolarHBondContact O-N 3.42Å; V194-K197 PolarHBondContact O-N 3.26Å; K197-K200 PolarHBondContact O-N 3.49Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 2.98Å; K197-E258 WeakPolarHBondContact CE-OE1 3.44Å; K197-E258 IonicContact NZ-OE1 3.48Å; K197-E258 PolarHBondContact NZ-OE1 3.35Å
198	V	97.7	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-47.9	173.5	170.5	0	0	0	0	110.6	L42 V53 V57 V134 L136 V183 V194 A195 E196 A201 V202	L42-V198 HydrophobicContact CD2-CG1 4.02Å; L42-V198 HydrophobicContact CD2-CG2 4.43Å; V53-V198 HydrophobicContact CG1-CG2 3.89Å; V57-V198 HydrophobicContact CG1-CG1 4.37Å; V57-V198 HydrophobicContact CG2-CB 4.06Å; V57-V198 HydrophobicContact CG2-CG1 3.9Å; V134-V198 HydrophobicContact CG1-CG1 4.4Å; V134-V198 HydrophobicContact CG1-CG2 4.29Å; L136-V198 HydrophobicContact CD2-CG2 3.56Å; V183-V198 HydrophobicContact CG1-CG2 4.39Å; V183-V198 HydrophobicContact CG2-CB 4.43Å; V183-V198 HydrophobicContact CG2-CG2 3.91Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 2.74Å; A195-V198 PolarHBondContact O-N 3.02Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.32Å; V198-A201 PolarHBondContact O-N 3.25Å; V198-V202 HydrophobicContact CG1-CG2 4.34Å; V198-V202 WeakPolarHBondContact O-CB 3.09Å; V198-V202 VanDerWaalsContact O-CG2 3.31Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 2.92Å
199	L	95.9	Very high	93.4	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-51.9	178.7	-70.9	172.3	0	0	0	111.5	V57 K60 L61 A195 E196 A201 V202 E203	V57-L199 HydrophobicContact CG1-CD2 3.94Å; K60-L199 HydrophobicContact CB-CD1 4.13Å; K60-L199 HydrophobicContact CD-CD1 3.4Å; K60-L199 VanDerWaalsContact CD-CD1 3.4Å; K60-L199 HydrophobicContact CG-CD1 4.42Å; L61-L199 HydrophobicContact CD1-CD2 3.77Å; L61-L199 HydrophobicContact CD2-CD2 3.73Å; L61-L199 HydrophobicContact CG-CD2 3.67Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 2.91Å; A195-L199 VanDerWaalsContact O-N 3.08Å; E196-L199 PolarHBondContact O-N 3.43Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.72Å; L199-V202 PolarHBondContact O-N 3.45Å; L199-E203 VanDerWaalsContact O-CB 3.28Å; L199-E203 WeakPolarHBondContact O-CB 3.37Å; L199-E203 PolarHBondContact O-N 3.13Å
200	K	94.5	Very high	92.9	Very high	124 Å²	124	55.8 Å²	55.8	54%	0.539	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-39.6	178.7	-69.9	178.5	179.3	-178.6	0	113	E196 K197 R204	E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.14Å; E196-K200 WeakPolarHBondContact OE1-CE 3.38Å; K197-K200 PolarHBondContact O-N 3.49Å; K200-R204 VanDerWaalsContact O-CB 3.29Å; K200-R204 WeakPolarHBondContact O-CB 3.15Å; K200-R204 PolarHBondContact O-N 3.44Å
201	A	95.2	Very high	92.8	Very high	18 Å²	18	54.5 Å²	54.5	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-72	-37.1	-178	0	0	0	0	0	111.7	V181 V183 K197 V198 L199 Y205	V181-A201 HydrophobicContact CG1-CB 3.54Å; V183-A201 HydrophobicContact CG2-CB 3.86Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 2.98Å; V198-A201 PolarHBondContact O-N 3.25Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.72Å; A201-Y205 WeakPolarHBondContact O-CB 3.48Å; A201-Y205 PolarHBondContact O-N 2.91Å; A201-Y205 VanDerWaalsContact O-N 3.12Å
202	V	93.8	Very high	92.8	Very high	7 Å²	7	53 Å²	53	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-43.8	173.5	172.7	0	0	0	0	111.1	L35 I40 V134 V198 L199 Y205 L206	L35-V202 HydrophobicContact CD2-CG1 3.88Å; I40-V202 HydrophobicContact CD1-CG1 4.01Å; I40-V202 HydrophobicContact CD1-CG2 4.39Å; I40-V202 HydrophobicContact CG1-CG1 4.22Å; I40-V202 HydrophobicContact CG1-CG2 4.43Å; I40-V202 HydrophobicContact CG2-CG2 4.23Å; V134-V202 HydrophobicContact CG2-CG2 3.6Å; V198-V202 HydrophobicContact CG1-CG2 4.34Å; V198-V202 WeakPolarHBondContact O-CB 3.09Å; V198-V202 VanDerWaalsContact O-CG2 3.31Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 2.92Å; L199-V202 PolarHBondContact O-N 3.45Å; V202-Y205 PolarHBondContact O-N 3.49Å; V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.47Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.43Å; V202-L206 PolarHBondContact O-N 3.44Å; V202-L206 VanDerWaalsContact O-N 3.12Å
203	E	92.2	Very high	92.7	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-55.6	-52.8	174.3	-178.7	176	-128.7	0	0	110.5	L199 Y205 L206 E207	L199-E203 VanDerWaalsContact O-CB 3.28Å; L199-E203 WeakPolarHBondContact O-CB 3.37Å; L199-E203 PolarHBondContact O-N 3.13Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 3Å; E203-L206 PolarHBondContact O-N 2.78Å; E203-E207 HydrophobicContact CG-CG 4.43Å; E203-E207 WeakPolarHBondContact O-CB 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.39Å; E203-E207 PolarHBondContact O-N 3.09Å
204	R	93	Very high	92.6	Very high	68 Å²	68	45 Å²	45	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-51.1	-49.3	174.5	-179.3	-176.8	175.6	-126.7	-0.1	112	K200 L206 E207 E211 E276 K277 I279 H280	K200-R204 VanDerWaalsContact O-CB 3.29Å; K200-R204 WeakPolarHBondContact O-CB 3.15Å; K200-R204 PolarHBondContact O-N 3.44Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 3.43Å; R204-E207 CarbonylContact O-C 3.35Å; R204-E207 PolarHBondContact O-N 3.29Å; R204-E211 IonicContact CZ-OE1 3.71Å; R204-E211 IonicContact CZ-OE2 3.81Å; R204-E211 IonicContact NE-OE1 3.62Å; R204-E211 IonicContact NE-OE2 3.01Å; R204-E211 PolarHBondContact NE-OE2 3.01Å; R204-E211 IonicContact NH2-OE1 2.89Å; R204-E211 PolarHBondContact NH2-OE1 3.25Å; R204-E211 IonicContact NH2-OE2 3.7Å; R204-E211 PolarHBondContact NH2-OE2 3.49Å; R204-E276 PolarHBondContact NH1-O 2.9Å; R204-E276 PolarHBondContact NH2-O 3.34Å; R204-K277 PolarHBondContact NH2-O 3.11Å; R204-I279 VanDerWaalsContact NH2-C 3.29Å; R204-I279 PolarHBondContact NH2-O 2.83Å; R204-H280 PolarHBondContact O-NE2 3.25Å
205	Y	92.4	Very high	92.5	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-33.4	-178.7	179.8	-90.9	0	0	0	113.5	V132 D180 V181 A201 V202 E203 P281 L282	V132-Y205 HydrophobicContact CB-CE1 4.5Å; V132-Y205 HydrophobicContact CG1-CD1 3.88Å; V132-Y205 HydrophobicContact CG1-CE1 3.95Å; V132-Y205 HydrophobicContact CG1-CG 4.29Å; V132-Y205 HydrophobicContact CG2-CD1 3.99Å; V132-Y205 HydrophobicContact CG2-CE1 3.73Å; D180-Y205 HydrophobicContact CB-CE2 3.85Å; V181-Y205 HydrophobicContact CG2-CD2 3.32Å; V181-Y205 HydrophobicContact CG2-CE2 4.17Å; V181-Y205 HydrophobicContact CG2-CG 3.6Å; A201-Y205 WeakPolarHBondContact O-CB 3.48Å; A201-Y205 PolarHBondContact O-N 2.91Å; A201-Y205 VanDerWaalsContact O-N 3.12Å; V202-Y205 PolarHBondContact O-N 3.49Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 3Å; Y205-P281 HydrophobicContact CD2-CB 4.08Å; Y205-P281 HydrophobicContact CD2-CG 3.56Å; Y205-P281 HydrophobicContact CE2-CB 4.31Å; Y205-P281 HydrophobicContact CE2-CG 4.24Å; Y205-L282 HydrophobicContact CE2-CD2 3.81Å; Y205-L282 HydrophobicContact CE2-CG 4.35Å
206	L	87.4	Confident	92.4	Very high	75 Å²	75	44.7 Å²	44.7	39%	0.393	21%	0.213	S	C	.	.	H	α-helix	trans	-83.7	-33.3	179.3	-61.4	169.1	0	0	0	112.2	L35 V202 E203 R204 H208	L35-L206 HydrophobicContact CD2-CD1 3.47Å; L35-L206 VanDerWaalsContact CD2-CD1 3.47Å; L35-L206 HydrophobicContact CD2-CD2 4.08Å; L35-L206 HydrophobicContact CD2-CG 4.28Å; L35-L206 HydrophobicContact CG-CD1 3.59Å; V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.47Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.43Å; V202-L206 PolarHBondContact O-N 3.44Å; V202-L206 VanDerWaalsContact O-N 3.12Å; E203-L206 PolarHBondContact O-N 2.78Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 3.43Å; L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.2Å
207	E	87.1	Confident	92.1	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	20%	0.203	S	C	.	.			trans	-93	43.1	-176.8	-65.4	-176.7	168.2	0	0	112.5	E203 R204 D209 E210	E203-E207 HydrophobicContact CG-CG 4.43Å; E203-E207 WeakPolarHBondContact O-CB 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.39Å; E203-E207 PolarHBondContact O-N 3.09Å; R204-E207 CarbonylContact O-C 3.35Å; R204-E207 PolarHBondContact O-N 3.29Å; E207-D209 PolarHBondContact O-N 3.35Å; E207-D209 VanDerWaalsContact O-N 3.07Å; E207-E210 HydrophobicContact CB-CG 4.15Å; E207-E210 PolarHBondContact O-N 3.48Å
208	H	86.6	Confident	91.4	Very high	32 Å²	32	42 Å²	42	15%	0.148	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.7	-37.7	177.1	175.6	-127.8	0	0	0	112.9	L206 E210 E211 Y229 H280 L282 D283	L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.2Å; H208-E210 PolarHBondContact O-N 3.46Å; H208-E211 PolarHBondContact O-N 3.27Å; H208-Y229 AromaticContact CD2-CD1 4Å; H208-Y229 AromaticContact CE1-CD1 3.28Å; H208-Y229 WeakPolarHBondContact CE1-CD1 3.5Å; H208-Y229 AromaticContact CE1-CE1 3.3Å; H208-Y229 WeakPolarHBondContact CE1-CE1 3.23Å; H208-Y229 AromaticContact CE1-CG 3.73Å; H208-Y229 AromaticContact CE1-CZ 3.8Å; H208-Y229 AromaticContact ND1-CE1 3.6Å; H208-Y229 AromaticContact NE2-CD1 3.29Å; H208-Y229 VanDerWaalsContact NE2-CD1 3.29Å; H208-Y229 WeakPolarHBondContact NE2-CD1 3.26Å; H208-Y229 AromaticContact NE2-CE1 3.7Å; H208-Y229 AromaticContact NE2-CG 3.85Å; H208-H280 AromaticContact CD2-CE1 3.64Å; H208-H280 AromaticContact CD2-CG 3.51Å; H208-H280 AromaticContact CD2-ND1 3.17Å; H208-H280 PolarHBondContact CD2-ND1 3.45Å; H208-H280 AromaticContact CG-CE1 3.9Å; H208-H280 AromaticContact CG-ND1 3.86Å; H208-L282 HydrophobicContact CB-CD1 3.87Å; H208-D283 IonicContact CD2-OD1 3.76Å; H208-D283 IonicContact CE1-OD1 3.89Å; H208-D283 IonicContact NE2-OD1 3.66Å; H208-D283 PolarHBondContact NE2-OD1 2.88Å; H208-D283 IonicContact NE2-OD2 3.65Å
209	D	84.9	Confident	89.6	Confident	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.3	-13.2	178.8	-92.8	5.9	0	0	0	115.5	E207 K227 Y229	E207-D209 PolarHBondContact O-N 3.35Å; E207-D209 VanDerWaalsContact O-N 3.07Å; D209-K227 HydrophobicContact CB-CD 4.36Å; D209-K227 IonicContact OD1-NZ 2.72Å; D209-K227 IonicContact OD2-NZ 2.86Å; D209-K227 PolarHBondContact OD2-NZ 2.96Å; D209-Y229 PolarHBondContact OD1-OH 3Å
210	E	83.2	Confident	87.5	Confident	91 Å²	91	46.1 Å²	46.1	43%	0.425	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-99.2	-12.6	176.4	-54	-159.3	151.7	0	0	113.9	E207 H208 T212 K249	E207-E210 HydrophobicContact CB-CG 4.15Å; E207-E210 PolarHBondContact O-N 3.48Å; H208-E210 PolarHBondContact O-N 3.46Å; E210-T212 PolarHBondContact O-N 3.35Å; E210-K249 WeakPolarHBondContact O-CD 3.19Å; E210-K249 WeakPolarHBondContact O-CE 3.38Å; E210-K249 IonicContact OE2-NZ 2.6Å; E210-K249 PolarHBondContact OE2-NZ 3.08Å
211	E	89.2	Confident	85.3	Confident	40 Å²	40	44.8 Å²	44.8	19%	0.187	26%	0.259	C	S	.	.	S	Bend	trans	-98.9	63.9	178.8	-161.4	169.5	155.2	0	0	110.8	R204 H208 H280	R204-E211 IonicContact CZ-OE1 3.71Å; R204-E211 IonicContact CZ-OE2 3.81Å; R204-E211 IonicContact NE-OE1 3.62Å; R204-E211 IonicContact NE-OE2 3.01Å; R204-E211 PolarHBondContact NE-OE2 3.01Å; R204-E211 IonicContact NH2-OE1 2.89Å; R204-E211 PolarHBondContact NH2-OE1 3.25Å; R204-E211 IonicContact NH2-OE2 3.7Å; R204-E211 PolarHBondContact NH2-OE2 3.49Å; H208-E211 PolarHBondContact O-N 3.27Å; E211-H280 IonicContact OE2-CD2 2.67Å; E211-H280 PolarHBondContact OE2-CD2 3.13Å
212	T	93.9	Very high	83.3	Confident	13 Å²	13	48.2 Å²	48.2	8%	0.08	27%	0.271	C	S	.	.			trans	-103	166.9	-177.2	53.5	0	0	0	0	113	E210 K227 T228 Y229 K248	E210-T212 PolarHBondContact O-N 3.35Å; T212-K227 HydrophobicContact CG2-CB 4.03Å; T212-K227 HydrophobicContact CG2-CD 4.48Å; T212-K227 HydrophobicContact CG2-CG 4.35Å; T212-T228 CarbonylContact C-O 3.58Å; T212-T228 WeakPolarHBondContact CA-O 3.39Å; T212-T228 WeakPolarHBondContact CB-O 3.47Å; T212-Y229 HydrophobicContact CG2-CD1 4.13Å; T212-Y229 HydrophobicContact CG2-CE1 3.94Å; T212-K248 VanDerWaalsContact O-CB 3.22Å; T212-K248 WeakPolarHBondContact O-CB 3.4Å; T212-K248 PolarHBondContact O-N 3Å; T212-K248 WeakPolarHBondContact OG1-CD 3.12Å
213	Y	94.7	Very high	81.4	Confident	11 Å²	11	51 Å²	51	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.2	174.3	-70.5	-98.4	0	0	0	110.7	T228 F230 V233 V246 P247 W452	Y213-T228 PolarHBondContact N-O 2.93Å; Y213-F230 HydrophobicContact CE2-CB 3.97Å; Y213-F230 HydrophobicContact CE2-CD2 4.41Å; Y213-V233 VanDerWaalsContact CB-CG1 3.46Å; Y213-V233 HydrophobicContact CD1-CG1 3.99Å; Y213-V233 HydrophobicContact CD1-CG2 4.07Å; Y213-V233 HydrophobicContact CD2-CG1 4.05Å; Y213-V233 HydrophobicContact CD2-CG2 4.22Å; Y213-V233 HydrophobicContact CE1-CG2 4.13Å; Y213-V233 HydrophobicContact CE2-CG2 4.3Å; Y213-V233 HydrophobicContact CG-CB 4.46Å; Y213-V233 HydrophobicContact CG-CG1 3.55Å; Y213-V233 HydrophobicContact CG-CG2 4.13Å; Y213-V246 WeakPolarHBondContact CA-O 3.27Å; Y213-P247 HydrophobicContact CE1-CB 4.2Å; Y213-W452 AromaticContact CE1-CD1 3.65Å; Y213-W452 HydrophobicContact CE1-CD2 4.09Å; Y213-W452 AromaticContact CE1-CE2 3.68Å; Y213-W452 HydrophobicContact CE1-CG 4.11Å; Y213-W452 HydrophobicContact CE1-CZ2 4.23Å; Y213-W452 AromaticContact CE1-NE1 3.37Å; Y213-W452 AromaticContact CZ-CD1 3.94Å; Y213-W452 AromaticContact CZ-NE1 3.63Å; Y213-W452 PolarHBondContact OH-NE1 3.31Å; Y213-W452 VanDerWaalsContact OH-NE1 3.1Å
214	V	93.8	Very high	79.7	Confident	21 Å²	21	52.1 Å²	52.1	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.9	174.8	-66.5	0	0	0	0	109.9	Y245 V246 K248	V214-Y245 WeakPolarHBondContact O-CA 3.35Å; V214-V246 HydrophobicContact CG2-CG2 3.92Å; V214-V246 PolarHBondContact N-O 2.83Å; V214-V246 PolarHBondContact O-N 2.68Å; V214-K248 HydrophobicContact CG1-CB 4.06Å; V214-K248 HydrophobicContact CG1-CD 4.03Å; V214-K248 HydrophobicContact CG1-CG 3.98Å; V214-K248 HydrophobicContact CG2-CB 4.47Å
215	S	94.4	Very high	78.2	Confident	3 Å²	3	56 Å²	56	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.4	170.5	-179.6	0	0	0	0	110.9	R217 S218 D241 G243 S563	S215-R217 PolarHBondContact O-N 3.47Å; S215-R217 VanDerWaalsContact O-N 3.17Å; S215-R217 PolarHBondContact OG-N 3.04Å; S215-S218 PolarHBondContact O-N 2.88Å; S215-S218 PolarHBondContact O-OG 3.11Å; S215-D241 VanDerWaalsContact CB-OD2 3.23Å; S215-D241 WeakPolarHBondContact CB-OD2 3.37Å; S215-D241 PolarHBondContact OG-OD1 2.79Å; S215-D241 PolarHBondContact OG-OD2 3.12Å; S215-G243 WeakPolarHBondContact OG-CA 3.35Å; S215-S563 PolarHBondContact O-OG 3.07Å
216	T	95.6	Very high	77.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-11	169.9	45.7	0	0	0	0	113.7	L244 V246 E552 R553 H556 S563 V566	T216-L244 HydrophobicContact CG2-CB 4.38Å; T216-L244 WeakPolarHBondContact CG2-O 3.41Å; T216-L244 PolarHBondContact N-O 2.78Å; T216-L244 PolarHBondContact OG1-N 3.37Å; T216-L244 PolarHBondContact OG1-O 2.86Å; T216-V246 HydrophobicContact CG2-CG1 3.85Å; T216-V246 HydrophobicContact CG2-CG2 4.18Å; T216-E552 PolarHBondContact OG1-OE1 3.12Å; T216-R553 HydrophobicContact CG2-CG 4.34Å; T216-H556 HydrophobicContact CG2-CB 3.66Å; T216-S563 WeakPolarHBondContact O-CA 3.41Å; T216-V566 VanDerWaalsContact O-CB 3.25Å; T216-V566 WeakPolarHBondContact O-CB 3.31Å; T216-V566 WeakPolarHBondContact O-CG1 3.47Å
217	R	92.5	Very high	77.6	Confident	29 Å²	29	62 Å²	62	11%	0.109	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	14.8	-178.9	-59.7	-173.2	-162.1	173.9	8.8	114	S215 G219 D241 G242 E552 V566 D567 F570	S215-R217 PolarHBondContact O-N 3.47Å; S215-R217 VanDerWaalsContact O-N 3.17Å; S215-R217 PolarHBondContact OG-N 3.04Å; R217-G219 PolarHBondContact O-N 2.97Å; R217-D241 VanDerWaalsContact C-OD2 3.27Å; R217-G242 VanDerWaalsContact CZ-O 3.27Å; R217-G242 PolarHBondContact NH2-O 3.46Å; R217-E552 VanDerWaalsContact CG-OE1 3.29Å; R217-E552 WeakPolarHBondContact CG-OE1 3.48Å; R217-E552 IonicContact CZ-OE1 2.71Å; R217-E552 IonicContact CZ-OE2 3.22Å; R217-E552 VanDerWaalsContact NE-CD 3.32Å; R217-E552 IonicContact NE-OE1 3.36Å; R217-E552 PolarHBondContact NE-OE1 2.96Å; R217-E552 IonicContact NE-OE2 2.95Å; R217-E552 PolarHBondContact NE-OE2 3.46Å; R217-E552 IonicContact NH2-OE1 3.71Å; R217-E552 IonicContact NH2-OE2 3.85Å; R217-E552 PolarHBondContact NH2-OE2 3.39Å; R217-V566 HydrophobicContact CG-CG1 4.19Å; R217-D567 HydrophobicContact CB-CB 4Å; R217-D567 HydrophobicContact CG-CB 4.37Å; R217-F570 VanDerWaalsContact NH2-CD1 3.33Å
218	S	82.2	Confident	77.9	Confident	21 Å²	21	59.1 Å²	59.1	15%	0.147	34%	0.341	C	S	.	.			trans	-66.3	79.4	179.2	54.1	0	0	0	0	112.1	S215 G220 E222 D241 S563	S215-S218 PolarHBondContact O-N 2.88Å; S215-S218 PolarHBondContact O-OG 3.11Å; S218-G220 PolarHBondContact O-N 3.48Å; S218-E222 VanDerWaalsContact CB-OE1 3.29Å; S218-E222 WeakPolarHBondContact CB-OE1 3.21Å; S218-D241 PolarHBondContact N-OD2 3.06Å; S218-S563 PolarHBondContact OG-OG 2.99Å
219	G	58.5	Low	78.3	Confident	40 Å²	40	59.6 Å²	59.6	41%	0.412	34%	0.342	S	S	.	.			trans	-77.9	51.7	177.7	0	0	0	0	0	112.7	R217 S221	R217-G219 PolarHBondContact O-N 2.97Å; G219-S221 VanDerWaalsContact C-N 3.35Å; G219-S221 PolarHBondContact O-N 3.23Å
220	G	53.3	Low	78.8	Confident	77 Å²	77	55.7 Å²	55.7	79%	0.794	32%	0.321	S	S	*	.	S	Bend	trans	76	10.8	175.4	0	0	0	0	0	116.4	S218	S218-G220 PolarHBondContact O-N 3.48Å
221	S	47.4	Very low	79.3	Confident	97 Å²	97	53.9 Å²	53.9	68%	0.678	31%	0.314	S	S	*	.			trans	-99.2	5.6	176.2	83	0	0	0	0	114.8	G219 S223	G219-S221 VanDerWaalsContact C-N 3.35Å; G219-S221 PolarHBondContact O-N 3.23Å; S221-S223 PolarHBondContact O-N 2.77Å
222	E	54	Low	79.4	Confident	89 Å²	89	53.9 Å²	53.9	42%	0.416	32%	0.315	S	S	.	.	S	Bend	trans	-66.7	123.8	171.2	-78.4	-178.5	-176	0	0	108.7	S218 P224	S218-E222 VanDerWaalsContact CB-OE1 3.29Å; S218-E222 WeakPolarHBondContact CB-OE1 3.21Å; E222-P224 WeakPolarHBondContact O-CD 3.45Å; E222-P224 VanDerWaalsContact O-N 3.16Å
223	S	53.3	Low	79.4	Confident	67 Å²	67	53.3 Å²	53.3	47%	0.469	31%	0.312	S	S	.	.			trans	-57.5	121.4	165.9	58.4	0	0	0	0	107.1	S221 D225 R226	S221-S223 PolarHBondContact O-N 2.77Å; S223-D225 PolarHBondContact O-N 2.86Å; S223-R226 PolarHBondContact O-N 3.04Å; S223-R226 VanDerWaalsContact O-N 3.1Å; S223-R226 WeakPolarHBondContact OG-CB 3.47Å
224	P	56.5	Low	79.3	Confident	126 Å²	126	52.8 Å²	52.8	82%	0.818	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.1	-174.7	19.1	-30.4	0	0	0	113.9	E222	E222-P224 WeakPolarHBondContact O-CD 3.45Å; E222-P224 VanDerWaalsContact O-N 3.16Å
225	D	61.2	Low	79.1	Confident	150 Å²	150	53.4 Å²	53.4	80%	0.802	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-15.4	-177.4	-60.5	-33.8	0	0	0	115	S223 K227	S223-D225 PolarHBondContact O-N 2.86Å; D225-K227 PolarHBondContact O-N 2.67Å
226	R	78.9	Confident	78.8	Confident	144 Å²	144	56.5 Å²	56.5	54%	0.543	33%	0.326	S	S	.	.			trans	-92.8	105.4	-178	-171.9	176.4	176.8	-168.3	-7.4	110.9	S223 E236	S223-R226 PolarHBondContact O-N 3.04Å; S223-R226 VanDerWaalsContact O-N 3.1Å; S223-R226 WeakPolarHBondContact OG-CB 3.47Å; R226-E236 IonicContact CZ-OE1 3.61Å; R226-E236 IonicContact NH2-OE1 2.66Å; R226-E236 PolarHBondContact NH2-OE1 3.44Å
227	K	88.6	Confident	78.3	Confident	93 Å²	93	56.9 Å²	56.9	40%	0.404	33%	0.33	S	S	.	.			trans	-83	140.7	170	-63.2	-178.7	-175.3	-173.7	0	110	D209 T212 D225 Y229	D209-K227 HydrophobicContact CB-CD 4.36Å; D209-K227 IonicContact OD1-NZ 2.72Å; D209-K227 IonicContact OD2-NZ 2.86Å; D209-K227 PolarHBondContact OD2-NZ 2.96Å; T212-K227 HydrophobicContact CG2-CB 4.03Å; T212-K227 HydrophobicContact CG2-CD 4.48Å; T212-K227 HydrophobicContact CG2-CG 4.35Å; D225-K227 PolarHBondContact O-N 2.67Å; K227-Y229 HydrophobicContact CB-CE1 4.34Å; K227-Y229 HydrophobicContact CB-CE2 3.83Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.46Å
228	T	92.7	Very high	78	Confident	15 Å²	15	59 Å²	59	9%	0.092	34%	0.343	C	S	.	.			trans	-117.7	121.2	178.3	-51.5	0	0	0	0	108.4	T212 Y213 D232 V233 Y245	T212-T228 CarbonylContact C-O 3.58Å; T212-T228 WeakPolarHBondContact CA-O 3.39Å; T212-T228 WeakPolarHBondContact CB-O 3.47Å; Y213-T228 PolarHBondContact N-O 2.93Å; T228-D232 HydrophobicContact CG2-CB 3.67Å; T228-V233 HydrophobicContact CG2-CG1 3.63Å; T228-Y245 HydrophobicContact CG2-CD1 4.47Å; T228-Y245 HydrophobicContact CG2-CE1 3.93Å
229	Y	95.3	Very high	78.2	Confident	42 Å²	42	58.2 Å²	58.2	17%	0.165	34%	0.338	C	S	.	.			trans	-108.5	-179.2	-176.3	-54.9	-80.6	0	0	0	111.7	H208 D209 T212 K227 N231 D232 V233	H208-Y229 AromaticContact CD2-CD1 4Å; H208-Y229 AromaticContact CE1-CD1 3.28Å; H208-Y229 WeakPolarHBondContact CE1-CD1 3.5Å; H208-Y229 AromaticContact CE1-CE1 3.3Å; H208-Y229 WeakPolarHBondContact CE1-CE1 3.23Å; H208-Y229 AromaticContact CE1-CG 3.73Å; H208-Y229 AromaticContact CE1-CZ 3.8Å; H208-Y229 AromaticContact ND1-CE1 3.6Å; H208-Y229 AromaticContact NE2-CD1 3.29Å; H208-Y229 VanDerWaalsContact NE2-CD1 3.29Å; H208-Y229 WeakPolarHBondContact NE2-CD1 3.26Å; H208-Y229 AromaticContact NE2-CE1 3.7Å; H208-Y229 AromaticContact NE2-CG 3.85Å; D209-Y229 PolarHBondContact OD1-OH 3Å; T212-Y229 HydrophobicContact CG2-CD1 4.13Å; T212-Y229 HydrophobicContact CG2-CE1 3.94Å; K227-Y229 HydrophobicContact CB-CE1 4.34Å; K227-Y229 HydrophobicContact CB-CE2 3.83Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.46Å; Y229-N231 VanDerWaalsContact C-N 3.32Å; Y229-N231 WeakPolarHBondContact CB-OD1 3.42Å; Y229-N231 PolarHBondContact O-N 3.46Å; Y229-D232 PolarHBondContact N-OD2 3.21Å; Y229-D232 PolarHBondContact O-N 2.9Å; Y229-V233 PolarHBondContact O-N 3.29Å
230	F	95.5	Very high	79.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-41.8	-175.5	177.3	-99.1	0	0	0	112.6	Y213 D232 V233 V234 I279 D283 V284 L340 W452 L456	Y213-F230 HydrophobicContact CE2-CB 3.97Å; Y213-F230 HydrophobicContact CE2-CD2 4.41Å; F230-D232 VanDerWaalsContact C-N 3.33Å; F230-D232 PolarHBondContact O-N 2.98Å; F230-V233 WeakPolarHBondContact O-CG2 3.36Å; F230-V233 PolarHBondContact O-N 3.1Å; F230-V234 HydrophobicContact CD1-CG2 3.91Å; F230-V234 HydrophobicContact CD2-CG2 4.3Å; F230-V234 HydrophobicContact CE1-CG2 3.5Å; F230-V234 HydrophobicContact CE2-CG2 3.94Å; F230-V234 HydrophobicContact CG-CG2 4.3Å; F230-V234 HydrophobicContact CZ-CG2 3.52Å; F230-V234 WeakPolarHBondContact O-CG2 3.37Å; F230-V234 PolarHBondContact O-N 2.96Å; F230-V234 VanDerWaalsContact O-N 3.07Å; F230-I279 HydrophobicContact CD1-CG2 3.82Å; F230-I279 HydrophobicContact CD2-CG1 4.16Å; F230-I279 HydrophobicContact CD2-CG2 4.47Å; F230-I279 HydrophobicContact CE1-CD1 4.07Å; F230-I279 HydrophobicContact CE1-CG1 4.36Å; F230-I279 HydrophobicContact CE1-CG2 4.06Å; F230-I279 HydrophobicContact CE2-CD1 4Å; F230-I279 HydrophobicContact CE2-CG1 3.82Å; F230-I279 HydrophobicContact CG-CG2 4.03Å; F230-I279 HydrophobicContact CZ-CD1 3.63Å; F230-I279 HydrophobicContact CZ-CG1 3.93Å; F230-I279 HydrophobicContact CZ-CG2 4.47Å; F230-D283 HydrophobicContact CB-CB 3.91Å; F230-D283 WeakPolarHBondContact CB-OD2 3.33Å; F230-D283 HydrophobicContact CD1-CB 4.41Å; F230-D283 PolarHBondContact N-OD2 3.07Å; F230-V284 HydrophobicContact CD1-CG2 3.97Å; F230-V284 HydrophobicContact CE1-CG2 3.9Å; F230-L340 HydrophobicContact CE1-CD2 4.23Å; F230-L340 HydrophobicContact CZ-CD1 4.31Å; F230-L340 HydrophobicContact CZ-CD2 4.41Å; F230-W452 AromaticContact CD2-CD1 3.93Å; F230-W452 AromaticContact CE2-CD1 3.73Å; F230-L456 HydrophobicContact CE2-CD2 4.16Å
231	N	93.3	Very high	80.9	Confident	53 Å²	53	60.4 Å²	60.4	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-43.3	178	59.6	-11.7	0	0	0	112	Y229 V234 I235 C344	Y229-N231 VanDerWaalsContact C-N 3.32Å; Y229-N231 WeakPolarHBondContact CB-OD1 3.42Å; Y229-N231 PolarHBondContact O-N 3.46Å; N231-V234 PolarHBondContact O-N 3.39Å; N231-I235 WeakPolarHBondContact O-CD1 3.38Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.37Å; N231-I235 PolarHBondContact O-N 3.15Å; N231-I235 VanDerWaalsContact O-N 3.14Å; N231-C344 HydrophobicContact CB-CB 4.08Å
232	D	92.3	Very high	82.7	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.219	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-49.8	178.3	-58.8	-48.9	0	0	0	110.5	T228 Y229 F230 V234 I235 E236	T228-D232 HydrophobicContact CG2-CB 3.67Å; Y229-D232 PolarHBondContact N-OD2 3.21Å; Y229-D232 PolarHBondContact O-N 2.9Å; F230-D232 VanDerWaalsContact C-N 3.33Å; F230-D232 PolarHBondContact O-N 2.98Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.29Å; D232-I235 PolarHBondContact O-N 3.28Å; D232-E236 WeakPolarHBondContact O-CB 3.48Å; D232-E236 WeakPolarHBondContact O-CG 3.29Å; D232-E236 PolarHBondContact O-N 3.4Å
233	V	93.2	Very high	84.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-26.8	-177.1	-54	0	0	0	0	113.4	Y213 T228 Y229 F230 G237 Y245 W452	Y213-V233 VanDerWaalsContact CB-CG1 3.46Å; Y213-V233 HydrophobicContact CD1-CG1 3.99Å; Y213-V233 HydrophobicContact CD1-CG2 4.07Å; Y213-V233 HydrophobicContact CD2-CG1 4.05Å; Y213-V233 HydrophobicContact CD2-CG2 4.22Å; Y213-V233 HydrophobicContact CE1-CG2 4.13Å; Y213-V233 HydrophobicContact CE2-CG2 4.3Å; Y213-V233 HydrophobicContact CG-CB 4.46Å; Y213-V233 HydrophobicContact CG-CG1 3.55Å; Y213-V233 HydrophobicContact CG-CG2 4.13Å; T228-V233 HydrophobicContact CG2-CG1 3.63Å; Y229-V233 PolarHBondContact O-N 3.29Å; F230-V233 WeakPolarHBondContact O-CG2 3.36Å; F230-V233 PolarHBondContact O-N 3.1Å; V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.22Å; V233-G237 VanDerWaalsContact O-N 3.13Å; V233-Y245 HydrophobicContact CB-CD2 3.67Å; V233-Y245 HydrophobicContact CB-CE2 4.33Å; V233-Y245 HydrophobicContact CB-CG 3.84Å; V233-Y245 HydrophobicContact CG1-CD1 3.69Å; V233-Y245 HydrophobicContact CG1-CD2 3.56Å; V233-Y245 HydrophobicContact CG1-CE1 4.2Å; V233-Y245 HydrophobicContact CG1-CE2 4.05Å; V233-Y245 HydrophobicContact CG1-CG 3.35Å; V233-W452 HydrophobicContact CG2-CB 4Å; V233-W452 HydrophobicContact CG2-CG 4.26Å
234	V	93.2	Very high	86.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-42.1	173.5	172.8	0	0	0	0	110.6	F230 N231 D232 F341 C344 N451 A453	F230-V234 HydrophobicContact CD1-CG2 3.91Å; F230-V234 HydrophobicContact CD2-CG2 4.3Å; F230-V234 HydrophobicContact CE1-CG2 3.5Å; F230-V234 HydrophobicContact CE2-CG2 3.94Å; F230-V234 HydrophobicContact CG-CG2 4.3Å; F230-V234 HydrophobicContact CZ-CG2 3.52Å; F230-V234 WeakPolarHBondContact O-CG2 3.37Å; F230-V234 PolarHBondContact O-N 2.96Å; F230-V234 VanDerWaalsContact O-N 3.07Å; N231-V234 PolarHBondContact O-N 3.39Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.29Å; V234-F341 HydrophobicContact CG1-CB 4.22Å; V234-F341 HydrophobicContact CG1-CD2 4.07Å; V234-C344 HydrophobicContact CG1-CB 4.46Å; V234-N451 PolarHBondContact O-ND2 2.96Å; V234-A453 HydrophobicContact CG1-CB 4.11Å; V234-A453 HydrophobicContact CG2-CB 3.91Å
235	I	89.6	Confident	88.2	Confident	34 Å²	34	44.4 Å²	44.4	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-76.6	-48.8	-177.4	-61.9	162.3	0	0	0	111	N231 D232 C344 F351	N231-I235 WeakPolarHBondContact O-CD1 3.38Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.37Å; N231-I235 PolarHBondContact O-N 3.15Å; N231-I235 VanDerWaalsContact O-N 3.14Å; D232-I235 PolarHBondContact O-N 3.28Å; I235-C344 HydrophobicContact CD1-CB 4.07Å; I235-C344 WeakPolarHBondContact CD1-O 3.23Å; I235-C344 HydrophobicContact CG1-CB 3.97Å; I235-F351 HydrophobicContact CG2-CE1 3.9Å; I235-F351 HydrophobicContact CG2-CZ 4Å
236	E	87.6	Confident	89.9	Confident	69 Å²	69	37.5 Å²	37.5	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-70.5	-41.3	-176.3	-67.4	-174.1	174.1	0	0	111.7	R226 D232 L238 Y245	R226-E236 IonicContact CZ-OE1 3.61Å; R226-E236 IonicContact NH2-OE1 2.66Å; R226-E236 PolarHBondContact NH2-OE1 3.44Å; D232-E236 WeakPolarHBondContact O-CB 3.48Å; D232-E236 WeakPolarHBondContact O-CG 3.29Å; D232-E236 PolarHBondContact O-N 3.4Å; E236-L238 PolarHBondContact O-N 3.33Å; E236-Y245 HydrophobicContact CB-CE2 4.14Å; E236-Y245 WeakPolarHBondContact OE2-CE2 3.38Å; E236-Y245 PolarHBondContact OE2-OH 3.45Å
237	G	85.8	Confident	90.6	Very high	7 Å²	7	31.9 Å²	31.9	7%	0.072	18%	0.184	C	C	.	.			trans	71.6	-45.5	178.3	0	0	0	0	0	115.5	V233	V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.22Å; V233-G237 VanDerWaalsContact O-N 3.13Å
238	L	85	Confident	90.8	Very high	73 Å²	73	34.1 Å²	34.1	38%	0.382	19%	0.194	S	C	.	.	S	Bend	trans	-120.5	140.5	173.2	-170	72.5	0	0	0	109.1	E236 G243 L244 I450	E236-L238 PolarHBondContact O-N 3.33Å; L238-G243 WeakPolarHBondContact CD1-O 3.46Å; L238-L244 HydrophobicContact CD1-CD2 3.6Å; L238-I450 HydrophobicContact CB-CD1 3.88Å; L238-I450 HydrophobicContact CD1-CD1 3.69Å; L238-I450 HydrophobicContact CG-CD1 4.28Å
239	A	87.8	Confident	90.7	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	22%	0.218	C	C	.	.			trans	-70.9	157.6	175.5	0	0	0	0	0	111.5	D241 G242 G243 Y245	A239-D241 VanDerWaalsContact CB-OD1 3.29Å; A239-D241 WeakPolarHBondContact CB-OD1 3.49Å; A239-D241 PolarHBondContact O-N 2.89Å; A239-G242 PolarHBondContact O-N 3.5Å; A239-G243 WeakPolarHBondContact CB-O 3.45Å; A239-G243 PolarHBondContact N-O 3.48Å; A239-Y245 HydrophobicContact CB-CD1 4.4Å; A239-Y245 HydrophobicContact CB-CE1 3.83Å; A239-Y245 HydrophobicContact CB-CE2 4.02Å
240	A	84.3	Confident	90.6	Very high	106 Å²	106	39.4 Å²	39.4	88%	0.876	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	-176.7	0	0	0	0	0	113.9	G242	A240-G242 PolarHBondContact O-N 2.77Å
241	D	84.1	Confident	90.5	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.2	174.5	61.1	8.2	0	0	0	113.2	S215 R217 S218 A239 G243	S215-D241 VanDerWaalsContact CB-OD2 3.23Å; S215-D241 WeakPolarHBondContact CB-OD2 3.37Å; S215-D241 PolarHBondContact OG-OD1 2.79Å; S215-D241 PolarHBondContact OG-OD2 3.12Å; R217-D241 VanDerWaalsContact C-OD2 3.27Å; S218-D241 PolarHBondContact N-OD2 3.06Å; A239-D241 VanDerWaalsContact CB-OD1 3.29Å; A239-D241 WeakPolarHBondContact CB-OD1 3.49Å; A239-D241 PolarHBondContact O-N 2.89Å; D241-G243 VanDerWaalsContact C-N 3.25Å; D241-G243 PolarHBondContact O-N 3.33Å; D241-G243 WeakPolarHBondContact OD1-CA 3.18Å; D241-G243 PolarHBondContact OD1-N 3.08Å
242	G	84.1	Confident	90.5	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	23%	0.23	C	C	.	.	S	Bend	trans	78.8	4.4	-176.4	0	0	0	0	0	114.5	R217 A239 A240	R217-G242 VanDerWaalsContact CZ-O 3.27Å; R217-G242 PolarHBondContact NH2-O 3.46Å; A239-G242 PolarHBondContact O-N 3.5Å; A240-G242 PolarHBondContact O-N 2.77Å
243	G	90.9	Very high	90.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.			trans	-80	175.8	171.4	0	0	0	0	0	113.6	S215 L238 A239 D241 E552	S215-G243 WeakPolarHBondContact OG-CA 3.35Å; L238-G243 WeakPolarHBondContact CD1-O 3.46Å; A239-G243 WeakPolarHBondContact CB-O 3.45Å; A239-G243 PolarHBondContact N-O 3.48Å; D241-G243 VanDerWaalsContact C-N 3.25Å; D241-G243 PolarHBondContact O-N 3.33Å; D241-G243 WeakPolarHBondContact OD1-CA 3.18Å; D241-G243 PolarHBondContact OD1-N 3.08Å; G243-E552 WeakPolarHBondContact CA-OE1 3.45Å
244	L	94.1	Very high	90.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	25%	0.253	C	S	.	.			trans	-105	139.7	-179.2	-58.2	-170.5	0	0	0	110.8	T216 L238 I450 S549 E552 R553	T216-L244 HydrophobicContact CG2-CB 4.38Å; T216-L244 WeakPolarHBondContact CG2-O 3.41Å; T216-L244 PolarHBondContact N-O 2.78Å; T216-L244 PolarHBondContact OG1-N 3.37Å; T216-L244 PolarHBondContact OG1-O 2.86Å; L238-L244 HydrophobicContact CD1-CD2 3.6Å; L244-I450 HydrophobicContact CD2-CB 3.74Å; L244-I450 HydrophobicContact CD2-CG2 3.79Å; L244-S549 WeakPolarHBondContact CD1-O 3.34Å; L244-E552 HydrophobicContact CD1-CB 4.15Å; L244-R553 HydrophobicContact CB-CG 4.05Å; L244-R553 HydrophobicContact CD1-CG 3.95Å
245	Y	94.9	Very high	90.8	Very high	15 Å²	15	47.2 Å²	47.2	6%	0.059	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.9	174.7	-71.8	-61.4	0	0	0	112.8	V214 T228 V233 E236 A239 R553	V214-Y245 WeakPolarHBondContact O-CA 3.35Å; T228-Y245 HydrophobicContact CG2-CD1 4.47Å; T228-Y245 HydrophobicContact CG2-CE1 3.93Å; V233-Y245 HydrophobicContact CB-CD2 3.67Å; V233-Y245 HydrophobicContact CB-CE2 4.33Å; V233-Y245 HydrophobicContact CB-CG 3.84Å; V233-Y245 HydrophobicContact CG1-CD1 3.69Å; V233-Y245 HydrophobicContact CG1-CD2 3.56Å; V233-Y245 HydrophobicContact CG1-CE1 4.2Å; V233-Y245 HydrophobicContact CG1-CE2 4.05Å; V233-Y245 HydrophobicContact CG1-CG 3.35Å; E236-Y245 HydrophobicContact CB-CE2 4.14Å; E236-Y245 WeakPolarHBondContact OE2-CE2 3.38Å; E236-Y245 PolarHBondContact OE2-OH 3.45Å; A239-Y245 HydrophobicContact CB-CD1 4.4Å; A239-Y245 HydrophobicContact CB-CE1 3.83Å; A239-Y245 HydrophobicContact CB-CE2 4.02Å; Y245-R553 PolarHBondContact O-NE 3.38Å; Y245-R553 PolarHBondContact O-NH2 3.17Å
246	V	95.8	Very high	91.1	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.8	172.1	-66.9	0	0	0	0	110.3	Y213 V214 T216 K248 R553	Y213-V246 WeakPolarHBondContact CA-O 3.27Å; V214-V246 HydrophobicContact CG2-CG2 3.92Å; V214-V246 PolarHBondContact N-O 2.83Å; V214-V246 PolarHBondContact O-N 2.68Å; T216-V246 HydrophobicContact CG2-CG1 3.85Å; T216-V246 HydrophobicContact CG2-CG2 4.18Å; V246-K248 PolarHBondContact O-N 3.36Å; V246-R553 HydrophobicContact CG1-CB 4.47Å; V246-R553 HydrophobicContact CG1-CG 3.82Å
247	P	95.1	Very high	91.5	Very high	27 Å²	27	49.1 Å²	49.1	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.5	178.5	26.3	-33.7	0	0	0	110.6	Y213 K249 G250 F251 W452	Y213-P247 HydrophobicContact CE1-CB 4.2Å; P247-K249 VanDerWaalsContact C-N 3.31Å; P247-K249 PolarHBondContact O-N 3.28Å; P247-G250 PolarHBondContact O-N 3.43Å; P247-F251 HydrophobicContact CG-CD2 4.18Å; P247-F251 HydrophobicContact CG-CE2 4.04Å; P247-W452 VanDerWaalsContact CD-CH2 3.42Å; P247-W452 HydrophobicContact CG-CH2 4.16Å; P247-W452 HydrophobicContact CG-CZ2 4.08Å
248	K	93.1	Very high	92.1	Very high	139 Å²	139	49.2 Å²	49.2	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-38.2	-176.4	-173.7	176.7	-179.7	174.7	0	112.9	T212 V214 V246 G250	T212-K248 VanDerWaalsContact O-CB 3.22Å; T212-K248 WeakPolarHBondContact O-CB 3.4Å; T212-K248 PolarHBondContact O-N 3Å; T212-K248 WeakPolarHBondContact OG1-CD 3.12Å; V214-K248 HydrophobicContact CG1-CB 4.06Å; V214-K248 HydrophobicContact CG1-CD 4.03Å; V214-K248 HydrophobicContact CG1-CG 3.98Å; V214-K248 HydrophobicContact CG2-CB 4.47Å; V246-K248 PolarHBondContact O-N 3.36Å; K248-G250 VanDerWaalsContact C-N 3.31Å
249	K	90.6	Very high	92.7	Very high	135 Å²	135	45.9 Å²	45.9	59%	0.587	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.4	177.8	-71.4	-174.4	170.5	-179.3	0	113.7	E210 P247	E210-K249 WeakPolarHBondContact O-CD 3.19Å; E210-K249 WeakPolarHBondContact O-CE 3.38Å; E210-K249 IonicContact OE2-NZ 2.6Å; E210-K249 PolarHBondContact OE2-NZ 3.08Å; P247-K249 VanDerWaalsContact C-N 3.31Å; P247-K249 PolarHBondContact O-N 3.28Å
250	G	92.3	Very high	93.1	Very high	33 Å²	33	47.9 Å²	47.9	34%	0.34	27%	0.273	S	S	.	.			trans	75.5	-163.9	-172.7	0	0	0	0	0	113.1	P247 K248	P247-G250 PolarHBondContact O-N 3.43Å; K248-G250 VanDerWaalsContact C-N 3.31Å
251	F	93.6	Very high	93.7	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.11	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-87.7	148.1	177.2	-87	-103.6	0	0	0	111.6	P247 W452 L456 V459 Y498 Q501 M502	P247-F251 HydrophobicContact CG-CD2 4.18Å; P247-F251 HydrophobicContact CG-CE2 4.04Å; F251-W452 AromaticContact CE2-CH2 3.59Å; F251-W452 HydrophobicContact CE2-CH2 3.59Å; F251-W452 AromaticContact CE2-CZ2 3.96Å; F251-W452 HydrophobicContact CE2-CZ2 3.96Å; F251-W452 AromaticContact CZ-CH2 3.55Å; F251-W452 HydrophobicContact CZ-CH2 3.55Å; F251-W452 AromaticContact CZ-CZ2 3.62Å; F251-W452 HydrophobicContact CZ-CZ2 3.62Å; F251-L456 HydrophobicContact CE1-CD1 3.84Å; F251-L456 HydrophobicContact CZ-CD1 4.21Å; F251-V459 HydrophobicContact CE1-CG2 4.24Å; F251-Y498 HydrophobicContact CD1-CG 4.48Å; F251-Y498 AromaticContact CD2-CD1 3.35Å; F251-Y498 HydrophobicContact CD2-CD1 3.35Å; F251-Y498 HydrophobicContact CD2-CD2 4.4Å; F251-Y498 AromaticContact CD2-CE1 3.73Å; F251-Y498 HydrophobicContact CD2-CE1 3.73Å; F251-Y498 AromaticContact CD2-CG 3.73Å; F251-Y498 HydrophobicContact CD2-CG 3.73Å; F251-Y498 HydrophobicContact CE1-CD2 4.32Å; F251-Y498 HydrophobicContact CE1-CG 4.06Å; F251-Y498 AromaticContact CE2-CD1 3.17Å; F251-Y498 HydrophobicContact CE2-CD1 3.17Å; F251-Y498 AromaticContact CE2-CD2 3.46Å; F251-Y498 HydrophobicContact CE2-CD2 3.46Å; F251-Y498 VanDerWaalsContact CE2-CD2 3.46Å; F251-Y498 AromaticContact CE2-CE1 3.38Å; F251-Y498 HydrophobicContact CE2-CE1 3.38Å; F251-Y498 AromaticContact CE2-CE2 3.66Å; F251-Y498 HydrophobicContact CE2-CE2 3.66Å; F251-Y498 AromaticContact CE2-CG 3.22Å; F251-Y498 HydrophobicContact CE2-CG 3.22Å; F251-Y498 AromaticContact CE2-CZ 3.62Å; F251-Y498 HydrophobicContact CG-CD1 4.18Å; F251-Y498 HydrophobicContact CG-CG 4.33Å; F251-Y498 AromaticContact CZ-CD1 3.9Å; F251-Y498 HydrophobicContact CZ-CD1 3.9Å; F251-Y498 AromaticContact CZ-CD2 3.4Å; F251-Y498 HydrophobicContact CZ-CD2 3.4Å; F251-Y498 VanDerWaalsContact CZ-CD2 3.4Å; F251-Y498 HydrophobicContact CZ-CE1 4.33Å; F251-Y498 AromaticContact CZ-CE2 3.91Å; F251-Y498 HydrophobicContact CZ-CE2 3.91Å; F251-Y498 AromaticContact CZ-CG 3.41Å; F251-Y498 HydrophobicContact CZ-CG 3.41Å; F251-Y498 VanDerWaalsContact CZ-CG 3.41Å; F251-Q501 HydrophobicContact CB-CB 4.27Å; F251-M502 HydrophobicContact CB-CG 4.05Å; F251-M502 HydrophobicContact CD1-CG 3.84Å; F251-M502 HydrophobicContact CD1-SD 3.86Å; F251-M502 HydrophobicContact CE1-SD 4.45Å; F251-M502 HydrophobicContact CG-CG 4.37Å
252	P	93.7	Very high	94.3	Very high	39 Å²	39	40.5 Å²	40.5	25%	0.253	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-68.3	134	177.5	29.7	-35.6	0	0	0	110.8	K277 M502	P252-K277 HydrophobicContact CB-CB 4.45Å; P252-K277 HydrophobicContact CG-CB 3.91Å; P252-M502 HydrophobicContact CG-CE 4.23Å; P252-M502 WeakPolarHBondContact O-CA 3.43Å; P252-M502 WeakPolarHBondContact O-CG 3.31Å
253	D	94.2	Very high	95	Very high	130 Å²	130	40.8 Å²	40.8	70%	0.695	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-79.1	122.6	168.7	-177.8	24.2	0	0	0	109.8
254	V	96.2	Very high	95.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-101.4	122.1	-175.5	179.1	0	0	0	0	109.7	E258 W259 K277 M502	V254-E258 HydrophobicContact CG1-CB 3.83Å; V254-W259 HydrophobicContact CB-CD2 4.42Å; V254-W259 HydrophobicContact CB-CZ2 3.71Å; V254-W259 HydrophobicContact CG1-CD2 4.05Å; V254-W259 HydrophobicContact CG1-CG 4.23Å; V254-W259 HydrophobicContact CG1-CZ2 4.12Å; V254-W259 HydrophobicContact CG2-CZ2 4.03Å; V254-W259 PolarHBondContact O-NE1 3.36Å; V254-K277 HydrophobicContact CG2-CD 3.68Å; V254-M502 WeakPolarHBondContact CB-O 3.21Å; V254-M502 HydrophobicContact CG2-CB 4.46Å; V254-M502 HydrophobicContact CG2-CE 3.98Å; V254-M502 PolarHBondContact N-O 3.18Å
255	P	95	Very high	95.3	Very high	60 Å²	60	45.2 Å²	45.2	39%	0.39	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-61.3	146.9	-179	-24.1	33.3	0	0	0	113.3	G257 E258 W259	P255-G257 VanDerWaalsContact C-N 3.26Å; P255-G257 PolarHBondContact O-N 3.15Å; P255-G257 VanDerWaalsContact O-N 3.15Å; P255-E258 WeakPolarHBondContact O-CB 3.36Å; P255-E258 PolarHBondContact O-N 3.23Å; P255-W259 PolarHBondContact O-N 3.4Å
256	K	95.8	Very high	95.4	Very high	129 Å²	129	46.9 Å²	46.9	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-48.6	-44	177.6	179.4	175.3	-178.2	177.5	0	113.5	E258 W259 L260 F477	K256-E258 PolarHBondContact O-N 3.31Å; K256-W259 PolarHBondContact O-N 2.84Å; K256-L260 HydrophobicContact CG-CD1 4.17Å; K256-L260 HydrophobicContact CG-CG 4.33Å; K256-L260 WeakPolarHBondContact O-CG 3.05Å; K256-L260 PolarHBondContact O-N 3.45Å; K256-F477 HydrophobicContact CB-CE1 4.31Å; K256-F477 HydrophobicContact CD-CD1 4.29Å; K256-F477 HydrophobicContact CG-CD1 3.79Å; K256-F477 HydrophobicContact CG-CE1 3.9Å
257	G	95.8	Very high	95.5	Very high	14 Å²	14	46.9 Å²	46.9	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-33.7	-179.9	0	0	0	0	0	113.1	G186 M187 P255 R261	G186-G257 VanDerWaalsContact CA-C 3.45Å; G186-G257 WeakPolarHBondContact CA-O 3.4Å; M187-G257 PolarHBondContact N-O 2.76Å; P255-G257 VanDerWaalsContact C-N 3.26Å; P255-G257 PolarHBondContact O-N 3.15Å; P255-G257 VanDerWaalsContact O-N 3.15Å; G257-R261 PolarHBondContact O-N 2.88Å
258	E	97.3	Very high	95.6	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-74.1	-43.1	176.7	-63.9	-173.3	-151.4	0	0	111.2	F184 K197 V254 P255 K256 L260 R261 L262 K277	F184-E258 HydrophobicContact CD1-CB 3.8Å; F184-E258 HydrophobicContact CD1-CG 3.78Å; F184-E258 HydrophobicContact CE1-CB 3.96Å; F184-E258 HydrophobicContact CE1-CG 4.36Å; K197-E258 WeakPolarHBondContact CE-OE1 3.44Å; K197-E258 IonicContact NZ-OE1 3.48Å; K197-E258 PolarHBondContact NZ-OE1 3.35Å; V254-E258 HydrophobicContact CG1-CB 3.83Å; P255-E258 WeakPolarHBondContact O-CB 3.36Å; P255-E258 PolarHBondContact O-N 3.23Å; K256-E258 PolarHBondContact O-N 3.31Å; E258-L260 VanDerWaalsContact C-N 3.32Å; E258-L260 PolarHBondContact O-N 3.22Å; E258-R261 WeakPolarHBondContact O-CB 3.43Å; E258-R261 PolarHBondContact O-N 3.14Å; E258-R261 VanDerWaalsContact O-N 3.1Å; E258-L262 WeakPolarHBondContact O-CG 3.05Å; E258-L262 PolarHBondContact O-N 2.89Å; E258-L262 VanDerWaalsContact O-N 3.08Å; E258-K277 WeakPolarHBondContact OE2-CE 3.37Å; E258-K277 IonicContact OE2-NZ 3.12Å; E258-K277 PolarHBondContact OE2-NZ 3.11Å
259	W	97.9	Very high	95.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-44.2	173.3	-72.6	120.3	0	0	0	112.9	V254 P255 K256 R261 L262 I263 L274 L467 F477 M502 I504	V254-W259 HydrophobicContact CB-CD2 4.42Å; V254-W259 HydrophobicContact CB-CZ2 3.71Å; V254-W259 HydrophobicContact CG1-CD2 4.05Å; V254-W259 HydrophobicContact CG1-CG 4.23Å; V254-W259 HydrophobicContact CG1-CZ2 4.12Å; V254-W259 HydrophobicContact CG2-CZ2 4.03Å; V254-W259 PolarHBondContact O-NE1 3.36Å; P255-W259 PolarHBondContact O-N 3.4Å; K256-W259 PolarHBondContact O-N 2.84Å; W259-R261 PolarHBondContact O-N 2.98Å; W259-L262 HydrophobicContact CE3-CD1 3.66Å; W259-L262 HydrophobicContact CZ3-CD1 3.86Å; W259-L262 WeakPolarHBondContact O-CB 3.42Å; W259-L262 PolarHBondContact O-N 3.36Å; W259-I263 PolarHBondContact O-N 3.24Å; W259-L274 HydrophobicContact CH2-CD1 4.49Å; W259-L274 HydrophobicContact CH2-CD2 3.55Å; W259-L274 HydrophobicContact CZ3-CD1 4.23Å; W259-L274 HydrophobicContact CZ3-CD2 3.58Å; W259-L467 HydrophobicContact CE3-CD1 4.24Å; W259-L467 HydrophobicContact CE3-CD2 4.21Å; W259-L467 HydrophobicContact CZ3-CD1 4.34Å; W259-L467 WeakPolarHBondContact O-CD2 3.39Å; W259-F477 HydrophobicContact CB-CD2 3.89Å; W259-F477 HydrophobicContact CB-CE1 4.09Å; W259-F477 HydrophobicContact CB-CE2 3.24Å; W259-F477 HydrophobicContact CB-CZ 3.36Å; W259-F477 AromaticContact CD1-CZ 3.35Å; W259-F477 HydrophobicContact CD2-CE2 4.19Å; W259-F477 HydrophobicContact CD2-CZ 4.25Å; W259-F477 HydrophobicContact CG-CE1 4.34Å; W259-F477 AromaticContact CG-CE2 3.53Å; W259-F477 HydrophobicContact CG-CE2 3.53Å; W259-F477 AromaticContact CG-CZ 3.36Å; W259-F477 HydrophobicContact CG-CZ 3.36Å; W259-M502 HydrophobicContact CH2-CB 4.42Å; W259-M502 HydrophobicContact CZ2-CB 3.92Å; W259-M502 WeakPolarHBondContact CZ2-O 3.45Å; W259-M502 PolarHBondContact NE1-O 3Å; W259-I504 HydrophobicContact CD2-CD1 3.99Å; W259-I504 HydrophobicContact CE3-CD1 3.76Å; W259-I504 HydrophobicContact CH2-CD1 3.73Å; W259-I504 HydrophobicContact CH2-CG1 3.91Å; W259-I504 HydrophobicContact CZ2-CD1 3.94Å; W259-I504 HydrophobicContact CZ2-CG1 4.03Å; W259-I504 HydrophobicContact CZ3-CD1 3.64Å; W259-I504 HydrophobicContact CZ3-CG1 4.3Å
260	L	97.3	Very high	96.2	Very high	49 Å²	49	35.5 Å²	35.5	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-36.7	176.6	-71.4	174.8	0	0	0	112.2	M187 K256 E258 L262 I263 F477	M187-L260 HydrophobicContact CB-CB 4.3Å; M187-L260 HydrophobicContact SD-CB 4.38Å; K256-L260 HydrophobicContact CG-CD1 4.17Å; K256-L260 HydrophobicContact CG-CG 4.33Å; K256-L260 WeakPolarHBondContact O-CG 3.05Å; K256-L260 PolarHBondContact O-N 3.45Å; E258-L260 VanDerWaalsContact C-N 3.32Å; E258-L260 PolarHBondContact O-N 3.22Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-I263 HydrophobicContact CD2-CD1 3.85Å; L260-I263 WeakPolarHBondContact O-CB 3.39Å; L260-I263 PolarHBondContact O-N 2.95Å; L260-F477 HydrophobicContact CD2-CB 3.72Å; L260-F477 HydrophobicContact CD2-CG 4.22Å
261	R	95.8	Very high	96.5	Very high	7 Å²	7	34 Å²	34	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-71.1	-30.4	176.7	-170.3	178.8	167.1	-147.2	-2.8	112.6	D137 V138 F184 C185 G257 E258 W259 I263 M265	D137-R261 PolarHBondContact O-NH1 3.39Å; D137-R261 PolarHBondContact O-NH2 3.33Å; D137-R261 IonicContact OD1-CZ 3.07Å; D137-R261 IonicContact OD1-NH1 3.89Å; D137-R261 IonicContact OD1-NH2 3.77Å; D137-R261 PolarHBondContact OD1-NH2 2.95Å; D137-R261 IonicContact OD2-NH2 2.79Å; V138-R261 PolarHBondContact O-NH2 3.15Å; F184-R261 HydrophobicContact CE1-CB 3.95Å; F184-R261 HydrophobicContact CE1-CG 4.15Å; F184-R261 VanDerWaalsContact CE2-CZ 3.45Å; F184-R261 HydrophobicContact CZ-CB 4.01Å; F184-R261 HydrophobicContact CZ-CG 3.77Å; C185-R261 WeakPolarHBondContact O-CD 3.49Å; C185-R261 PolarHBondContact O-NH1 3Å; G257-R261 PolarHBondContact O-N 2.88Å; E258-R261 WeakPolarHBondContact O-CB 3.43Å; E258-R261 PolarHBondContact O-N 3.14Å; E258-R261 VanDerWaalsContact O-N 3.1Å; W259-R261 PolarHBondContact O-N 2.98Å; R261-I263 VanDerWaalsContact C-N 3.29Å; R261-I263 PolarHBondContact O-N 3.22Å; R261-M265 HydrophobicContact CG-CE 4.27Å
262	L	97.8	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.5	-19.6	176.8	-67	172.3	0	0	0	113.4	F184 E258 W259 L260 S264 M265 R270 V273 L274 L467	F184-L262 HydrophobicContact CE1-CD2 4.22Å; F184-L262 HydrophobicContact CE1-CG 4.18Å; F184-L262 HydrophobicContact CZ-CD2 3.79Å; F184-L262 HydrophobicContact CZ-CG 4.16Å; E258-L262 WeakPolarHBondContact O-CG 3.05Å; E258-L262 PolarHBondContact O-N 2.89Å; E258-L262 VanDerWaalsContact O-N 3.08Å; W259-L262 HydrophobicContact CE3-CD1 3.66Å; W259-L262 HydrophobicContact CZ3-CD1 3.86Å; W259-L262 WeakPolarHBondContact O-CB 3.42Å; W259-L262 PolarHBondContact O-N 3.36Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.43Å; L262-M265 HydrophobicContact CD2-SD 3.79Å; L262-M265 PolarHBondContact O-N 3.43Å; L262-M265 VanDerWaalsContact O-N 3.12Å; L262-R270 HydrophobicContact CB-CG 4.42Å; L262-R270 HydrophobicContact CD2-CG 4.37Å; L262-R270 PolarHBondContact O-NE 3.36Å; L262-V273 HydrophobicContact CD2-CB 3.97Å; L262-V273 HydrophobicContact CD2-CG1 3.99Å; L262-V273 HydrophobicContact CD2-CG2 4.27Å; L262-L274 HydrophobicContact CD1-CD2 3.86Å; L262-L274 HydrophobicContact CD1-CG 4.35Å; L262-L467 HydrophobicContact CB-CD1 3.66Å; L262-L467 HydrophobicContact CB-CD2 4.43Å
263	I	97.8	Very high	96.9	Very high	30 Å²	30	31.2 Å²	31.2	15%	0.154	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-43.7	-179.1	-66.2	174.6	0	0	0	111.8	W259 L260 R261 R270 L467 C470 R471	W259-I263 PolarHBondContact O-N 3.24Å; L260-I263 HydrophobicContact CD2-CD1 3.85Å; L260-I263 WeakPolarHBondContact O-CB 3.39Å; L260-I263 PolarHBondContact O-N 2.95Å; R261-I263 VanDerWaalsContact C-N 3.29Å; R261-I263 PolarHBondContact O-N 3.22Å; I263-R270 PolarHBondContact O-NH2 2.96Å; I263-L467 HydrophobicContact CG1-CD2 3.76Å; I263-C470 HydrophobicContact CD1-CB 3.86Å; I263-C470 HydrophobicContact CG1-CB 4.15Å; I263-C470 HydrophobicContact CG2-CB 4.41Å; I263-R471 HydrophobicContact CG2-CB 3.69Å; I263-R471 HydrophobicContact CG2-CG 4.35Å
264	S	94.4	Very high	97.1	Very high	79 Å²	79	25.3 Å²	25.3	55%	0.552	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.7	-177.4	55.1	0	0	0	0	114.8	L262	L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.43Å
265	M	96.4	Very high	97.2	Very high	18 Å²	18	25.3 Å²	25.3	9%	0.089	14%	0.143	C	C	.	.	S	Bend	trans	-83	153.2	-176	-67.1	-166	174	0	0	112.4	F184 R261 L262 E269 R270	F184-M265 HydrophobicContact CE2-CE 3.63Å; F184-M265 HydrophobicContact CE2-SD 4.25Å; F184-M265 HydrophobicContact CZ-CE 3.72Å; F184-M265 HydrophobicContact CZ-SD 4.21Å; R261-M265 HydrophobicContact CG-CE 4.27Å; L262-M265 HydrophobicContact CD2-SD 3.79Å; L262-M265 PolarHBondContact O-N 3.43Å; L262-M265 VanDerWaalsContact O-N 3.12Å; M265-E269 HydrophobicContact CB-CB 3.97Å; M265-E269 HydrophobicContact CG-CB 4.47Å; M265-E269 HydrophobicContact SD-CB 4.21Å; M265-R270 HydrophobicContact CB-CG 3.89Å; M265-R270 PolarHBondContact O-NE 3Å; M265-R270 VanDerWaalsContact O-NE 3.13Å
266	S	97.2	Very high	97.3	Very high	50 Å²	50	23.3 Å²	23.3	35%	0.35	13%	0.128	S	C	.	.			trans	-69.1	162.9	170.8	62.7	0	0	0	0	111.8	E269 R270	S266-E269 WeakPolarHBondContact CB-OE2 3.44Å; S266-E269 PolarHBondContact N-OE2 3Å; S266-E269 PolarHBondContact O-N 3.47Å; S266-E269 VanDerWaalsContact OG-CG 3.23Å; S266-E269 WeakPolarHBondContact OG-CG 3.28Å; S266-E269 PolarHBondContact OG-OE2 3.43Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å
267	Y	98.6	Very high	97.3	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.02	11%	0.112	C	C	.	.	H	α-helix	trans	-55.9	-47.8	178.3	-174.7	-76	0	0	0	112.9	E269 R270 A271 Y297 V306 A307 V460 S464	Y267-E269 VanDerWaalsContact C-N 3.32Å; Y267-E269 PolarHBondContact O-N 3.13Å; Y267-R270 PolarHBondContact O-N 3.21Å; Y267-A271 HydrophobicContact CE1-CB 4.47Å; Y267-A271 WeakPolarHBondContact O-CB 3.47Å; Y267-A271 PolarHBondContact O-N 2.96Å; Y267-Y297 HydrophobicContact CD1-CD2 4.1Å; Y267-Y297 HydrophobicContact CD1-CG 4.06Å; Y267-Y297 HydrophobicContact CE1-CD1 4.01Å; Y267-Y297 AromaticContact CE1-CD2 3.82Å; Y267-Y297 HydrophobicContact CE1-CD2 3.82Å; Y267-Y297 HydrophobicContact CE1-CE1 4.12Å; Y267-Y297 AromaticContact CE1-CE2 3.92Å; Y267-Y297 HydrophobicContact CE1-CE2 3.92Å; Y267-Y297 AromaticContact CE1-CG 3.87Å; Y267-Y297 HydrophobicContact CE1-CG 3.87Å; Y267-V306 HydrophobicContact CD1-CB 3.88Å; Y267-V306 HydrophobicContact CD1-CG1 3.81Å; Y267-V306 HydrophobicContact CD1-CG2 4.02Å; Y267-V306 HydrophobicContact CD2-CB 4.04Å; Y267-V306 HydrophobicContact CD2-CG1 4.37Å; Y267-V306 HydrophobicContact CE1-CB 4.43Å; Y267-V306 HydrophobicContact CE1-CG1 3.91Å; Y267-V306 HydrophobicContact CE2-CG1 4.43Å; Y267-V306 HydrophobicContact CG-CB 3.69Å; Y267-V306 HydrophobicContact CG-CG1 4.09Å; Y267-V306 HydrophobicContact CG-CG2 4Å; Y267-A307 HydrophobicContact CD2-CB 4.43Å; Y267-A307 HydrophobicContact CE2-CB 4.02Å; Y267-V460 HydrophobicContact CE1-CG1 3.97Å; Y267-V460 HydrophobicContact CE2-CG1 4.15Å; Y267-S464 WeakPolarHBondContact CD2-OG 3.37Å
268	P	98.1	Very high	97.3	Very high	13 Å²	13	19.4 Å²	19.4	8%	0.084	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-34.8	178.7	-21.9	35.1	0	0	0	113	A271 S272 V293 F294 Y297	P268-A271 PolarHBondContact O-N 3.27Å; P268-S272 PolarHBondContact O-N 3.16Å; P268-S272 PolarHBondContact O-OG 3.01Å; P268-S272 VanDerWaalsContact O-OG 3.11Å; P268-V293 HydrophobicContact CB-CG1 4.11Å; P268-V293 VanDerWaalsContact O-CG1 3.23Å; P268-V293 WeakPolarHBondContact O-CG1 3.41Å; P268-F294 HydrophobicContact CB-CD1 4.29Å; P268-F294 HydrophobicContact CB-CD2 3.91Å; P268-F294 HydrophobicContact CB-CE1 4.07Å; P268-F294 HydrophobicContact CB-CE2 3.59Å; P268-F294 HydrophobicContact CB-CG 4.23Å; P268-F294 HydrophobicContact CB-CZ 3.72Å; P268-Y297 WeakPolarHBondContact CG-O 3.48Å
269	E	97.1	Very high	97.3	Very high	47 Å²	47	19 Å²	19	22%	0.22	11%	0.107	C	C	.	.	H	α-helix	trans	-66.9	-44.3	174.9	-71	174.6	122.4	0	0	112	K172 M265 S266 Y267 A271 S272 V273 F294	K172-E269 IonicContact NZ-OE1 3.75Å; K172-E269 PolarHBondContact NZ-OE1 3.3Å; M265-E269 HydrophobicContact CB-CB 3.97Å; M265-E269 HydrophobicContact CG-CB 4.47Å; M265-E269 HydrophobicContact SD-CB 4.21Å; S266-E269 WeakPolarHBondContact CB-OE2 3.44Å; S266-E269 PolarHBondContact N-OE2 3Å; S266-E269 PolarHBondContact O-N 3.47Å; S266-E269 VanDerWaalsContact OG-CG 3.23Å; S266-E269 WeakPolarHBondContact OG-CG 3.28Å; S266-E269 PolarHBondContact OG-OE2 3.43Å; Y267-E269 VanDerWaalsContact C-N 3.32Å; Y267-E269 PolarHBondContact O-N 3.13Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.78Å; E269-S272 PolarHBondContact O-N 3.42Å; E269-V273 WeakPolarHBondContact O-CG2 3.36Å; E269-V273 PolarHBondContact O-N 3.29Å; E269-V273 VanDerWaalsContact O-N 3.11Å; E269-F294 HydrophobicContact CG-CZ 3.95Å
270	R	98.3	Very high	97.2	Very high	2 Å²	2	19 Å²	19	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.2	-68	173.2	-179	166.7	2.4	110.7	L262 I263 M265 S266 Y267 S272 V273 L274 S464 L467 D468	L262-R270 HydrophobicContact CB-CG 4.42Å; L262-R270 HydrophobicContact CD2-CG 4.37Å; L262-R270 PolarHBondContact O-NE 3.36Å; I263-R270 PolarHBondContact O-NH2 2.96Å; M265-R270 HydrophobicContact CB-CG 3.89Å; M265-R270 PolarHBondContact O-NE 3Å; M265-R270 VanDerWaalsContact O-NE 3.13Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å; Y267-R270 PolarHBondContact O-N 3.21Å; R270-S272 PolarHBondContact O-N 3.33Å; R270-V273 PolarHBondContact O-N 3.49Å; R270-L274 WeakPolarHBondContact O-CB 3.31Å; R270-L274 VanDerWaalsContact O-CG 3.24Å; R270-L274 WeakPolarHBondContact O-CG 3.46Å; R270-L274 PolarHBondContact O-N 2.88Å; R270-S464 PolarHBondContact NH1-O 2.96Å; R270-S464 PolarHBondContact NH1-OG 3.47Å; R270-L467 HydrophobicContact CG-CD1 4.39Å; R270-D468 IonicContact CZ-OD1 3.38Å; R270-D468 VanDerWaalsContact CZ-OD1 3.28Å; R270-D468 IonicContact NH1-OD1 3.92Å; R270-D468 PolarHBondContact NH1-OD1 3.08Å; R270-D468 IonicContact NH2-OD1 3.65Å; R270-D468 PolarHBondContact NH2-OD1 2.99Å
271	A	98.6	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-46.7	177	0	0	0	0	0	111.8	Y267 P268 E269 L275 V293 Y297 V460	Y267-A271 HydrophobicContact CE1-CB 4.47Å; Y267-A271 WeakPolarHBondContact O-CB 3.47Å; Y267-A271 PolarHBondContact O-N 2.96Å; P268-A271 PolarHBondContact O-N 3.27Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.78Å; A271-L275 WeakPolarHBondContact O-CB 3.41Å; A271-L275 WeakPolarHBondContact O-CG 3.45Å; A271-L275 PolarHBondContact O-N 3.4Å; A271-V293 HydrophobicContact CB-CG1 3.61Å; A271-V293 HydrophobicContact CB-CG2 4.48Å; A271-Y297 HydrophobicContact CB-CD2 4.31Å; A271-Y297 HydrophobicContact CB-CE2 4.1Å; A271-V460 HydrophobicContact CB-CG1 3.74Å; A271-V460 HydrophobicContact CB-CG2 4.37Å
272	S	97.8	Very high	97	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-52.4	176.6	-60.6	0	0	0	0	111.4	P268 E269 R270 L274 L275 E276	P268-S272 PolarHBondContact O-N 3.16Å; P268-S272 PolarHBondContact O-OG 3.01Å; P268-S272 VanDerWaalsContact O-OG 3.11Å; E269-S272 PolarHBondContact O-N 3.42Å; R270-S272 PolarHBondContact O-N 3.33Å; S272-L274 PolarHBondContact O-N 3.36Å; S272-L275 PolarHBondContact O-N 3.5Å; S272-E276 WeakPolarHBondContact O-CB 3.25Å; S272-E276 WeakPolarHBondContact O-CG 3.46Å; S272-E276 PolarHBondContact O-N 2.91Å
273	V	97.4	Very high	96.9	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-42.6	-176.4	176.6	0	0	0	0	112	F184 L262 E269 R270 K277	F184-V273 HydrophobicContact CB-CG1 4.47Å; F184-V273 HydrophobicContact CD1-CG1 4.14Å; F184-V273 HydrophobicContact CD2-CG1 3.86Å; F184-V273 HydrophobicContact CD2-CG2 3.93Å; F184-V273 HydrophobicContact CE1-CG1 4.31Å; F184-V273 HydrophobicContact CE2-CG1 4.04Å; F184-V273 HydrophobicContact CE2-CG2 3.74Å; F184-V273 HydrophobicContact CG-CG1 3.91Å; F184-V273 HydrophobicContact CZ-CG1 4.26Å; F184-V273 HydrophobicContact CZ-CG2 4.45Å; L262-V273 HydrophobicContact CD2-CB 3.97Å; L262-V273 HydrophobicContact CD2-CG1 3.99Å; L262-V273 HydrophobicContact CD2-CG2 4.27Å; E269-V273 WeakPolarHBondContact O-CG2 3.36Å; E269-V273 PolarHBondContact O-N 3.29Å; E269-V273 VanDerWaalsContact O-N 3.11Å; R270-V273 PolarHBondContact O-N 3.49Å; V273-K277 WeakPolarHBondContact O-CG 3.48Å
274	L	98.4	Very high	96.8	Very high	5 Å²	5	21 Å²	21	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-39.5	-178.7	-66.3	175.5	0	0	0	112	W259 L262 R270 S272 K277 C278 M502	W259-L274 HydrophobicContact CH2-CD1 4.49Å; W259-L274 HydrophobicContact CH2-CD2 3.55Å; W259-L274 HydrophobicContact CZ3-CD1 4.23Å; W259-L274 HydrophobicContact CZ3-CD2 3.58Å; L262-L274 HydrophobicContact CD1-CD2 3.86Å; L262-L274 HydrophobicContact CD1-CG 4.35Å; R270-L274 WeakPolarHBondContact O-CB 3.31Å; R270-L274 VanDerWaalsContact O-CG 3.24Å; R270-L274 WeakPolarHBondContact O-CG 3.46Å; R270-L274 PolarHBondContact O-N 2.88Å; S272-L274 PolarHBondContact O-N 3.36Å; L274-K277 PolarHBondContact O-N 3.33Å; L274-C278 PolarHBondContact O-SG 3.17Å; L274-M502 HydrophobicContact CB-CE 4.48Å; L274-M502 HydrophobicContact CD2-CE 3.87Å
275	L	98.3	Very high	96.9	Very high	4 Å²	4	19 Å²	19	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-73.1	-34.3	178.6	-65	173.9	0	0	0	112.3	A271 S272 K277 C278 I279 L289 V293 L336 L456 V460	A271-L275 WeakPolarHBondContact O-CB 3.41Å; A271-L275 WeakPolarHBondContact O-CG 3.45Å; A271-L275 PolarHBondContact O-N 3.4Å; S272-L275 PolarHBondContact O-N 3.5Å; L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.16Å; L275-C278 PolarHBondContact O-N 2.85Å; L275-I279 HydrophobicContact CB-CD1 4.32Å; L275-I279 WeakPolarHBondContact O-CB 3.47Å; L275-I279 PolarHBondContact O-N 2.99Å; L275-L289 HydrophobicContact CB-CD1 4.25Å; L275-L289 HydrophobicContact CB-CD2 3.85Å; L275-L289 HydrophobicContact CB-CG 4.44Å; L275-L289 HydrophobicContact CD1-CD1 4.34Å; L275-V293 HydrophobicContact CD1-CG2 3.87Å; L275-L336 HydrophobicContact CD1-CD2 3.56Å; L275-L456 HydrophobicContact CD2-CD1 4.33Å; L275-L456 HydrophobicContact CD2-CD2 3.89Å; L275-L456 HydrophobicContact CD2-CG 3.64Å; L275-V460 HydrophobicContact CD2-CG2 4.2Å; L275-V460 HydrophobicContact CG-CG2 4.18Å
276	E	97.1	Very high	96.9	Very high	19 Å²	19	18.6 Å²	18.6	9%	0.089	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-25.7	172.7	-79.6	175.5	-154.1	0	0	112.5	R182 R204 S272 P286 L289	R182-E276 WeakPolarHBondContact CB-OE2 3.4Å; R182-E276 WeakPolarHBondContact CD-OE2 3.12Å; R182-E276 IonicContact CZ-OE1 2.7Å; R182-E276 IonicContact CZ-OE2 3.98Å; R182-E276 IonicContact NE-OE1 3.44Å; R182-E276 PolarHBondContact NE-OE1 2.98Å; R182-E276 IonicContact NE-OE2 2.64Å; R182-E276 PolarHBondContact NE-OE2 3.11Å; R182-E276 IonicContact NH2-OE1 3.57Å; R182-E276 PolarHBondContact NH2-OE1 2.94Å; R182-E276 IonicContact NH2-OE2 3.65Å; R204-E276 PolarHBondContact NH1-O 2.9Å; R204-E276 PolarHBondContact NH2-O 3.34Å; S272-E276 WeakPolarHBondContact O-CB 3.25Å; S272-E276 WeakPolarHBondContact O-CG 3.46Å; S272-E276 PolarHBondContact O-N 2.91Å; E276-P286 HydrophobicContact CG-CB 4.24Å; E276-L289 HydrophobicContact CB-CD2 4.49Å; E276-L289 HydrophobicContact CG-CD2 3.92Å
277	K	96.1	Very high	96.8	Very high	48 Å²	48	19.5 Å²	19.5	21%	0.209	11%	0.105	C	C	.	.	H	α-helix	trans	-81.3	-22.9	175.4	-66.5	177.2	177.2	-66.2	0	113.7	R204 P252 V254 E258 V273 L274 L275	R204-K277 PolarHBondContact NH2-O 3.11Å; P252-K277 HydrophobicContact CB-CB 4.45Å; P252-K277 HydrophobicContact CG-CB 3.91Å; V254-K277 HydrophobicContact CG2-CD 3.68Å; E258-K277 WeakPolarHBondContact OE2-CE 3.37Å; E258-K277 IonicContact OE2-NZ 3.12Å; E258-K277 PolarHBondContact OE2-NZ 3.11Å; V273-K277 WeakPolarHBondContact O-CG 3.48Å; L274-K277 PolarHBondContact O-N 3.33Å; L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.16Å
278	C	96.6	Very high	96.7	Very high	12 Å²	12	22.4 Å²	22.4	8%	0.081	12%	0.12	C	C	.	.	H	α-helix	trans	-105	-13.9	-175.7	-61.9	0	0	0	0	113.4	L274 L275 L456	L274-C278 PolarHBondContact O-SG 3.17Å; L275-C278 PolarHBondContact O-N 2.85Å; C278-L456 HydrophobicContact CB-CD1 3.79Å; C278-L456 HydrophobicContact CB-CD2 4.02Å; C278-L456 HydrophobicContact CB-CG 4.5Å
279	I	96.8	Very high	96.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	12%	0.117	C	C	.	.	S	Bend	trans	-118.2	128	179.6	-56.6	173.8	0	0	0	107.3	R204 F230 L275 D283 V284 L289 L340 L456	R204-I279 VanDerWaalsContact NH2-C 3.29Å; R204-I279 PolarHBondContact NH2-O 2.83Å; F230-I279 HydrophobicContact CD1-CG2 3.82Å; F230-I279 HydrophobicContact CD2-CG1 4.16Å; F230-I279 HydrophobicContact CD2-CG2 4.47Å; F230-I279 HydrophobicContact CE1-CD1 4.07Å; F230-I279 HydrophobicContact CE1-CG1 4.36Å; F230-I279 HydrophobicContact CE1-CG2 4.06Å; F230-I279 HydrophobicContact CE2-CD1 4Å; F230-I279 HydrophobicContact CE2-CG1 3.82Å; F230-I279 HydrophobicContact CG-CG2 4.03Å; F230-I279 HydrophobicContact CZ-CD1 3.63Å; F230-I279 HydrophobicContact CZ-CG1 3.93Å; F230-I279 HydrophobicContact CZ-CG2 4.47Å; L275-I279 HydrophobicContact CB-CD1 4.32Å; L275-I279 WeakPolarHBondContact O-CB 3.47Å; L275-I279 PolarHBondContact O-N 2.99Å; I279-D283 HydrophobicContact CG2-CB 4.49Å; I279-V284 HydrophobicContact CG2-CB 3.82Å; I279-V284 HydrophobicContact CG2-CG2 3.77Å; I279-L289 HydrophobicContact CD1-CD1 4.02Å; I279-L289 HydrophobicContact CD1-CD2 4.3Å; I279-L340 HydrophobicContact CD1-CD2 4.45Å; I279-L456 HydrophobicContact CD1-CD2 4.11Å; I279-L456 HydrophobicContact CG1-CD2 3.88Å
280	H	96.3	Very high	96.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.114	C	C	.	.			trans	-68.9	135.6	179.4	-169.2	-89.7	0	0	0	110.3	R204 H208 E211 L282 D283 V284	R204-H280 PolarHBondContact O-NE2 3.25Å; H208-H280 AromaticContact CD2-CE1 3.64Å; H208-H280 AromaticContact CD2-CG 3.51Å; H208-H280 AromaticContact CD2-ND1 3.17Å; H208-H280 PolarHBondContact CD2-ND1 3.45Å; H208-H280 AromaticContact CG-CE1 3.9Å; H208-H280 AromaticContact CG-ND1 3.86Å; E211-H280 IonicContact OE2-CD2 2.67Å; E211-H280 PolarHBondContact OE2-CD2 3.13Å; H280-L282 WeakPolarHBondContact ND1-CB 3.28Å; H280-L282 PolarHBondContact ND1-N 3.46Å; H280-L282 VanDerWaalsContact ND1-N 3.13Å; H280-L282 PolarHBondContact O-N 3.29Å; H280-L282 VanDerWaalsContact O-N 3.12Å; H280-D283 WeakPolarHBondContact O-CB 3.42Å; H280-D283 PolarHBondContact O-N 2.98Å; H280-V284 PolarHBondContact O-N 3.35Å; H280-V284 VanDerWaalsContact O-N 3.16Å
281	P	95.3	Very high	96.5	Very high	16 Å²	16	25 Å²	25	10%	0.104	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	-177	22.8	-35.7	0	0	0	115.1	D180 Y205 V284 S285 P286	D180-P281 WeakPolarHBondContact O-CB 3.21Å; Y205-P281 HydrophobicContact CD2-CB 4.08Å; Y205-P281 HydrophobicContact CD2-CG 3.56Å; Y205-P281 HydrophobicContact CE2-CB 4.31Å; Y205-P281 HydrophobicContact CE2-CG 4.24Å; P281-V284 WeakPolarHBondContact CA-O 3.19Å; P281-V284 CarbonylContact O-C 3.59Å; P281-S285 WeakPolarHBondContact O-CA 3.21Å; P281-P286 HydrophobicContact CB-CG 4.27Å
282	L	93.6	Very high	96.5	Very high	93 Å²	93	25.7 Å²	25.7	49%	0.487	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-21.8	171.6	-62.9	-178.6	0	0	0	113.5	Y205 H208 H280	Y205-L282 HydrophobicContact CE2-CD2 3.81Å; Y205-L282 HydrophobicContact CE2-CG 4.35Å; H208-L282 HydrophobicContact CB-CD1 3.87Å; H280-L282 WeakPolarHBondContact ND1-CB 3.28Å; H280-L282 PolarHBondContact ND1-N 3.46Å; H280-L282 VanDerWaalsContact ND1-N 3.13Å; H280-L282 PolarHBondContact O-N 3.29Å; H280-L282 VanDerWaalsContact O-N 3.12Å
283	D	95.3	Very high	96.5	Very high	15 Å²	15	25.7 Å²	25.7	8%	0.08	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-42.2	174.9	-65.7	-24.8	0	0	0	110.7	H208 F230 I279 H280	H208-D283 IonicContact CD2-OD1 3.76Å; H208-D283 IonicContact CE1-OD1 3.89Å; H208-D283 IonicContact NE2-OD1 3.66Å; H208-D283 PolarHBondContact NE2-OD1 2.88Å; H208-D283 IonicContact NE2-OD2 3.65Å; F230-D283 HydrophobicContact CB-CB 3.91Å; F230-D283 WeakPolarHBondContact CB-OD2 3.33Å; F230-D283 HydrophobicContact CD1-CB 4.41Å; F230-D283 PolarHBondContact N-OD2 3.07Å; I279-D283 HydrophobicContact CG2-CB 4.49Å; H280-D283 WeakPolarHBondContact O-CB 3.42Å; H280-D283 PolarHBondContact O-N 2.98Å
284	V	96.3	Very high	96.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	16%	0.157	C	C	.	.	S	Bend	trans	-141.6	119.6	173.3	-173.5	0	0	0	0	108.3	F230 I279 H280 P281 D288 L289 M292 L340	F230-V284 HydrophobicContact CD1-CG2 3.97Å; F230-V284 HydrophobicContact CE1-CG2 3.9Å; I279-V284 HydrophobicContact CG2-CB 3.82Å; I279-V284 HydrophobicContact CG2-CG2 3.77Å; H280-V284 PolarHBondContact O-N 3.35Å; H280-V284 VanDerWaalsContact O-N 3.16Å; P281-V284 WeakPolarHBondContact CA-O 3.19Å; P281-V284 CarbonylContact O-C 3.59Å; V284-D288 HydrophobicContact CG1-CB 4.27Å; V284-L289 HydrophobicContact CG1-CB 3.86Å; V284-M292 HydrophobicContact CG1-CE 3.44Å; V284-M292 VanDerWaalsContact CG1-CE 3.44Å; V284-L340 HydrophobicContact CG2-CD2 4.38Å
285	S	95.9	Very high	96.3	Very high	38 Å²	38	32.3 Å²	32.3	27%	0.266	17%	0.17	S	C	.	.			trans	-62.7	146.7	179.2	83.6	0	0	0	0	110.7	P281 L287 D288 L289	P281-S285 WeakPolarHBondContact O-CA 3.21Å; S285-L287 PolarHBondContact O-N 2.9Å; S285-L287 VanDerWaalsContact O-N 3.17Å; S285-D288 PolarHBondContact O-N 3.47Å; S285-D288 VanDerWaalsContact O-N 3.12Å; S285-D288 WeakPolarHBondContact OG-CB 3.39Å; S285-D288 PolarHBondContact OG-N 3.43Å; S285-D288 VanDerWaalsContact OG-N 3.14Å; S285-D288 PolarHBondContact OG-OD2 2.94Å; S285-L289 WeakPolarHBondContact O-CB 3.34Å; S285-L289 PolarHBondContact O-N 3Å
286	P	95.6	Very high	96.3	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-31.8	178	-31.1	39.8	0	0	0	113.8	L179 E276 P281 R290	L179-P286 HydrophobicContact CD1-CB 3.35Å; L179-P286 HydrophobicContact CD1-CG 3.5Å; L179-P286 VanDerWaalsContact CD1-CG 3.5Å; L179-P286 HydrophobicContact CG-CB 4.36Å; E276-P286 HydrophobicContact CG-CB 4.24Å; P281-P286 HydrophobicContact CB-CG 4.27Å; P286-R290 WeakPolarHBondContact O-CB 3.48Å; P286-R290 PolarHBondContact O-N 3.37Å
287	L	95.1	Very high	96.3	Very high	69 Å²	69	31.6 Å²	31.6	36%	0.361	17%	0.166	S	C	.	.	H	α-helix	trans	-65.8	-48.9	175.2	177.3	59.8	0	0	0	111.6	K177 S285 R290 S291	K177-L287 HydrophobicContact CG-CD2 4.28Å; S285-L287 PolarHBondContact O-N 2.9Å; S285-L287 VanDerWaalsContact O-N 3.17Å; L287-R290 PolarHBondContact O-N 2.97Å; L287-S291 WeakPolarHBondContact O-CB 3.35Å; L287-S291 PolarHBondContact O-N 3.04Å
288	D	96.5	Very high	96.2	Very high	65 Å²	65	30.8 Å²	30.8	35%	0.348	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-45.4	179.2	-64.7	-41.7	0	0	0	110.4	V284 S285 R290 S291 M292 H343	V284-D288 HydrophobicContact CG1-CB 4.27Å; S285-D288 PolarHBondContact O-N 3.47Å; S285-D288 VanDerWaalsContact O-N 3.12Å; S285-D288 WeakPolarHBondContact OG-CB 3.39Å; S285-D288 PolarHBondContact OG-N 3.43Å; S285-D288 VanDerWaalsContact OG-N 3.14Å; S285-D288 PolarHBondContact OG-OD2 2.94Å; D288-R290 VanDerWaalsContact C-N 3.33Å; D288-R290 PolarHBondContact O-N 3.36Å; D288-S291 WeakPolarHBondContact O-CB 3.34Å; D288-S291 PolarHBondContact O-N 3.35Å; D288-M292 HydrophobicContact CB-CE 4.27Å; D288-M292 WeakPolarHBondContact O-CB 3.49Å; D288-M292 VanDerWaalsContact O-CG 3.27Å; D288-M292 WeakPolarHBondContact O-CG 3.44Å; D288-M292 PolarHBondContact O-N 3.42Å; D288-H343 IonicContact OD2-CE1 3.84Å; D288-H343 PolarHBondContact OD2-CE1 3.34Å
289	L	97.8	Very high	96	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-47.1	176.5	-178.6	57.9	0	0	0	111.4	L275 E276 I279 V284 S285 S291 M292 V293 L340	L275-L289 HydrophobicContact CB-CD1 4.25Å; L275-L289 HydrophobicContact CB-CD2 3.85Å; L275-L289 HydrophobicContact CB-CG 4.44Å; L275-L289 HydrophobicContact CD1-CD1 4.34Å; E276-L289 HydrophobicContact CB-CD2 4.49Å; E276-L289 HydrophobicContact CG-CD2 3.92Å; I279-L289 HydrophobicContact CD1-CD1 4.02Å; I279-L289 HydrophobicContact CD1-CD2 4.3Å; V284-L289 HydrophobicContact CG1-CB 3.86Å; S285-L289 WeakPolarHBondContact O-CB 3.34Å; S285-L289 PolarHBondContact O-N 3Å; L289-S291 PolarHBondContact O-N 2.92Å; L289-M292 PolarHBondContact O-N 2.73Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 HydrophobicContact CG-CG2 4.46Å; L289-V293 WeakPolarHBondContact O-CB 3.48Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 2.89Å; L289-L340 HydrophobicContact CD1-CD2 4.14Å
290	R	96.4	Very high	95.8	Very high	41 Å²	41	38 Å²	38	16%	0.155	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-46.8	176.5	177.4	167.6	-177.6	62	5.2	112	E176 P286 L287 D288 M292 V293 F294	E176-R290 IonicContact OE1-CZ 3.47Å; E176-R290 IonicContact OE1-NE 3.36Å; E176-R290 WeakPolarHBondContact OE2-CD 3.37Å; E176-R290 IonicContact OE2-CZ 3.68Å; E176-R290 IonicContact OE2-NE 2.72Å; E176-R290 PolarHBondContact OE2-NE 2.94Å; E176-R290 IonicContact OE2-NH2 2.72Å; E176-R290 PolarHBondContact OE2-NH2 2.84Å; P286-R290 WeakPolarHBondContact O-CB 3.48Å; P286-R290 PolarHBondContact O-N 3.37Å; L287-R290 PolarHBondContact O-N 2.97Å; D288-R290 VanDerWaalsContact C-N 3.33Å; D288-R290 PolarHBondContact O-N 3.36Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.48Å; R290-V293 PolarHBondContact O-N 2.7Å; R290-F294 HydrophobicContact CG-CD2 4.07Å; R290-F294 HydrophobicContact CG-CE2 4.28Å; R290-F294 VanDerWaalsContact NH1-CZ 3.25Å; R290-F294 VanDerWaalsContact O-CD2 3.32Å; R290-F294 WeakPolarHBondContact O-CD2 3.47Å; R290-F294 PolarHBondContact O-N 2.64Å
291	S	96	Very high	95.8	Very high	75 Å²	75	38.3 Å²	38.3	52%	0.524	21%	0.211	S	C	.	.	H	α-helix	trans	-57.7	-47.6	177.3	-176.8	0	0	0	0	111.4	L287 D288 L289 V293 F294 K295	L287-S291 WeakPolarHBondContact O-CB 3.35Å; L287-S291 PolarHBondContact O-N 3.04Å; D288-S291 WeakPolarHBondContact O-CB 3.34Å; D288-S291 PolarHBondContact O-N 3.35Å; L289-S291 PolarHBondContact O-N 2.92Å; S291-V293 PolarHBondContact O-N 3.06Å; S291-F294 PolarHBondContact O-N 3.01Å; S291-K295 WeakPolarHBondContact O-CB 3.21Å; S291-K295 PolarHBondContact O-N 2.89Å
292	M	97.6	Very high	95.7	Very high	14 Å²	14	41 Å²	41	7%	0.069	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-42.5	178.1	-68.3	-170.6	-78.5	0	0	112.4	V284 D288 L289 R290 K295 A296 L336 Q339 L340 H343	V284-M292 HydrophobicContact CG1-CE 3.44Å; V284-M292 VanDerWaalsContact CG1-CE 3.44Å; D288-M292 HydrophobicContact CB-CE 4.27Å; D288-M292 WeakPolarHBondContact O-CB 3.49Å; D288-M292 VanDerWaalsContact O-CG 3.27Å; D288-M292 WeakPolarHBondContact O-CG 3.44Å; D288-M292 PolarHBondContact O-N 3.42Å; L289-M292 PolarHBondContact O-N 2.73Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.48Å; M292-K295 PolarHBondContact O-N 3.28Å; M292-A296 VanDerWaalsContact O-CB 3.26Å; M292-A296 WeakPolarHBondContact O-CB 3.42Å; M292-A296 PolarHBondContact O-N 2.86Å; M292-L336 HydrophobicContact CB-CD1 3.92Å; M292-Q339 HydrophobicContact CB-CB 3.81Å; M292-Q339 HydrophobicContact CB-CG 4.39Å; M292-Q339 HydrophobicContact CG-CB 3.62Å; M292-Q339 HydrophobicContact CG-CG 4.47Å; M292-Q339 HydrophobicContact SD-CB 3.6Å; M292-Q339 VanDerWaalsContact SD-CB 3.6Å; M292-L340 HydrophobicContact CE-CD2 3.71Å; M292-L340 HydrophobicContact SD-CD2 4.24Å; M292-H343 HydrophobicContact CE-CB 4.27Å; M292-H343 HydrophobicContact SD-CB 4.05Å
293	V	98.1	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-47.1	177.7	163.9	0	0	0	0	111.7	P268 A271 L275 L289 R290 S291 K295 A296 Y297 L336	P268-V293 HydrophobicContact CB-CG1 4.11Å; P268-V293 VanDerWaalsContact O-CG1 3.23Å; P268-V293 WeakPolarHBondContact O-CG1 3.41Å; A271-V293 HydrophobicContact CB-CG1 3.61Å; A271-V293 HydrophobicContact CB-CG2 4.48Å; L275-V293 HydrophobicContact CD1-CG2 3.87Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 HydrophobicContact CG-CG2 4.46Å; L289-V293 WeakPolarHBondContact O-CB 3.48Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 2.89Å; R290-V293 PolarHBondContact O-N 2.7Å; S291-V293 PolarHBondContact O-N 3.06Å; V293-K295 VanDerWaalsContact C-N 3.31Å; V293-K295 PolarHBondContact O-N 2.79Å; V293-A296 PolarHBondContact O-N 3.39Å; V293-Y297 HydrophobicContact CG1-CD2 3.98Å; V293-Y297 HydrophobicContact CG1-CE2 4.35Å; V293-Y297 WeakPolarHBondContact O-CD2 3.41Å; V293-Y297 PolarHBondContact O-N 3.21Å; V293-L336 HydrophobicContact CG2-CD1 4.14Å; V293-L336 HydrophobicContact CG2-CD2 4.14Å
294	F	96.5	Very high	95.7	Very high	81 Å²	81	44.8 Å²	44.8	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-31	-179.9	-86.1	-108.1	0	0	0	112.3	P268 E269 R290 S291	P268-F294 HydrophobicContact CB-CD1 4.29Å; P268-F294 HydrophobicContact CB-CD2 3.91Å; P268-F294 HydrophobicContact CB-CE1 4.07Å; P268-F294 HydrophobicContact CB-CE2 3.59Å; P268-F294 HydrophobicContact CB-CG 4.23Å; P268-F294 HydrophobicContact CB-CZ 3.72Å; E269-F294 HydrophobicContact CG-CZ 3.95Å; R290-F294 HydrophobicContact CG-CD2 4.07Å; R290-F294 HydrophobicContact CG-CE2 4.28Å; R290-F294 VanDerWaalsContact NH1-CZ 3.25Å; R290-F294 VanDerWaalsContact O-CD2 3.32Å; R290-F294 WeakPolarHBondContact O-CD2 3.47Å; R290-F294 PolarHBondContact O-N 2.64Å; S291-F294 PolarHBondContact O-N 3.01Å
295	K	95.6	Very high	95.7	Very high	70 Å²	70	49.4 Å²	49.4	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-70.9	-34.5	171.5	-174.7	176	174.9	-170.6	0	112.5	S291 M292 V293 S373	S291-K295 WeakPolarHBondContact O-CB 3.21Å; S291-K295 PolarHBondContact O-N 2.89Å; M292-K295 PolarHBondContact O-N 3.28Å; V293-K295 VanDerWaalsContact C-N 3.31Å; V293-K295 PolarHBondContact O-N 2.79Å; K295-S373 PolarHBondContact NZ-OG 3.41Å
296	A	96.9	Very high	95.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-74.3	-42	-179	0	0	0	0	0	112.7	M292 V293 N300 F301 Q335 L336	M292-A296 VanDerWaalsContact O-CB 3.26Å; M292-A296 WeakPolarHBondContact O-CB 3.42Å; M292-A296 PolarHBondContact O-N 2.86Å; V293-A296 PolarHBondContact O-N 3.39Å; A296-N300 PolarHBondContact O-ND2 3.18Å; A296-N300 PolarHBondContact O-OD1 3.13Å; A296-F301 VanDerWaalsContact O-CE2 3.28Å; A296-F301 WeakPolarHBondContact O-CE2 3.43Å; A296-Q335 HydrophobicContact CB-CB 4.15Å; A296-Q335 WeakPolarHBondContact CB-O 3.4Å; A296-Q335 WeakPolarHBondContact O-CB 3.28Å; A296-L336 HydrophobicContact CB-CB 3.8Å; A296-L336 HydrophobicContact CB-CD1 4.07Å
297	Y	97.4	Very high	95.9	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.024	26%	0.255	C	S	.	.	S	Bend	trans	-114.4	51	-173.3	-51.5	-56.4	0	0	0	112	Y267 P268 A271 V293 F301 V306 L332 L336	Y267-Y297 HydrophobicContact CD1-CD2 4.1Å; Y267-Y297 HydrophobicContact CD1-CG 4.06Å; Y267-Y297 HydrophobicContact CE1-CD1 4.01Å; Y267-Y297 AromaticContact CE1-CD2 3.82Å; Y267-Y297 HydrophobicContact CE1-CD2 3.82Å; Y267-Y297 HydrophobicContact CE1-CE1 4.12Å; Y267-Y297 AromaticContact CE1-CE2 3.92Å; Y267-Y297 HydrophobicContact CE1-CE2 3.92Å; Y267-Y297 AromaticContact CE1-CG 3.87Å; Y267-Y297 HydrophobicContact CE1-CG 3.87Å; P268-Y297 WeakPolarHBondContact CG-O 3.48Å; A271-Y297 HydrophobicContact CB-CD2 4.31Å; A271-Y297 HydrophobicContact CB-CE2 4.1Å; V293-Y297 HydrophobicContact CG1-CD2 3.98Å; V293-Y297 HydrophobicContact CG1-CE2 4.35Å; V293-Y297 WeakPolarHBondContact O-CD2 3.41Å; V293-Y297 PolarHBondContact O-N 3.21Å; Y297-F301 AromaticContact CD1-CE2 3.84Å; Y297-F301 HydrophobicContact CD1-CE2 3.84Å; Y297-F301 AromaticContact CD1-CZ 3.99Å; Y297-F301 HydrophobicContact CD1-CZ 3.99Å; Y297-F301 HydrophobicContact CE1-CZ 4.42Å; Y297-V306 HydrophobicContact CD1-CG1 3.98Å; Y297-V306 HydrophobicContact CG-CG1 4.39Å; Y297-L332 HydrophobicContact CE1-CD1 4.28Å; Y297-L332 VanDerWaalsContact CE1-O 3.22Å; Y297-L332 WeakPolarHBondContact CE1-O 3.4Å; Y297-L332 PolarHBondContact OH-O 3.01Å; Y297-L336 HydrophobicContact CE2-CD2 4.15Å
298	G	94	Very high	96	Very high	31 Å²	31	44.4 Å²	44.4	32%	0.32	24%	0.24	S	C	.	.	S	Bend	trans	-109.6	-136.5	-178.6	0	0	0	0	0	112.4	N300 F301	G298-N300 PolarHBondContact N-OD1 3.16Å; G298-N300 VanDerWaalsContact N-OD1 3.08Å; G298-N300 PolarHBondContact O-N 3.1Å; G298-N300 VanDerWaalsContact O-N 3.08Å; G298-N300 PolarHBondContact O-OD1 3Å; G298-F301 PolarHBondContact O-N 3.33Å; G298-F301 VanDerWaalsContact O-N 3.16Å
299	D	92.1	Very high	96.1	Very high	150 Å²	150	41.7 Å²	41.7	80%	0.802	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.4	-177.8	67.1	-9.2	0	0	0	115.4	F301 R371	D299-F301 VanDerWaalsContact C-N 3.26Å; D299-R371 IonicContact OD1-NH2 3.71Å
300	N	92.9	Very high	96.1	Very high	16 Å²	16	44.5 Å²	44.5	9%	0.086	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12	176.1	60.1	-43.9	0	0	0	113.7	A296 G298 Q335	A296-N300 PolarHBondContact O-ND2 3.18Å; A296-N300 PolarHBondContact O-OD1 3.13Å; G298-N300 PolarHBondContact N-OD1 3.16Å; G298-N300 VanDerWaalsContact N-OD1 3.08Å; G298-N300 PolarHBondContact O-N 3.1Å; G298-N300 VanDerWaalsContact O-N 3.08Å; G298-N300 PolarHBondContact O-OD1 3Å; N300-Q335 PolarHBondContact ND2-OE1 2.98Å
301	F	96.1	Very high	96.1	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	25%	0.254	C	S	.	.	S	Bend	trans	-95.7	132.1	170.1	-78.2	-102.5	0	0	0	109.6	A296 Y297 G298 D299 S303 V306 H323 D331 L332 Q335	A296-F301 VanDerWaalsContact O-CE2 3.28Å; A296-F301 WeakPolarHBondContact O-CE2 3.43Å; Y297-F301 AromaticContact CD1-CE2 3.84Å; Y297-F301 HydrophobicContact CD1-CE2 3.84Å; Y297-F301 AromaticContact CD1-CZ 3.99Å; Y297-F301 HydrophobicContact CD1-CZ 3.99Å; Y297-F301 HydrophobicContact CE1-CZ 4.42Å; G298-F301 PolarHBondContact O-N 3.33Å; G298-F301 VanDerWaalsContact O-N 3.16Å; D299-F301 VanDerWaalsContact C-N 3.26Å; F301-S303 PolarHBondContact O-N 2.98Å; F301-S303 VanDerWaalsContact O-N 3.16Å; F301-V306 HydrophobicContact CD1-CB 4.39Å; F301-V306 HydrophobicContact CD1-CG1 3.58Å; F301-V306 HydrophobicContact CD2-CG1 4.39Å; F301-V306 HydrophobicContact CE1-CG1 3.68Å; F301-V306 HydrophobicContact CE2-CG1 4.49Å; F301-V306 HydrophobicContact CG-CG1 3.96Å; F301-V306 HydrophobicContact CZ-CG1 4.16Å; F301-H323 CarbonylContact C-O 3.54Å; F301-H323 WeakPolarHBondContact CA-O 3.39Å; F301-H323 HydrophobicContact CD1-CB 4.37Å; F301-D331 HydrophobicContact CZ-CB 4.21Å; F301-L332 HydrophobicContact CE1-CD1 3.75Å; F301-L332 HydrophobicContact CE1-CD2 3.96Å; F301-L332 HydrophobicContact CE1-CG 4.48Å; F301-L332 HydrophobicContact CZ-CD1 4.03Å; F301-L332 HydrophobicContact CZ-CD2 4.46Å; F301-Q335 HydrophobicContact CE2-CB 4.43Å; F301-Q335 HydrophobicContact CE2-CG 4.07Å; F301-Q335 HydrophobicContact CZ-CG 4.36Å
302	S	94.3	Very high	96.2	Very high	73 Å²	73	44.6 Å²	44.6	51%	0.51	23%	0.232	S	C	.	.	S	Bend	trans	-70.4	-5	178.6	56	0	0	0	0	114.2	H323	S302-H323 PolarHBondContact N-O 3.13Å; S302-H323 WeakPolarHBondContact OG-CA 3.42Å; S302-H323 WeakPolarHBondContact OG-CB 3.24Å; S302-H323 PolarHBondContact OG-ND1 2.89Å; S302-H323 PolarHBondContact OG-O 3.37Å
303	S	94.9	Very high	96.1	Very high	24 Å²	24	44.6 Å²	44.6	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-130.6	128.7	179.1	176	0	0	0	0	109.5	F301 R305 V306	F301-S303 PolarHBondContact O-N 2.98Å; F301-S303 VanDerWaalsContact O-N 3.16Å; S303-R305 PolarHBondContact O-N 3.2Å; S303-R305 PolarHBondContact OG-N 2.6Å; S303-V306 WeakPolarHBondContact O-CA 3.25Å; S303-V306 PolarHBondContact O-N 3.22Å
304	D	93.8	Very high	95.8	Very high	164 Å²	164	53 Å²	53	88%	0.877	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	175.9	-61.8	-27.1	0	0	0	112.5
305	R	95.3	Very high	95.7	Very high	100 Å²	100	51.8 Å²	51.8	38%	0.377	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.4	172.6	-70.7	-170.8	172.6	-161.7	-5.9	112.6	S303 A307 P308 D472	S303-R305 PolarHBondContact O-N 3.2Å; S303-R305 PolarHBondContact OG-N 2.6Å; R305-A307 PolarHBondContact O-N 3.44Å; R305-P308 HydrophobicContact CB-CB 4Å; R305-D472 IonicContact CZ-OD2 3.73Å; R305-D472 IonicContact NH1-OD1 2.99Å; R305-D472 IonicContact NH1-OD2 3.79Å; R305-D472 PolarHBondContact NH1-OD2 2.81Å; R305-D472 IonicContact NH2-OD1 2.77Å; R305-D472 IonicContact NH2-OD2 2.73Å
306	V	98.2	Very high	95.8	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	25%	0.252	C	S	.	.	S	Bend	trans	63.7	-52.4	-179	-175.9	0	0	0	0	113.8	Y267 Y297 F301 S303 L332	Y267-V306 HydrophobicContact CD1-CB 3.88Å; Y267-V306 HydrophobicContact CD1-CG1 3.81Å; Y267-V306 HydrophobicContact CD1-CG2 4.02Å; Y267-V306 HydrophobicContact CD2-CB 4.04Å; Y267-V306 HydrophobicContact CD2-CG1 4.37Å; Y267-V306 HydrophobicContact CE1-CB 4.43Å; Y267-V306 HydrophobicContact CE1-CG1 3.91Å; Y267-V306 HydrophobicContact CE2-CG1 4.43Å; Y267-V306 HydrophobicContact CG-CB 3.69Å; Y267-V306 HydrophobicContact CG-CG1 4.09Å; Y267-V306 HydrophobicContact CG-CG2 4Å; Y297-V306 HydrophobicContact CD1-CG1 3.98Å; Y297-V306 HydrophobicContact CG-CG1 4.39Å; F301-V306 HydrophobicContact CD1-CB 4.39Å; F301-V306 HydrophobicContact CD1-CG1 3.58Å; F301-V306 HydrophobicContact CD2-CG1 4.39Å; F301-V306 HydrophobicContact CE1-CG1 3.68Å; F301-V306 HydrophobicContact CE2-CG1 4.49Å; F301-V306 HydrophobicContact CG-CG1 3.96Å; F301-V306 HydrophobicContact CZ-CG1 4.16Å; S303-V306 WeakPolarHBondContact O-CA 3.25Å; S303-V306 PolarHBondContact O-N 3.22Å; V306-L332 HydrophobicContact CG1-CD1 3.64Å
307	A	98.1	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-134.5	68.9	177.5	0	0	0	0	0	110.5	Y267 R305 E320 L321 L332	Y267-A307 HydrophobicContact CD2-CB 4.43Å; Y267-A307 HydrophobicContact CE2-CB 4.02Å; R305-A307 PolarHBondContact O-N 3.44Å; A307-E320 WeakPolarHBondContact CA-O 3.48Å; A307-L321 HydrophobicContact CB-CD2 3.84Å; A307-L332 HydrophobicContact CB-CD1 4.43Å
308	P	97.6	Very high	95.9	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.052	26%	0.256	C	S	.	.			trans	-63.7	147.7	-176.5	26.7	-32.5	0	0	0	112.2	R305 E320	R305-P308 HydrophobicContact CB-CB 4Å; P308-E320 HydrophobicContact CG-CB 4.12Å; P308-E320 PolarHBondContact O-N 3.43Å
309	V	98.2	Very high	96.2	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.6	168.8	62	0	0	0	0	109.6	I318 D468 L469	V309-I318 CarbonylContact C-O 3.58Å; V309-I318 WeakPolarHBondContact CA-O 3.36Å; V309-D468 HydrophobicContact CG1-CB 3.57Å; V309-L469 HydrophobicContact CG1-CD2 4.03Å; V309-L469 HydrophobicContact CG1-CG 4.17Å; V309-L469 HydrophobicContact CG2-CD2 3.85Å; V309-L469 HydrophobicContact CG2-CG 4.26Å
310	K	97.4	Very high	96.5	Very high	61 Å²	61	41 Å²	41	27%	0.265	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152	-179.9	-64.6	-179.4	-179.3	171.1	0	111	Y317 I318 E320 E680	K310-Y317 CarbonylContact O-C 3.49Å; K310-Y317 WeakPolarHBondContact O-CA 3.34Å; K310-Y317 WeakPolarHBondContact O-CB 3.39Å; K310-I318 HydrophobicContact CB-CG2 3.97Å; K310-I318 PolarHBondContact N-O 3.35Å; K310-I318 PolarHBondContact O-N 3.05Å; K310-E320 WeakPolarHBondContact CE-OE1 3.26Å; K310-E320 WeakPolarHBondContact CE-OE2 3.48Å; K310-E320 IonicContact NZ-OE1 3.58Å; K310-E320 PolarHBondContact NZ-OE1 3.39Å; K310-E320 IonicContact NZ-OE2 3.74Å; K310-E320 PolarHBondContact NZ-OE2 3.08Å; K310-E320 VanDerWaalsContact NZ-OE2 3.11Å; K310-E680 IonicContact NZ-OE2 3.96Å; K310-E680 PolarHBondContact NZ-OE2 3.48Å
311	H	97.9	Very high	96.8	Very high	108 Å²	108	40.3 Å²	40.3	50%	0.5	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.3	166.4	-179.1	-103.7	0	0	0	109.3	K314 Y317	H311-K314 PolarHBondContact NE2-O 3.31Å; H311-Y317 HydrophobicContact CB-CD1 4.21Å; H311-Y317 HydrophobicContact CB-CE1 3.93Å; H311-Y317 AromaticContact CD2-CE1 3.87Å; H311-Y317 AromaticContact CD2-CZ 3.8Å
312	L	96.6	Very high	96.8	Very high	11 Å²	11	40 Å²	40	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-69.9	179.4	-170.2	65.1	0	0	0	110.5	Q316 I318 L610 Y616 K626 L641	L312-Q316 HydrophobicContact CB-CB 4.48Å; L312-Q316 WeakPolarHBondContact CB-O 3.45Å; L312-Q316 PolarHBondContact N-O 3.29Å; L312-I318 HydrophobicContact CB-CB 4.41Å; L312-I318 HydrophobicContact CB-CG2 4.39Å; L312-I318 HydrophobicContact CD1-CB 4.35Å; L312-I318 HydrophobicContact CD1-CD1 4.37Å; L312-I318 HydrophobicContact CD1-CG2 4.08Å; L312-I318 HydrophobicContact CD2-CB 4.47Å; L312-L610 HydrophobicContact CD1-CD1 4.41Å; L312-L610 HydrophobicContact CD1-CD2 3.87Å; L312-L610 HydrophobicContact CD2-CD2 4.14Å; L312-L610 HydrophobicContact CG-CD1 4.24Å; L312-L610 HydrophobicContact CG-CD2 4.25Å; L312-Y616 HydrophobicContact CD1-CD1 4.01Å; L312-Y616 HydrophobicContact CD1-CD2 4.35Å; L312-Y616 HydrophobicContact CD1-CE1 4.43Å; L312-Y616 HydrophobicContact CD1-CG 3.98Å; L312-K626 HydrophobicContact CD2-CD 4.12Å; L312-L641 HydrophobicContact CD2-CD1 3.71Å
313	V	95.6	Very high	97	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	145.5	178.3	-72.8	0	0	0	0	109.3	N315 Q316 L610 T614	V313-N315 PolarHBondContact O-N 3.13Å; V313-Q316 HydrophobicContact CG2-CB 4.44Å; V313-Q316 PolarHBondContact N-O 3.1Å; V313-Q316 WeakPolarHBondContact O-CA 3.45Å; V313-Q316 VanDerWaalsContact O-CB 3.29Å; V313-Q316 WeakPolarHBondContact O-CB 3.38Å; V313-Q316 PolarHBondContact O-N 2.8Å; V313-L610 HydrophobicContact CG1-CD1 3.84Å; V313-L610 HydrophobicContact CG2-CD1 4.38Å; V313-T614 HydrophobicContact CG1-CG2 3.45Å; V313-T614 VanDerWaalsContact CG1-CG2 3.45Å
314	K	92.5	Very high	97.1	Very high	178 Å²	178	36.6 Å²	36.6	77%	0.774	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	-124.8	177.3	-58.5	176.3	179.5	173.7	0	111.3	H311 Q316	H311-K314 PolarHBondContact NE2-O 3.31Å; K314-Q316 VanDerWaalsContact C-N 3.35Å
315	N	94.4	Very high	97.1	Very high	54 Å²	54	29 Å²	29	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	22.5	176.4	-154.4	18.5	0	0	0	112.8	V313 C637 P638 T639	V313-N315 PolarHBondContact O-N 3.13Å; N315-C637 PolarHBondContact ND2-O 3.12Å; N315-C637 VanDerWaalsContact ND2-O 3.17Å; N315-P638 WeakPolarHBondContact O-CA 3.49Å; N315-T639 PolarHBondContact O-N 2.87Å
316	Q	97.9	Very high	97.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.1	178	-63.4	-179.1	-25.5	0	0	110.8	L312 V313 K314 K626 D630 Q633 T639	L312-Q316 HydrophobicContact CB-CB 4.48Å; L312-Q316 WeakPolarHBondContact CB-O 3.45Å; L312-Q316 PolarHBondContact N-O 3.29Å; V313-Q316 HydrophobicContact CG2-CB 4.44Å; V313-Q316 PolarHBondContact N-O 3.1Å; V313-Q316 WeakPolarHBondContact O-CA 3.45Å; V313-Q316 VanDerWaalsContact O-CB 3.29Å; V313-Q316 WeakPolarHBondContact O-CB 3.38Å; V313-Q316 PolarHBondContact O-N 2.8Å; K314-Q316 VanDerWaalsContact C-N 3.35Å; Q316-K626 VanDerWaalsContact OE1-NZ 3.14Å; Q316-D630 PolarHBondContact NE2-OD1 3.37Å; Q316-D630 PolarHBondContact OE1-OD1 2.74Å; Q316-Q633 VanDerWaalsContact NE2-CD 3.35Å; Q316-Q633 VanDerWaalsContact NE2-NE2 3.1Å; Q316-Q633 VanDerWaalsContact NE2-OE1 3.12Å; Q316-T639 WeakPolarHBondContact CA-O 3.3Å
317	Y	98.6	Very high	97	Very high	30 Å²	30	24.1 Å²	24.1	12%	0.118	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.5	176.3	-66.1	-96.5	0	0	0	108.8	K310 H311 L469 V474 P638 T639 V640 L641	K310-Y317 CarbonylContact O-C 3.49Å; K310-Y317 WeakPolarHBondContact O-CA 3.34Å; K310-Y317 WeakPolarHBondContact O-CB 3.39Å; H311-Y317 HydrophobicContact CB-CD1 4.21Å; H311-Y317 HydrophobicContact CB-CE1 3.93Å; H311-Y317 AromaticContact CD2-CE1 3.87Å; H311-Y317 AromaticContact CD2-CZ 3.8Å; Y317-L469 HydrophobicContact CD1-CD2 3.64Å; Y317-L469 HydrophobicContact CE1-CD2 3.97Å; Y317-L469 HydrophobicContact CG-CD2 4.02Å; Y317-V474 HydrophobicContact CE1-CG1 3.87Å; Y317-V474 HydrophobicContact CE1-CG2 3.91Å; Y317-V474 HydrophobicContact CE2-CG1 3.85Å; Y317-V474 WeakPolarHBondContact OH-CG1 3.4Å; Y317-P638 HydrophobicContact CD2-CB 4.01Å; Y317-P638 HydrophobicContact CE2-CB 3.97Å; Y317-T639 PolarHBondContact N-O 3.48Å; Y317-V640 CarbonylContact O-C 3.46Å; Y317-V640 WeakPolarHBondContact O-CA 3.47Å; Y317-L641 PolarHBondContact O-N 3.24Å
318	I	98.6	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.5	177.6	-171.9	154.6	0	0	0	109.3	V309 K310 L312 Y616 T622 L641	V309-I318 CarbonylContact C-O 3.58Å; V309-I318 WeakPolarHBondContact CA-O 3.36Å; K310-I318 HydrophobicContact CB-CG2 3.97Å; K310-I318 PolarHBondContact N-O 3.35Å; K310-I318 PolarHBondContact O-N 3.05Å; L312-I318 HydrophobicContact CB-CB 4.41Å; L312-I318 HydrophobicContact CB-CG2 4.39Å; L312-I318 HydrophobicContact CD1-CB 4.35Å; L312-I318 HydrophobicContact CD1-CD1 4.37Å; L312-I318 HydrophobicContact CD1-CG2 4.08Å; L312-I318 HydrophobicContact CD2-CB 4.47Å; I318-Y616 HydrophobicContact CD1-CD1 4.49Å; I318-Y616 HydrophobicContact CD1-CE1 3.52Å; I318-Y616 VanDerWaalsContact CD1-OH 3.31Å; I318-Y616 WeakPolarHBondContact CD1-OH 3.4Å; I318-Y616 HydrophobicContact CG2-CE2 4.26Å; I318-T622 HydrophobicContact CD1-CG2 3.63Å; I318-L641 WeakPolarHBondContact CA-O 3.4Å
319	Q	98.8	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.2	172	-174.4	-179.9	25	0	0	108.8	L321 Y461 V640 L641 S643	Q319-L321 HydrophobicContact CG-CD2 3.78Å; Q319-L321 HydrophobicContact CG-CG 4.13Å; Q319-L321 PolarHBondContact O-N 3.39Å; Q319-Y461 PolarHBondContact NE2-O 3.22Å; Q319-V640 HydrophobicContact CB-CG1 3.82Å; Q319-L641 PolarHBondContact N-O 3.08Å; Q319-S643 WeakPolarHBondContact O-CB 3.42Å; Q319-S643 PolarHBondContact O-N 2.83Å
320	E	98.7	Very high	96.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	105.6	179.7	-61.9	176.7	151	0	0	109.4	A307 P308 K310 F322 H323 Y616	A307-E320 WeakPolarHBondContact CA-O 3.48Å; P308-E320 HydrophobicContact CG-CB 4.12Å; P308-E320 PolarHBondContact O-N 3.43Å; K310-E320 WeakPolarHBondContact CE-OE1 3.26Å; K310-E320 WeakPolarHBondContact CE-OE2 3.48Å; K310-E320 IonicContact NZ-OE1 3.58Å; K310-E320 PolarHBondContact NZ-OE1 3.39Å; K310-E320 IonicContact NZ-OE2 3.74Å; K310-E320 PolarHBondContact NZ-OE2 3.08Å; K310-E320 VanDerWaalsContact NZ-OE2 3.11Å; E320-F322 HydrophobicContact CB-CD1 4.43Å; E320-F322 HydrophobicContact CB-CE1 3.74Å; E320-F322 HydrophobicContact CB-CE2 4.22Å; E320-F322 HydrophobicContact CB-CZ 3.61Å; E320-F322 HydrophobicContact CG-CE1 3.86Å; E320-F322 HydrophobicContact CG-CE2 4.48Å; E320-F322 HydrophobicContact CG-CZ 3.56Å; E320-H323 IonicContact OE2-CE1 3Å; E320-H323 IonicContact OE2-NE2 3.89Å; E320-H323 PolarHBondContact OE2-NE2 3.33Å; E320-H323 VanDerWaalsContact OE2-NE2 3.12Å; E320-Y616 PolarHBondContact OE1-OH 2.99Å
321	L	98.6	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.			trans	-101	10.6	-178.4	-59.6	173.1	0	0	0	112.8	A307 Q319 S328 F329 L332 Y461 C642 S643	A307-L321 HydrophobicContact CB-CD2 3.84Å; Q319-L321 HydrophobicContact CG-CD2 3.78Å; Q319-L321 HydrophobicContact CG-CG 4.13Å; Q319-L321 PolarHBondContact O-N 3.39Å; L321-S328 CarbonylContact O-C 3.54Å; L321-F329 HydrophobicContact CB-CB 3.46Å; L321-F329 VanDerWaalsContact CB-CB 3.46Å; L321-F329 HydrophobicContact CD1-CB 3.9Å; L321-F329 HydrophobicContact CG-CB 4.31Å; L321-F329 WeakPolarHBondContact O-CA 3.38Å; L321-F329 PolarHBondContact O-N 3.26Å; L321-L332 HydrophobicContact CB-CD2 4.43Å; L321-L332 VanDerWaalsContact O-CD2 3.3Å; L321-L332 WeakPolarHBondContact O-CD2 3.44Å; L321-Y461 HydrophobicContact CD1-CD2 4.24Å; L321-Y461 HydrophobicContact CD1-CE2 3.93Å; L321-Y461 HydrophobicContact CD2-CD1 4.35Å; L321-Y461 HydrophobicContact CD2-CD2 3.79Å; L321-Y461 HydrophobicContact CD2-CE2 4.3Å; L321-Y461 HydrophobicContact CD2-CG 3.85Å; L321-C642 HydrophobicContact CD1-CB 4.07Å; L321-S643 WeakPolarHBondContact CB-O 3.45Å; L321-S643 PolarHBondContact N-O 3.44Å
322	F	97.8	Very high	96.7	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.013	8%	0.082	C	C	.	.			trans	-108	18	-170.5	53.8	-106.2	0	0	0	113.5	E320 G324 A327 S643 A645 H646 P681 H684	E320-F322 HydrophobicContact CB-CD1 4.43Å; E320-F322 HydrophobicContact CB-CE1 3.74Å; E320-F322 HydrophobicContact CB-CE2 4.22Å; E320-F322 HydrophobicContact CB-CZ 3.61Å; E320-F322 HydrophobicContact CG-CE1 3.86Å; E320-F322 HydrophobicContact CG-CE2 4.48Å; E320-F322 HydrophobicContact CG-CZ 3.56Å; F322-G324 VanDerWaalsContact C-N 3.3Å; F322-G324 PolarHBondContact O-N 3.46Å; F322-A327 WeakPolarHBondContact CB-O 3.43Å; F322-A327 VanDerWaalsContact O-CA 3.26Å; F322-A327 WeakPolarHBondContact O-CA 3.26Å; F322-S643 VanDerWaalsContact CE1-OG 3.26Å; F322-S643 WeakPolarHBondContact CE1-OG 3.43Å; F322-A645 VanDerWaalsContact CD1-O 3.31Å; F322-A645 WeakPolarHBondContact CD1-O 3.35Å; F322-H646 HydrophobicContact CB-CB 4.06Å; F322-H646 VanDerWaalsContact CB-N 3.33Å; F322-H646 HydrophobicContact CD2-CB 3.87Å; F322-H646 AromaticContact CD2-CD2 3.88Å; F322-H646 AromaticContact CE2-CD2 3.9Å; F322-H646 HydrophobicContact CG-CB 3.95Å; F322-P681 HydrophobicContact CE2-CB 4.01Å; F322-P681 HydrophobicContact CE2-CG 3.96Å; F322-P681 HydrophobicContact CZ-CB 3.97Å; F322-P681 HydrophobicContact CZ-CG 3.69Å; F322-H684 PolarHBondContact O-CD2 2.92Å; F322-H684 PolarHBondContact O-NE2 3.45Å; F322-H684 VanDerWaalsContact O-NE2 3.1Å
323	H	97.6	Very high	96.8	Very high	25 Å²	25	17.4 Å²	17.4	12%	0.116	8%	0.079	C	C	.	.			trans	-82.3	-5.4	-179.1	-74.3	-73.7	0	0	0	114.6	F301 S302 E320	F301-H323 CarbonylContact C-O 3.54Å; F301-H323 WeakPolarHBondContact CA-O 3.39Å; F301-H323 HydrophobicContact CD1-CB 4.37Å; S302-H323 PolarHBondContact N-O 3.13Å; S302-H323 WeakPolarHBondContact OG-CA 3.42Å; S302-H323 WeakPolarHBondContact OG-CB 3.24Å; S302-H323 PolarHBondContact OG-ND1 2.89Å; S302-H323 PolarHBondContact OG-O 3.37Å; E320-H323 IonicContact OE2-CE1 3Å; E320-H323 IonicContact OE2-NE2 3.89Å; E320-H323 PolarHBondContact OE2-NE2 3.33Å; E320-H323 VanDerWaalsContact OE2-NE2 3.12Å
324	G	96.9	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-73.4	175	176.6	0	0	0	0	0	113.7	F322 T326 A327 D331 H684	F322-G324 VanDerWaalsContact C-N 3.3Å; F322-G324 PolarHBondContact O-N 3.46Å; G324-T326 PolarHBondContact O-N 3.4Å; G324-A327 PolarHBondContact O-N 2.94Å; G324-A327 VanDerWaalsContact O-N 3.08Å; G324-D331 WeakPolarHBondContact CA-OD2 3.46Å; G324-H684 PolarHBondContact O-CE1 3.31Å; G324-H684 PolarHBondContact O-NE2 3.01Å
325	P	94.6	Very high	97	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.026	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.8	-169	24.9	-35.9	0	0	0	115.2	Q335 E686	P325-Q335 HydrophobicContact CG-CG 4.3Å; P325-E686 HydrophobicContact CB-CG 4.44Å
326	T	94.6	Very high	97.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	8.5	-178.9	77.3	0	0	0	0	113.4	G324 S328 D331 S363 A364 Q398 K649	G324-T326 PolarHBondContact O-N 3.4Å; T326-S328 VanDerWaalsContact C-N 3.29Å; T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 PolarHBondContact OG1-OG 3.23Å; T326-D331 WeakPolarHBondContact CA-OD2 3.39Å; T326-D331 WeakPolarHBondContact CB-OD1 3.44Å; T326-D331 WeakPolarHBondContact CG2-OD1 3.21Å; T326-D331 PolarHBondContact N-OD2 2.77Å; T326-D331 PolarHBondContact OG1-OD1 3.47Å; T326-D331 PolarHBondContact OG1-OD2 2.72Å; T326-S363 WeakPolarHBondContact CG2-O 3.45Å; T326-A364 HydrophobicContact CG2-CB 4.45Å; T326-Q398 PolarHBondContact O-NE2 2.83Å; T326-K649 WeakPolarHBondContact O-CE 3.27Å; T326-K649 PolarHBondContact O-NZ 3.29Å
327	A	96.4	Very high	97	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	59.2	34.9	177.9	0	0	0	0	0	114	F322 G324 D331 H646 K649 H684 M687	F322-A327 WeakPolarHBondContact CB-O 3.43Å; F322-A327 VanDerWaalsContact O-CA 3.26Å; F322-A327 WeakPolarHBondContact O-CA 3.26Å; G324-A327 PolarHBondContact O-N 2.94Å; G324-A327 VanDerWaalsContact O-N 3.08Å; A327-D331 PolarHBondContact N-OD2 2.88Å; A327-H646 HydrophobicContact CB-CB 3.83Å; A327-H646 PolarHBondContact O-N 3.48Å; A327-H646 VanDerWaalsContact O-N 3.1Å; A327-K649 HydrophobicContact CB-CD 4.08Å; A327-K649 HydrophobicContact CB-CG 4.23Å; A327-K649 VanDerWaalsContact O-CD 3.24Å; A327-K649 WeakPolarHBondContact O-CD 3.42Å; A327-H684 HydrophobicContact CB-CB 4.4Å; A327-M687 HydrophobicContact CB-CE 4.27Å; A327-M687 HydrophobicContact CB-SD 4.12Å
328	S	95.8	Very high	96.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-145.2	155.6	177.1	79.4	0	0	0	0	112.9	L321 T326 K330 D331 T644	L321-S328 CarbonylContact O-C 3.54Å; T326-S328 VanDerWaalsContact C-N 3.29Å; T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 PolarHBondContact OG1-OG 3.23Å; S328-K330 PolarHBondContact O-N 3.23Å; S328-D331 WeakPolarHBondContact O-CB 3.44Å; S328-D331 PolarHBondContact O-N 3.23Å; S328-T644 CarbonylContact C-O 3.54Å; S328-T644 WeakPolarHBondContact CA-O 3.31Å
329	F	97.2	Very high	96.7	Very high	36 Å²	36	5.1 Å²	5.1	16%	0.158	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.3	-179.7	87.9	-76.6	0	0	0	114.5	L321 D331 L332 N492 T644	L321-F329 HydrophobicContact CB-CB 3.46Å; L321-F329 VanDerWaalsContact CB-CB 3.46Å; L321-F329 HydrophobicContact CD1-CB 3.9Å; L321-F329 HydrophobicContact CG-CB 4.31Å; L321-F329 WeakPolarHBondContact O-CA 3.38Å; L321-F329 PolarHBondContact O-N 3.26Å; F329-D331 PolarHBondContact O-N 3.43Å; F329-L332 WeakPolarHBondContact O-CB 3.35Å; F329-L332 PolarHBondContact O-N 3.17Å; F329-L332 VanDerWaalsContact O-N 3.17Å; F329-N492 HydrophobicContact CE2-CB 4.18Å; F329-T644 HydrophobicContact CB-CG2 4.36Å; F329-T644 HydrophobicContact CD1-CG2 3.86Å; F329-T644 HydrophobicContact CE1-CG2 4.31Å; F329-T644 HydrophobicContact CG-CG2 4.06Å; F329-T644 PolarHBondContact N-O 3.09Å
330	K	95.5	Very high	96.6	Very high	19 Å²	19	5.3 Å²	5.3	8%	0.083	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24	179.8	-58.7	-178.9	-177.9	67.8	0	111.3	S328 L332 A333 L334 D360 T361 A364	S328-K330 PolarHBondContact O-N 3.23Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.07Å; K330-A333 PolarHBondContact O-N 2.87Å; K330-L334 HydrophobicContact CB-CD1 4.09Å; K330-L334 WeakPolarHBondContact O-CB 3.13Å; K330-L334 PolarHBondContact O-N 2.76Å; K330-D360 HydrophobicContact CD-CB 3.8Å; K330-D360 IonicContact NZ-OD2 2.72Å; K330-D360 PolarHBondContact NZ-OD2 3.38Å; K330-D360 VanDerWaalsContact NZ-OD2 3.14Å; K330-T361 WeakPolarHBondContact CD-OG1 3.44Å; K330-T361 VanDerWaalsContact CE-OG1 3.22Å; K330-T361 WeakPolarHBondContact CE-OG1 3.35Å; K330-A364 HydrophobicContact CB-CB 3.9Å
331	D	97.4	Very high	96.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.6	-35	175.7	-68.2	-30.3	0	0	0	112.2	F301 G324 T326 A327 S328 F329 A333 L334 Q335	F301-D331 HydrophobicContact CZ-CB 4.21Å; G324-D331 WeakPolarHBondContact CA-OD2 3.46Å; T326-D331 WeakPolarHBondContact CA-OD2 3.39Å; T326-D331 WeakPolarHBondContact CB-OD1 3.44Å; T326-D331 WeakPolarHBondContact CG2-OD1 3.21Å; T326-D331 PolarHBondContact N-OD2 2.77Å; T326-D331 PolarHBondContact OG1-OD1 3.47Å; T326-D331 PolarHBondContact OG1-OD2 2.72Å; A327-D331 PolarHBondContact N-OD2 2.88Å; S328-D331 WeakPolarHBondContact O-CB 3.44Å; S328-D331 PolarHBondContact O-N 3.23Å; F329-D331 PolarHBondContact O-N 3.43Å; D331-A333 PolarHBondContact O-N 3.06Å; D331-A333 VanDerWaalsContact O-N 3.15Å; D331-L334 PolarHBondContact O-N 2.96Å; D331-Q335 HydrophobicContact CB-CG 4.34Å; D331-Q335 WeakPolarHBondContact O-CB 3.42Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.12Å; D331-Q335 PolarHBondContact O-N 3.24Å
332	L	97.7	Very high	96.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.4	-29	-179	-75.5	-61.7	0	0	0	111.9	Y297 F301 V306 A307 L321 F329 K330 Y461	Y297-L332 HydrophobicContact CE1-CD1 4.28Å; Y297-L332 VanDerWaalsContact CE1-O 3.22Å; Y297-L332 WeakPolarHBondContact CE1-O 3.4Å; Y297-L332 PolarHBondContact OH-O 3.01Å; F301-L332 HydrophobicContact CE1-CD1 3.75Å; F301-L332 HydrophobicContact CE1-CD2 3.96Å; F301-L332 HydrophobicContact CE1-CG 4.48Å; F301-L332 HydrophobicContact CZ-CD1 4.03Å; F301-L332 HydrophobicContact CZ-CD2 4.46Å; V306-L332 HydrophobicContact CG1-CD1 3.64Å; A307-L332 HydrophobicContact CB-CD1 4.43Å; L321-L332 HydrophobicContact CB-CD2 4.43Å; L321-L332 VanDerWaalsContact O-CD2 3.3Å; L321-L332 WeakPolarHBondContact O-CD2 3.44Å; F329-L332 WeakPolarHBondContact O-CB 3.35Å; F329-L332 PolarHBondContact O-N 3.17Å; F329-L332 VanDerWaalsContact O-N 3.17Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.07Å; L332-Y461 HydrophobicContact CB-CD1 3.91Å; L332-Y461 HydrophobicContact CB-CE1 4.22Å; L332-Y461 HydrophobicContact CG-CD1 4.02Å
333	A	96.8	Very high	95.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-95.4	-44.6	173.7	0	0	0	0	0	112.1	K330 D331 Q335 L336 M337 R454 P457 Q458	K330-A333 PolarHBondContact O-N 2.87Å; D331-A333 PolarHBondContact O-N 3.06Å; D331-A333 VanDerWaalsContact O-N 3.15Å; A333-Q335 VanDerWaalsContact C-N 3.3Å; A333-Q335 PolarHBondContact O-N 3.31Å; A333-L336 PolarHBondContact O-N 2.72Å; A333-L336 VanDerWaalsContact O-N 3.16Å; A333-M337 WeakPolarHBondContact O-CB 3.5Å; A333-M337 PolarHBondContact O-N 2.7Å; A333-R454 HydrophobicContact CB-CG 3.89Å; A333-R454 WeakPolarHBondContact CB-O 3.3Å; A333-P457 HydrophobicContact CB-CB 4.47Å; A333-Q458 HydrophobicContact CB-CG 4.27Å
334	L	96.1	Very high	95.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-80.9	-3.5	-169.9	-71.2	168.9	0	0	0	114.5	K330 D331 M337 P338 A364 V365 G368	K330-L334 HydrophobicContact CB-CD1 4.09Å; K330-L334 WeakPolarHBondContact O-CB 3.13Å; K330-L334 PolarHBondContact O-N 2.76Å; D331-L334 PolarHBondContact O-N 2.96Å; L334-M337 HydrophobicContact CD2-SD 3.81Å; L334-P338 WeakPolarHBondContact O-CD 3.35Å; L334-P338 WeakPolarHBondContact O-CG 3.41Å; L334-A364 HydrophobicContact CB-CB 4.18Å; L334-A364 HydrophobicContact CD1-CB 3.44Å; L334-A364 VanDerWaalsContact CD1-CB 3.44Å; L334-A364 HydrophobicContact CG-CB 4.45Å; L334-V365 HydrophobicContact CD1-CG2 3.77Å; L334-V365 HydrophobicContact CD2-CG2 3.89Å; L334-V365 HydrophobicContact CG-CG2 4.48Å; L334-G368 VanDerWaalsContact O-CA 3.25Å; L334-G368 WeakPolarHBondContact O-CA 3.35Å
335	Q	96.8	Very high	95.3	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.019	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-27.4	164.7	-63.4	-57.2	-73.6	0	0	112.5	A296 N300 F301 P325 D331 A333	A296-Q335 HydrophobicContact CB-CB 4.15Å; A296-Q335 WeakPolarHBondContact CB-O 3.4Å; A296-Q335 WeakPolarHBondContact O-CB 3.28Å; N300-Q335 PolarHBondContact ND2-OE1 2.98Å; F301-Q335 HydrophobicContact CE2-CB 4.43Å; F301-Q335 HydrophobicContact CE2-CG 4.07Å; F301-Q335 HydrophobicContact CZ-CG 4.36Å; P325-Q335 HydrophobicContact CG-CG 4.3Å; D331-Q335 HydrophobicContact CB-CG 4.34Å; D331-Q335 WeakPolarHBondContact O-CB 3.42Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.12Å; D331-Q335 PolarHBondContact O-N 3.24Å; A333-Q335 VanDerWaalsContact C-N 3.3Å; A333-Q335 PolarHBondContact O-N 3.31Å
336	L	97.7	Very high	94.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-42.5	179.3	-178.8	57.5	0	0	0	112.7	L275 M292 V293 A296 Y297 A333 P338 Q339 L340 P457	L275-L336 HydrophobicContact CD1-CD2 3.56Å; M292-L336 HydrophobicContact CB-CD1 3.92Å; V293-L336 HydrophobicContact CG2-CD1 4.14Å; V293-L336 HydrophobicContact CG2-CD2 4.14Å; A296-L336 HydrophobicContact CB-CB 3.8Å; A296-L336 HydrophobicContact CB-CD1 4.07Å; Y297-L336 HydrophobicContact CE2-CD2 4.15Å; A333-L336 PolarHBondContact O-N 2.72Å; A333-L336 VanDerWaalsContact O-N 3.16Å; L336-P338 VanDerWaalsContact C-CD 3.48Å; L336-P338 VanDerWaalsContact C-N 3.35Å; L336-Q339 WeakPolarHBondContact O-CB 3.19Å; L336-Q339 PolarHBondContact O-N 3.29Å; L336-L340 HydrophobicContact CD1-CD1 4.45Å; L336-L340 HydrophobicContact CD1-CG 4.33Å; L336-L340 HydrophobicContact CD2-CD1 4.32Å; L336-L340 HydrophobicContact CG-CD1 3.88Å; L336-L340 HydrophobicContact CG-CG 4.27Å; L336-L340 PolarHBondContact O-N 3.46Å; L336-L340 VanDerWaalsContact O-N 3.15Å; L336-P457 HydrophobicContact CD2-CB 4.26Å; L336-P457 HydrophobicContact CD2-CG 4.06Å
337	M	95.5	Very high	94.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-50	-46.2	-178.8	174.3	-170.5	177.4	0	0	113.1	A333 L334 Q339 L340 F341 A447 N451 A453 R454	A333-M337 WeakPolarHBondContact O-CB 3.5Å; A333-M337 PolarHBondContact O-N 2.7Å; L334-M337 HydrophobicContact CD2-SD 3.81Å; M337-Q339 VanDerWaalsContact C-N 3.28Å; M337-Q339 PolarHBondContact O-N 2.95Å; M337-L340 PolarHBondContact O-N 3.45Å; M337-F341 VanDerWaalsContact O-CB 3.27Å; M337-F341 WeakPolarHBondContact O-CB 3.23Å; M337-F341 PolarHBondContact O-N 3.09Å; M337-A447 HydrophobicContact CE-CB 4.17Å; M337-A447 HydrophobicContact SD-CB 4.45Å; M337-N451 HydrophobicContact CE-CB 4.01Å; M337-A453 HydrophobicContact CB-CB 4.43Å; M337-A453 HydrophobicContact CG-CB 3.97Å; M337-R454 HydrophobicContact SD-CB 3.99Å
338	P	95.2	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-35	-179.9	-24.6	35.9	0	0	0	113.1	L334 L336 A342 F369 L372	L334-P338 WeakPolarHBondContact O-CD 3.35Å; L334-P338 WeakPolarHBondContact O-CG 3.41Å; L336-P338 VanDerWaalsContact C-CD 3.48Å; L336-P338 VanDerWaalsContact C-N 3.35Å; P338-A342 VanDerWaalsContact O-CB 3.26Å; P338-A342 WeakPolarHBondContact O-CB 3.45Å; P338-A342 PolarHBondContact O-N 3.07Å; P338-F369 HydrophobicContact CB-CD1 3.91Å; P338-F369 HydrophobicContact CB-CD2 4.07Å; P338-F369 HydrophobicContact CB-CE1 4.05Å; P338-F369 HydrophobicContact CB-CE2 4.21Å; P338-F369 HydrophobicContact CB-CG 3.92Å; P338-F369 HydrophobicContact CB-CZ 4.2Å; P338-F369 HydrophobicContact CG-CD1 4.44Å; P338-F369 HydrophobicContact CG-CD2 3.7Å; P338-F369 HydrophobicContact CG-CE2 3.81Å; P338-F369 HydrophobicContact CG-CG 4.04Å; P338-F369 HydrophobicContact CG-CZ 4.23Å; P338-L372 HydrophobicContact CB-CD2 4.23Å; P338-L372 HydrophobicContact CB-CG 4.38Å
339	Q	95.8	Very high	92.9	Very high	15 Å²	15	26.8 Å²	26.8	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-47	177.3	-52.2	-66.7	-39.8	0	0	110.2	M292 L336 M337 F341 A342 H343	M292-Q339 HydrophobicContact CB-CB 3.81Å; M292-Q339 HydrophobicContact CB-CG 4.39Å; M292-Q339 HydrophobicContact CG-CB 3.62Å; M292-Q339 HydrophobicContact CG-CG 4.47Å; M292-Q339 HydrophobicContact SD-CB 3.6Å; M292-Q339 VanDerWaalsContact SD-CB 3.6Å; L336-Q339 WeakPolarHBondContact O-CB 3.19Å; L336-Q339 PolarHBondContact O-N 3.29Å; M337-Q339 VanDerWaalsContact C-N 3.28Å; M337-Q339 PolarHBondContact O-N 2.95Å; Q339-F341 VanDerWaalsContact C-N 3.35Å; Q339-F341 PolarHBondContact O-N 3.12Å; Q339-A342 PolarHBondContact O-N 3.46Å; Q339-H343 WeakPolarHBondContact O-CB 3.49Å; Q339-H343 PolarHBondContact O-N 3.49Å
340	L	96	Very high	92.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-45.1	176	-70.2	168	0	0	0	111.4	F230 I279 V284 L289 M292 L336 M337 H343 C344 A453	F230-L340 HydrophobicContact CE1-CD2 4.23Å; F230-L340 HydrophobicContact CZ-CD1 4.31Å; F230-L340 HydrophobicContact CZ-CD2 4.41Å; I279-L340 HydrophobicContact CD1-CD2 4.45Å; V284-L340 HydrophobicContact CG2-CD2 4.38Å; L289-L340 HydrophobicContact CD1-CD2 4.14Å; M292-L340 HydrophobicContact CE-CD2 3.71Å; M292-L340 HydrophobicContact SD-CD2 4.24Å; L336-L340 HydrophobicContact CD1-CD1 4.45Å; L336-L340 HydrophobicContact CD1-CG 4.33Å; L336-L340 HydrophobicContact CD2-CD1 4.32Å; L336-L340 HydrophobicContact CG-CD1 3.88Å; L336-L340 HydrophobicContact CG-CG 4.27Å; L336-L340 PolarHBondContact O-N 3.46Å; L336-L340 VanDerWaalsContact O-N 3.15Å; M337-L340 PolarHBondContact O-N 3.45Å; L340-H343 WeakPolarHBondContact O-CB 3.2Å; L340-H343 PolarHBondContact O-N 3.35Å; L340-C344 PolarHBondContact O-N 3.05Å; L340-C344 PolarHBondContact O-SG 2.81Å; L340-A453 HydrophobicContact CD1-CB 4.36Å
341	F	94.1	Very high	92.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-50.4	178.2	-175.1	-93.8	0	0	0	111.1	V234 M337 Q339 H343 C344 L345 F351 I353 F369 T380	V234-F341 HydrophobicContact CG1-CB 4.22Å; V234-F341 HydrophobicContact CG1-CD2 4.07Å; M337-F341 VanDerWaalsContact O-CB 3.27Å; M337-F341 WeakPolarHBondContact O-CB 3.23Å; M337-F341 PolarHBondContact O-N 3.09Å; Q339-F341 VanDerWaalsContact C-N 3.35Å; Q339-F341 PolarHBondContact O-N 3.12Å; F341-H343 VanDerWaalsContact C-N 3.31Å; F341-H343 PolarHBondContact O-N 3.11Å; F341-C344 PolarHBondContact O-N 3.36Å; F341-C344 VanDerWaalsContact O-N 3.15Å; F341-L345 HydrophobicContact CD1-CD1 4.48Å; F341-L345 HydrophobicContact CD1-CD2 3.88Å; F341-L345 HydrophobicContact CD1-CG 4.3Å; F341-L345 HydrophobicContact CE1-CD1 4.3Å; F341-L345 HydrophobicContact CE1-CD2 3.45Å; F341-L345 VanDerWaalsContact CE1-CD2 3.45Å; F341-L345 HydrophobicContact CE1-CG 4.22Å; F341-L345 HydrophobicContact CE2-CD2 4.49Å; F341-L345 HydrophobicContact CZ-CD2 3.79Å; F341-L345 WeakPolarHBondContact O-CG 3.26Å; F341-L345 PolarHBondContact O-N 2.84Å; F341-F351 HydrophobicContact CE1-CB 3.93Å; F341-F351 HydrophobicContact CE1-CD1 4.28Å; F341-F351 HydrophobicContact CE1-CG 4.1Å; F341-F351 HydrophobicContact CZ-CB 4.15Å; F341-F351 AromaticContact CZ-CD1 3.7Å; F341-F351 HydrophobicContact CZ-CD1 3.7Å; F341-F351 HydrophobicContact CZ-CE1 4.32Å; F341-F351 AromaticContact CZ-CG 4Å; F341-F351 HydrophobicContact CZ-CG 4Å; F341-I353 HydrophobicContact CE1-CD1 3.74Å; F341-I353 HydrophobicContact CE2-CD1 4.44Å; F341-I353 HydrophobicContact CZ-CD1 3.68Å; F341-F369 HydrophobicContact CD1-CE1 4.03Å; F341-T380 HydrophobicContact CD1-CG2 4.42Å; F341-T380 HydrophobicContact CE1-CG2 4.28Å
342	A	93.4	Very high	92.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-41.3	177	0	0	0	0	0	113	P338 Q339 C344 L345 L372 D376	P338-A342 VanDerWaalsContact O-CB 3.26Å; P338-A342 WeakPolarHBondContact O-CB 3.45Å; P338-A342 PolarHBondContact O-N 3.07Å; Q339-A342 PolarHBondContact O-N 3.46Å; A342-C344 VanDerWaalsContact C-N 3.33Å; A342-C344 PolarHBondContact O-N 2.8Å; A342-L345 WeakPolarHBondContact O-CB 3.42Å; A342-L345 PolarHBondContact O-N 3.02Å; A342-L372 HydrophobicContact CB-CD1 4.36Å; A342-L372 HydrophobicContact CB-CD2 3.93Å; A342-D376 HydrophobicContact CB-CB 3.77Å
343	H	93.6	Very high	92.1	Very high	73 Å²	73	26.3 Å²	26.3	34%	0.338	15%	0.146	S	C	.	.	H	α-helix	trans	-62.7	-39.2	176.7	-178.4	84.3	0	0	0	112.2	D288 M292 Q339 L340 F341 L345	D288-H343 IonicContact OD2-CE1 3.84Å; D288-H343 PolarHBondContact OD2-CE1 3.34Å; M292-H343 HydrophobicContact CE-CB 4.27Å; M292-H343 HydrophobicContact SD-CB 4.05Å; Q339-H343 WeakPolarHBondContact O-CB 3.49Å; Q339-H343 PolarHBondContact O-N 3.49Å; L340-H343 WeakPolarHBondContact O-CB 3.2Å; L340-H343 PolarHBondContact O-N 3.35Å; F341-H343 VanDerWaalsContact C-N 3.31Å; F341-H343 PolarHBondContact O-N 3.11Å; H343-L345 VanDerWaalsContact C-N 3.28Å; H343-L345 PolarHBondContact O-N 3.44Å
344	C	92.1	Very high	91.9	Very high	16 Å²	16	26.3 Å²	26.3	11%	0.108	15%	0.147	C	C	.	.	H	α-helix	trans	-77.8	-9.7	179.2	-61	0	0	0	0	113.4	N231 V234 I235 L340 F341 A342	N231-C344 HydrophobicContact CB-CB 4.08Å; V234-C344 HydrophobicContact CG1-CB 4.46Å; I235-C344 HydrophobicContact CD1-CB 4.07Å; I235-C344 WeakPolarHBondContact CD1-O 3.23Å; I235-C344 HydrophobicContact CG1-CB 3.97Å; L340-C344 PolarHBondContact O-N 3.05Å; L340-C344 PolarHBondContact O-SG 2.81Å; F341-C344 PolarHBondContact O-N 3.36Å; F341-C344 VanDerWaalsContact O-N 3.15Å; A342-C344 VanDerWaalsContact C-N 3.33Å; A342-C344 PolarHBondContact O-N 2.8Å
345	L	89.8	Confident	91.7	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	15%	0.147	C	C	.	.	S	Bend	trans	-65.8	132.1	-174.7	-68.4	-171.7	0	0	0	113.2	F341 A342 H343 F351 R379 T380	F341-L345 HydrophobicContact CD1-CD1 4.48Å; F341-L345 HydrophobicContact CD1-CD2 3.88Å; F341-L345 HydrophobicContact CD1-CG 4.3Å; F341-L345 HydrophobicContact CE1-CD1 4.3Å; F341-L345 HydrophobicContact CE1-CD2 3.45Å; F341-L345 VanDerWaalsContact CE1-CD2 3.45Å; F341-L345 HydrophobicContact CE1-CG 4.22Å; F341-L345 HydrophobicContact CE2-CD2 4.49Å; F341-L345 HydrophobicContact CZ-CD2 3.79Å; F341-L345 WeakPolarHBondContact O-CG 3.26Å; F341-L345 PolarHBondContact O-N 2.84Å; A342-L345 WeakPolarHBondContact O-CB 3.42Å; A342-L345 PolarHBondContact O-N 3.02Å; H343-L345 VanDerWaalsContact C-N 3.28Å; H343-L345 PolarHBondContact O-N 3.44Å; L345-F351 HydrophobicContact CD1-CD2 3.95Å; L345-F351 HydrophobicContact CD2-CB 4.43Å; L345-F351 HydrophobicContact CD2-CD1 4.22Å; L345-F351 HydrophobicContact CD2-CD2 3.3Å; L345-F351 HydrophobicContact CD2-CE1 4.3Å; L345-F351 HydrophobicContact CD2-CE2 3.44Å; L345-F351 VanDerWaalsContact CD2-CE2 3.44Å; L345-F351 HydrophobicContact CD2-CG 3.72Å; L345-F351 HydrophobicContact CD2-CZ 3.94Å; L345-F351 HydrophobicContact CG-CD2 4.12Å; L345-F351 HydrophobicContact CG-CE2 4.4Å; L345-R379 HydrophobicContact CD1-CB 4.45Å; L345-R379 PolarHBondContact O-NH1 3.42Å; L345-T380 WeakPolarHBondContact CD1-OG1 3.41Å
346	P	85.3	Confident	91.4	Very high	53 Å²	53	26.9 Å²	26.9	34%	0.344	15%	0.152	S	C	.	.			trans	-53.3	138.9	169.1	-25.8	33.8	0	0	0	112.1	M348 C349 R379	P346-M348 PolarHBondContact O-N 2.89Å; P346-C349 HydrophobicContact CB-CB 4.25Å; P346-C349 PolarHBondContact O-N 2.71Å; P346-R379 PolarHBondContact O-NH1 3.08Å
347	P	79.6	Confident	90.9	Very high	113 Å²	113	27 Å²	27	73%	0.734	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26	-172	-29.7	35.5	0	0	0	116.4
348	M	81.1	Confident	90.1	Very high	175 Å²	175	29.4 Å²	29.4	86%	0.862	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	8.2	-172.4	-64	-62.4	-65.1	0	0	114.4	P346	P346-M348 PolarHBondContact O-N 2.89Å
349	C	85.2	Confident	89.5	Confident	42 Å²	42	29.4 Å²	29.4	28%	0.284	17%	0.169	S	C	.	.			trans	-110.7	132.5	-178.3	-68.3	0	0	0	0	111.2	P346 F351	P346-C349 HydrophobicContact CB-CB 4.25Å; P346-C349 PolarHBondContact O-N 2.71Å; C349-F351 HydrophobicContact CB-CD2 4.34Å; C349-F351 HydrophobicContact CB-CE2 3.67Å; C349-F351 HydrophobicContact CB-CZ 4.47Å
350	N	90.6	Very high	89	Confident	35 Å²	35	29 Å²	29	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	150.5	167	-64.8	-33.9	0	0	0	109.5	R379 Y440 G441 T442 V443 F721	N350-R379 CarbonylContact C-O 3.57Å; N350-R379 WeakPolarHBondContact CA-O 3.44Å; N350-Y440 PolarHBondContact ND2-O 3.08Å; N350-G441 PolarHBondContact N-O 3Å; N350-T442 HydrophobicContact CB-CG2 4.24Å; N350-T442 WeakPolarHBondContact CB-OG1 3.43Å; N350-T442 CarbonylContact O-C 3.55Å; N350-T442 VanDerWaalsContact O-CA 3.28Å; N350-T442 WeakPolarHBondContact O-CA 3.19Å; N350-V443 PolarHBondContact O-N 3.47Å; N350-F721 HydrophobicContact CB-CD1 4.16Å; N350-F721 HydrophobicContact CB-CD2 4.2Å; N350-F721 HydrophobicContact CB-CE1 4.07Å; N350-F721 HydrophobicContact CB-CE2 4.11Å; N350-F721 HydrophobicContact CB-CG 4.23Å; N350-F721 HydrophobicContact CB-CZ 4.04Å
351	F	92.8	Very high	88.7	Confident	9 Å²	9	30.1 Å²	30.1	4%	0.039	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.1	177.4	-78.4	-100.2	0	0	0	110.7	I235 F341 L345 C349 R379 T380 G381 V443 F721	I235-F351 HydrophobicContact CG2-CE1 3.9Å; I235-F351 HydrophobicContact CG2-CZ 4Å; F341-F351 HydrophobicContact CE1-CB 3.93Å; F341-F351 HydrophobicContact CE1-CD1 4.28Å; F341-F351 HydrophobicContact CE1-CG 4.1Å; F341-F351 HydrophobicContact CZ-CB 4.15Å; F341-F351 AromaticContact CZ-CD1 3.7Å; F341-F351 HydrophobicContact CZ-CD1 3.7Å; F341-F351 HydrophobicContact CZ-CE1 4.32Å; F341-F351 AromaticContact CZ-CG 4Å; F341-F351 HydrophobicContact CZ-CG 4Å; L345-F351 HydrophobicContact CD1-CD2 3.95Å; L345-F351 HydrophobicContact CD2-CB 4.43Å; L345-F351 HydrophobicContact CD2-CD1 4.22Å; L345-F351 HydrophobicContact CD2-CD2 3.3Å; L345-F351 HydrophobicContact CD2-CE1 4.3Å; L345-F351 HydrophobicContact CD2-CE2 3.44Å; L345-F351 VanDerWaalsContact CD2-CE2 3.44Å; L345-F351 HydrophobicContact CD2-CG 3.72Å; L345-F351 HydrophobicContact CD2-CZ 3.94Å; L345-F351 HydrophobicContact CG-CD2 4.12Å; L345-F351 HydrophobicContact CG-CE2 4.4Å; C349-F351 HydrophobicContact CB-CD2 4.34Å; C349-F351 HydrophobicContact CB-CE2 3.67Å; C349-F351 HydrophobicContact CB-CZ 4.47Å; F351-R379 PolarHBondContact N-O 3.2Å; F351-T380 CarbonylContact O-C 3.57Å; F351-T380 WeakPolarHBondContact O-CA 3.41Å; F351-G381 PolarHBondContact O-N 2.96Å; F351-V443 WeakPolarHBondContact CA-O 3.22Å; F351-V443 HydrophobicContact CD1-CB 4.05Å; F351-V443 HydrophobicContact CD1-CG1 4.35Å; F351-V443 HydrophobicContact CE1-CB 3.83Å; F351-V443 HydrophobicContact CE1-CG1 3.92Å; F351-V443 HydrophobicContact CZ-CB 4.19Å; F351-V443 HydrophobicContact CZ-CG2 4.47Å; F351-F721 WeakPolarHBondContact O-CZ 3.5Å
352	L	93.1	Very high	88.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.5	170.5	-177.7	67.7	0	0	0	109.7	L354 G381 L383 T442 V443 L444 S445 V713 M716 M717	L352-L354 HydrophobicContact CD2-CD2 3.78Å; L352-L354 HydrophobicContact CD2-CG 4.5Å; L352-L354 HydrophobicContact CG-CD2 3.88Å; L352-L354 HydrophobicContact CG-CG 4.47Å; L352-G381 WeakPolarHBondContact CA-O 3.43Å; L352-L383 HydrophobicContact CD1-CB 4.45Å; L352-T442 HydrophobicContact CB-CG2 3.9Å; L352-V443 PolarHBondContact N-O 3.28Å; L352-L444 HydrophobicContact CB-CD2 4.03Å; L352-L444 HydrophobicContact CD2-CD2 3.96Å; L352-L444 HydrophobicContact CG-CD2 4.36Å; L352-S445 PolarHBondContact O-N 3.14Å; L352-V713 HydrophobicContact CD2-CG1 3.67Å; L352-M716 HydrophobicContact CD1-CG 3.78Å; L352-M717 HydrophobicContact CD2-CG 3.81Å; L352-M717 HydrophobicContact CD2-SD 4.07Å
353	I	93.1	Very high	88.6	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.8	177.7	-48.2	-54.6	0	0	0	109.3	F341 V355 F369 T380 G381 V382 L383 S445 A447	F341-I353 HydrophobicContact CE1-CD1 3.74Å; F341-I353 HydrophobicContact CE2-CD1 4.44Å; F341-I353 HydrophobicContact CZ-CD1 3.68Å; I353-V355 HydrophobicContact CG2-CG2 3.99Å; I353-F369 HydrophobicContact CD1-CE1 4.32Å; I353-F369 HydrophobicContact CD1-CZ 4.36Å; I353-F369 HydrophobicContact CG1-CD1 4.28Å; I353-F369 HydrophobicContact CG1-CE1 3.72Å; I353-F369 HydrophobicContact CG1-CE2 4.5Å; I353-F369 HydrophobicContact CG1-CZ 3.85Å; I353-T380 HydrophobicContact CG1-CG2 4.22Å; I353-G381 PolarHBondContact N-O 2.73Å; I353-V382 HydrophobicContact CB-CB 4.46Å; I353-V382 HydrophobicContact CB-CG1 4.47Å; I353-V382 HydrophobicContact CB-CG2 3.96Å; I353-V382 HydrophobicContact CG1-CG2 4.11Å; I353-V382 WeakPolarHBondContact O-CA 3.37Å; I353-L383 PolarHBondContact O-N 3.03Å; I353-S445 CarbonylContact C-O 3.54Å; I353-S445 VanDerWaalsContact CA-O 3.3Å; I353-S445 WeakPolarHBondContact CA-O 3.46Å; I353-A447 HydrophobicContact CG2-CB 3.69Å
354	L	93	Very high	88.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	174.8	-59.1	-176	0	0	0	110.3	L352 L383 I423 M426 F427 L444 S445 V713	L352-L354 HydrophobicContact CD2-CD2 3.78Å; L352-L354 HydrophobicContact CD2-CG 4.5Å; L352-L354 HydrophobicContact CG-CD2 3.88Å; L352-L354 HydrophobicContact CG-CG 4.47Å; L354-L383 WeakPolarHBondContact CA-O 3.42Å; L354-L383 HydrophobicContact CD2-CB 3.78Å; L354-L383 HydrophobicContact CD2-CD2 4.18Å; L354-L383 HydrophobicContact CD2-CG 4.43Å; L354-I423 HydrophobicContact CB-CD1 4.16Å; L354-I423 HydrophobicContact CB-CG1 4.37Å; L354-I423 HydrophobicContact CB-CG2 4.03Å; L354-M426 HydrophobicContact CD1-SD 3.89Å; L354-F427 HydrophobicContact CB-CE2 4.25Å; L354-F427 HydrophobicContact CD1-CE2 4.26Å; L354-L444 HydrophobicContact CD1-CD1 4.09Å; L354-L444 HydrophobicContact CD1-CD2 4.01Å; L354-L444 HydrophobicContact CG-CD2 4.34Å; L354-S445 PolarHBondContact N-O 3.34Å; L354-V713 HydrophobicContact CD1-CG2 4.3Å; L354-V713 HydrophobicContact CD2-CG2 3.99Å
355	V	91.9	Very high	88.7	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.9	179.1	-178.9	0	0	0	0	110.8	I353 T361 V365 L383 V384 F385 A447	I353-V355 HydrophobicContact CG2-CG2 3.99Å; V355-T361 HydrophobicContact CG1-CG2 4.18Å; V355-V365 HydrophobicContact CG2-CG1 4.02Å; V355-V365 HydrophobicContact CG2-CG2 4.31Å; V355-L383 PolarHBondContact N-O 2.82Å; V355-V384 HydrophobicContact CB-CG2 4.21Å; V355-V384 CarbonylContact O-C 3.48Å; V355-V384 VanDerWaalsContact O-CA 3.31Å; V355-V384 WeakPolarHBondContact O-CA 3.42Å; V355-F385 PolarHBondContact O-N 3.46Å; V355-A447 HydrophobicContact CG2-CB 4.14Å
356	A	89.8	Confident	88.9	Confident	15 Å²	15	25.3 Å²	25.3	12%	0.124	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.6	163.4	0	0	0	0	0	108.7	F385 F416 C419 Q420 I423	A356-F385 WeakPolarHBondContact CA-O 3.45Å; A356-F416 HydrophobicContact CB-CE2 4.07Å; A356-C419 HydrophobicContact CB-CB 3.88Å; A356-Q420 HydrophobicContact CB-CB 4.04Å; A356-I423 HydrophobicContact CB-CD1 3.75Å
357	T	88.1	Confident	89.3	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.018	14%	0.135	C	C	.	.			trans	-147.2	151.6	-178	-164.3	0	0	0	0	113.6	G359 G362 V384 F385 F386 P387 M399 F416	T357-G359 PolarHBondContact OG1-N 2.76Å; T357-G359 VanDerWaalsContact OG1-N 3.11Å; T357-G359 PolarHBondContact OG1-O 3.43Å; T357-G362 PolarHBondContact OG1-N 3.35Å; T357-G362 VanDerWaalsContact OG1-N 3.09Å; T357-V384 HydrophobicContact CG2-CG1 3.6Å; T357-F385 PolarHBondContact N-O 3.45Å; T357-F385 VanDerWaalsContact N-O 3.09Å; T357-F386 HydrophobicContact CG2-CB 3.74Å; T357-P387 VanDerWaalsContact O-CD 3.26Å; T357-P387 WeakPolarHBondContact O-CD 3.22Å; T357-M399 HydrophobicContact CG2-CE 4.4Å; T357-M399 HydrophobicContact CG2-SD 3.62Å; T357-F416 VanDerWaalsContact C-CD2 3.47Å
358	S	79.3	Confident	90	Very high	50 Å²	50	17.6 Å²	17.6	35%	0.35	10%	0.1	S	C	.	.	S	Bend	trans	-97.2	8.5	165.8	54.6	0	0	0	0	113
359	G	81.7	Confident	90.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	148.3	-96.2	174.5	0	0	0	0	0	113.3	T357 T361 G362 S363	T357-G359 PolarHBondContact OG1-N 2.76Å; T357-G359 VanDerWaalsContact OG1-N 3.11Å; T357-G359 PolarHBondContact OG1-O 3.43Å; G359-T361 VanDerWaalsContact C-N 3.31Å; G359-T361 PolarHBondContact O-N 3.04Å; G359-T361 VanDerWaalsContact O-N 3.12Å; G359-G362 PolarHBondContact O-N 3.15Å; G359-S363 PolarHBondContact O-N 2.92Å
360	D	86.6	Confident	91	Very high	6 Å²	6	8.3 Å²	8.3	3%	0.032	5%	0.054	C	C	.	.	H	α-helix	trans	-52.8	-40.4	-166.8	-66.8	-25.7	0	0	0	115.6	K330 G362 S363 A364 Q395 K649	K330-D360 HydrophobicContact CD-CB 3.8Å; K330-D360 IonicContact NZ-OD2 2.72Å; K330-D360 PolarHBondContact NZ-OD2 3.38Å; K330-D360 VanDerWaalsContact NZ-OD2 3.14Å; D360-G362 VanDerWaalsContact C-N 3.31Å; D360-G362 PolarHBondContact O-N 3.22Å; D360-S363 PolarHBondContact O-N 3.42Å; D360-A364 WeakPolarHBondContact O-CB 3.47Å; D360-A364 PolarHBondContact O-N 2.85Å; D360-A364 VanDerWaalsContact O-N 3.13Å; D360-Q395 PolarHBondContact OD1-NE2 3.46Å; D360-K649 WeakPolarHBondContact OD1-CE 3.22Å; D360-K649 IonicContact OD1-NZ 3.15Å; D360-K649 PolarHBondContact OD1-NZ 3.17Å
361	T	89.4	Confident	91	Very high	28 Å²	28	10.9 Å²	10.9	17%	0.172	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-41.5	-177.5	-61.6	0	0	0	0	110.3	K330 V355 G359 A364 V365 R454	K330-T361 WeakPolarHBondContact CD-OG1 3.44Å; K330-T361 VanDerWaalsContact CE-OG1 3.22Å; K330-T361 WeakPolarHBondContact CE-OG1 3.35Å; V355-T361 HydrophobicContact CG1-CG2 4.18Å; G359-T361 VanDerWaalsContact C-N 3.31Å; G359-T361 PolarHBondContact O-N 3.04Å; G359-T361 VanDerWaalsContact O-N 3.12Å; T361-A364 PolarHBondContact O-N 3.17Å; T361-V365 HydrophobicContact CG2-CG2 4.14Å; T361-V365 WeakPolarHBondContact O-CB 3.26Å; T361-V365 VanDerWaalsContact O-CG2 3.23Å; T361-V365 WeakPolarHBondContact O-CG2 3.46Å; T361-V365 PolarHBondContact O-N 2.63Å; T361-R454 PolarHBondContact OG1-NH2 3.3Å
362	G	91.6	Very high	90.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.2	-52.2	178.1	0	0	0	0	0	112.5	T357 G359 D360 A364 V365 L366	T357-G362 PolarHBondContact OG1-N 3.35Å; T357-G362 VanDerWaalsContact OG1-N 3.09Å; G359-G362 PolarHBondContact O-N 3.15Å; D360-G362 VanDerWaalsContact C-N 3.31Å; D360-G362 PolarHBondContact O-N 3.22Å; G362-A364 VanDerWaalsContact C-N 3.3Å; G362-A364 PolarHBondContact O-N 3.18Å; G362-V365 PolarHBondContact O-N 2.86Å; G362-L366 WeakPolarHBondContact O-CB 3.37Å; G362-L366 WeakPolarHBondContact O-CD1 3.24Å; G362-L366 VanDerWaalsContact O-CG 3.26Å; G362-L366 WeakPolarHBondContact O-CG 3.01Å; G362-L366 PolarHBondContact O-N 3.22Å
363	S	92.3	Very high	90.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-46	179.6	-48.3	0	0	0	0	111.4	T326 G359 D360 S367 M399	T326-S363 WeakPolarHBondContact CG2-O 3.45Å; G359-S363 PolarHBondContact O-N 2.92Å; D360-S363 PolarHBondContact O-N 3.42Å; S363-S367 VanDerWaalsContact O-CB 3.29Å; S363-S367 WeakPolarHBondContact O-CB 3.46Å; S363-S367 PolarHBondContact O-N 2.89Å; S363-M399 WeakPolarHBondContact OG-CG 3.48Å
364	A	94.2	Very high	90.4	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-39.6	-177.7	0	0	0	0	0	112.7	T326 K330 L334 D360 T361 G362 G368	T326-A364 HydrophobicContact CG2-CB 4.45Å; K330-A364 HydrophobicContact CB-CB 3.9Å; L334-A364 HydrophobicContact CB-CB 4.18Å; L334-A364 HydrophobicContact CD1-CB 3.44Å; L334-A364 VanDerWaalsContact CD1-CB 3.44Å; L334-A364 HydrophobicContact CG-CB 4.45Å; D360-A364 WeakPolarHBondContact O-CB 3.47Å; D360-A364 PolarHBondContact O-N 2.85Å; D360-A364 VanDerWaalsContact O-N 3.13Å; T361-A364 PolarHBondContact O-N 3.17Å; G362-A364 VanDerWaalsContact C-N 3.3Å; G362-A364 PolarHBondContact O-N 3.18Å; A364-G368 PolarHBondContact O-N 2.71Å
365	V	94.6	Very high	90	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-50.7	174.9	173.4	0	0	0	0	109.9	L334 V355 T361 G362 S367 G368 F369 V382 A447	L334-V365 HydrophobicContact CD1-CG2 3.77Å; L334-V365 HydrophobicContact CD2-CG2 3.89Å; L334-V365 HydrophobicContact CG-CG2 4.48Å; V355-V365 HydrophobicContact CG2-CG1 4.02Å; V355-V365 HydrophobicContact CG2-CG2 4.31Å; T361-V365 HydrophobicContact CG2-CG2 4.14Å; T361-V365 WeakPolarHBondContact O-CB 3.26Å; T361-V365 VanDerWaalsContact O-CG2 3.23Å; T361-V365 WeakPolarHBondContact O-CG2 3.46Å; T361-V365 PolarHBondContact O-N 2.63Å; G362-V365 PolarHBondContact O-N 2.86Å; V365-S367 VanDerWaalsContact C-N 3.32Å; V365-S367 PolarHBondContact O-N 3.3Å; V365-G368 PolarHBondContact O-N 2.8Å; V365-F369 HydrophobicContact CG1-CD2 3.71Å; V365-F369 HydrophobicContact CG1-CE2 3.95Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 2.68Å; V365-V382 HydrophobicContact CG1-CG1 3.67Å; V365-A447 HydrophobicContact CG1-CB 3.96Å; V365-A447 HydrophobicContact CG2-CB 3.73Å
366	L	94.1	Very high	89.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.4	-46.3	178.3	-69.4	161.3	0	0	0	111.3	G362 G368 S370 V382 V384 M399 F402 A407 A409	G362-L366 WeakPolarHBondContact O-CB 3.37Å; G362-L366 WeakPolarHBondContact O-CD1 3.24Å; G362-L366 VanDerWaalsContact O-CG 3.26Å; G362-L366 WeakPolarHBondContact O-CG 3.01Å; G362-L366 PolarHBondContact O-N 3.22Å; L366-G368 VanDerWaalsContact C-N 3.33Å; L366-G368 PolarHBondContact O-N 3.28Å; L366-S370 WeakPolarHBondContact O-CB 3.19Å; L366-S370 PolarHBondContact O-N 3.02Å; L366-S370 VanDerWaalsContact O-N 3.09Å; L366-S370 PolarHBondContact O-OG 3.43Å; L366-V382 HydrophobicContact CD2-CG1 4.14Å; L366-V384 HydrophobicContact CD1-CB 4.19Å; L366-V384 HydrophobicContact CD1-CG2 3.9Å; L366-V384 HydrophobicContact CD2-CB 4.38Å; L366-V384 HydrophobicContact CD2-CG2 3.72Å; L366-V384 HydrophobicContact CG-CB 4.36Å; L366-V384 HydrophobicContact CG-CG2 3.58Å; L366-M399 HydrophobicContact CD1-CB 3.98Å; L366-M399 HydrophobicContact CD1-CG 4.03Å; L366-F402 HydrophobicContact CB-CB 4.38Å; L366-F402 HydrophobicContact CB-CD1 4.29Å; L366-F402 HydrophobicContact CB-CD2 3.54Å; L366-F402 HydrophobicContact CB-CE1 4.46Å; L366-F402 HydrophobicContact CB-CE2 3.72Å; L366-F402 HydrophobicContact CB-CG 3.82Å; L366-F402 HydrophobicContact CB-CZ 4.19Å; L366-F402 HydrophobicContact CD1-CB 4.38Å; L366-F402 HydrophobicContact CD1-CD2 3.95Å; L366-F402 HydrophobicContact CD1-CG 4.43Å; L366-F402 HydrophobicContact CD2-CB 4.07Å; L366-F402 HydrophobicContact CD2-CG 4.41Å; L366-F402 HydrophobicContact CG-CD2 4.25Å; L366-F402 HydrophobicContact CG-CG 4.45Å; L366-A407 HydrophobicContact CD2-CB 3.95Å; L366-A409 HydrophobicContact CD1-CB 3.72Å
367	S	93.9	Very high	89.7	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-31	179.6	-164.7	0	0	0	0	113.3	S363 V365 S370 R371 R690	S363-S367 VanDerWaalsContact O-CB 3.29Å; S363-S367 WeakPolarHBondContact O-CB 3.46Å; S363-S367 PolarHBondContact O-N 2.89Å; V365-S367 VanDerWaalsContact C-N 3.32Å; V365-S367 PolarHBondContact O-N 3.3Å; S367-S370 PolarHBondContact O-OG 3.36Å; S367-R371 WeakPolarHBondContact O-CD 3.29Å; S367-R371 WeakPolarHBondContact O-CG 3.19Å; S367-R690 PolarHBondContact OG-NH2 3.31Å
368	G	94.3	Very high	89.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-73.2	-55.6	177.3	0	0	0	0	0	112.7	L334 A364 V365 L366 S370 R371	L334-G368 VanDerWaalsContact O-CA 3.25Å; L334-G368 WeakPolarHBondContact O-CA 3.35Å; A364-G368 PolarHBondContact O-N 2.71Å; V365-G368 PolarHBondContact O-N 2.8Å; L366-G368 VanDerWaalsContact C-N 3.33Å; L366-G368 PolarHBondContact O-N 3.28Å; G368-S370 PolarHBondContact O-N 3.45Å; G368-R371 WeakPolarHBondContact O-CB 3.49Å; G368-R371 PolarHBondContact O-N 3.39Å
369	F	94.1	Very high	90.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.9	-27.7	-175.4	-79	-92.2	0	0	0	113.6	P338 F341 I353 V365 R371 L372 T380 V382 N406 A447	P338-F369 HydrophobicContact CB-CD1 3.91Å; P338-F369 HydrophobicContact CB-CD2 4.07Å; P338-F369 HydrophobicContact CB-CE1 4.05Å; P338-F369 HydrophobicContact CB-CE2 4.21Å; P338-F369 HydrophobicContact CB-CG 3.92Å; P338-F369 HydrophobicContact CB-CZ 4.2Å; P338-F369 HydrophobicContact CG-CD1 4.44Å; P338-F369 HydrophobicContact CG-CD2 3.7Å; P338-F369 HydrophobicContact CG-CE2 3.81Å; P338-F369 HydrophobicContact CG-CG 4.04Å; P338-F369 HydrophobicContact CG-CZ 4.23Å; F341-F369 HydrophobicContact CD1-CE1 4.03Å; I353-F369 HydrophobicContact CD1-CE1 4.32Å; I353-F369 HydrophobicContact CD1-CZ 4.36Å; I353-F369 HydrophobicContact CG1-CD1 4.28Å; I353-F369 HydrophobicContact CG1-CE1 3.72Å; I353-F369 HydrophobicContact CG1-CE2 4.5Å; I353-F369 HydrophobicContact CG1-CZ 3.85Å; V365-F369 HydrophobicContact CG1-CD2 3.71Å; V365-F369 HydrophobicContact CG1-CE2 3.95Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 2.68Å; F369-R371 PolarHBondContact O-N 3.37Å; F369-L372 HydrophobicContact CD1-CD1 3.9Å; F369-L372 WeakPolarHBondContact O-CB 3.38Å; F369-L372 WeakPolarHBondContact O-CG 3.34Å; F369-L372 PolarHBondContact O-N 3.09Å; F369-L372 VanDerWaalsContact O-N 3.17Å; F369-T380 HydrophobicContact CD1-CG2 3.53Å; F369-T380 HydrophobicContact CE1-CG2 3.65Å; F369-V382 HydrophobicContact CB-CB 4.41Å; F369-V382 HydrophobicContact CB-CG2 3.25Å; F369-V382 HydrophobicContact CD1-CG2 3.76Å; F369-V382 HydrophobicContact CD2-CG2 3.88Å; F369-V382 HydrophobicContact CG-CG2 3.36Å; F369-N406 PolarHBondContact O-ND2 2.96Å; F369-A447 HydrophobicContact CE2-CB 4.02Å
370	S	92.3	Very high	90.7	Very high	23 Å²	23	30.2 Å²	30.2	16%	0.161	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.7	173.4	57.5	0	0	0	0	113.8	L366 S367 G368 L372 R377 F402	L366-S370 WeakPolarHBondContact O-CB 3.19Å; L366-S370 PolarHBondContact O-N 3.02Å; L366-S370 VanDerWaalsContact O-N 3.09Å; L366-S370 PolarHBondContact O-OG 3.43Å; S367-S370 PolarHBondContact O-OG 3.36Å; G368-S370 PolarHBondContact O-N 3.45Å; S370-L372 VanDerWaalsContact C-N 3.34Å; S370-R377 PolarHBondContact O-NH1 3.33Å; S370-R377 VanDerWaalsContact O-NH1 3.13Å; S370-F402 VanDerWaalsContact OG-CE1 3.29Å; S370-F402 WeakPolarHBondContact OG-CE1 3.15Å
371	R	90.5	Very high	91	Very high	88 Å²	88	29.9 Å²	29.9	33%	0.332	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.6	175.5	-66	175.1	71.5	97	-1.2	113.4	D299 S367 G368 F369	D299-R371 IonicContact OD1-NH2 3.71Å; S367-R371 WeakPolarHBondContact O-CD 3.29Å; S367-R371 WeakPolarHBondContact O-CG 3.19Å; G368-R371 WeakPolarHBondContact O-CB 3.49Å; G368-R371 PolarHBondContact O-N 3.39Å; F369-R371 PolarHBondContact O-N 3.37Å
372	L	91.8	Very high	91.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.16	C	C	.	.			trans	-63.7	148.6	166.1	-64.8	176.9	0	0	0	109.6	P338 A342 F369 S370 D376 R377 T380	P338-L372 HydrophobicContact CB-CD2 4.23Å; P338-L372 HydrophobicContact CB-CG 4.38Å; A342-L372 HydrophobicContact CB-CD1 4.36Å; A342-L372 HydrophobicContact CB-CD2 3.93Å; F369-L372 HydrophobicContact CD1-CD1 3.9Å; F369-L372 WeakPolarHBondContact O-CB 3.38Å; F369-L372 WeakPolarHBondContact O-CG 3.34Å; F369-L372 PolarHBondContact O-N 3.09Å; F369-L372 VanDerWaalsContact O-N 3.17Å; S370-L372 VanDerWaalsContact C-N 3.34Å; L372-D376 HydrophobicContact CB-CB 4.47Å; L372-D376 HydrophobicContact CD2-CB 4.49Å; L372-R377 HydrophobicContact CB-CB 4.18Å; L372-T380 HydrophobicContact CD1-CG2 4.12Å
373	S	87.6	Confident	91.4	Very high	68 Å²	68	28.6 Å²	28.6	48%	0.476	16%	0.16	S	C	.	.			trans	-134.6	152.9	-172	52.3	0	0	0	0	110.6	K295	K295-S373 PolarHBondContact NZ-OG 3.41Å
374	G	87.7	Confident	91.5	Very high	49 Å²	49	28.6 Å²	28.6	51%	0.505	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-142.1	178.1	0	0	0	0	0	112.6	D376 R377 H378	G374-D376 PolarHBondContact O-N 3.41Å; G374-R377 WeakPolarHBondContact O-CB 3.45Å; G374-R377 PolarHBondContact O-N 3.01Å; G374-H378 PolarHBondContact O-CD2 2.86Å; G374-H378 PolarHBondContact O-N 3.23Å
375	A	83.6	Confident	91.5	Very high	68 Å²	68	28.6 Å²	28.6	56%	0.562	16%	0.16	S	C	*	.	H	α-helix	trans	-55.9	-34.6	-176.1	0	0	0	0	0	113.5	R377 H378 R379	A375-R377 VanDerWaalsContact C-N 3.34Å; A375-R377 PolarHBondContact O-N 3.12Å; A375-H378 PolarHBondContact O-N 3.43Å; A375-H378 VanDerWaalsContact O-N 3.16Å; A375-R379 WeakPolarHBondContact O-CG 3.41Å; A375-R379 PolarHBondContact O-N 2.92Å
376	D	88.2	Confident	91.4	Very high	48 Å²	48	28.6 Å²	28.6	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-67.2	-35.1	-177.8	-63.5	-28.2	0	0	0	113.1	A342 L372 G374 H378 R379 T380	A342-D376 HydrophobicContact CB-CB 3.77Å; L372-D376 HydrophobicContact CB-CB 4.47Å; L372-D376 HydrophobicContact CD2-CB 4.49Å; G374-D376 PolarHBondContact O-N 3.41Å; D376-H378 VanDerWaalsContact C-N 3.31Å; D376-R379 PolarHBondContact O-N 2.86Å; D376-R379 IonicContact OD1-CZ 3.62Å; D376-R379 IonicContact OD1-NH2 2.74Å; D376-R379 PolarHBondContact OD1-NH2 3.24Å; D376-T380 WeakPolarHBondContact O-CB 3.29Å; D376-T380 PolarHBondContact O-N 3.35Å; D376-T380 PolarHBondContact O-OG1 2.88Å
377	R	88.6	Confident	91.2	Very high	96 Å²	96	28.8 Å²	28.8	36%	0.362	16%	0.162	S	C	.	.	H	α-helix	trans	-65.2	-38	173.8	-170.3	-174.6	175.2	118.8	-4.4	111.3	S370 L372 G374 A375 N406	S370-R377 PolarHBondContact O-NH1 3.33Å; S370-R377 VanDerWaalsContact O-NH1 3.13Å; L372-R377 HydrophobicContact CB-CB 4.18Å; G374-R377 WeakPolarHBondContact O-CB 3.45Å; G374-R377 PolarHBondContact O-N 3.01Å; A375-R377 VanDerWaalsContact C-N 3.34Å; A375-R377 PolarHBondContact O-N 3.12Å; R377-N406 HydrophobicContact CG-CB 4.03Å; R377-N406 WeakPolarHBondContact O-CB 3.22Å
378	H	87.5	Confident	91	Very high	112 Å²	112	30.9 Å²	30.9	52%	0.519	17%	0.172	S	C	.	.	H	α-helix	trans	-78.5	-18.5	-179.8	-66.5	-66.7	0	0	0	113.2	G374 A375 D376 F721	G374-H378 PolarHBondContact O-CD2 2.86Å; G374-H378 PolarHBondContact O-N 3.23Å; A375-H378 PolarHBondContact O-N 3.43Å; A375-H378 VanDerWaalsContact O-N 3.16Å; D376-H378 VanDerWaalsContact C-N 3.31Å; H378-F721 WeakPolarHBondContact O-CD1 3.28Å
379	R	90.2	Very high	90.5	Very high	43 Å²	43	38.1 Å²	38.1	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-97.6	-5.2	175.4	-66.2	-173.4	-58.4	143.4	3.5	113.8	L345 P346 N350 F351 A375 D376	L345-R379 HydrophobicContact CD1-CB 4.45Å; L345-R379 PolarHBondContact O-NH1 3.42Å; P346-R379 PolarHBondContact O-NH1 3.08Å; N350-R379 CarbonylContact C-O 3.57Å; N350-R379 WeakPolarHBondContact CA-O 3.44Å; F351-R379 PolarHBondContact N-O 3.2Å; A375-R379 WeakPolarHBondContact O-CG 3.41Å; A375-R379 PolarHBondContact O-N 2.92Å; D376-R379 PolarHBondContact O-N 2.86Å; D376-R379 IonicContact OD1-CZ 3.62Å; D376-R379 IonicContact OD1-NH2 2.74Å; D376-R379 PolarHBondContact OD1-NH2 3.24Å
380	T	92.2	Very high	89.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	108.4	-173.9	-43.4	0	0	0	0	112.1	F341 L345 F351 I353 F369 L372 D376 N406	F341-T380 HydrophobicContact CD1-CG2 4.42Å; F341-T380 HydrophobicContact CE1-CG2 4.28Å; L345-T380 WeakPolarHBondContact CD1-OG1 3.41Å; F351-T380 CarbonylContact O-C 3.57Å; F351-T380 WeakPolarHBondContact O-CA 3.41Å; I353-T380 HydrophobicContact CG1-CG2 4.22Å; F369-T380 HydrophobicContact CD1-CG2 3.53Å; F369-T380 HydrophobicContact CE1-CG2 3.65Å; L372-T380 HydrophobicContact CD1-CG2 4.12Å; D376-T380 WeakPolarHBondContact O-CB 3.29Å; D376-T380 PolarHBondContact O-N 3.35Å; D376-T380 PolarHBondContact O-OG1 2.88Å; T380-N406 WeakPolarHBondContact O-CB 3.38Å; T380-N406 PolarHBondContact O-ND2 3.45Å; T380-N406 VanDerWaalsContact O-ND2 3.07Å
381	G	93.4	Very high	89.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	153.2	173	0	0	0	0	0	111.8	F351 L352 I353 N406	F351-G381 PolarHBondContact O-N 2.96Å; L352-G381 WeakPolarHBondContact CA-O 3.43Å; I353-G381 PolarHBondContact N-O 2.73Å; G381-N406 CarbonylContact C-O 3.5Å; G381-N406 WeakPolarHBondContact CA-O 3.23Å
382	V	94.5	Very high	88.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.6	177	179.5	0	0	0	0	110.9	I353 V365 L366 F369 V384 N406 A407 R408 M716	I353-V382 HydrophobicContact CB-CB 4.46Å; I353-V382 HydrophobicContact CB-CG1 4.47Å; I353-V382 HydrophobicContact CB-CG2 3.96Å; I353-V382 HydrophobicContact CG1-CG2 4.11Å; I353-V382 WeakPolarHBondContact O-CA 3.37Å; V365-V382 HydrophobicContact CG1-CG1 3.67Å; L366-V382 HydrophobicContact CD2-CG1 4.14Å; F369-V382 HydrophobicContact CB-CB 4.41Å; F369-V382 HydrophobicContact CB-CG2 3.25Å; F369-V382 HydrophobicContact CD1-CG2 3.76Å; F369-V382 HydrophobicContact CD2-CG2 3.88Å; F369-V382 HydrophobicContact CG-CG2 3.36Å; V382-V384 HydrophobicContact CG1-CG2 4.13Å; V382-N406 PolarHBondContact N-O 2.67Å; V382-A407 HydrophobicContact CB-CB 4.48Å; V382-A407 WeakPolarHBondContact O-CA 3.42Å; V382-R408 PolarHBondContact O-N 3.17Å; V382-M716 WeakPolarHBondContact O-CE 3.18Å
383	L	94.6	Very high	88.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.7	173.5	-172.2	61.5	0	0	0	110.3	L352 I353 L354 V355 F385 R408 V410 E712 V713 M716	L352-L383 HydrophobicContact CD1-CB 4.45Å; I353-L383 PolarHBondContact O-N 3.03Å; L354-L383 WeakPolarHBondContact CA-O 3.42Å; L354-L383 HydrophobicContact CD2-CB 3.78Å; L354-L383 HydrophobicContact CD2-CD2 4.18Å; L354-L383 HydrophobicContact CD2-CG 4.43Å; V355-L383 PolarHBondContact N-O 2.82Å; L383-F385 HydrophobicContact CD2-CE1 4.04Å; L383-F385 HydrophobicContact CD2-CE2 4.05Å; L383-F385 HydrophobicContact CD2-CZ 3.49Å; L383-F385 VanDerWaalsContact CD2-CZ 3.49Å; L383-F385 HydrophobicContact CG-CE1 4.24Å; L383-F385 HydrophobicContact CG-CE2 4.4Å; L383-F385 HydrophobicContact CG-CZ 4.02Å; L383-R408 WeakPolarHBondContact CA-O 3.47Å; L383-R408 HydrophobicContact CD1-CB 3.9Å; L383-R408 HydrophobicContact CD1-CG 4.02Å; L383-V410 HydrophobicContact CD1-CG2 3.72Å; L383-E712 HydrophobicContact CD1-CG 4.35Å; L383-E712 HydrophobicContact CD2-CG 4.28Å; L383-V713 HydrophobicContact CD2-CB 4.42Å; L383-V713 HydrophobicContact CD2-CG2 3.75Å; L383-M716 HydrophobicContact CB-CG 4.27Å; L383-M716 HydrophobicContact CD1-CB 4.49Å; L383-M716 HydrophobicContact CD2-CB 4.27Å
384	V	94.4	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	178	179	0	0	0	0	110.1	V355 T357 L366 V382 M399 R408 V410	V355-V384 HydrophobicContact CB-CG2 4.21Å; V355-V384 CarbonylContact O-C 3.48Å; V355-V384 VanDerWaalsContact O-CA 3.31Å; V355-V384 WeakPolarHBondContact O-CA 3.42Å; T357-V384 HydrophobicContact CG2-CG1 3.6Å; L366-V384 HydrophobicContact CD1-CB 4.19Å; L366-V384 HydrophobicContact CD1-CG2 3.9Å; L366-V384 HydrophobicContact CD2-CB 4.38Å; L366-V384 HydrophobicContact CD2-CG2 3.72Å; L366-V384 HydrophobicContact CG-CB 4.36Å; L366-V384 HydrophobicContact CG-CG2 3.58Å; V382-V384 HydrophobicContact CG1-CG2 4.13Å; V384-M399 HydrophobicContact CG1-SD 4.23Å; V384-R408 PolarHBondContact N-O 2.94Å; V384-V410 PolarHBondContact O-N 2.94Å
385	F	93.9	Very high	88.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.2	167.6	-63.2	-57.8	0	0	0	110.2	V355 A356 T357 L383 V410 V412 C419 I423 M426 L709 E712 V713	V355-F385 PolarHBondContact O-N 3.46Å; A356-F385 WeakPolarHBondContact CA-O 3.45Å; T357-F385 PolarHBondContact N-O 3.45Å; T357-F385 VanDerWaalsContact N-O 3.09Å; L383-F385 HydrophobicContact CD2-CE1 4.04Å; L383-F385 HydrophobicContact CD2-CE2 4.05Å; L383-F385 HydrophobicContact CD2-CZ 3.49Å; L383-F385 VanDerWaalsContact CD2-CZ 3.49Å; L383-F385 HydrophobicContact CG-CE1 4.24Å; L383-F385 HydrophobicContact CG-CE2 4.4Å; L383-F385 HydrophobicContact CG-CZ 4.02Å; F385-V410 WeakPolarHBondContact CA-O 3.47Å; F385-V410 HydrophobicContact CD1-CB 3.97Å; F385-V410 HydrophobicContact CD1-CG1 4.21Å; F385-V410 HydrophobicContact CE1-CB 4.13Å; F385-V410 HydrophobicContact CE1-CG1 4.22Å; F385-V412 HydrophobicContact CB-CG2 4.32Å; F385-V412 HydrophobicContact CD1-CG2 4.13Å; F385-C419 HydrophobicContact CB-CB 4.17Å; F385-I423 HydrophobicContact CD2-CD1 4Å; F385-I423 HydrophobicContact CD2-CG1 3.93Å; F385-I423 HydrophobicContact CE2-CG1 4.46Å; F385-M426 HydrophobicContact CE2-CE 4.35Å; F385-L709 HydrophobicContact CD1-CD2 4.49Å; F385-L709 HydrophobicContact CD1-CG 4.24Å; F385-L709 HydrophobicContact CD2-CD2 4.29Å; F385-L709 HydrophobicContact CE1-CG 3.92Å; F385-L709 HydrophobicContact CE2-CB 4.5Å; F385-L709 HydrophobicContact CE2-CD2 4.34Å; F385-L709 HydrophobicContact CE2-CG 4.31Å; F385-L709 HydrophobicContact CG-CD2 4.38Å; F385-L709 HydrophobicContact CZ-CB 4.12Å; F385-L709 HydrophobicContact CZ-CD2 4.47Å; F385-L709 HydrophobicContact CZ-CG 3.95Å; F385-E712 HydrophobicContact CE1-CB 4.48Å; F385-E712 HydrophobicContact CE1-CG 4.33Å; F385-V713 HydrophobicContact CE2-CG2 4.3Å; F385-V713 HydrophobicContact CZ-CG2 4.2Å
386	F	92.2	Very high	88.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.4	175.9	67.6	-86.2	0	0	0	110.6	T357 V391 K396 M399 T400 A409 V410 S411 V412	T357-F386 HydrophobicContact CG2-CB 3.74Å; F386-V391 HydrophobicContact CB-CG2 4.46Å; F386-V391 HydrophobicContact CD2-CG2 4.21Å; F386-K396 HydrophobicContact CE2-CG 3.92Å; F386-K396 HydrophobicContact CZ-CG 4.25Å; F386-M399 HydrophobicContact CB-CE 3.9Å; F386-M399 HydrophobicContact CB-SD 4.35Å; F386-M399 HydrophobicContact CD1-CE 3.78Å; F386-M399 HydrophobicContact CD1-SD 4.07Å; F386-M399 HydrophobicContact CD2-CE 3.58Å; F386-M399 HydrophobicContact CE1-CB 4.35Å; F386-M399 HydrophobicContact CE1-CE 4.16Å; F386-M399 HydrophobicContact CE2-CE 3.99Å; F386-M399 HydrophobicContact CG-CE 3.47Å; F386-M399 VanDerWaalsContact CG-CE 3.47Å; F386-M399 HydrophobicContact CG-SD 4.18Å; F386-M399 HydrophobicContact CZ-CE 4.25Å; F386-T400 HydrophobicContact CE1-CG2 4.29Å; F386-T400 HydrophobicContact CZ-CG2 3.67Å; F386-A409 HydrophobicContact CD1-CB 4.45Å; F386-A409 HydrophobicContact CE1-CB 3.93Å; F386-V410 VanDerWaalsContact CD1-O 3.29Å; F386-V410 WeakPolarHBondContact CD1-O 3.18Å; F386-V410 VanDerWaalsContact CE1-C 3.49Å; F386-V410 PolarHBondContact N-O 3.16Å; F386-V410 VanDerWaalsContact N-O 3.08Å; F386-S411 VanDerWaalsContact CZ-CB 3.49Å; F386-S411 CarbonylContact O-C 3.57Å; F386-S411 VanDerWaalsContact O-CA 3.26Å; F386-S411 WeakPolarHBondContact O-CA 3.29Å; F386-V412 PolarHBondContact O-N 3.05Å
387	P	90.2	Very high	88.4	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138.7	178.1	31.8	-35.1	0	0	0	110.1	T357 E389 V391 V412 S414 F416	T357-P387 VanDerWaalsContact O-CD 3.26Å; T357-P387 WeakPolarHBondContact O-CD 3.22Å; P387-E389 VanDerWaalsContact CB-O 3.24Å; P387-E389 WeakPolarHBondContact CB-O 3.38Å; P387-E389 WeakPolarHBondContact CG-O 3.23Å; P387-E389 PolarHBondContact O-N 3.39Å; P387-V391 HydrophobicContact CG-CG2 4Å; P387-V412 CarbonylContact C-O 3.57Å; P387-V412 WeakPolarHBondContact CA-O 3.49Å; P387-S414 WeakPolarHBondContact CB-O 3.36Å; P387-F416 HydrophobicContact CG-CB 4.42Å
388	E	89.1	Confident	88.4	Confident	46 Å²	46	31.1 Å²	31.1	22%	0.215	17%	0.169	C	C	.	.	S	Bend	trans	-59.7	-37.3	177.8	-178	60.3	-140.3	0	0	110.6	K396 S411 V412 L413 A701	E388-K396 WeakPolarHBondContact O-CE 3.44Å; E388-K396 PolarHBondContact O-NZ 2.95Å; E388-K396 IonicContact OE1-NZ 3.11Å; E388-K396 PolarHBondContact OE1-NZ 3.39Å; E388-S411 WeakPolarHBondContact OE2-CB 3.28Å; E388-S411 PolarHBondContact OE2-OG 3.31Å; E388-V412 PolarHBondContact N-O 3.45Å; E388-L413 HydrophobicContact CB-CD2 4.06Å; E388-L413 HydrophobicContact CG-CD2 4.07Å; E388-A701 HydrophobicContact CB-CB 4.2Å; E388-A701 HydrophobicContact CG-CB 4.02Å; E388-A701 WeakPolarHBondContact OE2-CB 3.38Å
389	E	83.3	Confident	88.5	Confident	152 Å²	152	25.8 Å²	25.8	71%	0.71	14%	0.144	S	C	*	.	S	Bend	trans	-105.5	152.2	173.5	-64.5	-60.2	152.8	0	0	111	P387	P387-E389 VanDerWaalsContact CB-O 3.24Å; P387-E389 WeakPolarHBondContact CB-O 3.38Å; P387-E389 WeakPolarHBondContact CG-O 3.23Å; P387-E389 PolarHBondContact O-N 3.39Å
390	G	75.3	Confident	88.4	Confident	71 Å²	71	25.3 Å²	25.3	73%	0.732	15%	0.146	S	C	*	.	S	Bend	trans	88.5	5.4	177.1	0	0	0	0	0	115.7
391	V	82.3	Confident	88	Confident	15 Å²	15	28.3 Å²	28.3	9%	0.091	17%	0.167	C	C	.	.	S	Bend	trans	-110.7	140.2	164.9	-176.7	0	0	0	0	108.5	F386 P387 Q395 M399	F386-V391 HydrophobicContact CB-CG2 4.46Å; F386-V391 HydrophobicContact CD2-CG2 4.21Å; P387-V391 HydrophobicContact CG-CG2 4Å; V391-Q395 HydrophobicContact CG1-CB 3.53Å; V391-M399 HydrophobicContact CG1-CE 3.81Å
392	S	82.7	Confident	87.6	Confident	34 Å²	34	29.6 Å²	29.6	24%	0.238	17%	0.173	C	C	.	.			trans	-63.3	150.3	177	70.7	0	0	0	0	111.4	V394 Q395 K396 K649	S392-V394 PolarHBondContact O-N 3.36Å; S392-Q395 PolarHBondContact O-N 3.38Å; S392-Q395 WeakPolarHBondContact OG-CB 3.33Å; S392-Q395 WeakPolarHBondContact OG-CG 3.36Å; S392-Q395 PolarHBondContact OG-N 2.97Å; S392-Q395 PolarHBondContact OG-OE1 2.72Å; S392-K396 PolarHBondContact O-N 3.49Å; S392-K649 PolarHBondContact OG-O 2.88Å
393	E	83	Confident	86.7	Confident	93 Å²	93	34 Å²	34	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-59.6	-37.4	-179.4	-170	58.6	-157.8	0	0	112.1	Q395 K396 L397 P667	E393-Q395 PolarHBondContact O-N 3.47Å; E393-K396 PolarHBondContact O-N 3.27Å; E393-L397 HydrophobicContact CG-CD1 4.14Å; E393-L397 HydrophobicContact CG-CG 4.49Å; E393-L397 WeakPolarHBondContact O-CB 3Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.41Å; E393-L397 PolarHBondContact O-N 3.13Å; E393-P667 HydrophobicContact CB-CG 3.97Å; E393-P667 HydrophobicContact CG-CG 3.54Å
394	V	86.1	Confident	85.5	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-47.2	174.6	174.2	0	0	0	0	111.4	S392 L397 Q398 P667 L671 M687 L691	S392-V394 PolarHBondContact O-N 3.36Å; V394-L397 PolarHBondContact O-N 3.42Å; V394-Q398 WeakPolarHBondContact O-CG 3.38Å; V394-Q398 PolarHBondContact O-N 3.04Å; V394-P667 HydrophobicContact CG2-CB 3.87Å; V394-L671 HydrophobicContact CG2-CD1 3.97Å; V394-M687 HydrophobicContact CG1-CG 4.12Å; V394-M687 HydrophobicContact CG1-SD 3.6Å; V394-M687 VanDerWaalsContact CG1-SD 3.6Å; V394-L691 HydrophobicContact CG1-CD1 4.42Å; V394-L691 HydrophobicContact CG1-CD2 4.44Å; V394-L691 HydrophobicContact CG2-CD1 4.41Å
395	Q	88.3	Confident	85	Confident	7 Å²	7	43.9 Å²	43.9	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-40.4	178.6	-71.7	162.8	-39	0	0	111.5	D360 V391 S392 E393 L397 Q398 M399	D360-Q395 PolarHBondContact OD1-NE2 3.46Å; V391-Q395 HydrophobicContact CG1-CB 3.53Å; S392-Q395 PolarHBondContact O-N 3.38Å; S392-Q395 WeakPolarHBondContact OG-CB 3.33Å; S392-Q395 WeakPolarHBondContact OG-CG 3.36Å; S392-Q395 PolarHBondContact OG-N 2.97Å; S392-Q395 PolarHBondContact OG-OE1 2.72Å; E393-Q395 PolarHBondContact O-N 3.47Å; Q395-L397 PolarHBondContact O-N 3.27Å; Q395-Q398 PolarHBondContact O-N 3Å; Q395-M399 WeakPolarHBondContact O-CG 3.28Å; Q395-M399 PolarHBondContact O-N 3.27Å
396	K	88.5	Confident	84.8	Confident	25 Å²	25	44.1 Å²	44.1	11%	0.109	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-46.2	174.9	-178.1	-179.6	-71.2	-178.7	0	110.8	F386 E388 S392 E393 M399 T400	F386-K396 HydrophobicContact CE2-CG 3.92Å; F386-K396 HydrophobicContact CZ-CG 4.25Å; E388-K396 WeakPolarHBondContact O-CE 3.44Å; E388-K396 PolarHBondContact O-NZ 2.95Å; E388-K396 IonicContact OE1-NZ 3.11Å; E388-K396 PolarHBondContact OE1-NZ 3.39Å; S392-K396 PolarHBondContact O-N 3.49Å; E393-K396 PolarHBondContact O-N 3.27Å; K396-M399 PolarHBondContact O-N 3.25Å; K396-T400 HydrophobicContact CG-CG2 4.14Å; K396-T400 WeakPolarHBondContact O-CB 3.36Å; K396-T400 VanDerWaalsContact O-CG2 3.3Å; K396-T400 WeakPolarHBondContact O-CG2 3.5Å; K396-T400 PolarHBondContact O-N 3.28Å; K396-T400 PolarHBondContact O-OG1 3.26Å
397	L	86.3	Confident	84.8	Confident	44 Å²	44	44.2 Å²	44.2	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-39.9	176.9	-70.5	170.5	0	0	0	112.4	E393 V394 Q395 M399 S401 P667 L691	E393-L397 HydrophobicContact CG-CD1 4.14Å; E393-L397 HydrophobicContact CG-CG 4.49Å; E393-L397 WeakPolarHBondContact O-CB 3Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.41Å; E393-L397 PolarHBondContact O-N 3.13Å; V394-L397 PolarHBondContact O-N 3.42Å; Q395-L397 PolarHBondContact O-N 3.27Å; L397-M399 VanDerWaalsContact C-N 3.29Å; L397-M399 PolarHBondContact O-N 3.23Å; L397-S401 PolarHBondContact O-N 2.86Å; L397-P667 HydrophobicContact CD1-CB 4.48Å; L397-P667 HydrophobicContact CD1-CG 4.08Å; L397-L691 HydrophobicContact CB-CD2 3.73Å; L397-L691 HydrophobicContact CD1-CD2 3.45Å; L397-L691 VanDerWaalsContact CD1-CD2 3.45Å; L397-L691 HydrophobicContact CG-CD2 4.24Å
398	Q	88.6	Confident	85	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-34.3	173.9	-76.8	-176.4	-38.3	0	0	113.1	T326 V394 Q395 S401 F402	T326-Q398 PolarHBondContact O-NE2 2.83Å; V394-Q398 WeakPolarHBondContact O-CG 3.38Å; V394-Q398 PolarHBondContact O-N 3.04Å; Q395-Q398 PolarHBondContact O-N 3Å; Q398-S401 PolarHBondContact O-OG 3.34Å; Q398-S401 VanDerWaalsContact O-OG 3.05Å; Q398-F402 WeakPolarHBondContact O-CD2 3.36Å; Q398-F402 VanDerWaalsContact O-CE2 3.28Å; Q398-F402 WeakPolarHBondContact O-CE2 3.32Å
399	M	90.1	Very high	85.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-81.2	-48.5	178.7	-69.1	-171.9	-65.9	0	0	111.8	T357 S363 L366 V384 F386 V391 Q395 K396 L397 S401 F402 A409	T357-M399 HydrophobicContact CG2-CE 4.4Å; T357-M399 HydrophobicContact CG2-SD 3.62Å; S363-M399 WeakPolarHBondContact OG-CG 3.48Å; L366-M399 HydrophobicContact CD1-CB 3.98Å; L366-M399 HydrophobicContact CD1-CG 4.03Å; V384-M399 HydrophobicContact CG1-SD 4.23Å; F386-M399 HydrophobicContact CB-CE 3.9Å; F386-M399 HydrophobicContact CB-SD 4.35Å; F386-M399 HydrophobicContact CD1-CE 3.78Å; F386-M399 HydrophobicContact CD1-SD 4.07Å; F386-M399 HydrophobicContact CD2-CE 3.58Å; F386-M399 HydrophobicContact CE1-CB 4.35Å; F386-M399 HydrophobicContact CE1-CE 4.16Å; F386-M399 HydrophobicContact CE2-CE 3.99Å; F386-M399 HydrophobicContact CG-CE 3.47Å; F386-M399 VanDerWaalsContact CG-CE 3.47Å; F386-M399 HydrophobicContact CG-SD 4.18Å; F386-M399 HydrophobicContact CZ-CE 4.25Å; V391-M399 HydrophobicContact CG1-CE 3.81Å; Q395-M399 WeakPolarHBondContact O-CG 3.28Å; Q395-M399 PolarHBondContact O-N 3.27Å; K396-M399 PolarHBondContact O-N 3.25Å; L397-M399 VanDerWaalsContact C-N 3.29Å; L397-M399 PolarHBondContact O-N 3.23Å; M399-S401 PolarHBondContact O-N 3.39Å; M399-S401 VanDerWaalsContact O-N 3.13Å; M399-F402 WeakPolarHBondContact O-CB 3.37Å; M399-F402 WeakPolarHBondContact O-CD2 3.22Å; M399-F402 PolarHBondContact O-N 2.66Å; M399-A409 HydrophobicContact CB-CB 3.82Å; M399-A409 WeakPolarHBondContact O-CB 3.46Å
400	T	87.3	Confident	85.5	Confident	32 Å²	32	36 Å²	36	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-6.8	-175.4	57	0	0	0	0	114	F386 K396 F402 R403	F386-T400 HydrophobicContact CE1-CG2 4.29Å; F386-T400 HydrophobicContact CZ-CG2 3.67Å; K396-T400 HydrophobicContact CG-CG2 4.14Å; K396-T400 WeakPolarHBondContact O-CB 3.36Å; K396-T400 VanDerWaalsContact O-CG2 3.3Å; K396-T400 WeakPolarHBondContact O-CG2 3.5Å; K396-T400 PolarHBondContact O-N 3.28Å; K396-T400 PolarHBondContact O-OG1 3.26Å; T400-F402 PolarHBondContact O-N 2.75Å; T400-R403 VanDerWaalsContact O-CG 3.23Å; T400-R403 WeakPolarHBondContact O-CG 3.34Å; T400-R403 PolarHBondContact O-NE 2.95Å
401	S	84.4	Confident	86.4	Confident	64 Å²	64	33.4 Å²	33.4	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.7	165.7	66.1	0	0	0	0	113.1	L397 Q398 M399	L397-S401 PolarHBondContact O-N 2.86Å; Q398-S401 PolarHBondContact O-OG 3.34Å; Q398-S401 VanDerWaalsContact O-OG 3.05Å; M399-S401 PolarHBondContact O-N 3.39Å; M399-S401 VanDerWaalsContact O-N 3.13Å
402	F	85.3	Confident	86.9	Confident	26 Å²	26	32.7 Å²	32.7	11%	0.114	18%	0.177	C	C	.	.			trans	-97.9	102.1	177.3	-62.3	-82.8	0	0	0	110.4	L366 S370 Q398 M399 T400 A407 R408 A409	L366-F402 HydrophobicContact CB-CB 4.38Å; L366-F402 HydrophobicContact CB-CD1 4.29Å; L366-F402 HydrophobicContact CB-CD2 3.54Å; L366-F402 HydrophobicContact CB-CE1 4.46Å; L366-F402 HydrophobicContact CB-CE2 3.72Å; L366-F402 HydrophobicContact CB-CG 3.82Å; L366-F402 HydrophobicContact CB-CZ 4.19Å; L366-F402 HydrophobicContact CD1-CB 4.38Å; L366-F402 HydrophobicContact CD1-CD2 3.95Å; L366-F402 HydrophobicContact CD1-CG 4.43Å; L366-F402 HydrophobicContact CD2-CB 4.07Å; L366-F402 HydrophobicContact CD2-CG 4.41Å; L366-F402 HydrophobicContact CG-CD2 4.25Å; L366-F402 HydrophobicContact CG-CG 4.45Å; S370-F402 VanDerWaalsContact OG-CE1 3.29Å; S370-F402 WeakPolarHBondContact OG-CE1 3.15Å; Q398-F402 WeakPolarHBondContact O-CD2 3.36Å; Q398-F402 VanDerWaalsContact O-CE2 3.28Å; Q398-F402 WeakPolarHBondContact O-CE2 3.32Å; M399-F402 WeakPolarHBondContact O-CB 3.37Å; M399-F402 WeakPolarHBondContact O-CD2 3.22Å; M399-F402 PolarHBondContact O-N 2.66Å; T400-F402 PolarHBondContact O-N 2.75Å; F402-A407 HydrophobicContact CD1-CB 4.33Å; F402-R408 WeakPolarHBondContact O-CA 3.24Å; F402-A409 PolarHBondContact O-N 2.97Å
403	R	74.8	Confident	87.4	Confident	92 Å²	92	35 Å²	35	35%	0.347	19%	0.187	S	C	.	.			trans	-124.1	-22.2	-172.9	-59.4	-173	179.1	-167.1	0.9	114.8	T400 S697	T400-R403 VanDerWaalsContact O-CG 3.23Å; T400-R403 WeakPolarHBondContact O-CG 3.34Å; T400-R403 PolarHBondContact O-NE 2.95Å; R403-S697 PolarHBondContact NH1-O 3.19Å
404	E	70.6	Confident	87.7	Confident	173 Å²	173	32.5 Å²	32.5	81%	0.808	18%	0.179	S	C	*	.	S	Bend	trans	-140.4	163.1	-169.9	-64.2	-175.3	179	0	0	111.4
405	G	82.6	Confident	87.6	Confident	35 Å²	35	36.6 Å²	36.6	36%	0.361	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-138.3	-173.6	0	0	0	0	0	111.3
406	N	90.1	Very high	87.5	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.027	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.2	-170.9	79.9	-50.9	0	0	0	114.2	F369 R377 T380 G381 V382 M716	F369-N406 PolarHBondContact O-ND2 2.96Å; R377-N406 HydrophobicContact CG-CB 4.03Å; R377-N406 WeakPolarHBondContact O-CB 3.22Å; T380-N406 WeakPolarHBondContact O-CB 3.38Å; T380-N406 PolarHBondContact O-ND2 3.45Å; T380-N406 VanDerWaalsContact O-ND2 3.07Å; G381-N406 CarbonylContact C-O 3.5Å; G381-N406 WeakPolarHBondContact CA-O 3.23Å; V382-N406 PolarHBondContact N-O 2.67Å; N406-M716 WeakPolarHBondContact O-CE 3.38Å
407	A	92.4	Very high	87.2	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.9	-179.8	0	0	0	0	0	110.8	L366 V382 F402	L366-A407 HydrophobicContact CD2-CB 3.95Å; V382-A407 HydrophobicContact CB-CB 4.48Å; V382-A407 WeakPolarHBondContact O-CA 3.42Å; F402-A407 HydrophobicContact CD1-CB 4.33Å
408	R	93.3	Very high	87.2	Confident	6 Å²	6	41.5 Å²	41.5	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.2	-177.2	-172	-175	-57.3	-177.7	2.7	111.3	V382 L383 V384 F402 V410 E712 S715 M716 D719	V382-R408 PolarHBondContact O-N 3.17Å; L383-R408 WeakPolarHBondContact CA-O 3.47Å; L383-R408 HydrophobicContact CD1-CB 3.9Å; L383-R408 HydrophobicContact CD1-CG 4.02Å; V384-R408 PolarHBondContact N-O 2.94Å; F402-R408 WeakPolarHBondContact O-CA 3.24Å; R408-V410 HydrophobicContact CG-CG2 4.01Å; R408-E712 WeakPolarHBondContact CD-OE1 3.48Å; R408-E712 IonicContact CZ-OE1 2.83Å; R408-E712 IonicContact NE-OE1 3.45Å; R408-E712 IonicContact NH1-OE1 2.63Å; R408-E712 PolarHBondContact NH1-OE1 3.38Å; R408-S715 PolarHBondContact NH1-OG 3.11Å; R408-S715 VanDerWaalsContact NH1-OG 3.14Å; R408-M716 HydrophobicContact CB-CE 4.34Å; R408-M716 HydrophobicContact CB-SD 3.74Å; R408-D719 IonicContact CZ-OD2 3.72Å; R408-D719 IonicContact NH1-OD2 2.64Å; R408-D719 IonicContact NH2-OD2 3.83Å; R408-D719 PolarHBondContact NH2-OD2 3.1Å
409	A	92.7	Very high	87.3	Confident	15 Å²	15	41.5 Å²	41.5	12%	0.124	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.2	169.7	0	0	0	0	0	111.1	L366 F386 M399 F402	L366-A409 HydrophobicContact CD1-CB 3.72Å; F386-A409 HydrophobicContact CD1-CB 4.45Å; F386-A409 HydrophobicContact CE1-CB 3.93Å; M399-A409 HydrophobicContact CB-CB 3.82Å; M399-A409 WeakPolarHBondContact O-CB 3.46Å; F402-A409 PolarHBondContact O-N 2.97Å
410	V	91.9	Very high	87.1	Confident	11 Å²	11	44.6 Å²	44.6	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.8	-176.4	-179.1	0	0	0	0	109.7	L383 V384 F385 F386 R408 L702 E712	L383-V410 HydrophobicContact CD1-CG2 3.72Å; V384-V410 PolarHBondContact O-N 2.94Å; F385-V410 WeakPolarHBondContact CA-O 3.47Å; F385-V410 HydrophobicContact CD1-CB 3.97Å; F385-V410 HydrophobicContact CD1-CG1 4.21Å; F385-V410 HydrophobicContact CE1-CB 4.13Å; F385-V410 HydrophobicContact CE1-CG1 4.22Å; F386-V410 VanDerWaalsContact CD1-O 3.29Å; F386-V410 WeakPolarHBondContact CD1-O 3.18Å; F386-V410 VanDerWaalsContact CE1-C 3.49Å; F386-V410 PolarHBondContact N-O 3.16Å; F386-V410 VanDerWaalsContact N-O 3.08Å; R408-V410 HydrophobicContact CG-CG2 4.01Å; V410-L702 HydrophobicContact CG1-CD1 3.29Å; V410-L702 HydrophobicContact CG1-CG 3.58Å; V410-E712 HydrophobicContact CG1-CG 4.36Å; V410-E712 HydrophobicContact CG2-CG 3.87Å
411	S	92.8	Very high	87.1	Confident	15 Å²	15	49.4 Å²	49.4	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.4	174.7	61.9	0	0	0	0	111.7	F386 E388 A701 L702	F386-S411 VanDerWaalsContact CZ-CB 3.49Å; F386-S411 CarbonylContact O-C 3.57Å; F386-S411 VanDerWaalsContact O-CA 3.26Å; F386-S411 WeakPolarHBondContact O-CA 3.29Å; E388-S411 WeakPolarHBondContact OE2-CB 3.28Å; E388-S411 PolarHBondContact OE2-OG 3.31Å; S411-A701 WeakPolarHBondContact OG-CA 3.34Å; S411-A701 WeakPolarHBondContact OG-CB 3.41Å; S411-L702 PolarHBondContact O-N 3.49Å
412	V	93.1	Very high	87.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.2	-177.2	-175.4	0	0	0	0	109.2	F385 F386 P387 E388 S414 F418 A704 L709	F385-V412 HydrophobicContact CB-CG2 4.32Å; F385-V412 HydrophobicContact CD1-CG2 4.13Å; F386-V412 PolarHBondContact O-N 3.05Å; P387-V412 CarbonylContact C-O 3.57Å; P387-V412 WeakPolarHBondContact CA-O 3.49Å; E388-V412 PolarHBondContact N-O 3.45Å; V412-S414 PolarHBondContact O-N 2.93Å; V412-F418 HydrophobicContact CG1-CD1 3.91Å; V412-F418 HydrophobicContact CG1-CE1 3.8Å; V412-A704 HydrophobicContact CG1-CB 4.44Å; V412-L709 HydrophobicContact CG1-CD1 4.28Å; V412-L709 HydrophobicContact CG2-CD1 4.23Å
413	L	92.9	Very high	87.7	Confident	83 Å²	83	46 Å²	46	44%	0.435	24%	0.235	S	C	.	.	S	Bend	trans	-74.1	55.3	177.4	-66.1	171.6	0	0	0	112.2	E388 A701 L702	E388-L413 HydrophobicContact CB-CD2 4.06Å; E388-L413 HydrophobicContact CG-CD2 4.07Å; L413-A701 HydrophobicContact CD1-CB 4.35Å; L413-A701 HydrophobicContact CD2-CB 3.64Å; L413-A701 HydrophobicContact CG-CB 3.67Å; L413-L702 WeakPolarHBondContact CB-O 3.43Å; L413-L702 WeakPolarHBondContact CG-O 3.48Å; L413-L702 PolarHBondContact N-O 3.47Å
414	S	90.1	Very high	88.2	Confident	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.247	S	C	.	.	S	Bend	trans	-152.4	-165.1	-179.3	-154.1	0	0	0	0	111	P387 V412 F418	P387-S414 WeakPolarHBondContact CB-O 3.36Å; V412-S414 PolarHBondContact O-N 2.93Å; S414-F418 WeakPolarHBondContact OG-CB 3.44Å; S414-F418 WeakPolarHBondContact OG-CG 3.3Å
415	D	84.6	Confident	89.1	Confident	92 Å²	92	46.2 Å²	46.2	49%	0.492	23%	0.232	S	C	.	.			trans	-95.5	173.5	173.8	62.8	30	0	0	0	113	D417 F418 C419	D415-D417 VanDerWaalsContact C-N 3.27Å; D415-D417 PolarHBondContact O-N 3.33Å; D415-D417 WeakPolarHBondContact OD1-CB 3.4Å; D415-D417 PolarHBondContact OD1-N 3.37Å; D415-D417 VanDerWaalsContact OD1-N 3.15Å; D415-F418 PolarHBondContact O-N 3.15Å; D415-F418 WeakPolarHBondContact OD1-CB 3.15Å; D415-F418 PolarHBondContact OD1-N 2.99Å; D415-C419 PolarHBondContact O-N 2.95Å; D415-C419 PolarHBondContact O-SG 3.41Å; D415-C419 VanDerWaalsContact O-SG 3.42Å
416	F	84.7	Confident	89.5	Confident	65 Å²	65	44.5 Å²	44.5	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-36.9	176.3	168.5	-104	0	0	0	112.2	A356 T357 P387 F418 C419 Q420	A356-F416 HydrophobicContact CB-CE2 4.07Å; T357-F416 VanDerWaalsContact C-CD2 3.47Å; P387-F416 HydrophobicContact CG-CB 4.42Å; F416-F418 VanDerWaalsContact C-N 3.35Å; F416-F418 PolarHBondContact O-N 2.65Å; F416-C419 WeakPolarHBondContact O-CB 3.41Å; F416-C419 PolarHBondContact O-N 2.61Å; F416-Q420 HydrophobicContact CZ-CB 4.38Å; F416-Q420 PolarHBondContact O-N 2.97Å
417	D	82.1	Confident	89.3	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-42.1	-179	-97.7	24.5	0	0	0	111.5	D415 Q420 K421	D415-D417 VanDerWaalsContact C-N 3.27Å; D415-D417 PolarHBondContact O-N 3.33Å; D415-D417 WeakPolarHBondContact OD1-CB 3.4Å; D415-D417 PolarHBondContact OD1-N 3.37Å; D415-D417 VanDerWaalsContact OD1-N 3.15Å; D417-Q420 PolarHBondContact O-N 3.43Å; D417-K421 VanDerWaalsContact O-CB 3.29Å; D417-K421 WeakPolarHBondContact O-CB 3.41Å; D417-K421 WeakPolarHBondContact O-CD 3.21Å; D417-K421 WeakPolarHBondContact O-CG 3.36Å; D417-K421 PolarHBondContact O-N 3.33Å; D417-K421 IonicContact OD2-NZ 3.68Å
418	F	87.9	Confident	88.9	Confident	46 Å²	46	50.7 Å²	50.7	20%	0.202	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-50.6	173.2	176.1	-91.9	0	0	0	111	V412 S414 D415 F416 Q420 K421 S422 A704 L709	V412-F418 HydrophobicContact CG1-CD1 3.91Å; V412-F418 HydrophobicContact CG1-CE1 3.8Å; S414-F418 WeakPolarHBondContact OG-CB 3.44Å; S414-F418 WeakPolarHBondContact OG-CG 3.3Å; D415-F418 PolarHBondContact O-N 3.15Å; D415-F418 WeakPolarHBondContact OD1-CB 3.15Å; D415-F418 PolarHBondContact OD1-N 2.99Å; F416-F418 VanDerWaalsContact C-N 3.35Å; F416-F418 PolarHBondContact O-N 2.65Å; F418-Q420 VanDerWaalsContact C-N 3.3Å; F418-Q420 PolarHBondContact O-N 3.13Å; F418-K421 PolarHBondContact O-N 3.01Å; F418-S422 WeakPolarHBondContact O-CB 3.32Å; F418-S422 PolarHBondContact O-N 3.48Å; F418-S422 PolarHBondContact O-OG 2.85Å; F418-A704 HydrophobicContact CE1-CB 4.2Å; F418-A704 HydrophobicContact CE2-CB 4.42Å; F418-A704 HydrophobicContact CZ-CB 4.15Å; F418-A704 WeakPolarHBondContact CZ-O 3.46Å; F418-L709 HydrophobicContact CE1-CD1 4.27Å; F418-L709 HydrophobicContact CE1-CD2 3.95Å
419	C	90.6	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-45.6	179	-61.8	0	0	0	0	111.1	A356 F385 D415 F416 I423	A356-C419 HydrophobicContact CB-CB 3.88Å; F385-C419 HydrophobicContact CB-CB 4.17Å; D415-C419 PolarHBondContact O-N 2.95Å; D415-C419 PolarHBondContact O-SG 3.41Å; D415-C419 VanDerWaalsContact O-SG 3.42Å; F416-C419 WeakPolarHBondContact O-CB 3.41Å; F416-C419 PolarHBondContact O-N 2.61Å; C419-I423 WeakPolarHBondContact O-CG1 3.17Å; C419-I423 PolarHBondContact O-N 3.33Å; C419-I423 VanDerWaalsContact O-N 3.11Å
420	Q	86.1	Confident	88.5	Confident	66 Å²	66	57.3 Å²	57.3	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-67.8	-43.4	-179.9	-169.9	-177.8	11.5	0	0	112.5	A356 F416 D417 F418 I423 K424	A356-Q420 HydrophobicContact CB-CB 4.04Å; F416-Q420 HydrophobicContact CZ-CB 4.38Å; F416-Q420 PolarHBondContact O-N 2.97Å; D417-Q420 PolarHBondContact O-N 3.43Å; F418-Q420 VanDerWaalsContact C-N 3.3Å; F418-Q420 PolarHBondContact O-N 3.13Å; Q420-I423 PolarHBondContact O-N 2.9Å; Q420-K424 WeakPolarHBondContact O-CG 3.45Å; Q420-K424 PolarHBondContact O-N 2.96Å
421	K	85.9	Confident	88.5	Confident	132 Å²	132	59.5 Å²	59.5	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-63.9	-41.7	177.6	-74.9	167.6	-171.8	160.4	0	111.3	D417 F418 K424 R425	D417-K421 VanDerWaalsContact O-CB 3.29Å; D417-K421 WeakPolarHBondContact O-CB 3.41Å; D417-K421 WeakPolarHBondContact O-CD 3.21Å; D417-K421 WeakPolarHBondContact O-CG 3.36Å; D417-K421 PolarHBondContact O-N 3.33Å; D417-K421 IonicContact OD2-NZ 3.68Å; F418-K421 PolarHBondContact O-N 3.01Å; K421-K424 PolarHBondContact O-N 2.92Å; K421-R425 WeakPolarHBondContact O-CB 3.25Å; K421-R425 PolarHBondContact O-N 3.24Å
422	S	92.3	Very high	88.3	Confident	7 Å²	7	59.7 Å²	59.7	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-47.6	177.1	-67.6	0	0	0	0	111.6	F418 K424 R425 M426	F418-S422 WeakPolarHBondContact O-CB 3.32Å; F418-S422 PolarHBondContact O-N 3.48Å; F418-S422 PolarHBondContact O-OG 2.85Å; S422-K424 PolarHBondContact O-N 3.47Å; S422-R425 WeakPolarHBondContact O-CB 3.23Å; S422-R425 PolarHBondContact O-N 2.81Å; S422-M426 WeakPolarHBondContact O-CG 3.29Å; S422-M426 PolarHBondContact O-N 2.83Å
423	I	90.1	Very high	88.1	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-50	174	-69.1	177.9	0	0	0	110.6	L354 A356 F385 C419 Q420 R425 M426 F427	L354-I423 HydrophobicContact CB-CD1 4.16Å; L354-I423 HydrophobicContact CB-CG1 4.37Å; L354-I423 HydrophobicContact CB-CG2 4.03Å; A356-I423 HydrophobicContact CB-CD1 3.75Å; F385-I423 HydrophobicContact CD2-CD1 4Å; F385-I423 HydrophobicContact CD2-CG1 3.93Å; F385-I423 HydrophobicContact CE2-CG1 4.46Å; C419-I423 WeakPolarHBondContact O-CG1 3.17Å; C419-I423 PolarHBondContact O-N 3.33Å; C419-I423 VanDerWaalsContact O-N 3.11Å; Q420-I423 PolarHBondContact O-N 2.9Å; I423-R425 PolarHBondContact O-N 3.36Å; I423-M426 WeakPolarHBondContact O-CB 3.49Å; I423-M426 PolarHBondContact O-N 2.63Å; I423-F427 HydrophobicContact CG2-CD2 3.75Å; I423-F427 HydrophobicContact CG2-CE2 3.61Å; I423-F427 VanDerWaalsContact O-CD2 3.31Å; I423-F427 WeakPolarHBondContact O-CD2 3.46Å; I423-F427 PolarHBondContact O-N 3.16Å; I423-F427 VanDerWaalsContact O-N 3.11Å
424	K	85.1	Confident	88	Confident	135 Å²	135	59.5 Å²	59.5	59%	0.587	33%	0.333	S	S	*	.	H	α-helix	trans	-56.1	-37.9	178.8	-75.8	178.4	179.9	176.5	0	112.6	Q420 K421 S422 F427 G428	Q420-K424 WeakPolarHBondContact O-CG 3.45Å; Q420-K424 PolarHBondContact O-N 2.96Å; K421-K424 PolarHBondContact O-N 2.92Å; S422-K424 PolarHBondContact O-N 3.47Å; K424-F427 PolarHBondContact O-N 3.47Å; K424-G428 PolarHBondContact O-N 3.46Å
425	R	90.3	Very high	88.1	Confident	133 Å²	133	61.1 Å²	61.1	50%	0.502	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-45.1	175.2	-178.1	178.7	169.4	-169.6	-7.2	111.6	K421 S422 I423 F427 G428 E429 Y706	K421-R425 WeakPolarHBondContact O-CB 3.25Å; K421-R425 PolarHBondContact O-N 3.24Å; S422-R425 WeakPolarHBondContact O-CB 3.23Å; S422-R425 PolarHBondContact O-N 2.81Å; I423-R425 PolarHBondContact O-N 3.36Å; R425-F427 VanDerWaalsContact C-N 3.27Å; R425-F427 PolarHBondContact O-N 3.48Å; R425-G428 PolarHBondContact O-N 2.89Å; R425-E429 HydrophobicContact CG-CG 4.34Å; R425-E429 IonicContact CZ-OE1 3.82Å; R425-E429 VanDerWaalsContact CZ-OE1 3.28Å; R425-E429 IonicContact NE-OE1 3.62Å; R425-E429 PolarHBondContact NE-OE1 2.93Å; R425-E429 IonicContact NH2-OE1 2.73Å; R425-E429 PolarHBondContact NH2-OE1 3.09Å; R425-E429 WeakPolarHBondContact O-CG 3.41Å; R425-E429 PolarHBondContact O-N 3.21Å; R425-Y706 HydrophobicContact CB-CE2 3.88Å; R425-Y706 HydrophobicContact CG-CE2 3.76Å; R425-Y706 VanDerWaalsContact CZ-CD1 3.48Å
426	M	91.6	Very high	88.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-40.5	176	-65.7	165.3	172.7	0	0	112.2	L354 F385 S422 I423 G428 L432 L444 Y706 L709 V710 V713	L354-M426 HydrophobicContact CD1-SD 3.89Å; F385-M426 HydrophobicContact CE2-CE 4.35Å; S422-M426 WeakPolarHBondContact O-CG 3.29Å; S422-M426 PolarHBondContact O-N 2.83Å; I423-M426 WeakPolarHBondContact O-CB 3.49Å; I423-M426 PolarHBondContact O-N 2.63Å; M426-G428 VanDerWaalsContact C-N 3.33Å; M426-G428 PolarHBondContact O-N 2.84Å; M426-L432 HydrophobicContact CB-CD2 3.89Å; M426-L432 HydrophobicContact CG-CD2 3.92Å; M426-L444 HydrophobicContact CB-CD1 4.37Å; M426-Y706 WeakPolarHBondContact CA-OH 3.26Å; M426-Y706 HydrophobicContact CE-CE2 4.35Å; M426-Y706 HydrophobicContact CG-CE2 3.79Å; M426-Y706 WeakPolarHBondContact CG-OH 3.42Å; M426-Y706 PolarHBondContact N-OH 3.36Å; M426-L709 HydrophobicContact CE-CB 3.68Å; M426-V710 HydrophobicContact CE-CG2 3.76Å; M426-V710 HydrophobicContact CG-CG2 4.37Å; M426-V713 HydrophobicContact CE-CG2 3.99Å; M426-V713 HydrophobicContact SD-CG2 4.03Å
427	F	85.8	Confident	88.6	Confident	72 Å²	72	56 Å²	56	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-32	175.8	-84.1	-89.2	0	0	0	113.4	L354 I423 K424 R425 L444 S445 T446	L354-F427 HydrophobicContact CB-CE2 4.25Å; L354-F427 HydrophobicContact CD1-CE2 4.26Å; I423-F427 HydrophobicContact CG2-CD2 3.75Å; I423-F427 HydrophobicContact CG2-CE2 3.61Å; I423-F427 VanDerWaalsContact O-CD2 3.31Å; I423-F427 WeakPolarHBondContact O-CD2 3.46Å; I423-F427 PolarHBondContact O-N 3.16Å; I423-F427 VanDerWaalsContact O-N 3.11Å; K424-F427 PolarHBondContact O-N 3.47Å; R425-F427 VanDerWaalsContact C-N 3.27Å; R425-F427 PolarHBondContact O-N 3.48Å; F427-L444 HydrophobicContact CD1-CB 4.3Å; F427-L444 HydrophobicContact CE1-CB 3.69Å; F427-L444 WeakPolarHBondContact CE1-O 2.91Å; F427-L444 HydrophobicContact CE2-CB 4.41Å; F427-L444 HydrophobicContact CZ-CB 3.72Å; F427-S445 WeakPolarHBondContact CZ-O 3.45Å; F427-T446 HydrophobicContact CE1-CG2 4.06Å; F427-T446 HydrophobicContact CE2-CG2 4.03Å; F427-T446 HydrophobicContact CZ-CG2 3.61Å
428	G	82.9	Confident	89	Confident	64 Å²	64	58.2 Å²	58.2	66%	0.66	33%	0.334	S	S	*	.	H	α-helix	trans	-85.1	-14.2	-179.7	0	0	0	0	0	114.6	K424 R425 M426 S430	K424-G428 PolarHBondContact O-N 3.46Å; R425-G428 PolarHBondContact O-N 2.89Å; M426-G428 VanDerWaalsContact C-N 3.33Å; M426-G428 PolarHBondContact O-N 2.84Å; G428-S430 PolarHBondContact O-N 3.16Å
429	E	89.9	Confident	89	Confident	57 Å²	57	61.8 Å²	61.8	27%	0.266	35%	0.352	S	S	.	.			trans	-85.5	98.8	-179.3	-77.2	-178.4	176.5	0	0	111	R425 G431 L432 T433 Y706	R425-E429 HydrophobicContact CG-CG 4.34Å; R425-E429 IonicContact CZ-OE1 3.82Å; R425-E429 VanDerWaalsContact CZ-OE1 3.28Å; R425-E429 IonicContact NE-OE1 3.62Å; R425-E429 PolarHBondContact NE-OE1 2.93Å; R425-E429 IonicContact NH2-OE1 2.73Å; R425-E429 PolarHBondContact NH2-OE1 3.09Å; R425-E429 WeakPolarHBondContact O-CG 3.41Å; R425-E429 PolarHBondContact O-N 3.21Å; E429-G431 PolarHBondContact O-N 3.26Å; E429-L432 HydrophobicContact CB-CB 4.08Å; E429-L432 PolarHBondContact O-N 3.29Å; E429-T433 PolarHBondContact O-N 2.98Å; E429-T433 PolarHBondContact O-OG1 2.56Å; E429-Y706 WeakPolarHBondContact OE2-CE1 3.45Å; E429-Y706 PolarHBondContact OE2-OH 3.19Å
430	S	87.8	Confident	88.8	Confident	104 Å²	104	63.2 Å²	63.2	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-58.4	-32.6	177.9	56.9	0	0	0	0	113.4	G428 T433 G434	G428-S430 PolarHBondContact O-N 3.16Å; S430-T433 VanDerWaalsContact CA-OG1 3.28Å; S430-T433 WeakPolarHBondContact CA-OG1 3.44Å; S430-T433 PolarHBondContact O-OG1 2.71Å; S430-G434 PolarHBondContact O-N 2.98Å
431	G	91.9	Very high	88.9	Confident	57 Å²	57	61.6 Å²	61.6	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-46.3	175.9	0	0	0	0	0	112.8	E429 H435	E429-G431 PolarHBondContact O-N 3.26Å; G431-H435 WeakPolarHBondContact O-CB 3.26Å; G431-H435 PolarHBondContact O-N 2.93Å
432	L	89.4	Confident	89.1	Confident	19 Å²	19	55.4 Å²	55.4	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-53.9	177.3	177.6	61.6	0	0	0	110.4	M426 E429 G434 H435 L436 V710	M426-L432 HydrophobicContact CB-CD2 3.89Å; M426-L432 HydrophobicContact CG-CD2 3.92Å; E429-L432 HydrophobicContact CB-CB 4.08Å; E429-L432 PolarHBondContact O-N 3.29Å; L432-G434 VanDerWaalsContact C-N 3.29Å; L432-G434 PolarHBondContact O-N 3.5Å; L432-H435 WeakPolarHBondContact O-CB 3.37Å; L432-H435 PolarHBondContact O-N 2.86Å; L432-H435 VanDerWaalsContact O-N 3.1Å; L432-L436 HydrophobicContact CD1-CD1 4.29Å; L432-L436 HydrophobicContact CD1-CD2 4.23Å; L432-L436 HydrophobicContact CD1-CG 4.11Å; L432-L436 HydrophobicContact CG-CD1 4.26Å; L432-L436 HydrophobicContact CG-CG 4.38Å; L432-L436 VanDerWaalsContact O-CG 3.31Å; L432-L436 WeakPolarHBondContact O-CG 3.33Å; L432-L436 PolarHBondContact O-N 3.36Å; L432-V710 HydrophobicContact CD1-CG1 3.82Å; L432-V710 HydrophobicContact CD2-CG1 4.35Å; L432-V710 HydrophobicContact CD2-CG2 4.16Å
433	T	88.8	Confident	89.1	Confident	45 Å²	45	58.2 Å²	58.2	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-39.4	-179.7	50	0	0	0	0	112.8	E429 S430 L436 A437 L444	E429-T433 PolarHBondContact O-N 2.98Å; E429-T433 PolarHBondContact O-OG1 2.56Å; S430-T433 VanDerWaalsContact CA-OG1 3.28Å; S430-T433 WeakPolarHBondContact CA-OG1 3.44Å; S430-T433 PolarHBondContact O-OG1 2.71Å; T433-L436 PolarHBondContact O-N 3.02Å; T433-A437 WeakPolarHBondContact O-CB 3.31Å; T433-A437 PolarHBondContact O-N 3.13Å; T433-L444 HydrophobicContact CG2-CD1 4.22Å
434	G	90.3	Very high	89.1	Confident	34 Å²	34	58.4 Å²	58.4	35%	0.351	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-44	173.5	0	0	0	0	0	113	S430 L432 A437 V438	S430-G434 PolarHBondContact O-N 2.98Å; L432-G434 VanDerWaalsContact C-N 3.29Å; L432-G434 PolarHBondContact O-N 3.5Å; G434-A437 PolarHBondContact O-N 3.31Å; G434-V438 WeakPolarHBondContact O-CG2 3.4Å; G434-V438 PolarHBondContact O-N 2.89Å
435	H	91.7	Very high	89.3	Confident	73 Å²	73	52.5 Å²	52.5	34%	0.338	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-47.5	174.2	174.4	70.6	0	0	0	111.6	G431 L432 A437 V438 E439 E714	G431-H435 WeakPolarHBondContact O-CB 3.26Å; G431-H435 PolarHBondContact O-N 2.93Å; L432-H435 WeakPolarHBondContact O-CB 3.37Å; L432-H435 PolarHBondContact O-N 2.86Å; L432-H435 VanDerWaalsContact O-N 3.1Å; H435-A437 VanDerWaalsContact C-N 3.32Å; H435-A437 PolarHBondContact O-N 3Å; H435-V438 PolarHBondContact O-N 3.09Å; H435-E439 WeakPolarHBondContact CE1-CG 3.49Å; H435-E439 WeakPolarHBondContact ND1-CG 3.47Å; H435-E439 WeakPolarHBondContact O-CB 3.44Å; H435-E439 PolarHBondContact O-N 2.86Å; H435-E714 IonicContact CD2-OE1 3.78Å; H435-E714 IonicContact NE2-OE1 3.69Å
436	L	90.1	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-38.1	179.7	-63.4	-171.9	0	0	0	112.8	L432 T433 Y440 G441 T442 L444 V713 E714 M717	L432-L436 HydrophobicContact CD1-CD1 4.29Å; L432-L436 HydrophobicContact CD1-CD2 4.23Å; L432-L436 HydrophobicContact CD1-CG 4.11Å; L432-L436 HydrophobicContact CG-CD1 4.26Å; L432-L436 HydrophobicContact CG-CG 4.38Å; L432-L436 VanDerWaalsContact O-CG 3.31Å; L432-L436 WeakPolarHBondContact O-CG 3.33Å; L432-L436 PolarHBondContact O-N 3.36Å; T433-L436 PolarHBondContact O-N 3.02Å; L436-Y440 HydrophobicContact CD2-CD2 4.09Å; L436-Y440 HydrophobicContact CD2-CE2 4.19Å; L436-Y440 WeakPolarHBondContact O-CB 3.38Å; L436-Y440 PolarHBondContact O-N 2.84Å; L436-G441 PolarHBondContact O-N 3.1Å; L436-T442 CarbonylContact C-O 3.49Å; L436-T442 PolarHBondContact O-N 2.92Å; L436-L444 HydrophobicContact CD1-CD1 4Å; L436-L444 HydrophobicContact CD1-CD2 3.68Å; L436-L444 HydrophobicContact CD1-CG 3.9Å; L436-V713 HydrophobicContact CD1-CG1 4.24Å; L436-E714 HydrophobicContact CD2-CG 4.43Å; L436-M717 HydrophobicContact CB-CE 3.88Å; L436-M717 HydrophobicContact CD1-CE 4.09Å; L436-M717 HydrophobicContact CD1-SD 4.06Å; L436-M717 HydrophobicContact CD2-CE 3.8Å; L436-M717 HydrophobicContact CD2-SD 3.57Å; L436-M717 VanDerWaalsContact CD2-SD 3.57Å; L436-M717 HydrophobicContact CG-CE 4.1Å; L436-M717 HydrophobicContact CG-SD 4.27Å
437	A	90	Very high	88.5	Confident	49 Å²	49	47.8 Å²	47.8	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-41.3	176.6	0	0	0	0	0	112.2	T433 G434 H435 G441 T442	T433-A437 WeakPolarHBondContact O-CB 3.31Å; T433-A437 PolarHBondContact O-N 3.13Å; G434-A437 PolarHBondContact O-N 3.31Å; H435-A437 VanDerWaalsContact C-N 3.32Å; H435-A437 PolarHBondContact O-N 3Å; A437-G441 VanDerWaalsContact O-CA 3.23Å; A437-G441 WeakPolarHBondContact O-CA 3.45Å; A437-G441 PolarHBondContact O-N 2.82Å; A437-G441 VanDerWaalsContact O-N 3.16Å; A437-T442 PolarHBondContact N-O 3.44Å
438	V	89.8	Confident	88.1	Confident	117 Å²	117	47.1 Å²	47.1	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-76.6	-47.8	-176.8	172.6	0	0	0	0	112.2	G434 H435	G434-V438 WeakPolarHBondContact O-CG2 3.4Å; G434-V438 PolarHBondContact O-N 2.89Å; H435-V438 PolarHBondContact O-N 3.09Å
439	E	88.4	Confident	87.9	Confident	120 Å²	120	45.3 Å²	45.3	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-80.8	-33.2	-173.6	-64.9	-60.5	148.4	0	0	113	H435	H435-E439 WeakPolarHBondContact CE1-CG 3.49Å; H435-E439 WeakPolarHBondContact ND1-CG 3.47Å; H435-E439 WeakPolarHBondContact O-CB 3.44Å; H435-E439 PolarHBondContact O-N 2.86Å
440	Y	86.6	Confident	87.7	Confident	30 Å²	30	44 Å²	44	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-119.9	0.4	-171.9	-55.4	-86.6	0	0	0	113.8	N350 L436 T442 M717 Q718 L722	N350-Y440 PolarHBondContact ND2-O 3.08Å; L436-Y440 HydrophobicContact CD2-CD2 4.09Å; L436-Y440 HydrophobicContact CD2-CE2 4.19Å; L436-Y440 WeakPolarHBondContact O-CB 3.38Å; L436-Y440 PolarHBondContact O-N 2.84Å; Y440-T442 WeakPolarHBondContact CB-OG1 3.37Å; Y440-T442 PolarHBondContact O-N 2.87Å; Y440-T442 VanDerWaalsContact O-N 3.13Å; Y440-T442 PolarHBondContact O-OG1 3.18Å; Y440-M717 HydrophobicContact CD1-CB 4.08Å; Y440-M717 HydrophobicContact CD2-CE 4.05Å; Y440-M717 HydrophobicContact CD2-SD 4.45Å; Y440-M717 HydrophobicContact CE1-CB 4.37Å; Y440-M717 HydrophobicContact CG-CB 4.37Å; Y440-M717 HydrophobicContact CG-CE 3.99Å; Y440-Q718 HydrophobicContact CE1-CG 4.01Å; Y440-L722 HydrophobicContact CD1-CD1 3.68Å; Y440-L722 HydrophobicContact CD1-CG 4.23Å; Y440-L722 HydrophobicContact CE1-CD1 3.58Å
441	G	89.2	Confident	87.9	Confident	33 Å²	33	39.1 Å²	39.1	34%	0.34	25%	0.249	S	C	.	.			trans	56.7	28.9	-174.6	0	0	0	0	0	112.9	N350 L436 A437	N350-G441 PolarHBondContact N-O 3Å; L436-G441 PolarHBondContact O-N 3.1Å; A437-G441 VanDerWaalsContact O-CA 3.23Å; A437-G441 WeakPolarHBondContact O-CA 3.45Å; A437-G441 PolarHBondContact O-N 2.82Å; A437-G441 VanDerWaalsContact O-N 3.16Å
442	T	90.1	Very high	88	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.5	-166.3	-57.8	0	0	0	0	112.7	N350 L352 L436 A437 Y440 M717 F721	N350-T442 HydrophobicContact CB-CG2 4.24Å; N350-T442 WeakPolarHBondContact CB-OG1 3.43Å; N350-T442 CarbonylContact O-C 3.55Å; N350-T442 VanDerWaalsContact O-CA 3.28Å; N350-T442 WeakPolarHBondContact O-CA 3.19Å; L352-T442 HydrophobicContact CB-CG2 3.9Å; L436-T442 CarbonylContact C-O 3.49Å; L436-T442 PolarHBondContact O-N 2.92Å; A437-T442 PolarHBondContact N-O 3.44Å; Y440-T442 WeakPolarHBondContact CB-OG1 3.37Å; Y440-T442 PolarHBondContact O-N 2.87Å; Y440-T442 VanDerWaalsContact O-N 3.13Å; Y440-T442 PolarHBondContact O-OG1 3.18Å; T442-M717 HydrophobicContact CG2-CE 3.32Å; T442-M717 WeakPolarHBondContact OG1-CE 3.36Å; T442-F721 HydrophobicContact CG2-CE2 3.88Å
443	V	91.1	Very high	88.3	Confident	66 Å²	66	35.7 Å²	35.7	40%	0.4	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.1	173.1	-177.5	0	0	0	0	109.7	N350 F351 L352	N350-V443 PolarHBondContact O-N 3.47Å; F351-V443 WeakPolarHBondContact CA-O 3.22Å; F351-V443 HydrophobicContact CD1-CB 4.05Å; F351-V443 HydrophobicContact CD1-CG1 4.35Å; F351-V443 HydrophobicContact CE1-CB 3.83Å; F351-V443 HydrophobicContact CE1-CG1 3.92Å; F351-V443 HydrophobicContact CZ-CB 4.19Å; F351-V443 HydrophobicContact CZ-CG2 4.47Å; L352-V443 PolarHBondContact N-O 3.28Å
444	L	89.6	Confident	88.5	Confident	17 Å²	17	34.2 Å²	34.2	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.5	172.1	-62.3	-174.8	0	0	0	110.1	L352 L354 M426 F427 T433 L436	L352-L444 HydrophobicContact CB-CD2 4.03Å; L352-L444 HydrophobicContact CD2-CD2 3.96Å; L352-L444 HydrophobicContact CG-CD2 4.36Å; L354-L444 HydrophobicContact CD1-CD1 4.09Å; L354-L444 HydrophobicContact CD1-CD2 4.01Å; L354-L444 HydrophobicContact CG-CD2 4.34Å; M426-L444 HydrophobicContact CB-CD1 4.37Å; F427-L444 HydrophobicContact CD1-CB 4.3Å; F427-L444 HydrophobicContact CE1-CB 3.69Å; F427-L444 WeakPolarHBondContact CE1-O 2.91Å; F427-L444 HydrophobicContact CE2-CB 4.41Å; F427-L444 HydrophobicContact CZ-CB 3.72Å; T433-L444 HydrophobicContact CG2-CD1 4.22Å; L436-L444 HydrophobicContact CD1-CD1 4Å; L436-L444 HydrophobicContact CD1-CD2 3.68Å; L436-L444 HydrophobicContact CD1-CG 3.9Å
445	S	89.8	Confident	88.8	Confident	10 Å²	10	32.6 Å²	32.6	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	173	172.7	-174.3	0	0	0	0	111.6	L352 I353 L354 F427	L352-S445 PolarHBondContact O-N 3.14Å; I353-S445 CarbonylContact C-O 3.54Å; I353-S445 VanDerWaalsContact CA-O 3.3Å; I353-S445 WeakPolarHBondContact CA-O 3.46Å; L354-S445 PolarHBondContact N-O 3.34Å; F427-S445 WeakPolarHBondContact CZ-O 3.45Å
446	T	83.5	Confident	89.1	Confident	34 Å²	34	29.3 Å²	29.3	21%	0.209	17%	0.174	C	C	.	.			trans	-129.8	145.4	-176	106.9	0	0	0	0	110.5	F427 N448	F427-T446 HydrophobicContact CE1-CG2 4.06Å; F427-T446 HydrophobicContact CE2-CG2 4.03Å; F427-T446 HydrophobicContact CZ-CG2 3.61Å; T446-N448 WeakPolarHBondContact OG1-CB 3.18Å; T446-N448 PolarHBondContact OG1-N 3.11Å; T446-N448 PolarHBondContact OG1-ND2 3.43Å; T446-N448 VanDerWaalsContact OG1-ND2 3.14Å
447	A	81.4	Confident	89.4	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.			trans	-101.6	41.6	172.2	0	0	0	0	0	112.9	M337 I353 V355 V365 F369 R454	M337-A447 HydrophobicContact CE-CB 4.17Å; M337-A447 HydrophobicContact SD-CB 4.45Å; I353-A447 HydrophobicContact CG2-CB 3.69Å; V355-A447 HydrophobicContact CG2-CB 4.14Å; V365-A447 HydrophobicContact CG1-CB 3.96Å; V365-A447 HydrophobicContact CG2-CB 3.73Å; F369-A447 HydrophobicContact CE2-CB 4.02Å; A447-R454 PolarHBondContact O-NH1 2.89Å
448	N	78.3	Confident	89.8	Confident	58 Å²	58	27.6 Å²	27.6	31%	0.31	16%	0.158	S	C	.	.			trans	-78.3	164.1	-175.1	-69.3	-20.2	0	0	0	113.6	T446 I450 N451	T446-N448 WeakPolarHBondContact OG1-CB 3.18Å; T446-N448 PolarHBondContact OG1-N 3.11Å; T446-N448 PolarHBondContact OG1-ND2 3.43Å; T446-N448 VanDerWaalsContact OG1-ND2 3.14Å; N448-I450 HydrophobicContact CB-CG1 4.03Å; N448-I450 PolarHBondContact O-N 3.43Å; N448-N451 PolarHBondContact O-N 2.87Å
449	S	78.1	Confident	90.2	Very high	27 Å²	27	22.2 Å²	22.2	19%	0.189	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.9	-177.6	55.9	0	0	0	0	114.9	S549 N550	S449-S549 PolarHBondContact OG-OG 3.46Å; S449-N550 PolarHBondContact O-ND2 2.84Å
450	I	85.6	Confident	90.7	Very high	30 Å²	30	16.6 Å²	16.6	15%	0.154	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.4	176.5	57.1	165.4	0	0	0	112.6	L238 L244 N448 W452 R553	L238-I450 HydrophobicContact CB-CD1 3.88Å; L238-I450 HydrophobicContact CD1-CD1 3.69Å; L238-I450 HydrophobicContact CG-CD1 4.28Å; L244-I450 HydrophobicContact CD2-CB 3.74Å; L244-I450 HydrophobicContact CD2-CG2 3.79Å; N448-I450 HydrophobicContact CB-CG1 4.03Å; N448-I450 PolarHBondContact O-N 3.43Å; I450-W452 PolarHBondContact O-N 3Å; I450-R553 VanDerWaalsContact O-CZ 3.3Å; I450-R553 PolarHBondContact O-NH1 3.34Å; I450-R553 PolarHBondContact O-NH2 3.22Å
451	N	92.1	Very high	91.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.094	C	C	.	.	S	Bend	trans	-63.7	134.3	-176.8	-172.5	-62.3	0	0	0	110.4	V234 M337 N448 A453 R454 L455	V234-N451 PolarHBondContact O-ND2 2.96Å; M337-N451 HydrophobicContact CE-CB 4.01Å; N448-N451 PolarHBondContact O-N 2.87Å; N451-A453 VanDerWaalsContact C-N 3.3Å; N451-A453 PolarHBondContact O-N 3.49Å; N451-A453 VanDerWaalsContact OD1-CB 3.3Å; N451-A453 WeakPolarHBondContact OD1-CB 3.38Å; N451-A453 PolarHBondContact OD1-N 3.03Å; N451-R454 WeakPolarHBondContact O-CB 3.33Å; N451-R454 PolarHBondContact O-N 2.88Å; N451-L455 PolarHBondContact O-N 2.87Å
452	W	95	Very high	91.7	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.011	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-39.4	-177.8	-172.7	-115.4	0	0	0	112.7	Y213 F230 V233 P247 F251 I450 R454 L455 L456 Y498	Y213-W452 AromaticContact CE1-CD1 3.65Å; Y213-W452 HydrophobicContact CE1-CD2 4.09Å; Y213-W452 AromaticContact CE1-CE2 3.68Å; Y213-W452 HydrophobicContact CE1-CG 4.11Å; Y213-W452 HydrophobicContact CE1-CZ2 4.23Å; Y213-W452 AromaticContact CE1-NE1 3.37Å; Y213-W452 AromaticContact CZ-CD1 3.94Å; Y213-W452 AromaticContact CZ-NE1 3.63Å; Y213-W452 PolarHBondContact OH-NE1 3.31Å; Y213-W452 VanDerWaalsContact OH-NE1 3.1Å; F230-W452 AromaticContact CD2-CD1 3.93Å; F230-W452 AromaticContact CE2-CD1 3.73Å; V233-W452 HydrophobicContact CG2-CB 4Å; V233-W452 HydrophobicContact CG2-CG 4.26Å; P247-W452 VanDerWaalsContact CD-CH2 3.42Å; P247-W452 HydrophobicContact CG-CH2 4.16Å; P247-W452 HydrophobicContact CG-CZ2 4.08Å; F251-W452 AromaticContact CE2-CH2 3.59Å; F251-W452 HydrophobicContact CE2-CH2 3.59Å; F251-W452 AromaticContact CE2-CZ2 3.96Å; F251-W452 HydrophobicContact CE2-CZ2 3.96Å; F251-W452 AromaticContact CZ-CH2 3.55Å; F251-W452 HydrophobicContact CZ-CH2 3.55Å; F251-W452 AromaticContact CZ-CZ2 3.62Å; F251-W452 HydrophobicContact CZ-CZ2 3.62Å; I450-W452 PolarHBondContact O-N 3Å; W452-R454 PolarHBondContact O-N 3Å; W452-R454 VanDerWaalsContact O-N 3.13Å; W452-L455 HydrophobicContact CH2-CD2 4.49Å; W452-L455 HydrophobicContact CZ3-CD2 4.21Å; W452-L455 PolarHBondContact O-N 3.48Å; W452-L456 PolarHBondContact O-N 2.74Å; W452-Y498 AromaticContact CH2-CE2 3.86Å; W452-Y498 HydrophobicContact CH2-CE2 3.86Å; W452-Y498 HydrophobicContact CZ3-CE2 4.01Å
453	A	94.6	Very high	92.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-67.1	-11.8	176.9	0	0	0	0	0	113.5	V234 M337 L340 N451 P457	V234-A453 HydrophobicContact CG1-CB 4.11Å; V234-A453 HydrophobicContact CG2-CB 3.91Å; M337-A453 HydrophobicContact CB-CB 4.43Å; M337-A453 HydrophobicContact CG-CB 3.97Å; L340-A453 HydrophobicContact CD1-CB 4.36Å; N451-A453 VanDerWaalsContact C-N 3.3Å; N451-A453 PolarHBondContact O-N 3.49Å; N451-A453 VanDerWaalsContact OD1-CB 3.3Å; N451-A453 WeakPolarHBondContact OD1-CB 3.38Å; N451-A453 PolarHBondContact OD1-N 3.03Å; A453-P457 WeakPolarHBondContact O-CD 3.23Å; A453-P457 VanDerWaalsContact O-CG 3.25Å; A453-P457 WeakPolarHBondContact O-CG 3.49Å
454	R	94.1	Very high	92.5	Very high	14 Å²	14	10.8 Å²	10.8	5%	0.053	6%	0.06	C	C	.	.	H	α-helix	trans	-92.6	-27.6	170.4	-170.4	166.6	166.6	-171.3	-0.1	112.7	A333 M337 T361 A447 N451 W452 Q458	A333-R454 HydrophobicContact CB-CG 3.89Å; A333-R454 WeakPolarHBondContact CB-O 3.3Å; M337-R454 HydrophobicContact SD-CB 3.99Å; T361-R454 PolarHBondContact OG1-NH2 3.3Å; A447-R454 PolarHBondContact O-NH1 2.89Å; N451-R454 WeakPolarHBondContact O-CB 3.33Å; N451-R454 PolarHBondContact O-N 2.88Å; W452-R454 PolarHBondContact O-N 3Å; W452-R454 VanDerWaalsContact O-N 3.13Å; R454-Q458 WeakPolarHBondContact O-CG 3.39Å; R454-Q458 PolarHBondContact O-NE2 3.45Å
455	L	96	Very high	92.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-82.5	-50.2	179	-170.2	156.6	0	0	0	111.1	N451 W452 Q458 M494 Y498 N550	N451-L455 PolarHBondContact O-N 2.87Å; W452-L455 HydrophobicContact CH2-CD2 4.49Å; W452-L455 HydrophobicContact CZ3-CD2 4.21Å; W452-L455 PolarHBondContact O-N 3.48Å; L455-Q458 WeakPolarHBondContact O-CB 3.42Å; L455-Q458 PolarHBondContact O-N 3.02Å; L455-M494 HydrophobicContact CD1-CB 4.29Å; L455-M494 HydrophobicContact CD1-CG 4.22Å; L455-Y498 HydrophobicContact CD1-CE2 4.22Å; L455-Y498 HydrophobicContact CD2-CD2 3.46Å; L455-Y498 VanDerWaalsContact CD2-CD2 3.46Å; L455-Y498 HydrophobicContact CD2-CE2 3.43Å; L455-Y498 VanDerWaalsContact CD2-CE2 3.43Å; L455-N550 WeakPolarHBondContact CD1-OD1 3.4Å
456	L	97.1	Very high	93.4	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-55.9	-44	-171.1	180	62.7	0	0	0	114	F230 F251 L275 C278 I279 W452 Q458 V459	F230-L456 HydrophobicContact CE2-CD2 4.16Å; F251-L456 HydrophobicContact CE1-CD1 3.84Å; F251-L456 HydrophobicContact CZ-CD1 4.21Å; L275-L456 HydrophobicContact CD2-CD1 4.33Å; L275-L456 HydrophobicContact CD2-CD2 3.89Å; L275-L456 HydrophobicContact CD2-CG 3.64Å; C278-L456 HydrophobicContact CB-CD1 3.79Å; C278-L456 HydrophobicContact CB-CD2 4.02Å; C278-L456 HydrophobicContact CB-CG 4.5Å; I279-L456 HydrophobicContact CD1-CD2 4.11Å; I279-L456 HydrophobicContact CG1-CD2 3.88Å; W452-L456 PolarHBondContact O-N 2.74Å; L456-Q458 PolarHBondContact O-N 2.85Å; L456-Q458 VanDerWaalsContact O-N 3.07Å; L456-V459 WeakPolarHBondContact O-CB 3.27Å; L456-V459 WeakPolarHBondContact O-CG2 3.43Å; L456-V459 PolarHBondContact O-N 2.93Å; L456-V459 VanDerWaalsContact O-N 3.09Å
457	P	97.6	Very high	94.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-61.8	-20.6	177.9	-23.7	35.1	0	0	0	114	A333 L336 A453 V459 V460	A333-P457 HydrophobicContact CB-CB 4.47Å; L336-P457 HydrophobicContact CD2-CB 4.26Å; L336-P457 HydrophobicContact CD2-CG 4.06Å; A453-P457 WeakPolarHBondContact O-CD 3.23Å; A453-P457 VanDerWaalsContact O-CG 3.25Å; A453-P457 WeakPolarHBondContact O-CG 3.49Å; P457-V459 VanDerWaalsContact C-N 3.28Å; P457-V459 PolarHBondContact O-N 3.45Å; P457-V460 WeakPolarHBondContact O-CB 3.49Å; P457-V460 PolarHBondContact O-N 3.23Å
458	Q	98.4	Very high	94.9	Very high	12 Å²	12	8.2 Å²	8.2	6%	0.056	5%	0.045	C	C	.	.	H	α-helix	trans	-72.7	-23.6	179.5	-56.6	-171.8	48.9	0	0	112.9	A333 R454 L455 L456 V460 Y461 H462 S495	A333-Q458 HydrophobicContact CB-CG 4.27Å; R454-Q458 WeakPolarHBondContact O-CG 3.39Å; R454-Q458 PolarHBondContact O-NE2 3.45Å; L455-Q458 WeakPolarHBondContact O-CB 3.42Å; L455-Q458 PolarHBondContact O-N 3.02Å; L456-Q458 PolarHBondContact O-N 2.85Å; L456-Q458 VanDerWaalsContact O-N 3.07Å; Q458-V460 PolarHBondContact O-N 3.5Å; Q458-Y461 HydrophobicContact CB-CD1 4.24Å; Q458-Y461 HydrophobicContact CB-CE1 3.36Å; Q458-Y461 WeakPolarHBondContact CB-OH 3.47Å; Q458-Y461 HydrophobicContact CG-CE1 3.65Å; Q458-Y461 WeakPolarHBondContact O-CD1 3.19Å; Q458-Y461 WeakPolarHBondContact O-CE1 3.29Å; Q458-Y461 PolarHBondContact O-N 2.6Å; Q458-Y461 PolarHBondContact OE1-OH 3.2Å; Q458-H462 PolarHBondContact O-CD2 3.4Å; Q458-S495 VanDerWaalsContact CB-OG 3.26Å; Q458-S495 WeakPolarHBondContact CB-OG 3.29Å
459	V	98.5	Very high	95.9	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.024	3%	0.031	C	C	.	.	H	α-helix	trans	-61.9	-32.4	174	-178	0	0	0	0	110.7	F251 L456 P457 S463 Y498 A499 M502	F251-V459 HydrophobicContact CE1-CG2 4.24Å; L456-V459 WeakPolarHBondContact O-CB 3.27Å; L456-V459 WeakPolarHBondContact O-CG2 3.43Å; L456-V459 PolarHBondContact O-N 2.93Å; L456-V459 VanDerWaalsContact O-N 3.09Å; P457-V459 VanDerWaalsContact C-N 3.28Å; P457-V459 PolarHBondContact O-N 3.45Å; V459-S463 WeakPolarHBondContact O-CB 3.4Å; V459-S463 PolarHBondContact O-N 3.04Å; V459-S463 VanDerWaalsContact O-N 3.08Å; V459-S463 PolarHBondContact O-OG 2.99Å; V459-Y498 HydrophobicContact CG2-CD2 4.41Å; V459-A499 HydrophobicContact CG1-CB 3.99Å; V459-M502 HydrophobicContact CG1-SD 3.6Å
460	V	98.6	Very high	96.9	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.012	3%	0.027	C	C	.	.	H	α-helix	trans	-64.8	-46	-178.5	-178.7	0	0	0	0	111.4	Y267 A271 L275 P457 Q458 H462 S463 S464	Y267-V460 HydrophobicContact CE1-CG1 3.97Å; Y267-V460 HydrophobicContact CE2-CG1 4.15Å; A271-V460 HydrophobicContact CB-CG1 3.74Å; A271-V460 HydrophobicContact CB-CG2 4.37Å; L275-V460 HydrophobicContact CD2-CG2 4.2Å; L275-V460 HydrophobicContact CG-CG2 4.18Å; P457-V460 WeakPolarHBondContact O-CB 3.49Å; P457-V460 PolarHBondContact O-N 3.23Å; Q458-V460 PolarHBondContact O-N 3.5Å; V460-H462 PolarHBondContact O-N 3.13Å; V460-S463 PolarHBondContact O-N 3.47Å; V460-S464 WeakPolarHBondContact O-CB 3.25Å; V460-S464 PolarHBondContact O-N 3.29Å
461	Y	98.5	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-71.2	-31.8	-177.4	63.5	-113.3	0	0	0	112.6	Q319 L321 L332 Q458 S464 C465 N492	Q319-Y461 PolarHBondContact NE2-O 3.22Å; L321-Y461 HydrophobicContact CD1-CD2 4.24Å; L321-Y461 HydrophobicContact CD1-CE2 3.93Å; L321-Y461 HydrophobicContact CD2-CD1 4.35Å; L321-Y461 HydrophobicContact CD2-CD2 3.79Å; L321-Y461 HydrophobicContact CD2-CE2 4.3Å; L321-Y461 HydrophobicContact CD2-CG 3.85Å; L332-Y461 HydrophobicContact CB-CD1 3.91Å; L332-Y461 HydrophobicContact CB-CE1 4.22Å; L332-Y461 HydrophobicContact CG-CD1 4.02Å; Q458-Y461 HydrophobicContact CB-CD1 4.24Å; Q458-Y461 HydrophobicContact CB-CE1 3.36Å; Q458-Y461 WeakPolarHBondContact CB-OH 3.47Å; Q458-Y461 HydrophobicContact CG-CE1 3.65Å; Q458-Y461 WeakPolarHBondContact O-CD1 3.19Å; Q458-Y461 WeakPolarHBondContact O-CE1 3.29Å; Q458-Y461 PolarHBondContact O-N 2.6Å; Q458-Y461 PolarHBondContact OE1-OH 3.2Å; Y461-S464 PolarHBondContact O-N 3.46Å; Y461-C465 WeakPolarHBondContact O-CB 3.11Å; Y461-C465 PolarHBondContact O-N 3.44Å; Y461-N492 PolarHBondContact OH-ND2 3.01Å; Y461-N492 PolarHBondContact OH-OD1 3Å
462	H	98.7	Very high	97.7	Very high	6 Å²	6	11 Å²	11	3%	0.028	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-46.5	171.9	-75.5	-62.7	0	0	0	111.2	Q458 V460 S464 C465 Y466 N492 S495 A496 A499	Q458-H462 PolarHBondContact O-CD2 3.4Å; V460-H462 PolarHBondContact O-N 3.13Å; H462-S464 PolarHBondContact O-N 2.89Å; H462-C465 WeakPolarHBondContact O-CB 3.29Å; H462-C465 PolarHBondContact O-N 3.08Å; H462-Y466 PolarHBondContact O-N 2.74Å; H462-N492 PolarHBondContact CE1-OD1 3.25Å; H462-N492 VanDerWaalsContact CE1-OD1 3.23Å; H462-N492 PolarHBondContact NE2-O 3.48Å; H462-N492 VanDerWaalsContact NE2-O 3.15Å; H462-N492 PolarHBondContact NE2-OD1 2.98Å; H462-S495 PolarHBondContact CD2-OG 3.03Å; H462-S495 PolarHBondContact NE2-OG 3.48Å; H462-A496 PolarHBondContact CD2-N 3.15Å; H462-A499 HydrophobicContact CB-CB 3.88Å
463	S	98.7	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-45.3	175.9	-53.4	0	0	0	0	111.3	V459 V460 C465 Y466 L467	V459-S463 WeakPolarHBondContact O-CB 3.4Å; V459-S463 PolarHBondContact O-N 3.04Å; V459-S463 VanDerWaalsContact O-N 3.08Å; V459-S463 PolarHBondContact O-OG 2.99Å; V460-S463 PolarHBondContact O-N 3.47Å; S463-C465 VanDerWaalsContact C-N 3.32Å; S463-C465 PolarHBondContact O-N 3.43Å; S463-Y466 PolarHBondContact O-N 3.39Å; S463-L467 VanDerWaalsContact O-CG 3.25Å; S463-L467 WeakPolarHBondContact O-CG 3.46Å; S463-L467 PolarHBondContact O-N 3.45Å
464	S	98.6	Very high	97.9	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-35.9	179	-170	0	0	0	0	112.4	Y267 R270 V460 Y461 H462 L467 D468	Y267-S464 WeakPolarHBondContact CD2-OG 3.37Å; R270-S464 PolarHBondContact NH1-O 2.96Å; R270-S464 PolarHBondContact NH1-OG 3.47Å; V460-S464 WeakPolarHBondContact O-CB 3.25Å; V460-S464 PolarHBondContact O-N 3.29Å; Y461-S464 PolarHBondContact O-N 3.46Å; H462-S464 PolarHBondContact O-N 2.89Å; S464-L467 PolarHBondContact O-N 3.05Å; S464-D468 VanDerWaalsContact O-CB 3.31Å; S464-D468 WeakPolarHBondContact O-CB 3.35Å; S464-D468 PolarHBondContact O-N 3.21Å
465	C	98.6	Very high	98.1	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.027	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-49.5	174.8	-172.9	0	0	0	0	111.4	Y461 H462 S463 L467 D468 L469	Y461-C465 WeakPolarHBondContact O-CB 3.11Å; Y461-C465 PolarHBondContact O-N 3.44Å; H462-C465 WeakPolarHBondContact O-CB 3.29Å; H462-C465 PolarHBondContact O-N 3.08Å; S463-C465 VanDerWaalsContact C-N 3.32Å; S463-C465 PolarHBondContact O-N 3.43Å; C465-L467 VanDerWaalsContact C-N 3.33Å; C465-L467 PolarHBondContact O-N 2.94Å; C465-D468 PolarHBondContact O-N 2.72Å; C465-L469 WeakPolarHBondContact O-CG 3.23Å; C465-L469 PolarHBondContact O-N 3.44Å
466	Y	98.9	Very high	98.2	Very high	2 Å²	2	22 Å²	22	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-45.2	178.2	-173.5	-83.9	0	0	0	111.4	H462 S463 D468 L469 C470 I475 N476 F477 G478 D479 L481 I504 P505	H462-Y466 PolarHBondContact O-N 2.74Å; S463-Y466 PolarHBondContact O-N 3.39Å; Y466-D468 VanDerWaalsContact C-N 3.33Å; Y466-D468 PolarHBondContact O-N 2.8Å; Y466-L469 PolarHBondContact O-N 2.84Å; Y466-C470 WeakPolarHBondContact CE1-SG 3.37Å; Y466-C470 PolarHBondContact O-N 2.98Å; Y466-C470 PolarHBondContact O-SG 2.92Å; Y466-I475 HydrophobicContact CD2-CD1 3.87Å; Y466-I475 HydrophobicContact CE1-CD1 4.3Å; Y466-I475 HydrophobicContact CE2-CD1 3.52Å; Y466-I475 HydrophobicContact CG-CD1 4.36Å; Y466-N476 PolarHBondContact OH-O 3.31Å; Y466-F477 HydrophobicContact CD1-CD2 4.18Å; Y466-F477 HydrophobicContact CD1-CE2 4.2Å; Y466-F477 AromaticContact CE1-CD2 3.54Å; Y466-F477 HydrophobicContact CE1-CD2 3.54Å; Y466-F477 AromaticContact CE1-CE2 3.78Å; Y466-F477 HydrophobicContact CE1-CE2 3.78Å; Y466-F477 HydrophobicContact CE1-CG 4.29Å; Y466-G478 PolarHBondContact OH-N 2.93Å; Y466-D479 VanDerWaalsContact CE2-O 3.31Å; Y466-D479 WeakPolarHBondContact CE2-O 3.18Å; Y466-D479 PolarHBondContact OH-N 3.17Å; Y466-D479 PolarHBondContact OH-O 3.32Å; Y466-L481 HydrophobicContact CD2-CD2 3.38Å; Y466-L481 HydrophobicContact CD2-CG 3.87Å; Y466-L481 HydrophobicContact CE2-CD2 3.99Å; Y466-L481 HydrophobicContact CE2-CG 4.23Å; Y466-L481 HydrophobicContact CG-CD2 4.28Å; Y466-I504 HydrophobicContact CD1-CD1 4.14Å; Y466-I504 HydrophobicContact CD1-CG2 4.17Å; Y466-I504 HydrophobicContact CD2-CG2 3.55Å; Y466-I504 HydrophobicContact CE2-CG2 4.3Å; Y466-I504 HydrophobicContact CG-CD1 4.33Å; Y466-I504 HydrophobicContact CG-CG2 3.51Å; Y466-P505 HydrophobicContact CE1-CG 4.47Å; Y466-P505 HydrophobicContact CE2-CB 4.12Å; Y466-P505 HydrophobicContact CE2-CG 4.15Å; Y466-P505 VanDerWaalsContact CZ-CD 3.49Å; Y466-P505 WeakPolarHBondContact OH-CG 3.32Å
467	L	98.7	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.1	-33.6	179	-66	173	0	0	0	112.8	W259 L262 I263 R270 S463 S464 C465 C470 R471	W259-L467 HydrophobicContact CE3-CD1 4.24Å; W259-L467 HydrophobicContact CE3-CD2 4.21Å; W259-L467 HydrophobicContact CZ3-CD1 4.34Å; W259-L467 WeakPolarHBondContact O-CD2 3.39Å; L262-L467 HydrophobicContact CB-CD1 3.66Å; L262-L467 HydrophobicContact CB-CD2 4.43Å; I263-L467 HydrophobicContact CG1-CD2 3.76Å; R270-L467 HydrophobicContact CG-CD1 4.39Å; S463-L467 VanDerWaalsContact O-CG 3.25Å; S463-L467 WeakPolarHBondContact O-CG 3.46Å; S463-L467 PolarHBondContact O-N 3.45Å; S464-L467 PolarHBondContact O-N 3.05Å; C465-L467 VanDerWaalsContact C-N 3.33Å; C465-L467 PolarHBondContact O-N 2.94Å; L467-C470 WeakPolarHBondContact O-CB 3.23Å; L467-C470 PolarHBondContact O-N 3.25Å; L467-R471 WeakPolarHBondContact O-CB 3.26Å; L467-R471 PolarHBondContact O-N 3.06Å
468	D	98.6	Very high	98.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.011	16%	0.157	C	C	.	.	H	α-helix	trans	-69.3	-40.4	174.3	-84.4	6.2	0	0	0	112.2	R270 V309 S464 C465 Y466 C470 R471 D472	R270-D468 IonicContact CZ-OD1 3.38Å; R270-D468 VanDerWaalsContact CZ-OD1 3.28Å; R270-D468 IonicContact NH1-OD1 3.92Å; R270-D468 PolarHBondContact NH1-OD1 3.08Å; R270-D468 IonicContact NH2-OD1 3.65Å; R270-D468 PolarHBondContact NH2-OD1 2.99Å; V309-D468 HydrophobicContact CG1-CB 3.57Å; S464-D468 VanDerWaalsContact O-CB 3.31Å; S464-D468 WeakPolarHBondContact O-CB 3.35Å; S464-D468 PolarHBondContact O-N 3.21Å; C465-D468 PolarHBondContact O-N 2.72Å; Y466-D468 VanDerWaalsContact C-N 3.33Å; Y466-D468 PolarHBondContact O-N 2.8Å; D468-C470 VanDerWaalsContact C-N 3.28Å; D468-C470 PolarHBondContact O-N 3.21Å; D468-R471 PolarHBondContact O-N 3.25Å; D468-R471 IonicContact OD1-CZ 3.9Å; D468-R471 IonicContact OD1-NH1 2.82Å; D468-R471 PolarHBondContact OD1-NH1 3.28Å; D468-R471 IonicContact OD1-NH2 3.75Å; D468-R471 PolarHBondContact OD1-NH2 3.05Å; D468-R471 VanDerWaalsContact OD1-NH2 3.07Å; D468-R471 IonicContact OD2-CZ 3.12Å; D468-R471 IonicContact OD2-NH1 3.62Å; D468-R471 IonicContact OD2-NH2 2.95Å; D468-R471 PolarHBondContact OD2-NH2 2.98Å; D468-R471 VanDerWaalsContact OD2-NH2 3.11Å; D468-D472 VanDerWaalsContact O-CB 3.31Å; D468-D472 WeakPolarHBondContact O-CB 3.37Å; D468-D472 PolarHBondContact O-N 3.15Å
469	L	98.6	Very high	98.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-36.4	172.5	-67.1	173.8	0	0	0	111.8	V309 Y317 C465 Y466 G473 V474 I475 L481 V640	V309-L469 HydrophobicContact CG1-CD2 4.03Å; V309-L469 HydrophobicContact CG1-CG 4.17Å; V309-L469 HydrophobicContact CG2-CD2 3.85Å; V309-L469 HydrophobicContact CG2-CG 4.26Å; Y317-L469 HydrophobicContact CD1-CD2 3.64Å; Y317-L469 HydrophobicContact CE1-CD2 3.97Å; Y317-L469 HydrophobicContact CG-CD2 4.02Å; C465-L469 WeakPolarHBondContact O-CG 3.23Å; C465-L469 PolarHBondContact O-N 3.44Å; Y466-L469 PolarHBondContact O-N 2.84Å; L469-G473 PolarHBondContact O-N 3.33Å; L469-V474 HydrophobicContact CB-CB 4.25Å; L469-V474 HydrophobicContact CD2-CB 4.11Å; L469-V474 HydrophobicContact CD2-CG1 4.13Å; L469-V474 HydrophobicContact CD2-CG2 4.11Å; L469-V474 WeakPolarHBondContact O-CB 3.46Å; L469-V474 PolarHBondContact O-N 3.21Å; L469-I475 HydrophobicContact CB-CD1 3.87Å; L469-I475 HydrophobicContact CB-CG1 3.84Å; L469-I475 HydrophobicContact CD1-CD1 4.37Å; L469-I475 PolarHBondContact O-N 3.48Å; L469-L481 HydrophobicContact CD1-CD2 3.76Å; L469-V640 HydrophobicContact CD1-CG2 3.83Å
470	C	98.5	Very high	98.2	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.115	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-47	171.8	-66	0	0	0	0	111.9	I263 Y466 L467 D468 D472 G473 I475	I263-C470 HydrophobicContact CD1-CB 3.86Å; I263-C470 HydrophobicContact CG1-CB 4.15Å; I263-C470 HydrophobicContact CG2-CB 4.41Å; Y466-C470 WeakPolarHBondContact CE1-SG 3.37Å; Y466-C470 PolarHBondContact O-N 2.98Å; Y466-C470 PolarHBondContact O-SG 2.92Å; L467-C470 WeakPolarHBondContact O-CB 3.23Å; L467-C470 PolarHBondContact O-N 3.25Å; D468-C470 VanDerWaalsContact C-N 3.28Å; D468-C470 PolarHBondContact O-N 3.21Å; C470-D472 VanDerWaalsContact C-N 3.29Å; C470-D472 PolarHBondContact O-N 2.75Å; C470-G473 PolarHBondContact O-N 2.99Å; C470-I475 WeakPolarHBondContact CA-O 3.25Å
471	R	97.8	Very high	98.2	Very high	84 Å²	84	30.4 Å²	30.4	32%	0.317	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-42.4	179.1	-177.3	-170.4	63.3	-136.9	-17.4	111.3	I263 L467 D468 G473	I263-R471 HydrophobicContact CG2-CB 3.69Å; I263-R471 HydrophobicContact CG2-CG 4.35Å; L467-R471 WeakPolarHBondContact O-CB 3.26Å; L467-R471 PolarHBondContact O-N 3.06Å; D468-R471 PolarHBondContact O-N 3.25Å; D468-R471 IonicContact OD1-CZ 3.9Å; D468-R471 IonicContact OD1-NH1 2.82Å; D468-R471 PolarHBondContact OD1-NH1 3.28Å; D468-R471 IonicContact OD1-NH2 3.75Å; D468-R471 PolarHBondContact OD1-NH2 3.05Å; D468-R471 VanDerWaalsContact OD1-NH2 3.07Å; D468-R471 IonicContact OD2-CZ 3.12Å; D468-R471 IonicContact OD2-NH1 3.62Å; D468-R471 IonicContact OD2-NH2 2.95Å; D468-R471 PolarHBondContact OD2-NH2 2.98Å; D468-R471 VanDerWaalsContact OD2-NH2 3.11Å; R471-G473 PolarHBondContact O-N 3.11Å
472	D	97.1	Very high	98.2	Very high	71 Å²	71	30.5 Å²	30.5	38%	0.38	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.8	-175.4	-61.1	-3.7	0	0	0	111.4	R305 D468 C470 V474	R305-D472 IonicContact CZ-OD2 3.73Å; R305-D472 IonicContact NH1-OD1 2.99Å; R305-D472 IonicContact NH1-OD2 3.79Å; R305-D472 PolarHBondContact NH1-OD2 2.81Å; R305-D472 IonicContact NH2-OD1 2.77Å; R305-D472 IonicContact NH2-OD2 2.73Å; D468-D472 VanDerWaalsContact O-CB 3.31Å; D468-D472 WeakPolarHBondContact O-CB 3.37Å; D468-D472 PolarHBondContact O-N 3.15Å; C470-D472 VanDerWaalsContact C-N 3.29Å; C470-D472 PolarHBondContact O-N 2.75Å; D472-V474 VanDerWaalsContact C-N 3.31Å; D472-V474 PolarHBondContact O-N 2.9Å
473	G	97.3	Very high	98.2	Very high	66 Å²	66	30.5 Å²	30.5	68%	0.68	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	15.5	172.4	0	0	0	0	0	114.9	L469 C470 R471	L469-G473 PolarHBondContact O-N 3.33Å; C470-G473 PolarHBondContact O-N 2.99Å; R471-G473 PolarHBondContact O-N 3.11Å
474	V	97.6	Very high	98.2	Very high	51 Å²	51	30.5 Å²	30.5	31%	0.309	19%	0.188	S	C	.	.	S	Bend	trans	-74.9	-38.9	179.9	175.4	0	0	0	0	111.3	Y317 L469 D472	Y317-V474 HydrophobicContact CE1-CG1 3.87Å; Y317-V474 HydrophobicContact CE1-CG2 3.91Å; Y317-V474 HydrophobicContact CE2-CG1 3.85Å; Y317-V474 WeakPolarHBondContact OH-CG1 3.4Å; L469-V474 HydrophobicContact CB-CB 4.25Å; L469-V474 HydrophobicContact CD2-CB 4.11Å; L469-V474 HydrophobicContact CD2-CG1 4.13Å; L469-V474 HydrophobicContact CD2-CG2 4.11Å; L469-V474 WeakPolarHBondContact O-CB 3.46Å; L469-V474 PolarHBondContact O-N 3.21Å; D472-V474 VanDerWaalsContact C-N 3.31Å; D472-V474 PolarHBondContact O-N 2.9Å
475	I	98	Very high	98.2	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.056	19%	0.188	C	C	.	.	S	Bend	trans	-137.2	159	177.9	60.8	-179.8	0	0	0	110	Y466 L469 C470 D479 L481 P638	Y466-I475 HydrophobicContact CD2-CD1 3.87Å; Y466-I475 HydrophobicContact CE1-CD1 4.3Å; Y466-I475 HydrophobicContact CE2-CD1 3.52Å; Y466-I475 HydrophobicContact CG-CD1 4.36Å; L469-I475 HydrophobicContact CB-CD1 3.87Å; L469-I475 HydrophobicContact CB-CG1 3.84Å; L469-I475 HydrophobicContact CD1-CD1 4.37Å; L469-I475 PolarHBondContact O-N 3.48Å; C470-I475 WeakPolarHBondContact CA-O 3.25Å; I475-D479 HydrophobicContact CB-CB 4.1Å; I475-D479 HydrophobicContact CG2-CB 4.48Å; I475-L481 HydrophobicContact CD1-CD2 4.05Å; I475-P638 HydrophobicContact CG2-CG 3.8Å
476	N	97.9	Very high	98.2	Very high	121 Å²	121	30.6 Å²	30.6	65%	0.647	19%	0.189	S	C	*	.			trans	-92.1	153.9	165.5	-57.1	-75	0	0	0	110.3	Y466 G478 D479	Y466-N476 PolarHBondContact OH-O 3.31Å; N476-G478 PolarHBondContact O-N 2.89Å; N476-G478 VanDerWaalsContact O-N 3.12Å; N476-D479 WeakPolarHBondContact CB-OD2 3.48Å; N476-D479 PolarHBondContact N-OD2 3.37Å; N476-D479 PolarHBondContact ND2-OD2 2.68Å; N476-D479 WeakPolarHBondContact O-CB 3.29Å; N476-D479 PolarHBondContact O-N 3.43Å
477	F	97.6	Very high	98.1	Very high	28 Å²	28	30.7 Å²	30.7	12%	0.123	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	118.8	173.6	-170	-82.5	0	0	0	110.9	K256 W259 L260 Y466 I504	K256-F477 HydrophobicContact CB-CE1 4.31Å; K256-F477 HydrophobicContact CD-CD1 4.29Å; K256-F477 HydrophobicContact CG-CD1 3.79Å; K256-F477 HydrophobicContact CG-CE1 3.9Å; W259-F477 HydrophobicContact CB-CD2 3.89Å; W259-F477 HydrophobicContact CB-CE1 4.09Å; W259-F477 HydrophobicContact CB-CE2 3.24Å; W259-F477 HydrophobicContact CB-CZ 3.36Å; W259-F477 AromaticContact CD1-CZ 3.35Å; W259-F477 HydrophobicContact CD2-CE2 4.19Å; W259-F477 HydrophobicContact CD2-CZ 4.25Å; W259-F477 HydrophobicContact CG-CE1 4.34Å; W259-F477 AromaticContact CG-CE2 3.53Å; W259-F477 HydrophobicContact CG-CE2 3.53Å; W259-F477 AromaticContact CG-CZ 3.36Å; W259-F477 HydrophobicContact CG-CZ 3.36Å; L260-F477 HydrophobicContact CD2-CB 3.72Å; L260-F477 HydrophobicContact CD2-CG 4.22Å; Y466-F477 HydrophobicContact CD1-CD2 4.18Å; Y466-F477 HydrophobicContact CD1-CE2 4.2Å; Y466-F477 AromaticContact CE1-CD2 3.54Å; Y466-F477 HydrophobicContact CE1-CD2 3.54Å; Y466-F477 AromaticContact CE1-CE2 3.78Å; Y466-F477 HydrophobicContact CE1-CE2 3.78Å; Y466-F477 HydrophobicContact CE1-CG 4.29Å; F477-I504 HydrophobicContact CE2-CD1 4.46Å
478	G	97.6	Very high	97.7	Very high	45 Å²	45	31.1 Å²	31.1	46%	0.464	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.8	-23.1	-172.5	0	0	0	0	0	112.7	Y466 N476	Y466-G478 PolarHBondContact OH-N 2.93Å; N476-G478 PolarHBondContact O-N 2.89Å; N476-G478 VanDerWaalsContact O-N 3.12Å
479	D	98.3	Very high	97.4	Very high	63 Å²	63	33.9 Å²	33.9	34%	0.337	21%	0.208	S	C	.	.			trans	-70.3	138.6	176.5	-65.3	-21.1	0	0	0	109.9	Y466 I475 N476	Y466-D479 VanDerWaalsContact CE2-O 3.31Å; Y466-D479 WeakPolarHBondContact CE2-O 3.18Å; Y466-D479 PolarHBondContact OH-N 3.17Å; Y466-D479 PolarHBondContact OH-O 3.32Å; I475-D479 HydrophobicContact CB-CB 4.1Å; I475-D479 HydrophobicContact CG2-CB 4.48Å; N476-D479 WeakPolarHBondContact CB-OD2 3.48Å; N476-D479 PolarHBondContact N-OD2 3.37Å; N476-D479 PolarHBondContact ND2-OD2 2.68Å; N476-D479 WeakPolarHBondContact O-CB 3.29Å; N476-D479 PolarHBondContact O-N 3.43Å
480	P	98.1	Very high	97.3	Very high	59 Å²	59	33.9 Å²	33.9	38%	0.383	21%	0.208	S	C	.	.			trans	-72	154.3	-178.7	29.1	-33.8	0	0	0	112	P505 R507 C637	P480-P505 VanDerWaalsContact CA-O 3.31Å; P480-P505 WeakPolarHBondContact CA-O 3.16Å; P480-R507 HydrophobicContact CB-CB 3.95Å; P480-C637 HydrophobicContact CB-CB 4.36Å; P480-C637 HydrophobicContact CG-CB 4.06Å; P480-C637 WeakPolarHBondContact O-CB 3.47Å
481	L	98.3	Very high	97.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.1	160.5	69.2	76.9	0	0	0	111.2	Y466 L469 I475 V483 P505 I506 R507 P638 V640	Y466-L481 HydrophobicContact CD2-CD2 3.38Å; Y466-L481 HydrophobicContact CD2-CG 3.87Å; Y466-L481 HydrophobicContact CE2-CD2 3.99Å; Y466-L481 HydrophobicContact CE2-CG 4.23Å; Y466-L481 HydrophobicContact CG-CD2 4.28Å; L469-L481 HydrophobicContact CD1-CD2 3.76Å; I475-L481 HydrophobicContact CD1-CD2 4.05Å; L481-V483 HydrophobicContact CD1-CG2 3.35Å; L481-P505 PolarHBondContact N-O 3.09Å; L481-P505 VanDerWaalsContact N-O 3.15Å; L481-I506 HydrophobicContact CD1-CG1 4.38Å; L481-I506 CarbonylContact O-C 3.56Å; L481-I506 WeakPolarHBondContact O-CA 3.47Å; L481-R507 PolarHBondContact O-N 2.83Å; L481-P638 WeakPolarHBondContact CA-O 3.42Å; L481-V640 HydrophobicContact CD1-CG2 4.34Å; L481-V640 HydrophobicContact CD2-CG2 4.25Å
482	D	98.6	Very high	97.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.8	168.7	-65.2	-27.2	0	0	0	110.6	R507 K508 I510 P638 T639 V640	D482-R507 WeakPolarHBondContact OD1-CB 3.21Å; D482-R507 IonicContact OD1-CZ 2.69Å; D482-R507 IonicContact OD1-NE 2.74Å; D482-R507 PolarHBondContact OD1-NE 2.89Å; D482-R507 IonicContact OD1-NH2 3.66Å; D482-R507 IonicContact OD2-CZ 3.62Å; D482-R507 IonicContact OD2-NE 2.6Å; D482-R507 PolarHBondContact OD2-NE 3.19Å; D482-R507 IonicContact OD2-NH2 3.36Å; D482-R507 PolarHBondContact OD2-NH2 3.39Å; D482-K508 WeakPolarHBondContact CA-O 3.28Å; D482-K508 WeakPolarHBondContact OD1-CB 3.23Å; D482-K508 PolarHBondContact OD1-N 2.99Å; D482-I510 HydrophobicContact CB-CD1 4.16Å; D482-P638 PolarHBondContact N-O 3.27Å; D482-T639 HydrophobicContact CB-CG2 4.31Å; D482-T639 CarbonylContact O-C 3.49Å; D482-T639 WeakPolarHBondContact O-CA 3.35Å; D482-V640 PolarHBondContact O-N 3.2Å
483	V	98.7	Very high	97.2	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.5	175.2	-172.3	0	0	0	0	109.3	L481 I485 I506 K508 V509 I510 V640	L481-V483 HydrophobicContact CD1-CG2 3.35Å; V483-I485 HydrophobicContact CG1-CD1 4.09Å; V483-I485 HydrophobicContact CG1-CG1 3.83Å; V483-I506 HydrophobicContact CG2-CD1 4.15Å; V483-I506 HydrophobicContact CG2-CG1 4.45Å; V483-I506 HydrophobicContact CG2-CG2 4.19Å; V483-K508 PolarHBondContact N-O 3.25Å; V483-V509 CarbonylContact O-C 3.53Å; V483-I510 PolarHBondContact O-N 3.44Å; V483-V640 CarbonylContact C-O 3.49Å; V483-V640 WeakPolarHBondContact CA-O 3.28Å
484	C	98.8	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.6	175.6	-168.1	0	0	0	0	111.6	I510 A625 A629 T639 V640 L641 C642	C484-I510 CarbonylContact C-O 3.54Å; C484-I510 WeakPolarHBondContact CA-O 3.2Å; C484-I510 HydrophobicContact CB-CB 4.04Å; C484-I510 HydrophobicContact CB-CG2 4.43Å; C484-A625 PolarHBondContact SG-O 3.48Å; C484-A625 VanDerWaalsContact SG-O 3.33Å; C484-A629 HydrophobicContact CB-CB 3.97Å; C484-T639 HydrophobicContact CB-CG2 4.3Å; C484-V640 PolarHBondContact N-O 3.46Å; C484-L641 HydrophobicContact CB-CD2 3.75Å; C484-C642 PolarHBondContact O-N 3.02Å
485	I	98.8	Very high	97.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121	-166.8	-58	172.3	0	0	0	109.1	V483 T487 N492 A493 A496 V509 I510 A512 C642	V483-I485 HydrophobicContact CG1-CD1 4.09Å; V483-I485 HydrophobicContact CG1-CG1 3.83Å; I485-T487 PolarHBondContact O-N 3.13Å; I485-T487 PolarHBondContact O-OG1 2.82Å; I485-N492 HydrophobicContact CG2-CB 3.87Å; I485-A493 HydrophobicContact CD1-CB 4.21Å; I485-A496 HydrophobicContact CD1-CB 3.99Å; I485-V509 HydrophobicContact CD1-CG1 3.91Å; I485-I510 PolarHBondContact N-O 3.42Å; I485-A512 PolarHBondContact O-N 3.39Å; I485-C642 HydrophobicContact CG1-CB 4.41Å
486	P	98.1	Very high	97.3	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.052	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	112.3	168.3	27.2	-28.2	0	0	0	108.7	A512 I543 H621 A625 C642 T644	P486-A512 CarbonylContact C-O 3.57Å; P486-A512 WeakPolarHBondContact CA-O 3.41Å; P486-I543 HydrophobicContact CB-CD1 4.38Å; P486-H621 HydrophobicContact CB-CB 4.13Å; P486-H621 VanDerWaalsContact CB-O 3.28Å; P486-H621 WeakPolarHBondContact CB-O 3.08Å; P486-H621 HydrophobicContact CG-CB 4.23Å; P486-A625 HydrophobicContact CB-CB 4.39Å; P486-A625 HydrophobicContact CG-CB 4.35Å; P486-C642 WeakPolarHBondContact CD-O 3.44Å; P486-T644 HydrophobicContact CG-CG2 3.65Å
487	T	96.4	Very high	97.3	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.025	10%	0.096	C	C	.	.			trans	-111.4	115.6	-159.4	-65.7	0	0	0	0	111.6	I485 F490 C511 A512 V519	I485-T487 PolarHBondContact O-N 3.13Å; I485-T487 PolarHBondContact O-OG1 2.82Å; T487-F490 HydrophobicContact CG2-CD2 3.83Å; T487-F490 HydrophobicContact CG2-CE2 4.47Å; T487-C511 HydrophobicContact CG2-CB 4.19Å; T487-A512 PolarHBondContact N-O 2.79Å; T487-V519 HydrophobicContact CG2-CG1 4.23Å
488	G	90.9	Very high	97.3	Very high	8 Å²	8	13.8 Å²	13.8	8%	0.082	9%	0.092	C	C	.	.	S	Bend	trans	-101.9	-99.5	166.2	0	0	0	0	0	111.3	F490 S548	G488-F490 PolarHBondContact O-N 2.92Å; G488-S548 PolarHBondContact O-OG 3.43Å
489	N	91.9	Very high	97.4	Very high	60 Å²	60	11.6 Å²	11.6	32%	0.321	7%	0.07	S	C	.	.	S	Bend	trans	-73.9	18.1	-178.1	-79.7	-55.6	0	0	0	116.1	G491 K547 S548 S549 N550	N489-G491 PolarHBondContact O-N 2.95Å; N489-K547 PolarHBondContact OD1-O 3.19Å; N489-S548 WeakPolarHBondContact CA-OG 3.34Å; N489-S549 PolarHBondContact OD1-N 3.05Å; N489-S549 PolarHBondContact OD1-OG 3.42Å; N489-N550 WeakPolarHBondContact O-CB 3.3Å; N489-N550 PolarHBondContact O-N 2.87Å; N489-N550 PolarHBondContact O-ND2 2.89Å
490	F	96.4	Very high	97.4	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.013	7%	0.065	C	C	.	.	S	Bend	trans	60.7	-5.7	177.6	-142.2	-97.6	0	0	0	118	T487 G488 N492 A493 M494 L497 C511 V519 L523 S548 N550 L551 F554 V593	T487-F490 HydrophobicContact CG2-CD2 3.83Å; T487-F490 HydrophobicContact CG2-CE2 4.47Å; G488-F490 PolarHBondContact O-N 2.92Å; F490-N492 PolarHBondContact O-N 3.15Å; F490-A493 HydrophobicContact CD1-CB 4.09Å; F490-A493 HydrophobicContact CD2-CB 4.29Å; F490-A493 HydrophobicContact CE1-CB 3.99Å; F490-A493 HydrophobicContact CE2-CB 4.21Å; F490-A493 HydrophobicContact CG-CB 4.23Å; F490-A493 HydrophobicContact CZ-CB 4.06Å; F490-A493 PolarHBondContact O-N 2.9Å; F490-M494 HydrophobicContact CD1-CB 4.29Å; F490-M494 WeakPolarHBondContact O-CB 3.38Å; F490-M494 PolarHBondContact O-N 3.41Å; F490-L497 HydrophobicContact CE1-CD1 4.42Å; F490-C511 WeakPolarHBondContact CE2-SG 3.48Å; F490-V519 HydrophobicContact CD2-CG1 4.03Å; F490-V519 HydrophobicContact CE2-CG1 4.01Å; F490-L523 HydrophobicContact CE2-CD1 4.3Å; F490-S548 WeakPolarHBondContact CB-OG 3.33Å; F490-S548 PolarHBondContact N-OG 3.14Å; F490-N550 HydrophobicContact CB-CB 4.06Å; F490-L551 HydrophobicContact CB-CB 4.45Å; F490-L551 HydrophobicContact CD1-CD1 4.41Å; F490-L551 HydrophobicContact CD2-CD1 3.88Å; F490-L551 HydrophobicContact CE1-CD1 4.4Å; F490-L551 HydrophobicContact CE2-CD1 3.85Å; F490-L551 HydrophobicContact CG-CD1 4.16Å; F490-L551 HydrophobicContact CZ-CD1 4.13Å; F490-F554 HydrophobicContact CD1-CB 4.04Å; F490-F554 HydrophobicContact CE1-CB 3.57Å; F490-F554 AromaticContact CE1-CD1 3.95Å; F490-F554 HydrophobicContact CE1-CD1 3.95Å; F490-F554 HydrophobicContact CE1-CD2 4.26Å; F490-F554 AromaticContact CE1-CG 3.67Å; F490-F554 HydrophobicContact CE1-CG 3.67Å; F490-F554 HydrophobicContact CZ-CB 4.35Å; F490-F554 AromaticContact CZ-CD1 3.87Å; F490-F554 HydrophobicContact CZ-CD1 3.87Å; F490-F554 HydrophobicContact CZ-CE1 4.34Å; F490-F554 HydrophobicContact CZ-CG 4.06Å; F490-V593 HydrophobicContact CZ-CG1 4.42Å
491	G	96	Very high	97.3	Very high	9 Å²	9	12 Å²	12	9%	0.093	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-174.6	0	0	0	0	0	114.4	N489 M494 S495	N489-G491 PolarHBondContact O-N 2.95Å; G491-M494 PolarHBondContact O-N 2.98Å; G491-S495 PolarHBondContact O-N 3.29Å; G491-S495 PolarHBondContact O-OG 3.08Å
492	N	97.6	Very high	97.3	Very high	9 Å²	9	11.8 Å²	11.8	5%	0.048	6%	0.062	C	C	.	.	H	α-helix	trans	-68.2	-41.2	177.3	-174.1	-18.8	0	0	0	111.5	F329 Y461 H462 I485 F490 S495 A496	F329-N492 HydrophobicContact CE2-CB 4.18Å; Y461-N492 PolarHBondContact OH-ND2 3.01Å; Y461-N492 PolarHBondContact OH-OD1 3Å; H462-N492 PolarHBondContact CE1-OD1 3.25Å; H462-N492 VanDerWaalsContact CE1-OD1 3.23Å; H462-N492 PolarHBondContact NE2-O 3.48Å; H462-N492 VanDerWaalsContact NE2-O 3.15Å; H462-N492 PolarHBondContact NE2-OD1 2.98Å; I485-N492 HydrophobicContact CG2-CB 3.87Å; F490-N492 PolarHBondContact O-N 3.15Å; N492-S495 WeakPolarHBondContact CA-OG 3.34Å; N492-S495 PolarHBondContact O-N 3.49Å; N492-S495 PolarHBondContact O-OG 3.36Å; N492-A496 PolarHBondContact O-N 3.04Å; N492-A496 VanDerWaalsContact O-N 3.13Å
493	A	98.3	Very high	97.3	Very high	1 Å²	1	13 Å²	13	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-42.6	173.8	0	0	0	0	0	111.9	I485 F490 S495 A496 L497 V509	I485-A493 HydrophobicContact CD1-CB 4.21Å; F490-A493 HydrophobicContact CD1-CB 4.09Å; F490-A493 HydrophobicContact CD2-CB 4.29Å; F490-A493 HydrophobicContact CE1-CB 3.99Å; F490-A493 HydrophobicContact CE2-CB 4.21Å; F490-A493 HydrophobicContact CG-CB 4.23Å; F490-A493 HydrophobicContact CZ-CB 4.06Å; F490-A493 PolarHBondContact O-N 2.9Å; A493-S495 VanDerWaalsContact C-N 3.32Å; A493-S495 PolarHBondContact O-N 2.81Å; A493-A496 WeakPolarHBondContact O-CB 3.04Å; A493-A496 PolarHBondContact O-N 3.38Å; A493-L497 PolarHBondContact O-N 3.27Å; A493-L497 VanDerWaalsContact O-N 3.11Å; A493-V509 HydrophobicContact CB-CG1 4.01Å
494	M	97.9	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-38.9	175.8	-164.2	66.4	-138	0	0	112	L455 F490 G491 A496 L497 Y498 R553 F554 H557	L455-M494 HydrophobicContact CD1-CB 4.29Å; L455-M494 HydrophobicContact CD1-CG 4.22Å; F490-M494 HydrophobicContact CD1-CB 4.29Å; F490-M494 WeakPolarHBondContact O-CB 3.38Å; F490-M494 PolarHBondContact O-N 3.41Å; G491-M494 PolarHBondContact O-N 2.98Å; M494-A496 VanDerWaalsContact C-N 3.34Å; M494-A496 PolarHBondContact O-N 3.46Å; M494-L497 HydrophobicContact CE-CB 4.29Å; M494-L497 HydrophobicContact CE-CD1 4.42Å; M494-L497 WeakPolarHBondContact O-CB 3.34Å; M494-L497 PolarHBondContact O-N 2.95Å; M494-L497 HydrophobicContact SD-CD1 4.2Å; M494-Y498 HydrophobicContact CE-CD1 3.8Å; M494-Y498 HydrophobicContact CE-CD2 4.48Å; M494-Y498 HydrophobicContact CE-CE1 3.22Å; M494-Y498 HydrophobicContact CE-CE2 3.98Å; M494-Y498 HydrophobicContact CE-CG 4.41Å; M494-Y498 HydrophobicContact CG-CD2 4.19Å; M494-Y498 HydrophobicContact CG-CE2 3.61Å; M494-Y498 WeakPolarHBondContact O-CD2 3.2Å; M494-Y498 PolarHBondContact O-N 3.34Å; M494-R553 HydrophobicContact CG-CB 4.13Å; M494-R553 HydrophobicContact SD-CB 4.1Å; M494-F554 HydrophobicContact SD-CB 3.83Å; M494-F554 HydrophobicContact SD-CD2 4.42Å; M494-H557 HydrophobicContact CE-CB 3.94Å
495	S	98.3	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.9	-30.1	176.9	60.2	0	0	0	0	113.6	Q458 H462 G491 N492 A493 Y498 A499	Q458-S495 VanDerWaalsContact CB-OG 3.26Å; Q458-S495 WeakPolarHBondContact CB-OG 3.29Å; H462-S495 PolarHBondContact CD2-OG 3.03Å; H462-S495 PolarHBondContact NE2-OG 3.48Å; G491-S495 PolarHBondContact O-N 3.29Å; G491-S495 PolarHBondContact O-OG 3.08Å; N492-S495 WeakPolarHBondContact CA-OG 3.34Å; N492-S495 PolarHBondContact O-N 3.49Å; N492-S495 PolarHBondContact O-OG 3.36Å; A493-S495 VanDerWaalsContact C-N 3.32Å; A493-S495 PolarHBondContact O-N 2.81Å; S495-Y498 PolarHBondContact O-N 3.48Å; S495-A499 PolarHBondContact O-N 2.91Å
496	A	98.7	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-42.9	170.8	0	0	0	0	0	110.9	H462 I485 N492 A493 M494 Y498 A499 K500 I506 V509	H462-A496 PolarHBondContact CD2-N 3.15Å; I485-A496 HydrophobicContact CD1-CB 3.99Å; N492-A496 PolarHBondContact O-N 3.04Å; N492-A496 VanDerWaalsContact O-N 3.13Å; A493-A496 WeakPolarHBondContact O-CB 3.04Å; A493-A496 PolarHBondContact O-N 3.38Å; M494-A496 VanDerWaalsContact C-N 3.34Å; M494-A496 PolarHBondContact O-N 3.46Å; A496-Y498 VanDerWaalsContact C-N 3.31Å; A496-Y498 PolarHBondContact O-N 2.89Å; A496-A499 WeakPolarHBondContact O-CB 3.17Å; A496-A499 PolarHBondContact O-N 2.72Å; A496-K500 PolarHBondContact O-N 3.45Å; A496-I506 HydrophobicContact CB-CD1 4.28Å; A496-I506 WeakPolarHBondContact O-CD1 3.47Å; A496-V509 HydrophobicContact CB-CG1 4.33Å; A496-V509 HydrophobicContact CB-CG2 3.78Å
497	L	98.4	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-38.8	174.6	-66	171.5	0	0	0	111.8	F490 A493 M494 K500 Q501 V509 F554 E592 V593	F490-L497 HydrophobicContact CE1-CD1 4.42Å; A493-L497 PolarHBondContact O-N 3.27Å; A493-L497 VanDerWaalsContact O-N 3.11Å; M494-L497 HydrophobicContact CE-CB 4.29Å; M494-L497 HydrophobicContact CE-CD1 4.42Å; M494-L497 WeakPolarHBondContact O-CB 3.34Å; M494-L497 PolarHBondContact O-N 2.95Å; M494-L497 HydrophobicContact SD-CD1 4.2Å; L497-K500 VanDerWaalsContact O-CB 3.29Å; L497-K500 WeakPolarHBondContact O-CB 3.44Å; L497-K500 PolarHBondContact O-N 3.25Å; L497-Q501 WeakPolarHBondContact O-CG 3.46Å; L497-Q501 PolarHBondContact O-N 2.81Å; L497-V509 HydrophobicContact CD2-CB 4.26Å; L497-V509 HydrophobicContact CD2-CG2 3.72Å; L497-V509 HydrophobicContact CG-CG2 4.09Å; L497-F554 HydrophobicContact CD1-CD2 3.37Å; L497-F554 HydrophobicContact CD1-CE2 3.49Å; L497-F554 VanDerWaalsContact CD1-CE2 3.49Å; L497-F554 HydrophobicContact CD1-CG 4.34Å; L497-E592 HydrophobicContact CD2-CB 4.13Å; L497-V593 HydrophobicContact CD1-CG2 4Å; L497-V593 HydrophobicContact CD2-CG2 4.09Å
498	Y	98.2	Very high	97.2	Very high	8 Å²	8	19.3 Å²	19.3	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-38.2	173.9	-66.7	-37.6	0	0	0	113.3	F251 W452 L455 V459 M494 S495 A496 K500 Q501 M502	F251-Y498 HydrophobicContact CD1-CG 4.48Å; F251-Y498 AromaticContact CD2-CD1 3.35Å; F251-Y498 HydrophobicContact CD2-CD1 3.35Å; F251-Y498 HydrophobicContact CD2-CD2 4.4Å; F251-Y498 AromaticContact CD2-CE1 3.73Å; F251-Y498 HydrophobicContact CD2-CE1 3.73Å; F251-Y498 AromaticContact CD2-CG 3.73Å; F251-Y498 HydrophobicContact CD2-CG 3.73Å; F251-Y498 HydrophobicContact CE1-CD2 4.32Å; F251-Y498 HydrophobicContact CE1-CG 4.06Å; F251-Y498 AromaticContact CE2-CD1 3.17Å; F251-Y498 HydrophobicContact CE2-CD1 3.17Å; F251-Y498 AromaticContact CE2-CD2 3.46Å; F251-Y498 HydrophobicContact CE2-CD2 3.46Å; F251-Y498 VanDerWaalsContact CE2-CD2 3.46Å; F251-Y498 AromaticContact CE2-CE1 3.38Å; F251-Y498 HydrophobicContact CE2-CE1 3.38Å; F251-Y498 AromaticContact CE2-CE2 3.66Å; F251-Y498 HydrophobicContact CE2-CE2 3.66Å; F251-Y498 AromaticContact CE2-CG 3.22Å; F251-Y498 HydrophobicContact CE2-CG 3.22Å; F251-Y498 AromaticContact CE2-CZ 3.62Å; F251-Y498 HydrophobicContact CG-CD1 4.18Å; F251-Y498 HydrophobicContact CG-CG 4.33Å; F251-Y498 AromaticContact CZ-CD1 3.9Å; F251-Y498 HydrophobicContact CZ-CD1 3.9Å; F251-Y498 AromaticContact CZ-CD2 3.4Å; F251-Y498 HydrophobicContact CZ-CD2 3.4Å; F251-Y498 VanDerWaalsContact CZ-CD2 3.4Å; F251-Y498 HydrophobicContact CZ-CE1 4.33Å; F251-Y498 AromaticContact CZ-CE2 3.91Å; F251-Y498 HydrophobicContact CZ-CE2 3.91Å; F251-Y498 AromaticContact CZ-CG 3.41Å; F251-Y498 HydrophobicContact CZ-CG 3.41Å; F251-Y498 VanDerWaalsContact CZ-CG 3.41Å; W452-Y498 AromaticContact CH2-CE2 3.86Å; W452-Y498 HydrophobicContact CH2-CE2 3.86Å; W452-Y498 HydrophobicContact CZ3-CE2 4.01Å; L455-Y498 HydrophobicContact CD1-CE2 4.22Å; L455-Y498 HydrophobicContact CD2-CD2 3.46Å; L455-Y498 VanDerWaalsContact CD2-CD2 3.46Å; L455-Y498 HydrophobicContact CD2-CE2 3.43Å; L455-Y498 VanDerWaalsContact CD2-CE2 3.43Å; V459-Y498 HydrophobicContact CG2-CD2 4.41Å; M494-Y498 HydrophobicContact CE-CD1 3.8Å; M494-Y498 HydrophobicContact CE-CD2 4.48Å; M494-Y498 HydrophobicContact CE-CE1 3.22Å; M494-Y498 HydrophobicContact CE-CE2 3.98Å; M494-Y498 HydrophobicContact CE-CG 4.41Å; M494-Y498 HydrophobicContact CG-CD2 4.19Å; M494-Y498 HydrophobicContact CG-CE2 3.61Å; M494-Y498 WeakPolarHBondContact O-CD2 3.2Å; M494-Y498 PolarHBondContact O-N 3.34Å; S495-Y498 PolarHBondContact O-N 3.48Å; A496-Y498 VanDerWaalsContact C-N 3.31Å; A496-Y498 PolarHBondContact O-N 2.89Å; Y498-K500 PolarHBondContact O-N 3.37Å; Y498-Q501 VanDerWaalsContact CD1-OE1 3.24Å; Y498-Q501 PolarHBondContact O-N 3.03Å; Y498-Q501 VanDerWaalsContact O-N 3.15Å; Y498-M502 WeakPolarHBondContact O-CG 3.39Å; Y498-M502 PolarHBondContact O-N 2.91Å
499	A	98.5	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-38.7	171.6	0	0	0	0	0	111.2	V459 H462 S495 A496 M502 G503 I504 I506	V459-A499 HydrophobicContact CG1-CB 3.99Å; H462-A499 HydrophobicContact CB-CB 3.88Å; S495-A499 PolarHBondContact O-N 2.91Å; A496-A499 WeakPolarHBondContact O-CB 3.17Å; A496-A499 PolarHBondContact O-N 2.72Å; A499-M502 PolarHBondContact O-N 2.91Å; A499-G503 PolarHBondContact O-N 2.9Å; A499-I504 HydrophobicContact CB-CG1 4.36Å; A499-I504 WeakPolarHBondContact O-CB 3.31Å; A499-I504 WeakPolarHBondContact O-CG1 3.47Å; A499-I504 PolarHBondContact O-N 3.32Å; A499-I504 VanDerWaalsContact O-N 3.08Å; A499-I506 HydrophobicContact CB-CD1 4.38Å
500	K	98.1	Very high	97.9	Very high	57 Å²	57	16 Å²	16	25%	0.248	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-46.6	172.2	-174.8	-177.2	178.9	166.8	0	112.2	A496 L497 Y498 M502 G503 I504 I506 R507	A496-K500 PolarHBondContact O-N 3.45Å; L497-K500 VanDerWaalsContact O-CB 3.29Å; L497-K500 WeakPolarHBondContact O-CB 3.44Å; L497-K500 PolarHBondContact O-N 3.25Å; Y498-K500 PolarHBondContact O-N 3.37Å; K500-M502 PolarHBondContact O-N 3.39Å; K500-G503 PolarHBondContact O-N 3.07Å; K500-I504 WeakPolarHBondContact CA-O 3.45Å; K500-I506 HydrophobicContact CB-CB 4.13Å; K500-I506 HydrophobicContact CD-CB 4.32Å; K500-I506 WeakPolarHBondContact CD-O 3.3Å; K500-I506 WeakPolarHBondContact CE-O 3.27Å; K500-I506 HydrophobicContact CG-CB 4.27Å; K500-I506 PolarHBondContact NZ-O 3.35Å; K500-I506 VanDerWaalsContact NZ-O 3.14Å; K500-R507 PolarHBondContact NZ-O 2.77Å; K500-R507 VanDerWaalsContact NZ-O 3.12Å
501	Q	96.8	Very high	98	Very high	72 Å²	72	15.9 Å²	15.9	34%	0.336	8%	0.083	S	C	.	.	H	α-helix	trans	-61.7	-30.7	176.1	-69.4	-162.6	-66.4	0	0	113.2	F251 L497 Y498 G503 H557	F251-Q501 HydrophobicContact CB-CB 4.27Å; L497-Q501 WeakPolarHBondContact O-CG 3.46Å; L497-Q501 PolarHBondContact O-N 2.81Å; Y498-Q501 VanDerWaalsContact CD1-OE1 3.24Å; Y498-Q501 PolarHBondContact O-N 3.03Å; Y498-Q501 VanDerWaalsContact O-N 3.15Å; Q501-G503 PolarHBondContact O-N 3.37Å; Q501-H557 PolarHBondContact NE2-CE1 2.84Å; Q501-H557 PolarHBondContact NE2-ND1 2.88Å
502	M	98	Very high	98.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	174.8	-66.3	178.5	71.2	0	0	113.7	F251 P252 V254 W259 L274 V459 Y498 A499 K500	F251-M502 HydrophobicContact CB-CG 4.05Å; F251-M502 HydrophobicContact CD1-CG 3.84Å; F251-M502 HydrophobicContact CD1-SD 3.86Å; F251-M502 HydrophobicContact CE1-SD 4.45Å; F251-M502 HydrophobicContact CG-CG 4.37Å; P252-M502 HydrophobicContact CG-CE 4.23Å; P252-M502 WeakPolarHBondContact O-CA 3.43Å; P252-M502 WeakPolarHBondContact O-CG 3.31Å; V254-M502 WeakPolarHBondContact CB-O 3.21Å; V254-M502 HydrophobicContact CG2-CB 4.46Å; V254-M502 HydrophobicContact CG2-CE 3.98Å; V254-M502 PolarHBondContact N-O 3.18Å; W259-M502 HydrophobicContact CH2-CB 4.42Å; W259-M502 HydrophobicContact CZ2-CB 3.92Å; W259-M502 WeakPolarHBondContact CZ2-O 3.45Å; W259-M502 PolarHBondContact NE1-O 3Å; L274-M502 HydrophobicContact CB-CE 4.48Å; L274-M502 HydrophobicContact CD2-CE 3.87Å; V459-M502 HydrophobicContact CG1-SD 3.6Å; Y498-M502 WeakPolarHBondContact O-CG 3.39Å; Y498-M502 PolarHBondContact O-N 2.91Å; A499-M502 PolarHBondContact O-N 2.91Å; K500-M502 PolarHBondContact O-N 3.39Å
503	G	97.7	Very high	98.1	Very high	27 Å²	27	15.1 Å²	15.1	28%	0.278	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.3	5.3	176.2	0	0	0	0	0	115.4	A499 K500 Q501 P505	A499-G503 PolarHBondContact O-N 2.9Å; K500-G503 PolarHBondContact O-N 3.07Å; Q501-G503 PolarHBondContact O-N 3.37Å; G503-P505 WeakPolarHBondContact O-CD 3.5Å
504	I	98.3	Very high	98	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.015	8%	0.076	C	C	.	.			trans	-70.7	128.2	170.7	-60.1	-65.2	0	0	0	109.5	W259 Y466 F477 A499 K500 I506	W259-I504 HydrophobicContact CD2-CD1 3.99Å; W259-I504 HydrophobicContact CE3-CD1 3.76Å; W259-I504 HydrophobicContact CH2-CD1 3.73Å; W259-I504 HydrophobicContact CH2-CG1 3.91Å; W259-I504 HydrophobicContact CZ2-CD1 3.94Å; W259-I504 HydrophobicContact CZ2-CG1 4.03Å; W259-I504 HydrophobicContact CZ3-CD1 3.64Å; W259-I504 HydrophobicContact CZ3-CG1 4.3Å; Y466-I504 HydrophobicContact CD1-CD1 4.14Å; Y466-I504 HydrophobicContact CD1-CG2 4.17Å; Y466-I504 HydrophobicContact CD2-CG2 3.55Å; Y466-I504 HydrophobicContact CE2-CG2 4.3Å; Y466-I504 HydrophobicContact CG-CD1 4.33Å; Y466-I504 HydrophobicContact CG-CG2 3.51Å; F477-I504 HydrophobicContact CE2-CD1 4.46Å; A499-I504 HydrophobicContact CB-CG1 4.36Å; A499-I504 WeakPolarHBondContact O-CB 3.31Å; A499-I504 WeakPolarHBondContact O-CG1 3.47Å; A499-I504 PolarHBondContact O-N 3.32Å; A499-I504 VanDerWaalsContact O-N 3.08Å; K500-I504 WeakPolarHBondContact CA-O 3.45Å; I504-I506 HydrophobicContact CB-CG1 4.45Å; I504-I506 HydrophobicContact CG2-CD1 4.32Å; I504-I506 HydrophobicContact CG2-CG1 3.79Å; I504-I506 PolarHBondContact O-N 3.43Å
505	P	97.8	Very high	97.9	Very high	32 Å²	32	17.1 Å²	17.1	21%	0.208	9%	0.085	C	C	.	.			trans	-69.4	55.4	179.6	-22	34.8	0	0	0	115.7	Y466 P480 L481 G503 R507	Y466-P505 HydrophobicContact CE1-CG 4.47Å; Y466-P505 HydrophobicContact CE2-CB 4.12Å; Y466-P505 HydrophobicContact CE2-CG 4.15Å; Y466-P505 VanDerWaalsContact CZ-CD 3.49Å; Y466-P505 WeakPolarHBondContact OH-CG 3.32Å; P480-P505 VanDerWaalsContact CA-O 3.31Å; P480-P505 WeakPolarHBondContact CA-O 3.16Å; L481-P505 PolarHBondContact N-O 3.09Å; L481-P505 VanDerWaalsContact N-O 3.15Å; G503-P505 WeakPolarHBondContact O-CD 3.5Å; P505-R507 PolarHBondContact O-N 3.13Å
506	I	98.4	Very high	97.7	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.026	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.4	172.3	-56.2	180	0	0	0	108.7	L481 V483 A496 A499 K500 I504 V509	L481-I506 HydrophobicContact CD1-CG1 4.38Å; L481-I506 CarbonylContact O-C 3.56Å; L481-I506 WeakPolarHBondContact O-CA 3.47Å; V483-I506 HydrophobicContact CG2-CD1 4.15Å; V483-I506 HydrophobicContact CG2-CG1 4.45Å; V483-I506 HydrophobicContact CG2-CG2 4.19Å; A496-I506 HydrophobicContact CB-CD1 4.28Å; A496-I506 WeakPolarHBondContact O-CD1 3.47Å; A499-I506 HydrophobicContact CB-CD1 4.38Å; K500-I506 HydrophobicContact CB-CB 4.13Å; K500-I506 HydrophobicContact CD-CB 4.32Å; K500-I506 WeakPolarHBondContact CD-O 3.3Å; K500-I506 WeakPolarHBondContact CE-O 3.27Å; K500-I506 HydrophobicContact CG-CB 4.27Å; K500-I506 PolarHBondContact NZ-O 3.35Å; K500-I506 VanDerWaalsContact NZ-O 3.14Å; I504-I506 HydrophobicContact CB-CG1 4.45Å; I504-I506 HydrophobicContact CG2-CD1 4.32Å; I504-I506 HydrophobicContact CG2-CG1 3.79Å; I504-I506 PolarHBondContact O-N 3.43Å; I506-V509 HydrophobicContact CG2-CG2 3.96Å
507	R	97.6	Very high	97.5	Very high	71 Å²	71	22.1 Å²	22.1	27%	0.268	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-62.9	178	-179.4	-173.6	77.5	139.3	-7.4	110	P480 L481 D482 K500 P505 D634 S636 C637	P480-R507 HydrophobicContact CB-CB 3.95Å; L481-R507 PolarHBondContact O-N 2.83Å; D482-R507 WeakPolarHBondContact OD1-CB 3.21Å; D482-R507 IonicContact OD1-CZ 2.69Å; D482-R507 IonicContact OD1-NE 2.74Å; D482-R507 PolarHBondContact OD1-NE 2.89Å; D482-R507 IonicContact OD1-NH2 3.66Å; D482-R507 IonicContact OD2-CZ 3.62Å; D482-R507 IonicContact OD2-NE 2.6Å; D482-R507 PolarHBondContact OD2-NE 3.19Å; D482-R507 IonicContact OD2-NH2 3.36Å; D482-R507 PolarHBondContact OD2-NH2 3.39Å; K500-R507 PolarHBondContact NZ-O 2.77Å; K500-R507 VanDerWaalsContact NZ-O 3.12Å; P505-R507 PolarHBondContact O-N 3.13Å; R507-D634 IonicContact CZ-OD1 2.72Å; R507-D634 IonicContact CZ-OD2 3.25Å; R507-D634 IonicContact NH1-OD1 3.89Å; R507-D634 IonicContact NH1-OD2 2.94Å; R507-D634 PolarHBondContact NH1-OD2 3.3Å; R507-D634 IonicContact NH2-OD1 2.74Å; R507-D634 PolarHBondContact NH2-OD1 3.01Å; R507-D634 IonicContact NH2-OD2 3.67Å; R507-D634 PolarHBondContact NH2-OD2 2.9Å; R507-D634 VanDerWaalsContact NH2-OD2 3.15Å; R507-S636 PolarHBondContact NH1-OG 3.2Å; R507-S636 PolarHBondContact NH2-OG 2.86Å; R507-C637 PolarHBondContact NE-SG 3.18Å
508	K	97.1	Very high	97.4	Very high	39 Å²	39	22.2 Å²	22.2	17%	0.17	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	175.1	-61.6	-63	-169.7	174	0	112.7	D482 V483 I510 Q590 Q591 Q594	D482-K508 WeakPolarHBondContact CA-O 3.28Å; D482-K508 WeakPolarHBondContact OD1-CB 3.23Å; D482-K508 PolarHBondContact OD1-N 2.99Å; V483-K508 PolarHBondContact N-O 3.25Å; K508-I510 HydrophobicContact CB-CG1 4.34Å; K508-Q590 PolarHBondContact NZ-O 3.08Å; K508-Q591 PolarHBondContact NZ-O 3.34Å; K508-Q594 HydrophobicContact CD-CG 4.32Å
509	V	98.6	Very high	97.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.4	161.1	178.2	0	0	0	0	108	V483 I485 A493 A496 L497 I506 E592 V593 Q594	V483-V509 CarbonylContact O-C 3.53Å; I485-V509 HydrophobicContact CD1-CG1 3.91Å; A493-V509 HydrophobicContact CB-CG1 4.01Å; A496-V509 HydrophobicContact CB-CG1 4.33Å; A496-V509 HydrophobicContact CB-CG2 3.78Å; L497-V509 HydrophobicContact CD2-CB 4.26Å; L497-V509 HydrophobicContact CD2-CG2 3.72Å; L497-V509 HydrophobicContact CG-CG2 4.09Å; I506-V509 HydrophobicContact CG2-CG2 3.96Å; V509-E592 PolarHBondContact N-O 2.9Å; V509-V593 HydrophobicContact CB-CG2 4.4Å; V509-V593 CarbonylContact O-C 3.57Å; V509-V593 WeakPolarHBondContact O-CA 3.29Å; V509-V593 WeakPolarHBondContact O-CG1 3.19Å; V509-Q594 PolarHBondContact O-N 3.06Å
510	I	98.6	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.7	-175.7	-54	171.2	0	0	0	108.7	D482 V483 C484 I485 K508 Q594 V628 L632	D482-I510 HydrophobicContact CB-CD1 4.16Å; V483-I510 PolarHBondContact O-N 3.44Å; C484-I510 CarbonylContact C-O 3.54Å; C484-I510 WeakPolarHBondContact CA-O 3.2Å; C484-I510 HydrophobicContact CB-CB 4.04Å; C484-I510 HydrophobicContact CB-CG2 4.43Å; I485-I510 PolarHBondContact N-O 3.42Å; K508-I510 HydrophobicContact CB-CG1 4.34Å; I510-Q594 CarbonylContact C-O 3.56Å; I510-Q594 WeakPolarHBondContact CA-O 3.16Å; I510-Q594 HydrophobicContact CG1-CB 4.37Å; I510-V628 HydrophobicContact CG2-CG1 3.81Å; I510-L632 HydrophobicContact CG2-CD1 3.69Å
511	C	98.6	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.5	176.3	-65.1	0	0	0	0	110.7	T487 F490 V519 L523 Q594 A595 G596	T487-C511 HydrophobicContact CG2-CB 4.19Å; F490-C511 WeakPolarHBondContact CE2-SG 3.48Å; C511-V519 HydrophobicContact CB-CG1 4.35Å; C511-L523 HydrophobicContact CB-CD1 4.14Å; C511-Q594 PolarHBondContact N-O 3.49Å; C511-A595 HydrophobicContact CB-CB 4.12Å; C511-A595 VanDerWaalsContact O-CA 3.22Å; C511-A595 WeakPolarHBondContact O-CA 3.48Å; C511-G596 PolarHBondContact O-N 3.41Å
512	A	98.6	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.9	177.1	0	0	0	0	0	110.6	I485 P486 T487 V624 A625 V628	I485-A512 PolarHBondContact O-N 3.39Å; P486-A512 CarbonylContact C-O 3.57Å; P486-A512 WeakPolarHBondContact CA-O 3.41Å; T487-A512 PolarHBondContact N-O 2.79Å; A512-V624 HydrophobicContact CB-CG1 3.94Å; A512-A625 HydrophobicContact CB-CB 4.32Å; A512-V628 HydrophobicContact CB-CB 3.65Å; A512-V628 HydrophobicContact CB-CG1 3.98Å; A512-V628 HydrophobicContact CB-CG2 3.69Å
513	S	98.1	Very high	97	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	156.4	171.8	-64.2	0	0	0	0	110.9	S520 G596 W597 C598 V624	S513-S520 WeakPolarHBondContact CB-OG 3.48Å; S513-S520 PolarHBondContact OG-OG 2.67Å; S513-G596 PolarHBondContact N-O 3.07Å; S513-G596 VanDerWaalsContact N-O 3.08Å; S513-W597 CarbonylContact O-C 3.43Å; S513-W597 WeakPolarHBondContact O-CA 3.42Å; S513-C598 PolarHBondContact O-N 2.84Å; S513-V624 WeakPolarHBondContact O-CG1 3.46Å
514	N	96.4	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.			trans	-80.1	-157.2	160.2	63.2	13.2	0	0	0	109.5	N516 S538 S540 I543 D544 C598 V624	N514-N516 PolarHBondContact O-N 2.94Å; N514-N516 VanDerWaalsContact O-N 3.1Å; N514-N516 VanDerWaalsContact OD1-CB 3.29Å; N514-N516 WeakPolarHBondContact OD1-CB 3.33Å; N514-N516 PolarHBondContact OD1-N 3.2Å; N514-N516 PolarHBondContact OD1-ND2 3.38Å; N514-S538 WeakPolarHBondContact ND2-CB 3.33Å; N514-S538 PolarHBondContact ND2-OG 3.4Å; N514-S540 PolarHBondContact ND2-OG 2.71Å; N514-I543 HydrophobicContact CB-CD1 4.19Å; N514-D544 PolarHBondContact ND2-OD1 3.04Å; N514-C598 CarbonylContact C-O 3.39Å; N514-C598 WeakPolarHBondContact CA-O 3.29Å; N514-V624 HydrophobicContact CB-CG2 4.32Å
515	H	94.8	Very high	96.7	Very high	42 Å²	42	23.2 Å²	23.2	19%	0.194	12%	0.119	C	C	.	.	S	Bend	trans	-60.8	-17.4	176.8	56.7	-115.4	0	0	0	114.3	R517 L536 L537 S538 C598 E600	H515-R517 PolarHBondContact O-N 3.02Å; H515-L536 WeakPolarHBondContact CD2-CB 3.39Å; H515-L536 VanDerWaalsContact NE2-CB 3.28Å; H515-L536 WeakPolarHBondContact NE2-CB 3.32Å; H515-L536 PolarHBondContact NE2-O 3.24Å; H515-L537 PolarHBondContact CE1-O 2.82Å; H515-S538 WeakPolarHBondContact CE1-CB 3.29Å; H515-C598 PolarHBondContact N-O 2.84Å; H515-E600 IonicContact CE1-OE1 3.39Å; H515-E600 IonicContact ND1-OE1 2.8Å
516	N	94.6	Very high	96.6	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.048	11%	0.109	C	C	.	.			trans	-78.2	67.2	168.2	-60.9	-73.4	0	0	0	110.6	N514 V518 L536 D544	N514-N516 PolarHBondContact O-N 2.94Å; N514-N516 VanDerWaalsContact O-N 3.1Å; N514-N516 VanDerWaalsContact OD1-CB 3.29Å; N514-N516 WeakPolarHBondContact OD1-CB 3.33Å; N514-N516 PolarHBondContact OD1-N 3.2Å; N514-N516 PolarHBondContact OD1-ND2 3.38Å; N516-V518 VanDerWaalsContact C-N 3.32Å; N516-V518 PolarHBondContact O-N 2.83Å; N516-L536 PolarHBondContact ND2-O 3.44Å; N516-L536 PolarHBondContact OD1-N 3.47Å; N516-D544 PolarHBondContact ND2-OD1 3.25Å
517	R	95.2	Very high	96.5	Very high	96 Å²	96	24.6 Å²	24.6	36%	0.362	12%	0.122	S	C	.	.			trans	-87.5	30.2	-166.9	64.1	176.4	-174.1	-145	-3.4	115.8	H515 V519 S520 D521 W597	H515-R517 PolarHBondContact O-N 3.02Å; R517-V519 VanDerWaalsContact C-N 3.27Å; R517-V519 PolarHBondContact O-N 3.11Å; R517-S520 PolarHBondContact O-N 3.02Å; R517-D521 WeakPolarHBondContact CD-OD1 3.31Å; R517-D521 IonicContact NE-OD1 3.54Å; R517-D521 PolarHBondContact NE-OD1 2.78Å; R517-D521 IonicContact NE-OD2 3.45Å; R517-D521 WeakPolarHBondContact O-CB 3.48Å; R517-D521 VanDerWaalsContact O-CG 3.26Å; R517-D521 PolarHBondContact O-N 3.01Å; R517-W597 HydrophobicContact CB-CB 3.94Å; R517-W597 HydrophobicContact CB-CG 4.19Å; R517-W597 VanDerWaalsContact NH1-CE2 3.33Å; R517-W597 VanDerWaalsContact NH1-CZ2 3.26Å
518	V	95.4	Very high	96.5	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-58.1	-38.8	-179.4	65.1	0	0	0	0	112.6	N516 F522 Y528 L530 I545 L546	N516-V518 VanDerWaalsContact C-N 3.32Å; N516-V518 PolarHBondContact O-N 2.83Å; V518-F522 VanDerWaalsContact O-CB 3.24Å; V518-F522 WeakPolarHBondContact O-CB 3.42Å; V518-F522 PolarHBondContact O-N 2.53Å; V518-Y528 HydrophobicContact CG2-CE1 4.13Å; V518-Y528 HydrophobicContact CG2-CE2 4.02Å; V518-L530 HydrophobicContact CG2-CD2 3.85Å; V518-I545 HydrophobicContact CG1-CD1 3.71Å; V518-L546 WeakPolarHBondContact CG1-O 3.34Å
519	V	95.3	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70	-44.7	177.8	174.5	0	0	0	0	110.7	T487 F490 C511 R517 F522 L523 I545	T487-V519 HydrophobicContact CG2-CG1 4.23Å; F490-V519 HydrophobicContact CD2-CG1 4.03Å; F490-V519 HydrophobicContact CE2-CG1 4.01Å; C511-V519 HydrophobicContact CB-CG1 4.35Å; R517-V519 VanDerWaalsContact C-N 3.27Å; R517-V519 PolarHBondContact O-N 3.11Å; V519-F522 PolarHBondContact O-N 3.31Å; V519-L523 HydrophobicContact CG1-CD1 3.78Å; V519-L523 WeakPolarHBondContact O-CB 3.48Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 3.43Å; V519-I545 HydrophobicContact CG2-CD1 4.06Å
520	S	95.9	Very high	96.2	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-40.8	179.5	-47.9	0	0	0	0	112.5	S513 R517 S524 G596	S513-S520 WeakPolarHBondContact CB-OG 3.48Å; S513-S520 PolarHBondContact OG-OG 2.67Å; R517-S520 PolarHBondContact O-N 3.02Å; S520-S524 WeakPolarHBondContact O-CB 3.41Å; S520-S524 PolarHBondContact O-N 3.43Å; S520-S524 VanDerWaalsContact O-N 3.13Å; S520-S524 PolarHBondContact O-OG 3.05Å; S520-G596 PolarHBondContact OG-O 3.29Å
521	D	96.6	Very high	96	Very high	37 Å²	37	27.1 Å²	27.1	20%	0.198	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-47.3	174.6	-69.2	-13	0	0	0	110.2	R517 L523 S524 T525 R533	R517-D521 WeakPolarHBondContact CD-OD1 3.31Å; R517-D521 IonicContact NE-OD1 3.54Å; R517-D521 PolarHBondContact NE-OD1 2.78Å; R517-D521 IonicContact NE-OD2 3.45Å; R517-D521 WeakPolarHBondContact O-CB 3.48Å; R517-D521 VanDerWaalsContact O-CG 3.26Å; R517-D521 PolarHBondContact O-N 3.01Å; D521-L523 PolarHBondContact O-N 3.2Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.11Å; D521-T525 PolarHBondContact O-N 2.6Å; D521-T525 PolarHBondContact O-OG1 3.22Å; D521-R533 IonicContact OD2-CZ 3.78Å; D521-R533 IonicContact OD2-NH1 3.75Å; D521-R533 PolarHBondContact OD2-NH1 2.89Å; D521-R533 IonicContact OD2-NH2 2.67Å; D521-R533 PolarHBondContact OD2-NH2 3.34Å
522	F	96.9	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-47.8	177.5	168.4	-105.1	0	0	0	112.9	V518 V519 S524 T525 G526 Q527 Y528 L551 I555 F579 L581 M589	V518-F522 VanDerWaalsContact O-CB 3.24Å; V518-F522 WeakPolarHBondContact O-CB 3.42Å; V518-F522 PolarHBondContact O-N 2.53Å; V519-F522 PolarHBondContact O-N 3.31Å; F522-S524 PolarHBondContact O-N 3.18Å; F522-T525 PolarHBondContact O-N 2.72Å; F522-G526 VanDerWaalsContact O-CA 3.24Å; F522-G526 WeakPolarHBondContact O-CA 3.4Å; F522-G526 PolarHBondContact O-N 2.51Å; F522-Q527 WeakPolarHBondContact CA-O 3.38Å; F522-Y528 HydrophobicContact CB-CD2 3.94Å; F522-Y528 HydrophobicContact CD1-CD2 4.44Å; F522-Y528 AromaticContact CD2-CD2 3.84Å; F522-Y528 HydrophobicContact CD2-CD2 3.84Å; F522-Y528 HydrophobicContact CD2-CG 4.27Å; F522-Y528 HydrophobicContact CE2-CD2 4.44Å; F522-Y528 AromaticContact CG-CD2 3.8Å; F522-Y528 HydrophobicContact CG-CD2 3.8Å; F522-L551 HydrophobicContact CD1-CD1 4.04Å; F522-L551 HydrophobicContact CD1-CD2 3.65Å; F522-L551 HydrophobicContact CD1-CG 4.34Å; F522-L551 HydrophobicContact CE1-CD1 3.78Å; F522-L551 HydrophobicContact CE1-CD2 3.69Å; F522-L551 HydrophobicContact CE1-CG 3.99Å; F522-L551 HydrophobicContact CG-CD2 4.24Å; F522-L551 HydrophobicContact CZ-CD2 4.29Å; F522-I555 HydrophobicContact CZ-CD1 4.14Å; F522-I555 HydrophobicContact CZ-CG1 4.19Å; F522-F579 HydrophobicContact CD2-CE2 4.48Å; F522-F579 AromaticContact CE2-CE2 3.69Å; F522-F579 HydrophobicContact CE2-CE2 3.69Å; F522-F579 HydrophobicContact CE2-CZ 4.09Å; F522-F579 HydrophobicContact CZ-CE2 4.38Å; F522-L581 HydrophobicContact CE2-CD1 3.73Å; F522-L581 HydrophobicContact CE2-CD2 3.97Å; F522-L581 HydrophobicContact CE2-CG 3.7Å; F522-L581 HydrophobicContact CZ-CD1 3.65Å; F522-L581 HydrophobicContact CZ-CD2 3.97Å; F522-L581 HydrophobicContact CZ-CG 3.98Å; F522-M589 HydrophobicContact CE1-CE 4.27Å; F522-M589 HydrophobicContact CE1-SD 3.92Å; F522-M589 HydrophobicContact CZ-CE 3.94Å; F522-M589 HydrophobicContact CZ-SD 3.95Å
523	L	96.1	Very high	95.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-20.3	179.6	-71.4	166.9	0	0	0	112.7	F490 C511 V519 D521 F554 L586 Q590 V593 A595	F490-L523 HydrophobicContact CE2-CD1 4.3Å; C511-L523 HydrophobicContact CB-CD1 4.14Å; V519-L523 HydrophobicContact CG1-CD1 3.78Å; V519-L523 WeakPolarHBondContact O-CB 3.48Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 3.43Å; D521-L523 PolarHBondContact O-N 3.2Å; L523-F554 HydrophobicContact CD2-CE1 3.84Å; L523-L586 WeakPolarHBondContact O-CD1 3.5Å; L523-Q590 PolarHBondContact O-NE2 3.12Å; L523-V593 HydrophobicContact CD1-CG1 3.67Å; L523-V593 HydrophobicContact CD2-CB 4.37Å; L523-V593 HydrophobicContact CD2-CG1 4.1Å; L523-A595 HydrophobicContact CB-CB 3.97Å; L523-A595 HydrophobicContact CD1-CB 3.61Å; L523-A595 HydrophobicContact CG-CB 4.44Å
524	S	94.8	Very high	94.9	Very high	70 Å²	70	38.6 Å²	38.6	49%	0.49	22%	0.219	S	C	.	.	H	α-helix	trans	-86	-41.4	176.9	-57.5	0	0	0	0	112.3	S520 D521 F522 Q590	S520-S524 WeakPolarHBondContact O-CB 3.41Å; S520-S524 PolarHBondContact O-N 3.43Å; S520-S524 VanDerWaalsContact O-N 3.13Å; S520-S524 PolarHBondContact O-OG 3.05Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.11Å; F522-S524 PolarHBondContact O-N 3.18Å; S524-Q590 PolarHBondContact O-NE2 3.49Å
525	T	95.6	Very high	94.5	Very high	73 Å²	73	42.6 Å²	42.6	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-110.6	-16.3	-169	67.5	0	0	0	0	114.4	D521 F522 Q527 Q580	D521-T525 PolarHBondContact O-N 2.6Å; D521-T525 PolarHBondContact O-OG1 3.22Å; F522-T525 PolarHBondContact O-N 2.72Å; T525-Q527 PolarHBondContact O-N 3.31Å; T525-Q527 WeakPolarHBondContact OG1-CB 3.42Å; T525-Q527 PolarHBondContact OG1-N 3.32Å; T525-Q527 VanDerWaalsContact OG1-N 3.08Å; T525-Q580 PolarHBondContact O-NE2 2.95Å
526	G	95.9	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	71.6	4.2	-168.3	0	0	0	0	0	114.1	F522 Q580 L581	F522-G526 VanDerWaalsContact O-CA 3.24Å; F522-G526 WeakPolarHBondContact O-CA 3.4Å; F522-G526 PolarHBondContact O-N 2.51Å; G526-Q580 PolarHBondContact O-NE2 3.1Å; G526-L581 WeakPolarHBondContact O-CG 3.48Å; G526-L581 PolarHBondContact O-N 2.86Å
527	Q	96.4	Very high	94.1	Very high	67 Å²	67	51.6 Å²	51.6	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.7	178.3	-166.4	-178.6	-11	0	0	109.9	F522 T525 D529 Q580	F522-Q527 WeakPolarHBondContact CA-O 3.38Å; T525-Q527 PolarHBondContact O-N 3.31Å; T525-Q527 WeakPolarHBondContact OG1-CB 3.42Å; T525-Q527 PolarHBondContact OG1-N 3.32Å; T525-Q527 VanDerWaalsContact OG1-N 3.08Å; Q527-D529 HydrophobicContact CG-CB 4.22Å; Q527-D529 PolarHBondContact NE2-OD2 3.19Å; Q527-Q580 VanDerWaalsContact CB-OE1 3.27Å
528	Y	96.8	Very high	93.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	100.5	171.2	-161.7	-80.9	0	0	0	108	V518 F522 L530 L546 K547 S548 L551 L573 R578 F579	V518-Y528 HydrophobicContact CG2-CE1 4.13Å; V518-Y528 HydrophobicContact CG2-CE2 4.02Å; F522-Y528 HydrophobicContact CB-CD2 3.94Å; F522-Y528 HydrophobicContact CD1-CD2 4.44Å; F522-Y528 AromaticContact CD2-CD2 3.84Å; F522-Y528 HydrophobicContact CD2-CD2 3.84Å; F522-Y528 HydrophobicContact CD2-CG 4.27Å; F522-Y528 HydrophobicContact CE2-CD2 4.44Å; F522-Y528 AromaticContact CG-CD2 3.8Å; F522-Y528 HydrophobicContact CG-CD2 3.8Å; Y528-L530 HydrophobicContact CD1-CD2 4.3Å; Y528-L530 HydrophobicContact CD1-CG 4.27Å; Y528-L530 HydrophobicContact CE1-CD1 4.12Å; Y528-L530 HydrophobicContact CE1-CD2 3.6Å; Y528-L530 HydrophobicContact CE1-CG 3.86Å; Y528-L546 PolarHBondContact OH-O 3.16Å; Y528-K547 VanDerWaalsContact OH-CA 3.27Å; Y528-K547 WeakPolarHBondContact OH-CA 3.45Å; Y528-S548 PolarHBondContact OH-N 3.41Å; Y528-L551 HydrophobicContact CD2-CD2 3.52Å; Y528-L551 HydrophobicContact CE2-CD2 3.31Å; Y528-L573 HydrophobicContact CD1-CD1 3.6Å; Y528-L573 HydrophobicContact CD1-CD2 4.22Å; Y528-L573 HydrophobicContact CE1-CD1 3.99Å; Y528-L573 HydrophobicContact CE1-CD2 4.13Å; Y528-R578 CarbonylContact O-C 3.6Å; Y528-R578 WeakPolarHBondContact O-CA 3.34Å; Y528-F579 VanDerWaalsContact CB-CE1 3.46Å; Y528-F579 HydrophobicContact CD1-CE1 4.02Å; Y528-F579 HydrophobicContact CD2-CZ 4.24Å; Y528-F579 HydrophobicContact CG-CD1 4.46Å; Y528-F579 AromaticContact CG-CE1 3.74Å; Y528-F579 HydrophobicContact CG-CE1 3.74Å; Y528-F579 AromaticContact CG-CZ 3.8Å; Y528-F579 HydrophobicContact CG-CZ 3.8Å; Y528-F579 PolarHBondContact N-O 3.22Å; Y528-F579 PolarHBondContact O-N 3.29Å
529	D	96	Very high	93.8	Very high	25 Å²	25	50.1 Å²	50.1	13%	0.134	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	-172.4	-159.6	-27.2	0	0	0	111.7	Q527 Q531 R533 R578	Q527-D529 HydrophobicContact CG-CB 4.22Å; Q527-D529 PolarHBondContact NE2-OD2 3.19Å; D529-Q531 VanDerWaalsContact OD1-CB 3.24Å; D529-Q531 WeakPolarHBondContact OD1-CB 3.46Å; D529-Q531 WeakPolarHBondContact OD1-CG 3.45Å; D529-Q531 PolarHBondContact OD1-N 3.2Å; D529-R533 WeakPolarHBondContact O-CD 3.37Å; D529-R533 PolarHBondContact O-NE 3.4Å; D529-R578 HydrophobicContact CB-CB 4.3Å
530	L	94.4	Very high	93.7	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.168	29%	0.287	C	S	.	.			trans	-102.6	-5.1	175.8	-54.7	-178	0	0	0	112.7	V518 Y528 G532 R533 L546 L573 K577	V518-L530 HydrophobicContact CG2-CD2 3.85Å; Y528-L530 HydrophobicContact CD1-CD2 4.3Å; Y528-L530 HydrophobicContact CD1-CG 4.27Å; Y528-L530 HydrophobicContact CE1-CD1 4.12Å; Y528-L530 HydrophobicContact CE1-CD2 3.6Å; Y528-L530 HydrophobicContact CE1-CG 3.86Å; L530-G532 PolarHBondContact O-N 2.99Å; L530-R533 PolarHBondContact O-N 2.86Å; L530-L546 HydrophobicContact CD2-CB 4.3Å; L530-L546 WeakPolarHBondContact CD2-O 3.49Å; L530-L573 HydrophobicContact CD1-CD1 3.88Å; L530-L573 HydrophobicContact CG-CD1 4.13Å; L530-K577 WeakPolarHBondContact CA-O 3.37Å; L530-K577 HydrophobicContact CB-CB 4.25Å; L530-K577 VanDerWaalsContact CB-O 3.31Å; L530-K577 WeakPolarHBondContact CB-O 3.1Å; L530-K577 PolarHBondContact N-O 3.1Å
531	Q	93.8	Very high	93.4	Very high	102 Å²	102	52.1 Å²	52.1	48%	0.477	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	126.6	-177.1	-62.5	-173.8	-17.6	0	0	110.2	D529 R533 Q576 K577	D529-Q531 VanDerWaalsContact OD1-CB 3.24Å; D529-Q531 WeakPolarHBondContact OD1-CB 3.46Å; D529-Q531 WeakPolarHBondContact OD1-CG 3.45Å; D529-Q531 PolarHBondContact OD1-N 3.2Å; Q531-R533 PolarHBondContact O-N 3.36Å; Q531-R533 VanDerWaalsContact O-N 3.11Å; Q531-Q576 PolarHBondContact NE2-O 3.18Å; Q531-K577 HydrophobicContact CG-CB 4.06Å
532	G	88.5	Confident	93	Very high	83 Å²	83	52 Å²	52	86%	0.856	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	10.6	176.9	0	0	0	0	0	115.4	L530 P534	L530-G532 PolarHBondContact O-N 2.99Å; G532-P534 WeakPolarHBondContact O-CD 3.3Å
533	R	92.1	Very high	92.8	Very high	75 Å²	75	52.4 Å²	52.4	28%	0.283	31%	0.306	S	S	.	.			trans	-89.8	107.9	176.7	-65.9	-166.3	-176.7	-132.5	-0.3	110.9	D521 D529 L530 Q531 L546	D521-R533 IonicContact OD2-CZ 3.78Å; D521-R533 IonicContact OD2-NH1 3.75Å; D521-R533 PolarHBondContact OD2-NH1 2.89Å; D521-R533 IonicContact OD2-NH2 2.67Å; D521-R533 PolarHBondContact OD2-NH2 3.34Å; D529-R533 WeakPolarHBondContact O-CD 3.37Å; D529-R533 PolarHBondContact O-NE 3.4Å; L530-R533 PolarHBondContact O-N 2.86Å; Q531-R533 PolarHBondContact O-N 3.36Å; Q531-R533 VanDerWaalsContact O-N 3.11Å; R533-L546 HydrophobicContact CB-CD2 4.04Å
534	P	90.5	Very high	92.6	Very high	85 Å²	85	53 Å²	53	55%	0.552	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-73.5	148.9	169.2	32.1	-34.5	0	0	0	110.2	G532 L536	G532-P534 WeakPolarHBondContact O-CD 3.3Å; P534-L536 HydrophobicContact CB-CD2 4.47Å; P534-L536 HydrophobicContact CG-CD2 3.99Å; P534-L536 HydrophobicContact CG-CG 4.44Å; P534-L536 PolarHBondContact O-N 3.3Å
535	L	88.9	Confident	92.3	Very high	83 Å²	83	50.6 Å²	50.6	44%	0.435	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-74.3	119.9	166.2	-175	72.2	0	0	0	108.2	D544 L546	L535-D544 HydrophobicContact CD1-CB 4.16Å; L535-L546 HydrophobicContact CB-CD1 4.06Å; L535-L546 HydrophobicContact CB-CG 4.22Å; L535-L546 HydrophobicContact CD1-CG 4Å
536	L	90.8	Very high	91.9	Very high	84 Å²	84	49.5 Å²	49.5	44%	0.44	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-103.1	123.2	-177.2	-63	176.6	0	0	0	109.9	H515 N516 P534	H515-L536 WeakPolarHBondContact CD2-CB 3.39Å; H515-L536 VanDerWaalsContact NE2-CB 3.28Å; H515-L536 WeakPolarHBondContact NE2-CB 3.32Å; H515-L536 PolarHBondContact NE2-O 3.24Å; N516-L536 PolarHBondContact ND2-O 3.44Å; N516-L536 PolarHBondContact OD1-N 3.47Å; P534-L536 HydrophobicContact CB-CD2 4.47Å; P534-L536 HydrophobicContact CG-CD2 3.99Å; P534-L536 HydrophobicContact CG-CG 4.44Å; P534-L536 PolarHBondContact O-N 3.3Å
537	L	89.9	Confident	91.5	Very high	157 Å²	157	53.6 Å²	53.6	82%	0.822	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-64.6	136.7	176.7	-60.6	177.6	0	0	0	111	H515	H515-L537 PolarHBondContact CE1-O 2.82Å
538	S	91.9	Very high	91.3	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	29%	0.286	C	S	.	.			trans	-128.4	173.9	179.4	75.5	0	0	0	0	113.2	N514 H515 S540 D544 E600	N514-S538 WeakPolarHBondContact ND2-CB 3.33Å; N514-S538 PolarHBondContact ND2-OG 3.4Å; H515-S538 WeakPolarHBondContact CE1-CB 3.29Å; S538-S540 PolarHBondContact O-N 3.26Å; S538-S540 WeakPolarHBondContact OG-CA 3.5Å; S538-S540 PolarHBondContact OG-N 3.45Å; S538-S540 PolarHBondContact OG-O 2.87Å; S538-S540 PolarHBondContact OG-OG 3.06Å; S538-D544 VanDerWaalsContact CB-OD1 3.27Å; S538-D544 WeakPolarHBondContact CB-OD1 3.43Å; S538-D544 PolarHBondContact N-OD2 2.92Å; S538-D544 VanDerWaalsContact OG-CG 3.26Å; S538-D544 PolarHBondContact OG-OD1 2.86Å; S538-D544 PolarHBondContact OG-OD2 3.08Å; S538-E600 WeakPolarHBondContact CB-OE1 3.44Å
539	H	93.3	Very high	90.9	Very high	50 Å²	50	51.6 Å²	51.6	23%	0.231	29%	0.294	C	S	.	.	S	Bend	trans	-71.9	-9.8	166.5	-68.7	-41.6	0	0	0	113.1	P541 E600 T620 A653 K656	H539-P541 WeakPolarHBondContact O-CD 3.14Å; H539-E600 WeakPolarHBondContact CB-OE2 3.46Å; H539-E600 IonicContact CD2-OE2 3.4Å; H539-E600 PolarHBondContact CD2-OE2 2.91Å; H539-E600 IonicContact CG-OE2 3.44Å; H539-E600 PolarHBondContact N-OE2 2.67Å; H539-E600 IonicContact NE2-OE2 2.99Å; H539-T620 HydrophobicContact CB-CG2 3.97Å; H539-T620 VanDerWaalsContact O-CB 3.29Å; H539-T620 WeakPolarHBondContact O-CB 3.44Å; H539-T620 WeakPolarHBondContact O-CG2 3.31Å; H539-T620 PolarHBondContact O-OG1 3.49Å; H539-A653 HydrophobicContact CB-CB 3.95Å; H539-K656 PolarHBondContact NE2-NZ 3.3Å
540	S	93.1	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.287	C	S	.	.			trans	-118.9	64.6	176.3	66.1	0	0	0	0	111.6	N514 S538 A542 I543 H621	N514-S540 PolarHBondContact ND2-OG 2.71Å; S538-S540 PolarHBondContact O-N 3.26Å; S538-S540 WeakPolarHBondContact OG-CA 3.5Å; S538-S540 PolarHBondContact OG-N 3.45Å; S538-S540 PolarHBondContact OG-O 2.87Å; S538-S540 PolarHBondContact OG-OG 3.06Å; S540-A542 PolarHBondContact O-N 3.31Å; S540-A542 VanDerWaalsContact O-N 3.1Å; S540-I543 VanDerWaalsContact O-CG1 3.23Å; S540-I543 WeakPolarHBondContact O-CG1 3.26Å; S540-I543 PolarHBondContact O-N 3.36Å; S540-H621 WeakPolarHBondContact CA-NE2 3.46Å; S540-H621 PolarHBondContact O-NE2 3.4Å
541	P	90.1	Very high	90.9	Very high	44 Å²	44	49 Å²	49	29%	0.286	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.6	-165.4	27.4	-37.4	0	0	0	114.6	H539 I543 D544 F650	H539-P541 WeakPolarHBondContact O-CD 3.14Å; P541-I543 PolarHBondContact O-N 2.94Å; P541-D544 WeakPolarHBondContact CA-OD2 3.43Å; P541-D544 PolarHBondContact O-N 3.47Å; P541-F650 HydrophobicContact CG-CD1 4.36Å; P541-F650 HydrophobicContact CG-CE1 3.8Å
542	A	88.3	Confident	91	Very high	34 Å²	34	44.3 Å²	44.3	28%	0.281	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-73.1	-11.3	179.5	0	0	0	0	0	113.2	S540 H621	S540-A542 PolarHBondContact O-N 3.31Å; S540-A542 VanDerWaalsContact O-N 3.1Å; A542-H621 WeakPolarHBondContact CB-NE2 3.48Å; A542-H621 PolarHBondContact N-NE2 2.92Å; A542-H621 VanDerWaalsContact N-NE2 3.17Å
543	I	92.4	Very high	91.4	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.046	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-116.1	10.7	174.3	63.1	169.9	0	0	0	112.9	P486 N514 S540 P541 I545 V624	P486-I543 HydrophobicContact CB-CD1 4.38Å; N514-I543 HydrophobicContact CB-CD1 4.19Å; S540-I543 VanDerWaalsContact O-CG1 3.23Å; S540-I543 WeakPolarHBondContact O-CG1 3.26Å; S540-I543 PolarHBondContact O-N 3.36Å; P541-I543 PolarHBondContact O-N 2.94Å; I543-I545 PolarHBondContact O-N 3Å; I543-V624 HydrophobicContact CD1-CB 4.44Å; I543-V624 HydrophobicContact CD1-CG1 4.04Å; I543-V624 HydrophobicContact CD1-CG2 4.44Å
544	D	91.5	Very high	91.7	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.102	20%	0.204	C	C	.	.			trans	-72.1	92.1	168	-71	-9.7	0	0	0	109.1	N514 N516 L535 S538 P541	N514-D544 PolarHBondContact ND2-OD1 3.04Å; N516-D544 PolarHBondContact ND2-OD1 3.25Å; L535-D544 HydrophobicContact CD1-CB 4.16Å; S538-D544 VanDerWaalsContact CB-OD1 3.27Å; S538-D544 WeakPolarHBondContact CB-OD1 3.43Å; S538-D544 PolarHBondContact N-OD2 2.92Å; S538-D544 VanDerWaalsContact OG-CG 3.26Å; S538-D544 PolarHBondContact OG-OD1 2.86Å; S538-D544 PolarHBondContact OG-OD2 3.08Å; P541-D544 WeakPolarHBondContact CA-OD2 3.43Å; P541-D544 PolarHBondContact O-N 3.47Å
545	I	87.9	Confident	92	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.092	18%	0.178	C	C	.	.			trans	-137	147.5	-176.6	65.8	99.9	0	0	0	112.7	V518 V519 I543	V518-I545 HydrophobicContact CG1-CD1 3.71Å; V519-I545 HydrophobicContact CG2-CD1 4.06Å; I543-I545 PolarHBondContact O-N 3Å
546	L	87.4	Confident	92.4	Very high	51 Å²	51	29.8 Å²	29.8	27%	0.267	16%	0.162	S	C	.	.	S	Bend	trans	-106.1	-43.9	168.7	-66.6	178.9	0	0	0	112	V518 Y528 L530 R533 L535	V518-L546 WeakPolarHBondContact CG1-O 3.34Å; Y528-L546 PolarHBondContact OH-O 3.16Å; L530-L546 HydrophobicContact CD2-CB 4.3Å; L530-L546 WeakPolarHBondContact CD2-O 3.49Å; R533-L546 HydrophobicContact CB-CD2 4.04Å; L535-L546 HydrophobicContact CB-CD1 4.06Å; L535-L546 HydrophobicContact CB-CG 4.22Å; L535-L546 HydrophobicContact CD1-CG 4Å
547	K	88.1	Confident	92.6	Very high	86 Å²	86	27.6 Å²	27.6	37%	0.374	15%	0.149	S	C	.	.	S	Bend	trans	-105.7	115.7	176.6	-166.2	169.5	-179.8	173	0	109.5	N489 Y528 L573 D574	N489-K547 PolarHBondContact OD1-O 3.19Å; Y528-K547 VanDerWaalsContact OH-CA 3.27Å; Y528-K547 WeakPolarHBondContact OH-CA 3.45Å; K547-L573 HydrophobicContact CD-CD2 4.29Å; K547-L573 HydrophobicContact CG-CD2 4.49Å; K547-D574 IonicContact NZ-OD1 3.25Å; K547-D574 PolarHBondContact NZ-OD1 3.5Å; K547-D574 IonicContact NZ-OD2 2.85Å
548	S	90.9	Very high	92.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	11%	0.112	C	C	.	.			trans	-92.1	107.8	178.4	-166.1	0	0	0	0	110.6	G488 N489 F490 Y528 L551	G488-S548 PolarHBondContact O-OG 3.43Å; N489-S548 WeakPolarHBondContact CA-OG 3.34Å; F490-S548 WeakPolarHBondContact CB-OG 3.33Å; F490-S548 PolarHBondContact N-OG 3.14Å; Y528-S548 PolarHBondContact OH-N 3.41Å; S548-L551 WeakPolarHBondContact O-CB 3.31Å; S548-L551 PolarHBondContact O-N 2.83Å
549	S	88.8	Confident	93	Very high	26 Å²	26	20.4 Å²	20.4	18%	0.182	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-45.8	-167.9	60.8	0	0	0	0	114.6	L244 S449 N489 L551	L244-S549 WeakPolarHBondContact CD1-O 3.34Å; S449-S549 PolarHBondContact OG-OG 3.46Å; N489-S549 PolarHBondContact OD1-N 3.05Å; N489-S549 PolarHBondContact OD1-OG 3.42Å; S549-L551 PolarHBondContact O-N 2.85Å
550	N	94.8	Very high	93	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0	-177.5	-68	-89.4	0	0	0	113.8	S449 L455 N489 F490 E552 R553 F554	S449-N550 PolarHBondContact O-ND2 2.84Å; L455-N550 WeakPolarHBondContact CD1-OD1 3.4Å; N489-N550 WeakPolarHBondContact O-CB 3.3Å; N489-N550 PolarHBondContact O-N 2.87Å; N489-N550 PolarHBondContact O-ND2 2.89Å; F490-N550 HydrophobicContact CB-CB 4.06Å; N550-E552 PolarHBondContact O-N 3.3Å; N550-R553 PolarHBondContact O-N 3.3Å; N550-R553 VanDerWaalsContact O-N 3.16Å; N550-R553 PolarHBondContact OD1-NH1 2.9Å; N550-F554 PolarHBondContact O-N 2.77Å
551	L	95.8	Very high	93.1	Very high	2 Å²	2	23 Å²	23	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-28.5	171.7	-171.2	67.2	0	0	0	110.9	F490 F522 Y528 S548 S549 R553 F554 I555	F490-L551 HydrophobicContact CB-CB 4.45Å; F490-L551 HydrophobicContact CD1-CD1 4.41Å; F490-L551 HydrophobicContact CD2-CD1 3.88Å; F490-L551 HydrophobicContact CE1-CD1 4.4Å; F490-L551 HydrophobicContact CE2-CD1 3.85Å; F490-L551 HydrophobicContact CG-CD1 4.16Å; F490-L551 HydrophobicContact CZ-CD1 4.13Å; F522-L551 HydrophobicContact CD1-CD1 4.04Å; F522-L551 HydrophobicContact CD1-CD2 3.65Å; F522-L551 HydrophobicContact CD1-CG 4.34Å; F522-L551 HydrophobicContact CE1-CD1 3.78Å; F522-L551 HydrophobicContact CE1-CD2 3.69Å; F522-L551 HydrophobicContact CE1-CG 3.99Å; F522-L551 HydrophobicContact CG-CD2 4.24Å; F522-L551 HydrophobicContact CZ-CD2 4.29Å; Y528-L551 HydrophobicContact CD2-CD2 3.52Å; Y528-L551 HydrophobicContact CE2-CD2 3.31Å; S548-L551 WeakPolarHBondContact O-CB 3.31Å; S548-L551 PolarHBondContact O-N 2.83Å; S549-L551 PolarHBondContact O-N 2.85Å; L551-R553 PolarHBondContact O-N 2.95Å; L551-F554 HydrophobicContact CD1-CD1 4.02Å; L551-F554 WeakPolarHBondContact O-CB 3.41Å; L551-F554 PolarHBondContact O-N 3.5Å; L551-F554 VanDerWaalsContact O-N 3.14Å; L551-I555 HydrophobicContact CG-CD1 4.26Å; L551-I555 WeakPolarHBondContact O-CG1 3.47Å; L551-I555 PolarHBondContact O-N 3.06Å
552	E	96.4	Very high	93.3	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-46.8	172.5	-169.9	173.2	151.2	0	0	113	T216 R217 G243 L244 N550 F554 I555 H556 V566 F570	T216-E552 PolarHBondContact OG1-OE1 3.12Å; R217-E552 VanDerWaalsContact CG-OE1 3.29Å; R217-E552 WeakPolarHBondContact CG-OE1 3.48Å; R217-E552 IonicContact CZ-OE1 2.71Å; R217-E552 IonicContact CZ-OE2 3.22Å; R217-E552 VanDerWaalsContact NE-CD 3.32Å; R217-E552 IonicContact NE-OE1 3.36Å; R217-E552 PolarHBondContact NE-OE1 2.96Å; R217-E552 IonicContact NE-OE2 2.95Å; R217-E552 PolarHBondContact NE-OE2 3.46Å; R217-E552 IonicContact NH2-OE1 3.71Å; R217-E552 IonicContact NH2-OE2 3.85Å; R217-E552 PolarHBondContact NH2-OE2 3.39Å; G243-E552 WeakPolarHBondContact CA-OE1 3.45Å; L244-E552 HydrophobicContact CD1-CB 4.15Å; N550-E552 PolarHBondContact O-N 3.3Å; E552-F554 PolarHBondContact O-N 3.25Å; E552-I555 PolarHBondContact O-N 2.67Å; E552-H556 PolarHBondContact O-N 3.2Å; E552-V566 HydrophobicContact CG-CG1 3.55Å; E552-F570 HydrophobicContact CB-CE1 4.12Å; E552-F570 HydrophobicContact CB-CE2 3.8Å; E552-F570 HydrophobicContact CB-CZ 3.44Å; E552-F570 VanDerWaalsContact CB-CZ 3.44Å; E552-F570 HydrophobicContact CG-CD2 4.15Å; E552-F570 HydrophobicContact CG-CE1 4.3Å; E552-F570 HydrophobicContact CG-CE2 3.62Å; E552-F570 HydrophobicContact CG-CZ 3.72Å; E552-F570 WeakPolarHBondContact OE2-CE1 3.39Å
553	R	97.2	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-35.7	175.7	-74.6	-178.8	171.2	124.8	1.7	111.6	T216 L244 Y245 V246 I450 M494 N550 L551 H557	T216-R553 HydrophobicContact CG2-CG 4.34Å; L244-R553 HydrophobicContact CB-CG 4.05Å; L244-R553 HydrophobicContact CD1-CG 3.95Å; Y245-R553 PolarHBondContact O-NE 3.38Å; Y245-R553 PolarHBondContact O-NH2 3.17Å; V246-R553 HydrophobicContact CG1-CB 4.47Å; V246-R553 HydrophobicContact CG1-CG 3.82Å; I450-R553 VanDerWaalsContact O-CZ 3.3Å; I450-R553 PolarHBondContact O-NH1 3.34Å; I450-R553 PolarHBondContact O-NH2 3.22Å; M494-R553 HydrophobicContact CG-CB 4.13Å; M494-R553 HydrophobicContact SD-CB 4.1Å; N550-R553 PolarHBondContact O-N 3.3Å; N550-R553 VanDerWaalsContact O-N 3.16Å; N550-R553 PolarHBondContact OD1-NH1 2.9Å; L551-R553 PolarHBondContact O-N 2.95Å; R553-H557 VanDerWaalsContact O-CB 3.28Å; R553-H557 WeakPolarHBondContact O-CB 3.45Å; R553-H557 PolarHBondContact O-N 3.11Å
554	F	97.3	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-45.2	176.5	-179.7	-125.4	0	0	0	111.9	F490 M494 L497 L523 N550 L551 E552 H556 H557 V558 M589 V593	F490-F554 HydrophobicContact CD1-CB 4.04Å; F490-F554 HydrophobicContact CE1-CB 3.57Å; F490-F554 AromaticContact CE1-CD1 3.95Å; F490-F554 HydrophobicContact CE1-CD1 3.95Å; F490-F554 HydrophobicContact CE1-CD2 4.26Å; F490-F554 AromaticContact CE1-CG 3.67Å; F490-F554 HydrophobicContact CE1-CG 3.67Å; F490-F554 HydrophobicContact CZ-CB 4.35Å; F490-F554 AromaticContact CZ-CD1 3.87Å; F490-F554 HydrophobicContact CZ-CD1 3.87Å; F490-F554 HydrophobicContact CZ-CE1 4.34Å; F490-F554 HydrophobicContact CZ-CG 4.06Å; M494-F554 HydrophobicContact SD-CB 3.83Å; M494-F554 HydrophobicContact SD-CD2 4.42Å; L497-F554 HydrophobicContact CD1-CD2 3.37Å; L497-F554 HydrophobicContact CD1-CE2 3.49Å; L497-F554 VanDerWaalsContact CD1-CE2 3.49Å; L497-F554 HydrophobicContact CD1-CG 4.34Å; L523-F554 HydrophobicContact CD2-CE1 3.84Å; N550-F554 PolarHBondContact O-N 2.77Å; L551-F554 HydrophobicContact CD1-CD1 4.02Å; L551-F554 WeakPolarHBondContact O-CB 3.41Å; L551-F554 PolarHBondContact O-N 3.5Å; L551-F554 VanDerWaalsContact O-N 3.14Å; E552-F554 PolarHBondContact O-N 3.25Å; F554-H556 VanDerWaalsContact C-N 3.31Å; F554-H556 PolarHBondContact O-N 3.47Å; F554-H557 WeakPolarHBondContact O-CB 3.19Å; F554-H557 PolarHBondContact O-N 3.13Å; F554-H557 VanDerWaalsContact O-N 3.13Å; F554-V558 HydrophobicContact CD2-CG1 4.05Å; F554-V558 HydrophobicContact CE2-CG1 3.43Å; F554-V558 VanDerWaalsContact CE2-CG1 3.43Å; F554-V558 HydrophobicContact CZ-CG1 3.74Å; F554-V558 WeakPolarHBondContact O-CG2 3.27Å; F554-V558 PolarHBondContact O-N 3.43Å; F554-M589 HydrophobicContact CD1-CE 4.43Å; F554-M589 HydrophobicContact CD1-SD 4.44Å; F554-M589 HydrophobicContact CE1-CB 3.88Å; F554-M589 HydrophobicContact CE1-CE 4.35Å; F554-M589 HydrophobicContact CE1-CG 3.59Å; F554-M589 HydrophobicContact CE1-SD 3.88Å; F554-M589 HydrophobicContact CZ-CB 3.88Å; F554-M589 HydrophobicContact CZ-CG 3.8Å; F554-V593 HydrophobicContact CE1-CG2 4.13Å; F554-V593 HydrophobicContact CE2-CG2 3.76Å; F554-V593 HydrophobicContact CZ-CB 4.08Å; F554-V593 HydrophobicContact CZ-CG2 3.44Å; F554-V593 VanDerWaalsContact CZ-CG2 3.44Å
555	I	97.5	Very high	93.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-44	175.8	-63	162.5	0	0	0	110.4	F522 L551 E552 H557 S559 V566 L569 F570 F579 M589	F522-I555 HydrophobicContact CZ-CD1 4.14Å; F522-I555 HydrophobicContact CZ-CG1 4.19Å; L551-I555 HydrophobicContact CG-CD1 4.26Å; L551-I555 WeakPolarHBondContact O-CG1 3.47Å; L551-I555 PolarHBondContact O-N 3.06Å; E552-I555 PolarHBondContact O-N 2.67Å; I555-H557 VanDerWaalsContact C-N 3.35Å; I555-H557 PolarHBondContact O-N 3.15Å; I555-S559 WeakPolarHBondContact O-CB 3.5Å; I555-S559 PolarHBondContact O-N 2.86Å; I555-S559 PolarHBondContact O-OG 3.49Å; I555-S559 VanDerWaalsContact O-OG 3.09Å; I555-V566 HydrophobicContact CG2-CG2 3.99Å; I555-L569 HydrophobicContact CG2-CD1 3.91Å; I555-F570 HydrophobicContact CD1-CE2 3.97Å; I555-F570 HydrophobicContact CD1-CZ 4.48Å; I555-F579 HydrophobicContact CD1-CE2 4.37Å; I555-F579 HydrophobicContact CD1-CZ 3.9Å; I555-M589 HydrophobicContact CB-CE 4.28Å; I555-M589 HydrophobicContact CG1-CE 3.7Å; I555-M589 HydrophobicContact CG2-CE 4.48Å
556	H	96.9	Very high	94.3	Very high	21 Å²	21	26 Å²	26	10%	0.097	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-43.5	174	179.7	-89.8	0	0	0	112.1	T216 E552 F554 S559 G560 G561 V566	T216-H556 HydrophobicContact CG2-CB 3.66Å; E552-H556 PolarHBondContact O-N 3.2Å; F554-H556 VanDerWaalsContact C-N 3.31Å; F554-H556 PolarHBondContact O-N 3.47Å; H556-S559 PolarHBondContact O-OG 3.47Å; H556-G560 PolarHBondContact O-N 3.41Å; H556-G561 VanDerWaalsContact CE1-CA 3.43Å; H556-G561 WeakPolarHBondContact CE1-CA 3.49Å; H556-G561 WeakPolarHBondContact NE2-CA 3.49Å; H556-G561 WeakPolarHBondContact O-CA 3.48Å; H556-G561 PolarHBondContact O-N 2.89Å; H556-V566 HydrophobicContact CB-CG2 3.96Å
557	H	95.6	Very high	94.7	Very high	37 Å²	37	25.8 Å²	25.8	17%	0.171	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-54.7	178.7	169.3	61.6	0	0	0	112	M494 Q501 R553 F554 I555 S559 G560 E592	M494-H557 HydrophobicContact CE-CB 3.94Å; Q501-H557 PolarHBondContact NE2-CE1 2.84Å; Q501-H557 PolarHBondContact NE2-ND1 2.88Å; R553-H557 VanDerWaalsContact O-CB 3.28Å; R553-H557 WeakPolarHBondContact O-CB 3.45Å; R553-H557 PolarHBondContact O-N 3.11Å; F554-H557 WeakPolarHBondContact O-CB 3.19Å; F554-H557 PolarHBondContact O-N 3.13Å; F554-H557 VanDerWaalsContact O-N 3.13Å; I555-H557 VanDerWaalsContact C-N 3.35Å; I555-H557 PolarHBondContact O-N 3.15Å; H557-S559 VanDerWaalsContact C-N 3.26Å; H557-S559 PolarHBondContact O-N 3.04Å; H557-G560 PolarHBondContact O-N 3.27Å; H557-G560 VanDerWaalsContact O-N 3.11Å; H557-E592 IonicContact NE2-OE1 3.33Å; H557-E592 IonicContact NE2-OE2 2.81Å
558	V	95.4	Very high	95.1	Very high	7 Å²	7	26 Å²	26	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-71.5	-20.1	-178	-69.7	0	0	0	0	113.4	F554 G560 L585 R588 M589	F554-V558 HydrophobicContact CD2-CG1 4.05Å; F554-V558 HydrophobicContact CE2-CG1 3.43Å; F554-V558 VanDerWaalsContact CE2-CG1 3.43Å; F554-V558 HydrophobicContact CZ-CG1 3.74Å; F554-V558 WeakPolarHBondContact O-CG2 3.27Å; F554-V558 PolarHBondContact O-N 3.43Å; V558-G560 PolarHBondContact O-N 2.87Å; V558-L585 HydrophobicContact CB-CD1 4.01Å; V558-L585 HydrophobicContact CG2-CD1 3.7Å; V558-L585 HydrophobicContact CG2-CG 4.29Å; V558-L585 WeakPolarHBondContact O-CD1 3.43Å; V558-R588 PolarHBondContact O-NH1 3.14Å; V558-M589 HydrophobicContact CB-CG 4.19Å; V558-M589 HydrophobicContact CG1-CG 4.12Å; V558-M589 HydrophobicContact CG2-CE 3.39Å; V558-M589 HydrophobicContact CG2-CG 3.57Å; V558-M589 HydrophobicContact CG2-SD 4.34Å
559	S	95.3	Very high	95.3	Very high	17 Å²	17	26.5 Å²	26.5	12%	0.119	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7	173.8	73.6	0	0	0	0	113.2	I555 H556 H557 N562	I555-S559 WeakPolarHBondContact O-CB 3.5Å; I555-S559 PolarHBondContact O-N 2.86Å; I555-S559 PolarHBondContact O-OG 3.49Å; I555-S559 VanDerWaalsContact O-OG 3.09Å; H556-S559 PolarHBondContact O-OG 3.47Å; H557-S559 VanDerWaalsContact C-N 3.26Å; H557-S559 PolarHBondContact O-N 3.04Å; S559-N562 PolarHBondContact OG-N 3.17Å; S559-N562 VanDerWaalsContact OG-N 3.11Å
560	G	93.4	Very high	95.6	Very high	70 Å²	70	25.6 Å²	25.6	72%	0.722	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	28.8	-175.2	0	0	0	0	0	113	H556 H557 V558	H556-G560 PolarHBondContact O-N 3.41Å; H557-G560 PolarHBondContact O-N 3.27Å; H557-G560 VanDerWaalsContact O-N 3.11Å; V558-G560 PolarHBondContact O-N 2.87Å
561	G	93.9	Very high	95.6	Very high	34 Å²	34	29.2 Å²	29.2	35%	0.351	19%	0.188	S	C	.	.	S	Bend	trans	81.9	28.5	-179.7	0	0	0	0	0	114.6	H556 S563	H556-G561 VanDerWaalsContact CE1-CA 3.43Å; H556-G561 WeakPolarHBondContact CE1-CA 3.49Å; H556-G561 WeakPolarHBondContact NE2-CA 3.49Å; H556-G561 WeakPolarHBondContact O-CA 3.48Å; H556-G561 PolarHBondContact O-N 2.89Å; G561-S563 PolarHBondContact O-N 3.19Å; G561-S563 VanDerWaalsContact O-N 3.11Å
562	N	94.6	Very high	95.6	Very high	74 Å²	74	33.3 Å²	33.3	40%	0.396	21%	0.207	S	C	.	.			trans	-81.7	89.3	180	-172.4	-21.7	0	0	0	110.9	S559 C564 L565 V566	S559-N562 PolarHBondContact OG-N 3.17Å; S559-N562 VanDerWaalsContact OG-N 3.11Å; N562-C564 PolarHBondContact OD1-N 2.9Å; N562-L565 HydrophobicContact CB-CB 4.12Å; N562-L565 PolarHBondContact O-N 3.33Å; N562-L565 PolarHBondContact OD1-N 3.12Å; N562-V566 WeakPolarHBondContact O-CG2 3.42Å; N562-V566 PolarHBondContact O-N 2.77Å
563	S	94.8	Very high	95.5	Very high	15 Å²	15	33.1 Å²	33.1	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-36	179.8	-58.5	0	0	0	0	113.7	S215 T216 S218 G561 L565 V566 D567	S215-S563 PolarHBondContact O-OG 3.07Å; T216-S563 WeakPolarHBondContact O-CA 3.41Å; S218-S563 PolarHBondContact OG-OG 2.99Å; G561-S563 PolarHBondContact O-N 3.19Å; G561-S563 VanDerWaalsContact O-N 3.11Å; S563-L565 PolarHBondContact O-N 2.95Å; S563-V566 PolarHBondContact O-N 2.86Å; S563-D567 WeakPolarHBondContact O-CB 3.38Å; S563-D567 PolarHBondContact O-N 3.27Å
564	C	94.7	Very high	95.2	Very high	68 Å²	68	36.8 Å²	36.8	46%	0.459	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-43.6	177.9	-59.7	0	0	0	0	111.7	N562 V566 D567 D568	N562-C564 PolarHBondContact OD1-N 2.9Å; C564-V566 VanDerWaalsContact C-N 3.33Å; C564-V566 PolarHBondContact O-N 2.94Å; C564-D567 PolarHBondContact O-N 3.39Å; C564-D568 WeakPolarHBondContact O-CB 3.11Å; C564-D568 PolarHBondContact O-N 3.48Å
565	L	95.4	Very high	95.1	Very high	31 Å²	31	40.8 Å²	40.8	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-43.8	176.1	172.2	63	0	0	0	111.3	N562 S563 D568 L569 P582 L585	N562-L565 HydrophobicContact CB-CB 4.12Å; N562-L565 PolarHBondContact O-N 3.33Å; N562-L565 PolarHBondContact OD1-N 3.12Å; S563-L565 PolarHBondContact O-N 2.95Å; L565-D568 PolarHBondContact O-N 3Å; L565-L569 HydrophobicContact CD1-CD1 4.02Å; L565-L569 HydrophobicContact CD1-CD2 4.49Å; L565-L569 HydrophobicContact CD1-CG 4.04Å; L565-L569 HydrophobicContact CG-CD1 4.05Å; L565-L569 HydrophobicContact CG-CG 4.45Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 3.32Å; L565-P582 HydrophobicContact CD1-CG 3.57Å; L565-P582 HydrophobicContact CD2-CG 4.15Å; L565-L585 HydrophobicContact CD2-CD2 4.04Å
566	V	96.4	Very high	95	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-44.6	-179.8	176.1	0	0	0	0	110.3	T216 R217 E552 I555 H556 N562 S563 C564 D568 L569 F570	T216-V566 VanDerWaalsContact O-CB 3.25Å; T216-V566 WeakPolarHBondContact O-CB 3.31Å; T216-V566 WeakPolarHBondContact O-CG1 3.47Å; R217-V566 HydrophobicContact CG-CG1 4.19Å; E552-V566 HydrophobicContact CG-CG1 3.55Å; I555-V566 HydrophobicContact CG2-CG2 3.99Å; H556-V566 HydrophobicContact CB-CG2 3.96Å; N562-V566 WeakPolarHBondContact O-CG2 3.42Å; N562-V566 PolarHBondContact O-N 2.77Å; S563-V566 PolarHBondContact O-N 2.86Å; C564-V566 VanDerWaalsContact C-N 3.33Å; C564-V566 PolarHBondContact O-N 2.94Å; V566-D568 PolarHBondContact O-N 2.9Å; V566-L569 PolarHBondContact O-N 3.12Å; V566-F570 HydrophobicContact CG1-CD2 3.96Å; V566-F570 HydrophobicContact CG1-CE2 4.2Å; V566-F570 WeakPolarHBondContact O-CD2 3.26Å; V566-F570 PolarHBondContact O-N 2.92Å
567	D	95.4	Very high	95	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-46.2	176.5	-171.6	49	0	0	0	112	R217 S563 C564 L569 F570 T571	R217-D567 HydrophobicContact CB-CB 4Å; R217-D567 HydrophobicContact CG-CB 4.37Å; S563-D567 WeakPolarHBondContact O-CB 3.38Å; S563-D567 PolarHBondContact O-N 3.27Å; C564-D567 PolarHBondContact O-N 3.39Å; D567-L569 PolarHBondContact O-N 3.12Å; D567-F570 PolarHBondContact O-N 3.16Å; D567-T571 VanDerWaalsContact O-CB 3.3Å; D567-T571 WeakPolarHBondContact O-CB 3.45Å; D567-T571 PolarHBondContact O-N 3.26Å; D567-T571 PolarHBondContact O-OG1 3.43Å
568	D	95.6	Very high	95	Very high	91 Å²	91	52.7 Å²	52.7	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-57.6	-49.6	175.4	-77.1	-25.7	0	0	0	111.4	C564 L565 V566 F570 T571 H572	C564-D568 WeakPolarHBondContact O-CB 3.11Å; C564-D568 PolarHBondContact O-N 3.48Å; L565-D568 PolarHBondContact O-N 3Å; V566-D568 PolarHBondContact O-N 2.9Å; D568-F570 VanDerWaalsContact C-N 3.35Å; D568-F570 PolarHBondContact O-N 3.23Å; D568-T571 PolarHBondContact O-N 2.87Å; D568-H572 PolarHBondContact O-N 3.43Å; D568-H572 PolarHBondContact O-ND1 2.95Å
569	L	96.4	Very high	95.1	Very high	12 Å²	12	53 Å²	53	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-41.2	-178.6	-68.7	173.7	0	0	0	112.1	I555 L565 V566 D567 H572 L573 F579 Q580 L581	I555-L569 HydrophobicContact CG2-CD1 3.91Å; L565-L569 HydrophobicContact CD1-CD1 4.02Å; L565-L569 HydrophobicContact CD1-CD2 4.49Å; L565-L569 HydrophobicContact CD1-CG 4.04Å; L565-L569 HydrophobicContact CG-CD1 4.05Å; L565-L569 HydrophobicContact CG-CG 4.45Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 3.32Å; V566-L569 PolarHBondContact O-N 3.12Å; D567-L569 PolarHBondContact O-N 3.12Å; L569-H572 PolarHBondContact O-N 3.13Å; L569-L573 PolarHBondContact O-N 2.86Å; L569-F579 HydrophobicContact CB-CD1 4.35Å; L569-F579 HydrophobicContact CB-CD2 4.21Å; L569-F579 HydrophobicContact CB-CE2 4.45Å; L569-F579 HydrophobicContact CB-CG 4.15Å; L569-F579 HydrophobicContact CD1-CD2 4.42Å; L569-F579 HydrophobicContact CD1-CE2 4.31Å; L569-F579 HydrophobicContact CD2-CB 4.02Å; L569-F579 HydrophobicContact CD2-CD2 3.67Å; L569-F579 HydrophobicContact CD2-CE2 4.37Å; L569-F579 HydrophobicContact CD2-CG 4.02Å; L569-F579 HydrophobicContact CG-CD2 4.31Å; L569-F579 WeakPolarHBondContact O-CD1 3.42Å; L569-Q580 WeakPolarHBondContact CD2-O 3.49Å; L569-L581 HydrophobicContact CD1-CD2 3.94Å
570	F	94.4	Very high	95.2	Very high	6 Å²	6	57 Å²	57	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-76.9	-30.7	-179.9	-83.8	-100.3	0	0	0	112.7	R217 E552 I555 V566 D567 D568 L573 D574	R217-F570 VanDerWaalsContact NH2-CD1 3.33Å; E552-F570 HydrophobicContact CB-CE1 4.12Å; E552-F570 HydrophobicContact CB-CE2 3.8Å; E552-F570 HydrophobicContact CB-CZ 3.44Å; E552-F570 VanDerWaalsContact CB-CZ 3.44Å; E552-F570 HydrophobicContact CG-CD2 4.15Å; E552-F570 HydrophobicContact CG-CE1 4.3Å; E552-F570 HydrophobicContact CG-CE2 3.62Å; E552-F570 HydrophobicContact CG-CZ 3.72Å; E552-F570 WeakPolarHBondContact OE2-CE1 3.39Å; I555-F570 HydrophobicContact CD1-CE2 3.97Å; I555-F570 HydrophobicContact CD1-CZ 4.48Å; V566-F570 HydrophobicContact CG1-CD2 3.96Å; V566-F570 HydrophobicContact CG1-CE2 4.2Å; V566-F570 WeakPolarHBondContact O-CD2 3.26Å; V566-F570 PolarHBondContact O-N 2.92Å; D567-F570 PolarHBondContact O-N 3.16Å; D568-F570 VanDerWaalsContact C-N 3.35Å; D568-F570 PolarHBondContact O-N 3.23Å; F570-L573 HydrophobicContact CD1-CD2 4.18Å; F570-L573 HydrophobicContact CE1-CD2 4.2Å; F570-L573 WeakPolarHBondContact O-CB 3.45Å; F570-L573 PolarHBondContact O-N 2.93Å; F570-D574 PolarHBondContact O-N 3.05Å
571	T	94.6	Very high	95.3	Very high	76 Å²	76	54.2 Å²	54.2	47%	0.466	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-44.8	168.1	-66.7	0	0	0	0	110.8	D567 D568 D574 A575	D567-T571 VanDerWaalsContact O-CB 3.3Å; D567-T571 WeakPolarHBondContact O-CB 3.45Å; D567-T571 PolarHBondContact O-N 3.26Å; D567-T571 PolarHBondContact O-OG1 3.43Å; D568-T571 PolarHBondContact O-N 2.87Å; T571-D574 PolarHBondContact O-N 3.3Å; T571-A575 WeakPolarHBondContact O-CB 3.38Å; T571-A575 PolarHBondContact O-N 3.21Å
572	H	95.3	Very high	95.2	Very high	88 Å²	88	55.1 Å²	55.1	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-39.9	173.2	-74.6	83.8	0	0	0	112.1	D568 L569 D574 A575 Q576 R578 F579	D568-H572 PolarHBondContact O-N 3.43Å; D568-H572 PolarHBondContact O-ND1 2.95Å; L569-H572 PolarHBondContact O-N 3.13Å; H572-D574 VanDerWaalsContact C-N 3.33Å; H572-D574 PolarHBondContact O-N 3.39Å; H572-A575 PolarHBondContact O-N 3.15Å; H572-Q576 WeakPolarHBondContact O-CA 3.38Å; H572-Q576 WeakPolarHBondContact O-CB 3.39Å; H572-Q576 PolarHBondContact O-N 2.79Å; H572-R578 CarbonylContact C-O 3.59Å; H572-F579 HydrophobicContact CB-CB 4.25Å
573	L	94.7	Very high	94.6	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-45.1	175.6	-171.6	58.4	0	0	0	111.6	Y528 L530 K547 L569 F570 K577 F579	Y528-L573 HydrophobicContact CD1-CD1 3.6Å; Y528-L573 HydrophobicContact CD1-CD2 4.22Å; Y528-L573 HydrophobicContact CE1-CD1 3.99Å; Y528-L573 HydrophobicContact CE1-CD2 4.13Å; L530-L573 HydrophobicContact CD1-CD1 3.88Å; L530-L573 HydrophobicContact CG-CD1 4.13Å; K547-L573 HydrophobicContact CD-CD2 4.29Å; K547-L573 HydrophobicContact CG-CD2 4.49Å; L569-L573 PolarHBondContact O-N 2.86Å; F570-L573 HydrophobicContact CD1-CD2 4.18Å; F570-L573 HydrophobicContact CE1-CD2 4.2Å; F570-L573 WeakPolarHBondContact O-CB 3.45Å; F570-L573 PolarHBondContact O-N 2.93Å; L573-K577 WeakPolarHBondContact O-CA 3.4Å; L573-K577 PolarHBondContact O-N 3.34Å; L573-F579 HydrophobicContact CB-CD1 3.91Å; L573-F579 HydrophobicContact CB-CE1 4.34Å; L573-F579 HydrophobicContact CD1-CD1 4.13Å; L573-F579 HydrophobicContact CD1-CE1 4.38Å; L573-F579 HydrophobicContact CD2-CE1 4.19Å; L573-F579 HydrophobicContact CG-CD1 4.4Å
574	D	91.3	Very high	94.3	Very high	76 Å²	76	63 Å²	63	41%	0.406	34%	0.341	S	S	.	.	H	α-helix	trans	-72.8	-38.5	-175.3	-72.3	-22.8	0	0	0	111.3	K547 F570 T571 H572 K577	K547-D574 IonicContact NZ-OD1 3.25Å; K547-D574 PolarHBondContact NZ-OD1 3.5Å; K547-D574 IonicContact NZ-OD2 2.85Å; F570-D574 PolarHBondContact O-N 3.05Å; T571-D574 PolarHBondContact O-N 3.3Å; H572-D574 VanDerWaalsContact C-N 3.33Å; H572-D574 PolarHBondContact O-N 3.39Å; D574-K577 PolarHBondContact O-NZ 3.14Å
575	A	95.1	Very high	94.3	Very high	84 Å²	84	59.9 Å²	59.9	69%	0.694	32%	0.319	S	S	*	.	H	α-helix	trans	-76.4	-46.7	178.6	0	0	0	0	0	114.1	T571 H572	T571-A575 WeakPolarHBondContact O-CB 3.38Å; T571-A575 PolarHBondContact O-N 3.21Å; H572-A575 PolarHBondContact O-N 3.15Å
576	Q	96	Very high	94.3	Very high	96 Å²	96	60.3 Å²	60.3	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-107.6	-5.8	-171.4	-58.4	-173.8	-11.9	0	0	113.6	Q531 H572 R578	Q531-Q576 PolarHBondContact NE2-O 3.18Å; H572-Q576 WeakPolarHBondContact O-CA 3.38Å; H572-Q576 WeakPolarHBondContact O-CB 3.39Å; H572-Q576 PolarHBondContact O-N 2.79Å; Q576-R578 HydrophobicContact CB-CG 4.25Å; Q576-R578 PolarHBondContact O-N 3.05Å
577	K	96.2	Very high	94.2	Very high	107 Å²	107	61.8 Å²	61.8	47%	0.465	34%	0.337	S	S	.	.	S	Bend	trans	61.1	18.1	-173	-53.6	-52.5	-178.2	-151.2	0	113.8	L530 Q531 L573 D574	L530-K577 WeakPolarHBondContact CA-O 3.37Å; L530-K577 HydrophobicContact CB-CB 4.25Å; L530-K577 VanDerWaalsContact CB-O 3.31Å; L530-K577 WeakPolarHBondContact CB-O 3.1Å; L530-K577 PolarHBondContact N-O 3.1Å; Q531-K577 HydrophobicContact CG-CB 4.06Å; L573-K577 WeakPolarHBondContact O-CA 3.4Å; L573-K577 PolarHBondContact O-N 3.34Å; D574-K577 PolarHBondContact O-NZ 3.14Å
578	R	96.9	Very high	94.2	Very high	106 Å²	106	65 Å²	65	40%	0.4	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.3	175.7	66.7	177.9	-169	149.7	4.9	112.5	Y528 D529 H572 Q576	Y528-R578 CarbonylContact O-C 3.6Å; Y528-R578 WeakPolarHBondContact O-CA 3.34Å; D529-R578 HydrophobicContact CB-CB 4.3Å; H572-R578 CarbonylContact C-O 3.59Å; Q576-R578 HydrophobicContact CB-CG 4.25Å; Q576-R578 PolarHBondContact O-N 3.05Å
579	F	97.3	Very high	94.2	Very high	13 Å²	13	60.7 Å²	60.7	6%	0.057	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	165.3	162.9	65.6	-102.2	0	0	0	111.4	F522 Y528 I555 L569 H572 L573 L581	F522-F579 HydrophobicContact CD2-CE2 4.48Å; F522-F579 AromaticContact CE2-CE2 3.69Å; F522-F579 HydrophobicContact CE2-CE2 3.69Å; F522-F579 HydrophobicContact CE2-CZ 4.09Å; F522-F579 HydrophobicContact CZ-CE2 4.38Å; Y528-F579 VanDerWaalsContact CB-CE1 3.46Å; Y528-F579 HydrophobicContact CD1-CE1 4.02Å; Y528-F579 HydrophobicContact CD2-CZ 4.24Å; Y528-F579 HydrophobicContact CG-CD1 4.46Å; Y528-F579 AromaticContact CG-CE1 3.74Å; Y528-F579 HydrophobicContact CG-CE1 3.74Å; Y528-F579 AromaticContact CG-CZ 3.8Å; Y528-F579 HydrophobicContact CG-CZ 3.8Å; Y528-F579 PolarHBondContact N-O 3.22Å; Y528-F579 PolarHBondContact O-N 3.29Å; I555-F579 HydrophobicContact CD1-CE2 4.37Å; I555-F579 HydrophobicContact CD1-CZ 3.9Å; L569-F579 HydrophobicContact CB-CD1 4.35Å; L569-F579 HydrophobicContact CB-CD2 4.21Å; L569-F579 HydrophobicContact CB-CE2 4.45Å; L569-F579 HydrophobicContact CB-CG 4.15Å; L569-F579 HydrophobicContact CD1-CD2 4.42Å; L569-F579 HydrophobicContact CD1-CE2 4.31Å; L569-F579 HydrophobicContact CD2-CB 4.02Å; L569-F579 HydrophobicContact CD2-CD2 3.67Å; L569-F579 HydrophobicContact CD2-CE2 4.37Å; L569-F579 HydrophobicContact CD2-CG 4.02Å; L569-F579 HydrophobicContact CG-CD2 4.31Å; L569-F579 WeakPolarHBondContact O-CD1 3.42Å; H572-F579 HydrophobicContact CB-CB 4.25Å; L573-F579 HydrophobicContact CB-CD1 3.91Å; L573-F579 HydrophobicContact CB-CE1 4.34Å; L573-F579 HydrophobicContact CD1-CD1 4.13Å; L573-F579 HydrophobicContact CD1-CE1 4.38Å; L573-F579 HydrophobicContact CD2-CE1 4.19Å; L573-F579 HydrophobicContact CG-CD1 4.4Å; F579-L581 HydrophobicContact CE2-CD2 3.97Å
580	Q	96.5	Very high	94.1	Very high	102 Å²	102	64 Å²	64	48%	0.477	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.4	173.8	-179.4	62.2	46.8	0	0	109.2	T525 G526 Q527 L569	T525-Q580 PolarHBondContact O-NE2 2.95Å; G526-Q580 PolarHBondContact O-NE2 3.1Å; Q527-Q580 VanDerWaalsContact CB-OE1 3.27Å; L569-Q580 WeakPolarHBondContact CD2-O 3.49Å
581	L	95.6	Very high	94.1	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.052	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-68.1	145.4	173.7	-67.6	179	0	0	0	111.7	F522 G526 L569 F579 L585 M589	F522-L581 HydrophobicContact CE2-CD1 3.73Å; F522-L581 HydrophobicContact CE2-CD2 3.97Å; F522-L581 HydrophobicContact CE2-CG 3.7Å; F522-L581 HydrophobicContact CZ-CD1 3.65Å; F522-L581 HydrophobicContact CZ-CD2 3.97Å; F522-L581 HydrophobicContact CZ-CG 3.98Å; G526-L581 WeakPolarHBondContact O-CG 3.48Å; G526-L581 PolarHBondContact O-N 2.86Å; L569-L581 HydrophobicContact CD1-CD2 3.94Å; F579-L581 HydrophobicContact CE2-CD2 3.97Å; L581-L585 HydrophobicContact CD2-CD2 4.06Å; L581-M589 HydrophobicContact CD1-CE 3.61Å; L581-M589 HydrophobicContact CD1-SD 3.43Å; L581-M589 WeakPolarHBondContact CD1-SD 3.33Å; L581-M589 HydrophobicContact CD2-CE 4.07Å
582	P	91.9	Very high	94.1	Very high	54 Å²	54	68.7 Å²	68.7	35%	0.351	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.5	155.3	168.4	-21.7	32.2	0	0	0	112.8	L565 L585	L565-P582 HydrophobicContact CD1-CG 3.57Å; L565-P582 HydrophobicContact CD2-CG 4.15Å; P582-L585 PolarHBondContact O-N 3.12Å
583	E	83.2	Confident	94.2	Very high	204 Å²	204	64.6 Å²	64.6	95%	0.953	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	140.1	178.4	-162.4	174.3	-177.4	0	0	111.7	L585	E583-L585 VanDerWaalsContact C-N 3.26Å; E583-L585 PolarHBondContact O-N 3.29Å
584	G	87.7	Confident	94.3	Very high	50 Å²	50	67.7 Å²	67.7	52%	0.515	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-22.7	-179.6	0	0	0	0	0	116.1	G587 R588	G584-G587 PolarHBondContact O-N 3.27Å; G584-R588 PolarHBondContact O-N 3.27Å
585	L	94.5	Very high	94.6	Very high	3 Å²	3	65 Å²	65	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-36.9	178.1	-171.8	59.2	0	0	0	112.2	V558 L565 L581 P582 E583 G587 R588 M589	V558-L585 HydrophobicContact CB-CD1 4.01Å; V558-L585 HydrophobicContact CG2-CD1 3.7Å; V558-L585 HydrophobicContact CG2-CG 4.29Å; V558-L585 WeakPolarHBondContact O-CD1 3.43Å; L565-L585 HydrophobicContact CD2-CD2 4.04Å; L581-L585 HydrophobicContact CD2-CD2 4.06Å; P582-L585 PolarHBondContact O-N 3.12Å; E583-L585 VanDerWaalsContact C-N 3.26Å; E583-L585 PolarHBondContact O-N 3.29Å; L585-G587 VanDerWaalsContact C-N 3.32Å; L585-G587 PolarHBondContact O-N 3.23Å; L585-R588 PolarHBondContact O-N 3.17Å; L585-M589 HydrophobicContact CD2-CE 4.34Å; L585-M589 HydrophobicContact CG-CE 4.21Å; L585-M589 PolarHBondContact O-N 3.37Å
586	L	95.2	Very high	94.7	Very high	39 Å²	39	61.7 Å²	61.7	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-42.5	175.1	-179.9	60.8	0	0	0	112.2	L523 R588 M589 Q590	L523-L586 WeakPolarHBondContact O-CD1 3.5Å; L586-R588 VanDerWaalsContact C-N 3.33Å; L586-R588 PolarHBondContact O-N 2.81Å; L586-M589 WeakPolarHBondContact O-CB 3.48Å; L586-M589 PolarHBondContact O-N 2.9Å; L586-Q590 HydrophobicContact CD1-CG 4.18Å; L586-Q590 HydrophobicContact CG-CG 4.45Å; L586-Q590 WeakPolarHBondContact O-CG 3.41Å; L586-Q590 PolarHBondContact O-N 3.18Å
587	G	94.5	Very high	94.8	Very high	32 Å²	32	61.7 Å²	61.7	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-40.5	178.1	0	0	0	0	0	112.4	G584 L585 Q590 Q591	G584-G587 PolarHBondContact O-N 3.27Å; L585-G587 VanDerWaalsContact C-N 3.32Å; L585-G587 PolarHBondContact O-N 3.23Å; G587-Q590 PolarHBondContact O-N 2.87Å; G587-Q591 WeakPolarHBondContact O-CG 3.3Å; G587-Q591 PolarHBondContact O-N 3Å; G587-Q591 VanDerWaalsContact O-N 3.11Å
588	R	94.5	Very high	94.9	Very high	115 Å²	115	56.6 Å²	56.6	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-44.5	173.2	-70.9	-170.6	-78.8	174.3	-6.5	111.8	V558 G584 L585 L586 Q590 Q591	V558-R588 PolarHBondContact O-NH1 3.14Å; G584-R588 PolarHBondContact O-N 3.27Å; L585-R588 PolarHBondContact O-N 3.17Å; L586-R588 VanDerWaalsContact C-N 3.33Å; L586-R588 PolarHBondContact O-N 2.81Å; R588-Q590 VanDerWaalsContact C-N 3.33Å; R588-Q590 PolarHBondContact O-N 2.92Å; R588-Q591 WeakPolarHBondContact O-CB 3.47Å; R588-Q591 PolarHBondContact O-N 3.35Å
589	M	95.7	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-45.4	175.4	-69	-177.5	175.5	0	0	112	F522 F554 I555 V558 L581 L585 L586 Q591 E592 V593	F522-M589 HydrophobicContact CE1-CE 4.27Å; F522-M589 HydrophobicContact CE1-SD 3.92Å; F522-M589 HydrophobicContact CZ-CE 3.94Å; F522-M589 HydrophobicContact CZ-SD 3.95Å; F554-M589 HydrophobicContact CD1-CE 4.43Å; F554-M589 HydrophobicContact CD1-SD 4.44Å; F554-M589 HydrophobicContact CE1-CB 3.88Å; F554-M589 HydrophobicContact CE1-CE 4.35Å; F554-M589 HydrophobicContact CE1-CG 3.59Å; F554-M589 HydrophobicContact CE1-SD 3.88Å; F554-M589 HydrophobicContact CZ-CB 3.88Å; F554-M589 HydrophobicContact CZ-CG 3.8Å; I555-M589 HydrophobicContact CB-CE 4.28Å; I555-M589 HydrophobicContact CG1-CE 3.7Å; I555-M589 HydrophobicContact CG2-CE 4.48Å; V558-M589 HydrophobicContact CB-CG 4.19Å; V558-M589 HydrophobicContact CG1-CG 4.12Å; V558-M589 HydrophobicContact CG2-CE 3.39Å; V558-M589 HydrophobicContact CG2-CG 3.57Å; V558-M589 HydrophobicContact CG2-SD 4.34Å; L581-M589 HydrophobicContact CD1-CE 3.61Å; L581-M589 HydrophobicContact CD1-SD 3.43Å; L581-M589 WeakPolarHBondContact CD1-SD 3.33Å; L581-M589 HydrophobicContact CD2-CE 4.07Å; L585-M589 HydrophobicContact CD2-CE 4.34Å; L585-M589 HydrophobicContact CG-CE 4.21Å; L585-M589 PolarHBondContact O-N 3.37Å; L586-M589 WeakPolarHBondContact O-CB 3.48Å; L586-M589 PolarHBondContact O-N 2.9Å; M589-Q591 VanDerWaalsContact C-N 3.26Å; M589-Q591 PolarHBondContact O-N 3.45Å; M589-E592 PolarHBondContact O-N 3.15Å; M589-E592 VanDerWaalsContact O-N 3.09Å; M589-V593 PolarHBondContact O-N 3.12Å
590	Q	94.9	Very high	95	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-19.5	-177.8	-70.4	175	-17.5	0	0	113.7	K508 L523 S524 L586 G587 R588 E592 V593	K508-Q590 PolarHBondContact NZ-O 3.08Å; L523-Q590 PolarHBondContact O-NE2 3.12Å; S524-Q590 PolarHBondContact O-NE2 3.49Å; L586-Q590 HydrophobicContact CD1-CG 4.18Å; L586-Q590 HydrophobicContact CG-CG 4.45Å; L586-Q590 WeakPolarHBondContact O-CG 3.41Å; L586-Q590 PolarHBondContact O-N 3.18Å; G587-Q590 PolarHBondContact O-N 2.87Å; R588-Q590 VanDerWaalsContact C-N 3.33Å; R588-Q590 PolarHBondContact O-N 2.92Å; Q590-E592 VanDerWaalsContact C-N 3.27Å; Q590-V593 WeakPolarHBondContact CA-O 3.4Å
591	Q	94.1	Very high	95.1	Very high	138 Å²	138	55 Å²	55	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-68.3	-27.6	170.4	-75.6	171.4	-2	0	0	112.3	K508 G587 R588 M589	K508-Q591 PolarHBondContact NZ-O 3.34Å; G587-Q591 WeakPolarHBondContact O-CG 3.3Å; G587-Q591 PolarHBondContact O-N 3Å; G587-Q591 VanDerWaalsContact O-N 3.11Å; R588-Q591 WeakPolarHBondContact O-CB 3.47Å; R588-Q591 PolarHBondContact O-N 3.35Å; M589-Q591 VanDerWaalsContact C-N 3.26Å; M589-Q591 PolarHBondContact O-N 3.45Å
592	E	94.6	Very high	95.2	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-107.4	-37.9	-176.7	-62	-163.5	-128.7	0	0	113.3	L497 V509 H557 M589 Q590	L497-E592 HydrophobicContact CD2-CB 4.13Å; V509-E592 PolarHBondContact N-O 2.9Å; H557-E592 IonicContact NE2-OE1 3.33Å; H557-E592 IonicContact NE2-OE2 2.81Å; M589-E592 PolarHBondContact O-N 3.15Å; M589-E592 VanDerWaalsContact O-N 3.09Å; Q590-E592 VanDerWaalsContact C-N 3.27Å
593	V	97.5	Very high	95.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.9	-172.6	-176.4	0	0	0	0	110.5	F490 L497 V509 L523 F554 M589 Q590	F490-V593 HydrophobicContact CZ-CG1 4.42Å; L497-V593 HydrophobicContact CD1-CG2 4Å; L497-V593 HydrophobicContact CD2-CG2 4.09Å; V509-V593 HydrophobicContact CB-CG2 4.4Å; V509-V593 CarbonylContact O-C 3.57Å; V509-V593 WeakPolarHBondContact O-CA 3.29Å; V509-V593 WeakPolarHBondContact O-CG1 3.19Å; L523-V593 HydrophobicContact CD1-CG1 3.67Å; L523-V593 HydrophobicContact CD2-CB 4.37Å; L523-V593 HydrophobicContact CD2-CG1 4.1Å; F554-V593 HydrophobicContact CE1-CG2 4.13Å; F554-V593 HydrophobicContact CE2-CG2 3.76Å; F554-V593 HydrophobicContact CZ-CB 4.08Å; F554-V593 HydrophobicContact CZ-CG2 3.44Å; F554-V593 VanDerWaalsContact CZ-CG2 3.44Å; M589-V593 PolarHBondContact O-N 3.12Å; Q590-V593 WeakPolarHBondContact CA-O 3.4Å
594	Q	97.1	Very high	96.2	Very high	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	160.5	165.2	-71	-179.5	-29	0	0	109.5	K508 V509 I510 C511 L632	K508-Q594 HydrophobicContact CD-CG 4.32Å; V509-Q594 PolarHBondContact O-N 3.06Å; I510-Q594 CarbonylContact C-O 3.56Å; I510-Q594 WeakPolarHBondContact CA-O 3.16Å; I510-Q594 HydrophobicContact CG1-CB 4.37Å; C511-Q594 PolarHBondContact N-O 3.49Å; Q594-L632 HydrophobicContact CB-CD1 4.4Å
595	A	97.4	Very high	96.7	Very high	20 Å²	20	45.3 Å²	45.3	17%	0.165	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.9	174.5	0	0	0	0	0	112.5	C511 L523	C511-A595 HydrophobicContact CB-CB 4.12Å; C511-A595 VanDerWaalsContact O-CA 3.22Å; C511-A595 WeakPolarHBondContact O-CA 3.48Å; L523-A595 HydrophobicContact CB-CB 3.97Å; L523-A595 HydrophobicContact CD1-CB 3.61Å; L523-A595 HydrophobicContact CG-CB 4.44Å
596	G	98.1	Very high	96.9	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	179.7	171.9	0	0	0	0	0	110	C511 S513 S520	C511-G596 PolarHBondContact O-N 3.41Å; S513-G596 PolarHBondContact N-O 3.07Å; S513-G596 VanDerWaalsContact N-O 3.08Å; S520-G596 PolarHBondContact OG-O 3.29Å
597	W	98.1	Very high	97.1	Very high	96 Å²	96	43.7 Å²	43.7	36%	0.364	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.7	175.1	71.5	-81.3	0	0	0	112	S513 R517 R631	S513-W597 CarbonylContact O-C 3.43Å; S513-W597 WeakPolarHBondContact O-CA 3.42Å; R517-W597 HydrophobicContact CB-CB 3.94Å; R517-W597 HydrophobicContact CB-CG 4.19Å; R517-W597 VanDerWaalsContact NH1-CE2 3.33Å; R517-W597 VanDerWaalsContact NH1-CZ2 3.26Å; W597-R631 PolarHBondContact O-NH1 3.48Å
598	C	98.2	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.			trans	-122.7	135.7	-178.4	-175.8	0	0	0	0	109.9	S513 N514 H515 C603 V624 V627	S513-C598 PolarHBondContact O-N 2.84Å; N514-C598 CarbonylContact C-O 3.39Å; N514-C598 WeakPolarHBondContact CA-O 3.29Å; H515-C598 PolarHBondContact N-O 2.84Å; C598-C603 PolarHBondContact SG-N 3.21Å; C598-V624 HydrophobicContact CB-CB 4.18Å; C598-V624 HydrophobicContact CB-CG1 3.93Å; C598-V624 HydrophobicContact CB-CG2 4.04Å; C598-V627 HydrophobicContact CB-CB 4.23Å; C598-V627 HydrophobicContact CB-CG1 4.14Å
599	S	98.1	Very high	97.4	Very high	19 Å²	19	44.7 Å²	44.7	13%	0.133	22%	0.224	C	C	.	.			trans	-78.6	166.5	168.7	68.5	0	0	0	0	110.9	E601 D602 C603	S599-E601 VanDerWaalsContact C-N 3.32Å; S599-D602 WeakPolarHBondContact OG-CB 3.29Å; S599-D602 PolarHBondContact OG-N 2.95Å; S599-D602 VanDerWaalsContact OG-N 3.1Å; S599-D602 PolarHBondContact OG-OD2 3.01Å; S599-C603 VanDerWaalsContact O-CB 3.29Å; S599-C603 WeakPolarHBondContact O-CB 3.38Å; S599-C603 PolarHBondContact O-N 3.26Å
600	E	97.4	Very high	97.5	Very high	29 Å²	29	44.9 Å²	44.9	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-37.8	176.5	-66.4	-64.7	104.6	0	0	111.3	H515 S538 H539 C603 L604	H515-E600 IonicContact CE1-OE1 3.39Å; H515-E600 IonicContact ND1-OE1 2.8Å; S538-E600 WeakPolarHBondContact CB-OE1 3.44Å; H539-E600 WeakPolarHBondContact CB-OE2 3.46Å; H539-E600 IonicContact CD2-OE2 3.4Å; H539-E600 PolarHBondContact CD2-OE2 2.91Å; H539-E600 IonicContact CG-OE2 3.44Å; H539-E600 PolarHBondContact N-OE2 2.67Å; H539-E600 IonicContact NE2-OE2 2.99Å; E600-C603 WeakPolarHBondContact O-CB 3.24Å; E600-C603 PolarHBondContact O-N 3.28Å; E600-L604 WeakPolarHBondContact O-CG 3.16Å; E600-L604 PolarHBondContact O-N 3.33Å
601	E	97.9	Very high	97.7	Very high	140 Å²	140	42.8 Å²	42.8	65%	0.654	22%	0.215	S	C	*	.	H	α-helix	trans	-64.1	-47.7	176.9	-64.8	73.6	-160.3	0	0	111.2	S599 C603 L604 A605	S599-E601 VanDerWaalsContact C-N 3.32Å; E601-C603 VanDerWaalsContact C-N 3.29Å; E601-C603 PolarHBondContact O-N 2.64Å; E601-L604 PolarHBondContact O-N 3.48Å; E601-A605 VanDerWaalsContact O-CB 3.31Å; E601-A605 WeakPolarHBondContact O-CB 3.43Å; E601-A605 PolarHBondContact O-N 2.73Å
602	D	98.4	Very high	97.8	Very high	57 Å²	57	42.3 Å²	42.3	31%	0.305	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-39.2	176.8	-65.2	-44.7	0	0	0	111.3	S599 A605 A606 V627 R631	S599-D602 WeakPolarHBondContact OG-CB 3.29Å; S599-D602 PolarHBondContact OG-N 2.95Å; S599-D602 VanDerWaalsContact OG-N 3.1Å; S599-D602 PolarHBondContact OG-OD2 3.01Å; D602-A605 PolarHBondContact O-N 3.22Å; D602-A606 VanDerWaalsContact O-CB 3.31Å; D602-A606 WeakPolarHBondContact O-CB 3.49Å; D602-A606 PolarHBondContact O-N 3.26Å; D602-V627 HydrophobicContact CB-CG1 4.09Å; D602-V627 HydrophobicContact CB-CG2 4.24Å; D602-R631 IonicContact OD1-NH2 2.79Å; D602-R631 PolarHBondContact OD1-NH2 3.31Å; D602-R631 IonicContact OD2-CZ 3.46Å; D602-R631 IonicContact OD2-NH1 3.7Å; D602-R631 IonicContact OD2-NH2 3.15Å; D602-R631 PolarHBondContact OD2-NH2 3.49Å
603	C	98.4	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-51.1	179.2	178	0	0	0	0	111	C598 S599 E600 E601 A606 I607 T620	C598-C603 PolarHBondContact SG-N 3.21Å; S599-C603 VanDerWaalsContact O-CB 3.29Å; S599-C603 WeakPolarHBondContact O-CB 3.38Å; S599-C603 PolarHBondContact O-N 3.26Å; E600-C603 WeakPolarHBondContact O-CB 3.24Å; E600-C603 PolarHBondContact O-N 3.28Å; E601-C603 VanDerWaalsContact C-N 3.29Å; E601-C603 PolarHBondContact O-N 2.64Å; C603-A606 PolarHBondContact O-N 2.97Å; C603-I607 WeakPolarHBondContact O-CG1 3.28Å; C603-I607 PolarHBondContact O-N 3.4Å; C603-T620 PolarHBondContact SG-O 3.14Å; C603-T620 VanDerWaalsContact SG-O 3.36Å
604	L	98.4	Very high	97.9	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.12	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-39	179.1	-63.4	175.8	0	0	0	111.9	E600 E601 I607 Q608 A653 K656 A657	E600-L604 WeakPolarHBondContact O-CG 3.16Å; E600-L604 PolarHBondContact O-N 3.33Å; E601-L604 PolarHBondContact O-N 3.48Å; L604-I607 PolarHBondContact O-N 2.76Å; L604-Q608 PolarHBondContact O-N 2.86Å; L604-Q608 VanDerWaalsContact O-N 3.16Å; L604-A653 WeakPolarHBondContact CD2-O 3.43Å; L604-K656 HydrophobicContact CD1-CD 3.81Å; L604-K656 HydrophobicContact CD1-CG 4.12Å; L604-A657 HydrophobicContact CB-CB 4.17Å; L604-A657 HydrophobicContact CD2-CB 3.87Å; L604-A657 WeakPolarHBondContact O-CB 3.42Å
605	A	98.5	Very high	97.8	Very high	33 Å²	33	46.1 Å²	46.1	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-44.8	175.9	0	0	0	0	0	111.4	E601 D602 I607 Q608 E609	E601-A605 VanDerWaalsContact O-CB 3.31Å; E601-A605 WeakPolarHBondContact O-CB 3.43Å; E601-A605 PolarHBondContact O-N 2.73Å; D602-A605 PolarHBondContact O-N 3.22Å; A605-I607 PolarHBondContact O-N 3.44Å; A605-Q608 WeakPolarHBondContact O-CB 3.3Å; A605-Q608 PolarHBondContact O-N 2.98Å; A605-Q608 VanDerWaalsContact O-N 3.14Å; A605-E609 WeakPolarHBondContact O-CB 3.45Å; A605-E609 VanDerWaalsContact O-CG 3.31Å; A605-E609 WeakPolarHBondContact O-CG 3.36Å; A605-E609 PolarHBondContact O-N 3Å
606	A	98.4	Very high	97.9	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-37.2	-180	0	0	0	0	0	113.3	D602 C603 L610 M618 A623 V627	D602-A606 VanDerWaalsContact O-CB 3.31Å; D602-A606 WeakPolarHBondContact O-CB 3.49Å; D602-A606 PolarHBondContact O-N 3.26Å; C603-A606 PolarHBondContact O-N 2.97Å; A606-L610 WeakPolarHBondContact O-CB 3.28Å; A606-L610 PolarHBondContact O-N 3.45Å; A606-L610 VanDerWaalsContact O-N 3.1Å; A606-M618 WeakPolarHBondContact O-CE 3.3Å; A606-A623 HydrophobicContact CB-CB 4.49Å; A606-V627 HydrophobicContact CB-CG2 3.49Å; A606-V627 VanDerWaalsContact CB-CG2 3.49Å
607	I	98.5	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-48.9	172.7	-64.2	169.3	0	0	0	109.7	C603 L604 A605 H611 L617 M618 T620 A623 A657	C603-I607 WeakPolarHBondContact O-CG1 3.28Å; C603-I607 PolarHBondContact O-N 3.4Å; L604-I607 PolarHBondContact O-N 2.76Å; A605-I607 PolarHBondContact O-N 3.44Å; I607-H611 WeakPolarHBondContact O-CB 3.12Å; I607-H611 PolarHBondContact O-N 2.82Å; I607-L617 HydrophobicContact CG2-CD1 3.98Å; I607-M618 HydrophobicContact CG1-CB 4.49Å; I607-T620 HydrophobicContact CD1-CG2 3.92Å; I607-A623 HydrophobicContact CD1-CB 4.08Å; I607-A623 HydrophobicContact CG1-CB 3.5Å; I607-A623 VanDerWaalsContact CG1-CB 3.5Å; I607-A657 HydrophobicContact CB-CB 3.75Å; I607-A657 HydrophobicContact CD1-CB 4.09Å; I607-A657 HydrophobicContact CG2-CB 3.73Å
608	Q	98.3	Very high	97.8	Very high	37 Å²	37	40.7 Å²	40.7	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-49.8	-178.3	-174.5	173.9	31.1	0	0	111.9	L604 A605 H611 I612 A657 R659	L604-Q608 PolarHBondContact O-N 2.86Å; L604-Q608 VanDerWaalsContact O-N 3.16Å; A605-Q608 WeakPolarHBondContact O-CB 3.3Å; A605-Q608 PolarHBondContact O-N 2.98Å; A605-Q608 VanDerWaalsContact O-N 3.14Å; Q608-H611 PolarHBondContact O-N 3Å; Q608-I612 HydrophobicContact CG-CD1 3.86Å; Q608-I612 VanDerWaalsContact O-CG1 3.3Å; Q608-I612 WeakPolarHBondContact O-CG1 3.49Å; Q608-I612 PolarHBondContact O-N 3.29Å; Q608-A657 WeakPolarHBondContact CB-O 3.03Å; Q608-R659 VanDerWaalsContact NE2-NE 3.13Å; Q608-R659 VanDerWaalsContact OE1-CZ 3.28Å
609	E	97.9	Very high	97.8	Very high	131 Å²	131	40.8 Å²	40.8	61%	0.612	21%	0.211	S	C	*	.	H	α-helix	trans	-62.7	-47.9	-176.7	-74.2	173.3	-171.3	0	0	111.7	A605 H611 I612 Q613	A605-E609 WeakPolarHBondContact O-CB 3.45Å; A605-E609 VanDerWaalsContact O-CG 3.31Å; A605-E609 WeakPolarHBondContact O-CG 3.36Å; A605-E609 PolarHBondContact O-N 3Å; E609-H611 VanDerWaalsContact C-N 3.35Å; E609-H611 PolarHBondContact O-N 3.44Å; E609-I612 PolarHBondContact O-N 3.15Å; E609-Q613 WeakPolarHBondContact O-CB 3.39Å; E609-Q613 PolarHBondContact O-N 3.14Å
610	L	97.9	Very high	97.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-42.5	178.7	-173.7	71.9	0	0	0	111.1	L312 V313 A606 I612 Q613 T614 Y616 M618	L312-L610 HydrophobicContact CD1-CD1 4.41Å; L312-L610 HydrophobicContact CD1-CD2 3.87Å; L312-L610 HydrophobicContact CD2-CD2 4.14Å; L312-L610 HydrophobicContact CG-CD1 4.24Å; L312-L610 HydrophobicContact CG-CD2 4.25Å; V313-L610 HydrophobicContact CG1-CD1 3.84Å; V313-L610 HydrophobicContact CG2-CD1 4.38Å; A606-L610 WeakPolarHBondContact O-CB 3.28Å; A606-L610 PolarHBondContact O-N 3.45Å; A606-L610 VanDerWaalsContact O-N 3.1Å; L610-I612 VanDerWaalsContact C-N 3.33Å; L610-I612 PolarHBondContact O-N 2.59Å; L610-Q613 PolarHBondContact O-N 3.19Å; L610-Q613 VanDerWaalsContact O-N 3.11Å; L610-T614 HydrophobicContact CD1-CG2 4.02Å; L610-T614 PolarHBondContact O-N 2.83Å; L610-T614 PolarHBondContact O-OG1 2.82Å; L610-T614 VanDerWaalsContact O-OG1 3.05Å; L610-Y616 HydrophobicContact CD2-CD1 4.13Å; L610-M618 HydrophobicContact CB-CE 3.91Å; L610-M618 HydrophobicContact CD2-CE 3.45Å; L610-M618 VanDerWaalsContact CD2-CE 3.45Å; L610-M618 HydrophobicContact CD2-CG 3.69Å; L610-M618 HydrophobicContact CD2-SD 3.38Å; L610-M618 WeakPolarHBondContact CD2-SD 3.28Å; L610-M618 HydrophobicContact CG-CE 4.33Å
611	H	97.9	Very high	97.8	Very high	35 Å²	35	38.6 Å²	38.6	16%	0.162	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-42.7	178.1	179.4	60.5	0	0	0	112	I607 Q608 E609 Q613 G615 Y616 L617 L658 A677	I607-H611 WeakPolarHBondContact O-CB 3.12Å; I607-H611 PolarHBondContact O-N 2.82Å; Q608-H611 PolarHBondContact O-N 3Å; E609-H611 VanDerWaalsContact C-N 3.35Å; E609-H611 PolarHBondContact O-N 3.44Å; H611-Q613 VanDerWaalsContact C-N 3.31Å; H611-Q613 PolarHBondContact O-N 3.19Å; H611-G615 PolarHBondContact ND1-O 2.82Å; H611-G615 WeakPolarHBondContact O-CA 3.47Å; H611-G615 PolarHBondContact O-N 2.8Å; H611-Y616 WeakPolarHBondContact CA-O 3.36Å; H611-L617 HydrophobicContact CB-CD1 4.35Å; H611-L658 HydrophobicContact CB-CD2 3.97Å; H611-L658 WeakPolarHBondContact CD2-CD2 3.5Å; H611-A677 PolarHBondContact CE1-O 3.27Å
612	I	97.2	Very high	97.8	Very high	128 Å²	128	31.9 Å²	31.9	66%	0.656	17%	0.168	S	C	*	.	H	α-helix	trans	-63.6	-39.9	174.5	-70.2	167.7	0	0	0	111.1	Q608 E609 L610	Q608-I612 HydrophobicContact CG-CD1 3.86Å; Q608-I612 VanDerWaalsContact O-CG1 3.3Å; Q608-I612 WeakPolarHBondContact O-CG1 3.49Å; Q608-I612 PolarHBondContact O-N 3.29Å; E609-I612 PolarHBondContact O-N 3.15Å; L610-I612 VanDerWaalsContact C-N 3.33Å; L610-I612 PolarHBondContact O-N 2.59Å
613	Q	96.6	Very high	97.8	Very high	127 Å²	127	29.2 Å²	29.2	59%	0.593	15%	0.153	S	C	*	.	H	α-helix	trans	-72.7	-40.9	-175	-174.3	-178.1	0.9	0	0	113.1	E609 L610 H611	E609-Q613 WeakPolarHBondContact O-CB 3.39Å; E609-Q613 PolarHBondContact O-N 3.14Å; L610-Q613 PolarHBondContact O-N 3.19Å; L610-Q613 VanDerWaalsContact O-N 3.11Å; H611-Q613 VanDerWaalsContact C-N 3.31Å; H611-Q613 PolarHBondContact O-N 3.19Å
614	T	96.6	Very high	97.9	Very high	56 Å²	56	29.2 Å²	29.2	34%	0.344	15%	0.153	S	C	.	.	H	α-helix	trans	-127.1	-11.8	-168.3	67.9	0	0	0	0	114.2	V313 L610 Y616	V313-T614 HydrophobicContact CG1-CG2 3.45Å; V313-T614 VanDerWaalsContact CG1-CG2 3.45Å; L610-T614 HydrophobicContact CD1-CG2 4.02Å; L610-T614 PolarHBondContact O-N 2.83Å; L610-T614 PolarHBondContact O-OG1 2.82Å; L610-T614 VanDerWaalsContact O-OG1 3.05Å; T614-Y616 PolarHBondContact O-N 3.45Å; T614-Y616 WeakPolarHBondContact OG1-CB 3.46Å; T614-Y616 PolarHBondContact OG1-N 2.9Å; T614-Y616 VanDerWaalsContact OG1-N 3.07Å
615	G	96.7	Very high	97.9	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	15%	0.148	C	C	.	.	S	Bend	trans	75.2	-5.3	-167.9	0	0	0	0	0	113.9	H611 S679	H611-G615 PolarHBondContact ND1-O 2.82Å; H611-G615 WeakPolarHBondContact O-CA 3.47Å; H611-G615 PolarHBondContact O-N 2.8Å; G615-S679 PolarHBondContact O-N 2.87Å
616	Y	97.8	Very high	97.9	Very high	14 Å²	14	27.4 Å²	27.4	6%	0.055	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-74.5	127.1	179.8	-168.6	-81.5	0	0	0	110.8	L312 I318 E320 L610 H611 T614 M618 E680	L312-Y616 HydrophobicContact CD1-CD1 4.01Å; L312-Y616 HydrophobicContact CD1-CD2 4.35Å; L312-Y616 HydrophobicContact CD1-CE1 4.43Å; L312-Y616 HydrophobicContact CD1-CG 3.98Å; I318-Y616 HydrophobicContact CD1-CD1 4.49Å; I318-Y616 HydrophobicContact CD1-CE1 3.52Å; I318-Y616 VanDerWaalsContact CD1-OH 3.31Å; I318-Y616 WeakPolarHBondContact CD1-OH 3.4Å; I318-Y616 HydrophobicContact CG2-CE2 4.26Å; E320-Y616 PolarHBondContact OE1-OH 2.99Å; L610-Y616 HydrophobicContact CD2-CD1 4.13Å; H611-Y616 WeakPolarHBondContact CA-O 3.36Å; T614-Y616 PolarHBondContact O-N 3.45Å; T614-Y616 WeakPolarHBondContact OG1-CB 3.46Å; T614-Y616 PolarHBondContact OG1-N 2.9Å; T614-Y616 VanDerWaalsContact OG1-N 3.07Å; Y616-M618 HydrophobicContact CD1-CG 3.87Å; Y616-M618 HydrophobicContact CE1-CG 3.84Å; Y616-E680 CarbonylContact C-O 3.6Å; Y616-E680 VanDerWaalsContact CA-O 3.24Å; Y616-E680 WeakPolarHBondContact CA-O 2.81Å; Y616-E680 HydrophobicContact CD2-CB 3.93Å; Y616-E680 HydrophobicContact CE2-CB 4.37Å
617	L	97.9	Very high	97.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.138	C	C	.	.			trans	-105.1	111.5	-178.4	-167.2	59.5	0	0	0	111.4	I607 H611 Y647 V654 L658 L674 A678 E680 P681	I607-L617 HydrophobicContact CG2-CD1 3.98Å; H611-L617 HydrophobicContact CB-CD1 4.35Å; L617-Y647 HydrophobicContact CB-CD1 4.02Å; L617-Y647 HydrophobicContact CB-CE1 4.39Å; L617-Y647 HydrophobicContact CB-CG 4.37Å; L617-Y647 HydrophobicContact CD2-CD1 4.07Å; L617-Y647 HydrophobicContact CD2-CD2 3.66Å; L617-Y647 HydrophobicContact CD2-CE1 4.3Å; L617-Y647 HydrophobicContact CD2-CE2 3.96Å; L617-Y647 HydrophobicContact CD2-CG 3.76Å; L617-Y647 HydrophobicContact CG-CD1 4.08Å; L617-Y647 HydrophobicContact CG-CD2 4.32Å; L617-Y647 HydrophobicContact CG-CG 3.91Å; L617-V654 HydrophobicContact CD1-CG1 3.7Å; L617-V654 HydrophobicContact CD2-CG1 3.85Å; L617-V654 HydrophobicContact CG-CG1 3.94Å; L617-L658 HydrophobicContact CD1-CD1 3.93Å; L617-L658 HydrophobicContact CD1-CD2 3.95Å; L617-L658 HydrophobicContact CD1-CG 4.21Å; L617-L658 HydrophobicContact CD2-CD1 4.34Å; L617-L674 HydrophobicContact CD2-CB 4.41Å; L617-L674 HydrophobicContact CD2-CD2 4.46Å; L617-A678 HydrophobicContact CB-CB 3.8Å; L617-A678 HydrophobicContact CD2-CB 3.96Å; L617-E680 PolarHBondContact N-O 2.83Å; L617-P681 WeakPolarHBondContact O-CD 3.16Å
618	M	97.6	Very high	97.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.138	C	C	.	.			trans	-86.4	150.2	177	-68.5	-177.2	-58.6	0	0	112.1	A606 I607 L610 Y616 T622 A623 K626	A606-M618 WeakPolarHBondContact O-CE 3.3Å; I607-M618 HydrophobicContact CG1-CB 4.49Å; L610-M618 HydrophobicContact CB-CE 3.91Å; L610-M618 HydrophobicContact CD2-CE 3.45Å; L610-M618 VanDerWaalsContact CD2-CE 3.45Å; L610-M618 HydrophobicContact CD2-CG 3.69Å; L610-M618 HydrophobicContact CD2-SD 3.38Å; L610-M618 WeakPolarHBondContact CD2-SD 3.28Å; L610-M618 HydrophobicContact CG-CE 4.33Å; Y616-M618 HydrophobicContact CD1-CG 3.87Å; Y616-M618 HydrophobicContact CE1-CG 3.84Å; M618-T622 HydrophobicContact CB-CG2 4.22Å; M618-T622 HydrophobicContact CG-CG2 3.84Å; M618-T622 HydrophobicContact SD-CG2 3.79Å; M618-A623 HydrophobicContact CE-CB 4.09Å; M618-K626 HydrophobicContact CE-CB 4.2Å; M618-K626 HydrophobicContact CE-CG 4.16Å; M618-K626 HydrophobicContact SD-CB 4.02Å; M618-K626 HydrophobicContact SD-CG 4.3Å
619	D	97.7	Very high	97.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.13	C	C	.	.			trans	-74.8	164.8	157.5	98.4	83.3	0	0	0	110.9	H621 T622 A623 A645 F650	D619-H621 PolarHBondContact O-N 2.7Å; D619-H621 WeakPolarHBondContact OD1-CA 3.08Å; D619-H621 VanDerWaalsContact OD1-CB 3.23Å; D619-H621 WeakPolarHBondContact OD1-CB 3.49Å; D619-H621 IonicContact OD1-CE1 2.75Å; D619-H621 IonicContact OD1-CG 3.99Å; D619-H621 PolarHBondContact OD1-N 2.86Å; D619-H621 IonicContact OD1-ND1 3.21Å; D619-H621 PolarHBondContact OD1-ND1 3.18Å; D619-T622 PolarHBondContact O-N 2.94Å; D619-T622 WeakPolarHBondContact OD2-CB 2.96Å; D619-T622 PolarHBondContact OD2-N 3.17Å; D619-T622 PolarHBondContact OD2-OG1 2.76Å; D619-A623 PolarHBondContact O-N 2.62Å; D619-A645 HydrophobicContact CB-CB 4.46Å; D619-A645 WeakPolarHBondContact CB-O 3.37Å; D619-A645 PolarHBondContact OD2-N 2.66Å; D619-F650 HydrophobicContact CB-CD2 4.24Å
620	T	97.5	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-34.8	-177.3	51.7	0	0	0	0	114.1	H539 C603 I607 A623 V624 A653	H539-T620 HydrophobicContact CB-CG2 3.97Å; H539-T620 VanDerWaalsContact O-CB 3.29Å; H539-T620 WeakPolarHBondContact O-CB 3.44Å; H539-T620 WeakPolarHBondContact O-CG2 3.31Å; H539-T620 PolarHBondContact O-OG1 3.49Å; C603-T620 PolarHBondContact SG-O 3.14Å; C603-T620 VanDerWaalsContact SG-O 3.36Å; I607-T620 HydrophobicContact CD1-CG2 3.92Å; T620-A623 PolarHBondContact O-N 2.74Å; T620-V624 WeakPolarHBondContact O-CG2 3.46Å; T620-V624 PolarHBondContact O-N 3.23Å; T620-A653 HydrophobicContact CG2-CB 3.63Å
621	H	98	Very high	97.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-67.9	-44.3	176	-51.9	75.1	0	0	0	110.4	P486 S540 A542 D619 A623 V624 A625 T644 F650	P486-H621 HydrophobicContact CB-CB 4.13Å; P486-H621 VanDerWaalsContact CB-O 3.28Å; P486-H621 WeakPolarHBondContact CB-O 3.08Å; P486-H621 HydrophobicContact CG-CB 4.23Å; S540-H621 WeakPolarHBondContact CA-NE2 3.46Å; S540-H621 PolarHBondContact O-NE2 3.4Å; A542-H621 WeakPolarHBondContact CB-NE2 3.48Å; A542-H621 PolarHBondContact N-NE2 2.92Å; A542-H621 VanDerWaalsContact N-NE2 3.17Å; D619-H621 PolarHBondContact O-N 2.7Å; D619-H621 WeakPolarHBondContact OD1-CA 3.08Å; D619-H621 VanDerWaalsContact OD1-CB 3.23Å; D619-H621 WeakPolarHBondContact OD1-CB 3.49Å; D619-H621 IonicContact OD1-CE1 2.75Å; D619-H621 IonicContact OD1-CG 3.99Å; D619-H621 PolarHBondContact OD1-N 2.86Å; D619-H621 IonicContact OD1-ND1 3.21Å; D619-H621 PolarHBondContact OD1-ND1 3.18Å; H621-A623 VanDerWaalsContact C-N 3.28Å; H621-A623 PolarHBondContact O-N 3.14Å; H621-V624 WeakPolarHBondContact O-CB 3.47Å; H621-V624 PolarHBondContact O-N 2.89Å; H621-A625 PolarHBondContact O-N 3.42Å; H621-T644 WeakPolarHBondContact CB-OG1 3.42Å; H621-F650 AromaticContact CE1-CD2 3.84Å; H621-F650 AromaticContact CE1-CE1 3.64Å; H621-F650 AromaticContact CE1-CE2 3.28Å; H621-F650 WeakPolarHBondContact CE1-CE2 3.33Å; H621-F650 AromaticContact CE1-CZ 3.19Å; H621-F650 WeakPolarHBondContact CE1-CZ 3.36Å; H621-F650 AromaticContact ND1-CD2 3.86Å; H621-F650 AromaticContact ND1-CE2 3.47Å; H621-F650 WeakPolarHBondContact ND1-CE2 3.39Å; H621-F650 AromaticContact ND1-CZ 3.88Å
622	T	98.6	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-39.5	174.8	-55.5	0	0	0	0	111.2	I318 M618 D619 V624 A625 K626 S643	I318-T622 HydrophobicContact CD1-CG2 3.63Å; M618-T622 HydrophobicContact CB-CG2 4.22Å; M618-T622 HydrophobicContact CG-CG2 3.84Å; M618-T622 HydrophobicContact SD-CG2 3.79Å; D619-T622 PolarHBondContact O-N 2.94Å; D619-T622 WeakPolarHBondContact OD2-CB 2.96Å; D619-T622 PolarHBondContact OD2-N 3.17Å; D619-T622 PolarHBondContact OD2-OG1 2.76Å; T622-V624 PolarHBondContact O-N 2.96Å; T622-A625 WeakPolarHBondContact O-CB 3.48Å; T622-A625 PolarHBondContact O-N 3.07Å; T622-K626 PolarHBondContact O-N 2.86Å; T622-S643 WeakPolarHBondContact OG1-CA 3.29Å; T622-S643 WeakPolarHBondContact OG1-CB 3.5Å; T622-S643 PolarHBondContact OG1-OG 3.45Å
623	A	98.6	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-38.5	176.1	0	0	0	0	0	113	A606 I607 M618 D619 T620 H621 A625 K626 V627	A606-A623 HydrophobicContact CB-CB 4.49Å; I607-A623 HydrophobicContact CD1-CB 4.08Å; I607-A623 HydrophobicContact CG1-CB 3.5Å; I607-A623 VanDerWaalsContact CG1-CB 3.5Å; M618-A623 HydrophobicContact CE-CB 4.09Å; D619-A623 PolarHBondContact O-N 2.62Å; T620-A623 PolarHBondContact O-N 2.74Å; H621-A623 VanDerWaalsContact C-N 3.28Å; H621-A623 PolarHBondContact O-N 3.14Å; A623-A625 VanDerWaalsContact C-N 3.32Å; A623-A625 PolarHBondContact O-N 3.48Å; A623-K626 WeakPolarHBondContact O-CB 3.33Å; A623-K626 PolarHBondContact O-N 3.39Å; A623-V627 WeakPolarHBondContact O-CG2 3.35Å; A623-V627 PolarHBondContact O-N 3.38Å
624	V	98.8	Very high	97.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-45.1	172.1	167.8	0	0	0	0	111.1	A512 S513 N514 I543 C598 T620 H621 T622 V628	A512-V624 HydrophobicContact CB-CG1 3.94Å; S513-V624 WeakPolarHBondContact O-CG1 3.46Å; N514-V624 HydrophobicContact CB-CG2 4.32Å; I543-V624 HydrophobicContact CD1-CB 4.44Å; I543-V624 HydrophobicContact CD1-CG1 4.04Å; I543-V624 HydrophobicContact CD1-CG2 4.44Å; C598-V624 HydrophobicContact CB-CB 4.18Å; C598-V624 HydrophobicContact CB-CG1 3.93Å; C598-V624 HydrophobicContact CB-CG2 4.04Å; T620-V624 WeakPolarHBondContact O-CG2 3.46Å; T620-V624 PolarHBondContact O-N 3.23Å; H621-V624 WeakPolarHBondContact O-CB 3.47Å; H621-V624 PolarHBondContact O-N 2.89Å; T622-V624 PolarHBondContact O-N 2.96Å; V624-V628 WeakPolarHBondContact O-CG2 2.98Å; V624-V628 PolarHBondContact O-N 3.22Å
625	A	98.6	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-42	175.4	0	0	0	0	0	112.2	C484 P486 A512 H621 T622 A623 V627 V628 A629	C484-A625 PolarHBondContact SG-O 3.48Å; C484-A625 VanDerWaalsContact SG-O 3.33Å; P486-A625 HydrophobicContact CB-CB 4.39Å; P486-A625 HydrophobicContact CG-CB 4.35Å; A512-A625 HydrophobicContact CB-CB 4.32Å; H621-A625 PolarHBondContact O-N 3.42Å; T622-A625 WeakPolarHBondContact O-CB 3.48Å; T622-A625 PolarHBondContact O-N 3.07Å; A623-A625 VanDerWaalsContact C-N 3.32Å; A623-A625 PolarHBondContact O-N 3.48Å; A625-V627 PolarHBondContact O-N 3.43Å; A625-V628 PolarHBondContact O-N 3.24Å; A625-A629 WeakPolarHBondContact O-CB 3.49Å; A625-A629 PolarHBondContact O-N 2.82Å
626	K	98.6	Very high	96.8	Very high	18 Å²	18	27.5 Å²	27.5	8%	0.078	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-49.9	176.3	179.8	66.4	169.7	77	0	112	L312 Q316 M618 T622 A623 V628 A629 D630 L641	L312-K626 HydrophobicContact CD2-CD 4.12Å; Q316-K626 VanDerWaalsContact OE1-NZ 3.14Å; M618-K626 HydrophobicContact CE-CB 4.2Å; M618-K626 HydrophobicContact CE-CG 4.16Å; M618-K626 HydrophobicContact SD-CB 4.02Å; M618-K626 HydrophobicContact SD-CG 4.3Å; T622-K626 PolarHBondContact O-N 2.86Å; A623-K626 WeakPolarHBondContact O-CB 3.33Å; A623-K626 PolarHBondContact O-N 3.39Å; K626-V628 PolarHBondContact O-N 3.12Å; K626-A629 PolarHBondContact O-N 3.14Å; K626-D630 IonicContact NZ-OD1 3.63Å; K626-D630 PolarHBondContact NZ-OD1 3.4Å; K626-D630 IonicContact NZ-OD2 2.93Å; K626-D630 PolarHBondContact NZ-OD2 3.46Å; K626-D630 WeakPolarHBondContact O-CB 3.4Å; K626-D630 PolarHBondContact O-N 2.89Å; K626-L641 HydrophobicContact CB-CD1 3.98Å; K626-L641 HydrophobicContact CD-CD1 3.52Å; K626-L641 HydrophobicContact CG-CD1 4.37Å
627	V	98.7	Very high	96.8	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-45.3	-179.3	170.2	0	0	0	0	111.3	C598 D602 A606 A623 A625 D630 R631	C598-V627 HydrophobicContact CB-CB 4.23Å; C598-V627 HydrophobicContact CB-CG1 4.14Å; D602-V627 HydrophobicContact CB-CG1 4.09Å; D602-V627 HydrophobicContact CB-CG2 4.24Å; A606-V627 HydrophobicContact CB-CG2 3.49Å; A606-V627 VanDerWaalsContact CB-CG2 3.49Å; A623-V627 WeakPolarHBondContact O-CG2 3.35Å; A623-V627 PolarHBondContact O-N 3.38Å; A625-V627 PolarHBondContact O-N 3.43Å; V627-D630 PolarHBondContact O-N 2.97Å; V627-R631 WeakPolarHBondContact O-CD 3.43Å; V627-R631 VanDerWaalsContact O-CG 3.31Å; V627-R631 WeakPolarHBondContact O-CG 3.45Å; V627-R631 PolarHBondContact O-N 3.24Å
628	V	98.6	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-42.5	179.8	171.7	0	0	0	0	111.2	I510 A512 V624 A625 K626 D630 R631 L632	I510-V628 HydrophobicContact CG2-CG1 3.81Å; A512-V628 HydrophobicContact CB-CB 3.65Å; A512-V628 HydrophobicContact CB-CG1 3.98Å; A512-V628 HydrophobicContact CB-CG2 3.69Å; V624-V628 WeakPolarHBondContact O-CG2 2.98Å; V624-V628 PolarHBondContact O-N 3.22Å; A625-V628 PolarHBondContact O-N 3.24Å; K626-V628 PolarHBondContact O-N 3.12Å; V628-D630 VanDerWaalsContact C-N 3.32Å; V628-D630 PolarHBondContact O-N 2.85Å; V628-R631 PolarHBondContact O-N 3.3Å; V628-L632 HydrophobicContact CG1-CD1 3.7Å; V628-L632 HydrophobicContact CG1-CG 4.37Å; V628-L632 WeakPolarHBondContact O-CB 3.37Å; V628-L632 WeakPolarHBondContact O-CG 3.47Å; V628-L632 PolarHBondContact O-N 3.46Å
629	A	98.2	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-41.3	174.8	0	0	0	0	0	111.8	C484 A625 K626 R631 L632 Q633 T639 L641	C484-A629 HydrophobicContact CB-CB 3.97Å; A625-A629 WeakPolarHBondContact O-CB 3.49Å; A625-A629 PolarHBondContact O-N 2.82Å; K626-A629 PolarHBondContact O-N 3.14Å; A629-R631 PolarHBondContact O-N 3.07Å; A629-L632 PolarHBondContact O-N 3.43Å; A629-Q633 WeakPolarHBondContact O-CB 3.49Å; A629-Q633 VanDerWaalsContact O-CG 3.24Å; A629-Q633 WeakPolarHBondContact O-CG 3.39Å; A629-Q633 PolarHBondContact O-N 3.48Å; A629-T639 HydrophobicContact CB-CG2 4.17Å; A629-L641 HydrophobicContact CB-CD2 3.37Å
630	D	97.8	Very high	96.9	Very high	66 Å²	66	27.6 Å²	27.6	35%	0.353	15%	0.154	S	C	.	.	H	α-helix	trans	-60.7	-35.1	177.4	-74.4	-20.4	0	0	0	113.1	Q316 K626 V627 V628 Q633	Q316-D630 PolarHBondContact NE2-OD1 3.37Å; Q316-D630 PolarHBondContact OE1-OD1 2.74Å; K626-D630 IonicContact NZ-OD1 3.63Å; K626-D630 PolarHBondContact NZ-OD1 3.4Å; K626-D630 IonicContact NZ-OD2 2.93Å; K626-D630 PolarHBondContact NZ-OD2 3.46Å; K626-D630 WeakPolarHBondContact O-CB 3.4Å; K626-D630 PolarHBondContact O-N 2.89Å; V627-D630 PolarHBondContact O-N 2.97Å; V628-D630 VanDerWaalsContact C-N 3.32Å; V628-D630 PolarHBondContact O-N 2.85Å; D630-Q633 PolarHBondContact OD1-NE2 2.9Å
631	R	97.7	Very high	97	Very high	128 Å²	128	27.6 Å²	27.6	48%	0.483	15%	0.154	S	C	.	.	H	α-helix	trans	-78.8	-30.8	179.8	-69.4	167.3	-179.1	178.1	-2.6	113.4	W597 D602 V627 V628 A629	W597-R631 PolarHBondContact O-NH1 3.48Å; D602-R631 IonicContact OD1-NH2 2.79Å; D602-R631 PolarHBondContact OD1-NH2 3.31Å; D602-R631 IonicContact OD2-CZ 3.46Å; D602-R631 IonicContact OD2-NH1 3.7Å; D602-R631 IonicContact OD2-NH2 3.15Å; D602-R631 PolarHBondContact OD2-NH2 3.49Å; V627-R631 WeakPolarHBondContact O-CD 3.43Å; V627-R631 VanDerWaalsContact O-CG 3.31Å; V627-R631 WeakPolarHBondContact O-CG 3.45Å; V627-R631 PolarHBondContact O-N 3.24Å; V628-R631 PolarHBondContact O-N 3.3Å; A629-R631 PolarHBondContact O-N 3.07Å
632	L	96	Very high	97	Very high	60 Å²	60	27.5 Å²	27.5	31%	0.314	15%	0.154	S	C	.	.	H	α-helix	trans	-105.9	-20.4	-171.1	-64	-178.7	0	0	0	114.2	I510 Q594 V628 A629 D634	I510-L632 HydrophobicContact CG2-CD1 3.69Å; Q594-L632 HydrophobicContact CB-CD1 4.4Å; V628-L632 HydrophobicContact CG1-CD1 3.7Å; V628-L632 HydrophobicContact CG1-CG 4.37Å; V628-L632 WeakPolarHBondContact O-CB 3.37Å; V628-L632 WeakPolarHBondContact O-CG 3.47Å; V628-L632 PolarHBondContact O-N 3.46Å; A629-L632 PolarHBondContact O-N 3.43Å; L632-D634 PolarHBondContact O-N 3.1Å
633	Q	90.9	Very high	97	Very high	51 Å²	51	27.6 Å²	27.6	24%	0.238	15%	0.154	C	C	.	.			trans	-62	137.1	178	69.5	-175.2	-29.9	0	0	111	Q316 A629 D630	Q316-Q633 VanDerWaalsContact NE2-CD 3.35Å; Q316-Q633 VanDerWaalsContact NE2-NE2 3.1Å; Q316-Q633 VanDerWaalsContact NE2-OE1 3.12Å; A629-Q633 WeakPolarHBondContact O-CB 3.49Å; A629-Q633 VanDerWaalsContact O-CG 3.24Å; A629-Q633 WeakPolarHBondContact O-CG 3.39Å; A629-Q633 PolarHBondContact O-N 3.48Å; D630-Q633 PolarHBondContact OD1-NE2 2.9Å
634	D	91.6	Very high	97	Very high	100 Å²	100	27.9 Å²	27.9	54%	0.535	16%	0.156	S	C	.	.			trans	-106	-1.1	176.3	63.1	8.8	0	0	0	112.7	R507 L632 S636	R507-D634 IonicContact CZ-OD1 2.72Å; R507-D634 IonicContact CZ-OD2 3.25Å; R507-D634 IonicContact NH1-OD1 3.89Å; R507-D634 IonicContact NH1-OD2 2.94Å; R507-D634 PolarHBondContact NH1-OD2 3.3Å; R507-D634 IonicContact NH2-OD1 2.74Å; R507-D634 PolarHBondContact NH2-OD1 3.01Å; R507-D634 IonicContact NH2-OD2 3.67Å; R507-D634 PolarHBondContact NH2-OD2 2.9Å; R507-D634 VanDerWaalsContact NH2-OD2 3.15Å; L632-D634 PolarHBondContact O-N 3.1Å; D634-S636 VanDerWaalsContact CG-OG 3.31Å; D634-S636 PolarHBondContact O-N 3.27Å; D634-S636 VanDerWaalsContact OD1-CB 3.27Å; D634-S636 WeakPolarHBondContact OD1-CB 3.24Å; D634-S636 PolarHBondContact OD1-N 2.67Å; D634-S636 PolarHBondContact OD1-OG 2.98Å; D634-S636 PolarHBondContact OD2-OG 3.09Å
635	G	90.8	Very high	96.9	Very high	49 Å²	49	28 Å²	28	51%	0.505	16%	0.157	S	C	.	.	S	Bend	trans	74.6	3.1	-178.9	0	0	0	0	0	115.1
636	S	93.8	Very high	96.8	Very high	74 Å²	74	28 Å²	28	52%	0.517	16%	0.157	S	C	.	.	S	Bend	trans	-73.7	-25.5	-176.3	65.3	0	0	0	0	114.2	R507 D634	R507-S636 PolarHBondContact NH1-OG 3.2Å; R507-S636 PolarHBondContact NH2-OG 2.86Å; D634-S636 VanDerWaalsContact CG-OG 3.31Å; D634-S636 PolarHBondContact O-N 3.27Å; D634-S636 VanDerWaalsContact OD1-CB 3.27Å; D634-S636 WeakPolarHBondContact OD1-CB 3.24Å; D634-S636 PolarHBondContact OD1-N 2.67Å; D634-S636 PolarHBondContact OD1-OG 2.98Å; D634-S636 PolarHBondContact OD2-OG 3.09Å
637	C	97	Very high	96.7	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.041	15%	0.153	C	C	.	.	S	Bend	trans	-148.5	164.9	175.7	65.2	0	0	0	0	111.1	N315 P480 R507	N315-C637 PolarHBondContact ND2-O 3.12Å; N315-C637 VanDerWaalsContact ND2-O 3.17Å; P480-C637 HydrophobicContact CB-CB 4.36Å; P480-C637 HydrophobicContact CG-CB 4.06Å; P480-C637 WeakPolarHBondContact O-CB 3.47Å; R507-C637 PolarHBondContact NE-SG 3.18Å
638	P	98.1	Very high	96.4	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.084	15%	0.15	C	C	.	.			trans	-57.6	144.5	173.8	-24.4	35	0	0	0	112.3	N315 Y317 I475 L481 D482	N315-P638 WeakPolarHBondContact O-CA 3.49Å; Y317-P638 HydrophobicContact CD2-CB 4.01Å; Y317-P638 HydrophobicContact CE2-CB 3.97Å; I475-P638 HydrophobicContact CG2-CG 3.8Å; L481-P638 WeakPolarHBondContact CA-O 3.42Å; D482-P638 PolarHBondContact N-O 3.27Å
639	T	98.6	Very high	96.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.3	172.8	-54.2	0	0	0	0	110.1	N315 Q316 Y317 D482 C484 A629 L641	N315-T639 PolarHBondContact O-N 2.87Å; Q316-T639 WeakPolarHBondContact CA-O 3.3Å; Y317-T639 PolarHBondContact N-O 3.48Å; D482-T639 HydrophobicContact CB-CG2 4.31Å; D482-T639 CarbonylContact O-C 3.49Å; D482-T639 WeakPolarHBondContact O-CA 3.35Å; C484-T639 HydrophobicContact CB-CG2 4.3Å; A629-T639 HydrophobicContact CB-CG2 4.17Å; T639-L641 HydrophobicContact CG2-CD2 4.17Å
640	V	98.8	Very high	95.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.2	176	180	0	0	0	0	109.7	Y317 Q319 L469 L481 D482 V483 C484	Y317-V640 CarbonylContact O-C 3.46Å; Y317-V640 WeakPolarHBondContact O-CA 3.47Å; Q319-V640 HydrophobicContact CB-CG1 3.82Å; L469-V640 HydrophobicContact CD1-CG2 3.83Å; L481-V640 HydrophobicContact CD1-CG2 4.34Å; L481-V640 HydrophobicContact CD2-CG2 4.25Å; D482-V640 PolarHBondContact O-N 3.2Å; V483-V640 CarbonylContact C-O 3.49Å; V483-V640 WeakPolarHBondContact CA-O 3.28Å; C484-V640 PolarHBondContact N-O 3.46Å
641	L	98.8	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.9	173.1	-48.6	-175.9	0	0	0	109.6	L312 Y317 I318 Q319 C484 K626 A629 T639 S643	L312-L641 HydrophobicContact CD2-CD1 3.71Å; Y317-L641 PolarHBondContact O-N 3.24Å; I318-L641 WeakPolarHBondContact CA-O 3.4Å; Q319-L641 PolarHBondContact N-O 3.08Å; C484-L641 HydrophobicContact CB-CD2 3.75Å; K626-L641 HydrophobicContact CB-CD1 3.98Å; K626-L641 HydrophobicContact CD-CD1 3.52Å; K626-L641 HydrophobicContact CG-CD1 4.37Å; A629-L641 HydrophobicContact CB-CD2 3.37Å; T639-L641 HydrophobicContact CG2-CD2 4.17Å; L641-S643 PolarHBondContact O-N 2.93Å
642	C	98.8	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.3	173	-69.4	0	0	0	0	110.2	L321 C484 I485 P486 T644	L321-C642 HydrophobicContact CD1-CB 4.07Å; C484-C642 PolarHBondContact O-N 3.02Å; I485-C642 HydrophobicContact CG1-CB 4.41Å; P486-C642 WeakPolarHBondContact CD-O 3.44Å; C642-T644 HydrophobicContact CB-CG2 4.43Å; C642-T644 PolarHBondContact O-N 2.64Å
643	S	98.5	Very high	95.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	98.5	174.9	-169.6	0	0	0	0	110.5	Q319 L321 F322 T622 L641	Q319-S643 WeakPolarHBondContact O-CB 3.42Å; Q319-S643 PolarHBondContact O-N 2.83Å; L321-S643 WeakPolarHBondContact CB-O 3.45Å; L321-S643 PolarHBondContact N-O 3.44Å; F322-S643 VanDerWaalsContact CE1-OG 3.26Å; F322-S643 WeakPolarHBondContact CE1-OG 3.43Å; T622-S643 WeakPolarHBondContact OG1-CA 3.29Å; T622-S643 WeakPolarHBondContact OG1-CB 3.5Å; T622-S643 PolarHBondContact OG1-OG 3.45Å; L641-S643 PolarHBondContact O-N 2.93Å
644	T	97.8	Very high	95.5	Very high	7 Å²	7	17 Å²	17	4%	0.043	12%	0.115	C	C	.	.			trans	-85.2	-13.4	-164.2	48.9	0	0	0	0	115.2	S328 F329 P486 H621 C642	S328-T644 CarbonylContact C-O 3.54Å; S328-T644 WeakPolarHBondContact CA-O 3.31Å; F329-T644 HydrophobicContact CB-CG2 4.36Å; F329-T644 HydrophobicContact CD1-CG2 3.86Å; F329-T644 HydrophobicContact CE1-CG2 4.31Å; F329-T644 HydrophobicContact CG-CG2 4.06Å; F329-T644 PolarHBondContact N-O 3.09Å; P486-T644 HydrophobicContact CG-CG2 3.65Å; H621-T644 WeakPolarHBondContact CB-OG1 3.42Å; C642-T644 HydrophobicContact CB-CG2 4.43Å; C642-T644 PolarHBondContact O-N 2.64Å
645	A	96.9	Very high	95.7	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-150.1	157	177.7	0	0	0	0	0	111.2	F322 D619 K649 F650	F322-A645 VanDerWaalsContact CD1-O 3.31Å; F322-A645 WeakPolarHBondContact CD1-O 3.35Å; D619-A645 HydrophobicContact CB-CB 4.46Å; D619-A645 WeakPolarHBondContact CB-O 3.37Å; D619-A645 PolarHBondContact OD2-N 2.66Å; A645-K649 HydrophobicContact CB-CD 4.47Å; A645-F650 HydrophobicContact CB-CD2 4.33Å; A645-F650 HydrophobicContact CB-CE2 3.65Å
646	H	97.3	Very high	96	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.09	C	C	.	.			trans	-76.6	141.5	170.9	-175.8	-87.7	0	0	0	110.2	F322 A327 G648 K649 A682 H684	F322-H646 HydrophobicContact CB-CB 4.06Å; F322-H646 VanDerWaalsContact CB-N 3.33Å; F322-H646 HydrophobicContact CD2-CB 3.87Å; F322-H646 AromaticContact CD2-CD2 3.88Å; F322-H646 AromaticContact CE2-CD2 3.9Å; F322-H646 HydrophobicContact CG-CB 3.95Å; A327-H646 HydrophobicContact CB-CB 3.83Å; A327-H646 PolarHBondContact O-N 3.48Å; A327-H646 VanDerWaalsContact O-N 3.1Å; H646-G648 PolarHBondContact ND1-N 3.4Å; H646-G648 PolarHBondContact O-N 2.8Å; H646-G648 VanDerWaalsContact O-N 3.07Å; H646-K649 WeakPolarHBondContact O-CB 3.38Å; H646-K649 PolarHBondContact O-N 2.95Å; H646-A682 PolarHBondContact NE2-O 3.05Å; H646-A682 VanDerWaalsContact NE2-O 3.12Å; H646-H684 PolarHBondContact NE2-N 2.91Å
647	Y	95.9	Very high	96.1	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-52.9	-36	-177.7	64	-102	0	0	0	113	L617 K649 F650 A651 L674 G675 A678 P681	L617-Y647 HydrophobicContact CB-CD1 4.02Å; L617-Y647 HydrophobicContact CB-CE1 4.39Å; L617-Y647 HydrophobicContact CB-CG 4.37Å; L617-Y647 HydrophobicContact CD2-CD1 4.07Å; L617-Y647 HydrophobicContact CD2-CD2 3.66Å; L617-Y647 HydrophobicContact CD2-CE1 4.3Å; L617-Y647 HydrophobicContact CD2-CE2 3.96Å; L617-Y647 HydrophobicContact CD2-CG 3.76Å; L617-Y647 HydrophobicContact CG-CD1 4.08Å; L617-Y647 HydrophobicContact CG-CD2 4.32Å; L617-Y647 HydrophobicContact CG-CG 3.91Å; Y647-K649 PolarHBondContact O-N 3.37Å; Y647-K649 VanDerWaalsContact O-N 3.11Å; Y647-F650 CarbonylContact O-C 3.56Å; Y647-F650 PolarHBondContact O-N 3.47Å; Y647-A651 PolarHBondContact O-N 2.91Å; Y647-L674 HydrophobicContact CD2-CB 4.05Å; Y647-L674 HydrophobicContact CD2-CD1 4.1Å; Y647-L674 HydrophobicContact CE2-CB 3.6Å; Y647-L674 HydrophobicContact CE2-CD1 4.41Å; Y647-G675 WeakPolarHBondContact OH-CA 3.03Å; Y647-A678 HydrophobicContact CE1-CB 4.26Å; Y647-P681 HydrophobicContact CD1-CG 4.03Å; Y647-P681 HydrophobicContact CE1-CG 3.93Å; Y647-P681 WeakPolarHBondContact CE1-O 3.03Å
648	G	93.6	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-61.2	-19	179.8	0	0	0	0	0	114.6	H646 F650	H646-G648 PolarHBondContact ND1-N 3.4Å; H646-G648 PolarHBondContact O-N 2.8Å; H646-G648 VanDerWaalsContact O-N 3.07Å; G648-F650 VanDerWaalsContact C-N 3.26Å; G648-F650 PolarHBondContact O-N 3.03Å
649	K	92.1	Very high	95.9	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-71.2	-23	173.7	-60.7	-155.8	74.9	164.8	0	113.2	T326 A327 D360 S392 A645 H646 Y647 M687	T326-K649 WeakPolarHBondContact O-CE 3.27Å; T326-K649 PolarHBondContact O-NZ 3.29Å; A327-K649 HydrophobicContact CB-CD 4.08Å; A327-K649 HydrophobicContact CB-CG 4.23Å; A327-K649 VanDerWaalsContact O-CD 3.24Å; A327-K649 WeakPolarHBondContact O-CD 3.42Å; D360-K649 WeakPolarHBondContact OD1-CE 3.22Å; D360-K649 IonicContact OD1-NZ 3.15Å; D360-K649 PolarHBondContact OD1-NZ 3.17Å; S392-K649 PolarHBondContact OG-O 2.88Å; A645-K649 HydrophobicContact CB-CD 4.47Å; H646-K649 WeakPolarHBondContact O-CB 3.38Å; H646-K649 PolarHBondContact O-N 2.95Å; Y647-K649 PolarHBondContact O-N 3.37Å; Y647-K649 VanDerWaalsContact O-N 3.11Å; K649-M687 HydrophobicContact CG-SD 4.01Å
650	F	92.9	Very high	95.6	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.057	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-124.1	34.7	-176.8	-56.3	-73.4	0	0	0	111	P541 D619 H621 A645 Y647 G648 P652 A653 V654	P541-F650 HydrophobicContact CG-CD1 4.36Å; P541-F650 HydrophobicContact CG-CE1 3.8Å; D619-F650 HydrophobicContact CB-CD2 4.24Å; H621-F650 AromaticContact CE1-CD2 3.84Å; H621-F650 AromaticContact CE1-CE1 3.64Å; H621-F650 AromaticContact CE1-CE2 3.28Å; H621-F650 WeakPolarHBondContact CE1-CE2 3.33Å; H621-F650 AromaticContact CE1-CZ 3.19Å; H621-F650 WeakPolarHBondContact CE1-CZ 3.36Å; H621-F650 AromaticContact ND1-CD2 3.86Å; H621-F650 AromaticContact ND1-CE2 3.47Å; H621-F650 WeakPolarHBondContact ND1-CE2 3.39Å; H621-F650 AromaticContact ND1-CZ 3.88Å; A645-F650 HydrophobicContact CB-CD2 4.33Å; A645-F650 HydrophobicContact CB-CE2 3.65Å; Y647-F650 CarbonylContact O-C 3.56Å; Y647-F650 PolarHBondContact O-N 3.47Å; G648-F650 VanDerWaalsContact C-N 3.26Å; G648-F650 PolarHBondContact O-N 3.03Å; F650-P652 VanDerWaalsContact C-CD 3.48Å; F650-A653 PolarHBondContact O-N 2.99Å; F650-V654 PolarHBondContact O-N 2.99Å
651	A	92.9	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-47.9	-46.3	-172.2	0	0	0	0	0	114.3	Y647 A653 V654 F655 Q670 L674	Y647-A651 PolarHBondContact O-N 2.91Å; A651-A653 VanDerWaalsContact C-N 3.32Å; A651-A653 PolarHBondContact O-N 2.86Å; A651-V654 PolarHBondContact O-N 3.15Å; A651-V654 VanDerWaalsContact O-N 3.08Å; A651-F655 HydrophobicContact CB-CD2 4.34Å; A651-F655 HydrophobicContact CB-CE2 4.24Å; A651-F655 WeakPolarHBondContact O-CD2 3.2Å; A651-F655 PolarHBondContact O-N 3.47Å; A651-Q670 HydrophobicContact CB-CB 4.32Å; A651-L674 HydrophobicContact CB-CD1 3.52Å
652	P	91.8	Very high	94.2	Very high	78 Å²	78	38.5 Å²	38.5	51%	0.506	19%	0.186	S	C	.	.	H	α-helix	trans	-57.5	-40.1	179.7	-27	36.2	0	0	0	114.2	F650 K656	F650-P652 VanDerWaalsContact C-CD 3.48Å; P652-K656 PolarHBondContact O-N 2.99Å; P652-K656 VanDerWaalsContact O-N 3.14Å
653	A	93.9	Very high	93.7	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-36.7	177.4	0	0	0	0	0	111.5	H539 L604 T620 F650 A651 K656 A657	H539-A653 HydrophobicContact CB-CB 3.95Å; L604-A653 WeakPolarHBondContact CD2-O 3.43Å; T620-A653 HydrophobicContact CG2-CB 3.63Å; F650-A653 PolarHBondContact O-N 2.99Å; A651-A653 VanDerWaalsContact C-N 3.32Å; A651-A653 PolarHBondContact O-N 2.86Å; A653-K656 WeakPolarHBondContact O-CB 3.31Å; A653-K656 PolarHBondContact O-N 2.82Å; A653-A657 PolarHBondContact O-N 2.91Å
654	V	96.3	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-43.3	176.6	-179.5	0	0	0	0	111	L617 F650 A651 K656 A657 L658 L674	L617-V654 HydrophobicContact CD1-CG1 3.7Å; L617-V654 HydrophobicContact CD2-CG1 3.85Å; L617-V654 HydrophobicContact CG-CG1 3.94Å; F650-V654 PolarHBondContact O-N 2.99Å; A651-V654 PolarHBondContact O-N 3.15Å; A651-V654 VanDerWaalsContact O-N 3.08Å; V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 PolarHBondContact O-N 3.16Å; V654-A657 WeakPolarHBondContact O-CB 3.42Å; V654-A657 PolarHBondContact O-N 2.64Å; V654-L658 HydrophobicContact CG1-CD1 4.26Å; V654-L658 HydrophobicContact CG1-CG 4.44Å; V654-L658 WeakPolarHBondContact O-CG 3.36Å; V654-L658 PolarHBondContact O-N 3.14Å; V654-L674 HydrophobicContact CB-CD1 4.27Å; V654-L674 HydrophobicContact CG1-CD1 4.24Å; V654-L674 HydrophobicContact CG1-CD2 3.95Å
655	F	96.1	Very high	92.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-44.2	171.9	-82.8	-70.4	0	0	0	112.1	A651 A657 L658 R659 I660 V663 Q670 Q673 L674	A651-F655 HydrophobicContact CB-CD2 4.34Å; A651-F655 HydrophobicContact CB-CE2 4.24Å; A651-F655 WeakPolarHBondContact O-CD2 3.2Å; A651-F655 PolarHBondContact O-N 3.47Å; F655-A657 PolarHBondContact O-N 3.18Å; F655-L658 PolarHBondContact O-N 3.3Å; F655-R659 PolarHBondContact O-N 3.31Å; F655-R659 VanDerWaalsContact O-N 3.07Å; F655-I660 HydrophobicContact CD1-CB 3.91Å; F655-I660 HydrophobicContact CD1-CD1 4.26Å; F655-I660 HydrophobicContact CD1-CG2 3.81Å; F655-I660 HydrophobicContact CE1-CD1 4.46Å; F655-I660 HydrophobicContact CE1-CG2 4.04Å; F655-I660 PolarHBondContact O-N 3.01Å; F655-V663 HydrophobicContact CB-CG2 3.63Å; F655-V663 HydrophobicContact CD1-CG2 4.17Å; F655-V663 HydrophobicContact CD2-CB 4.48Å; F655-V663 HydrophobicContact CD2-CG1 3.66Å; F655-V663 HydrophobicContact CD2-CG2 4.11Å; F655-V663 HydrophobicContact CE2-CG1 3.91Å; F655-V663 HydrophobicContact CG-CG1 4.15Å; F655-V663 HydrophobicContact CG-CG2 3.73Å; F655-Q670 HydrophobicContact CE2-CB 3.77Å; F655-Q670 HydrophobicContact CE2-CG 3.8Å; F655-Q670 HydrophobicContact CZ-CB 4.28Å; F655-Q670 HydrophobicContact CZ-CG 4.41Å; F655-Q673 HydrophobicContact CE1-CB 4.41Å; F655-Q673 HydrophobicContact CE1-CG 4.08Å; F655-Q673 HydrophobicContact CZ-CB 4.18Å; F655-Q673 HydrophobicContact CZ-CG 4.35Å; F655-L674 HydrophobicContact CD1-CD2 3.9Å; F655-L674 HydrophobicContact CD2-CD1 4.12Å; F655-L674 HydrophobicContact CD2-CD2 4.17Å; F655-L674 HydrophobicContact CD2-CG 4.22Å; F655-L674 HydrophobicContact CE1-CD2 3.77Å; F655-L674 HydrophobicContact CE1-CG 4.06Å; F655-L674 HydrophobicContact CE2-CD1 3.78Å; F655-L674 HydrophobicContact CE2-CD2 4.02Å; F655-L674 HydrophobicContact CE2-CG 3.67Å; F655-L674 HydrophobicContact CG-CD2 4.1Å; F655-L674 HydrophobicContact CZ-CD1 4.24Å; F655-L674 HydrophobicContact CZ-CD2 3.83Å; F655-L674 HydrophobicContact CZ-CG 3.59Å
656	K	95.8	Very high	92.3	Very high	120 Å²	120	49.4 Å²	49.4	52%	0.522	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-44.9	176.2	-175.6	-177.8	173.5	-170.6	0	111.5	H539 L604 P652 A653 V654 R659	H539-K656 PolarHBondContact NE2-NZ 3.3Å; L604-K656 HydrophobicContact CD1-CD 3.81Å; L604-K656 HydrophobicContact CD1-CG 4.12Å; P652-K656 PolarHBondContact O-N 2.99Å; P652-K656 VanDerWaalsContact O-N 3.14Å; A653-K656 WeakPolarHBondContact O-CB 3.31Å; A653-K656 PolarHBondContact O-N 2.82Å; V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 PolarHBondContact O-N 3.16Å; K656-R659 PolarHBondContact O-N 3.49Å
657	A	97.1	Very high	91.8	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-44.8	176.2	0	0	0	0	0	112.4	L604 I607 Q608 A653 V654 F655 R659	L604-A657 HydrophobicContact CB-CB 4.17Å; L604-A657 HydrophobicContact CD2-CB 3.87Å; L604-A657 WeakPolarHBondContact O-CB 3.42Å; I607-A657 HydrophobicContact CB-CB 3.75Å; I607-A657 HydrophobicContact CD1-CB 4.09Å; I607-A657 HydrophobicContact CG2-CB 3.73Å; Q608-A657 WeakPolarHBondContact CB-O 3.03Å; A653-A657 PolarHBondContact O-N 2.91Å; V654-A657 WeakPolarHBondContact O-CB 3.42Å; V654-A657 PolarHBondContact O-N 2.64Å; F655-A657 PolarHBondContact O-N 3.18Å; A657-R659 PolarHBondContact O-N 3.2Å
658	L	96.1	Very high	91.5	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-72.6	-6.7	179.2	-63.2	-175.5	0	0	0	113.8	H611 L617 V654 F655 I660 L674	H611-L658 HydrophobicContact CB-CD2 3.97Å; H611-L658 WeakPolarHBondContact CD2-CD2 3.5Å; L617-L658 HydrophobicContact CD1-CD1 3.93Å; L617-L658 HydrophobicContact CD1-CD2 3.95Å; L617-L658 HydrophobicContact CD1-CG 4.21Å; L617-L658 HydrophobicContact CD2-CD1 4.34Å; V654-L658 HydrophobicContact CG1-CD1 4.26Å; V654-L658 HydrophobicContact CG1-CG 4.44Å; V654-L658 WeakPolarHBondContact O-CG 3.36Å; V654-L658 PolarHBondContact O-N 3.14Å; F655-L658 PolarHBondContact O-N 3.3Å; L658-I660 HydrophobicContact CB-CD1 3.82Å; L658-I660 HydrophobicContact CB-CG1 3.88Å; L658-I660 HydrophobicContact CD1-CD1 3.84Å; L658-I660 PolarHBondContact O-N 3.02Å; L658-L674 HydrophobicContact CD1-CD2 3.98Å
659	R	94.6	Very high	91.4	Very high	186 Å²	186	54.9 Å²	54.9	70%	0.702	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	28.6	-175.9	-50.2	-175.4	-170.3	-178.3	1.5	113.3	Q608 F655 K656 A657 Q661	Q608-R659 VanDerWaalsContact NE2-NE 3.13Å; Q608-R659 VanDerWaalsContact OE1-CZ 3.28Å; F655-R659 PolarHBondContact O-N 3.31Å; F655-R659 VanDerWaalsContact O-N 3.07Å; K656-R659 PolarHBondContact O-N 3.49Å; A657-R659 PolarHBondContact O-N 3.2Å; R659-Q661 PolarHBondContact O-N 3.35Å
660	I	90.6	Very high	91.4	Very high	49 Å²	49	55.9 Å²	55.9	25%	0.251	29%	0.285	S	S	.	.			trans	-77.4	120.1	175.2	-66.8	170.9	0	0	0	107.7	F655 L658	F655-I660 HydrophobicContact CD1-CB 3.91Å; F655-I660 HydrophobicContact CD1-CD1 4.26Å; F655-I660 HydrophobicContact CD1-CG2 3.81Å; F655-I660 HydrophobicContact CE1-CD1 4.46Å; F655-I660 HydrophobicContact CE1-CG2 4.04Å; F655-I660 PolarHBondContact O-N 3.01Å; L658-I660 HydrophobicContact CB-CD1 3.82Å; L658-I660 HydrophobicContact CB-CG1 3.88Å; L658-I660 HydrophobicContact CD1-CD1 3.84Å; L658-I660 PolarHBondContact O-N 3.02Å
661	Q	83.4	Confident	91.3	Very high	165 Å²	165	55.3 Å²	55.3	77%	0.771	28%	0.283	S	S	*	.	S	Bend	trans	-82.2	155	175.6	-60.1	-174.6	2	0	0	110.2	R659	R659-Q661 PolarHBondContact O-N 3.35Å
662	N	84.9	Confident	91.3	Very high	147 Å²	147	59.5 Å²	59.5	79%	0.786	30%	0.302	S	S	*	.	S	Bend	trans	64.7	68.6	-178.8	-51	-44.1	0	0	0	114.1	P664	N662-P664 WeakPolarHBondContact O-CD 3.38Å
663	V	89.1	Confident	91.4	Very high	63 Å²	63	59.1 Å²	59.1	38%	0.382	29%	0.294	S	S	.	.			trans	-67.7	123.3	172.8	-176.9	0	0	0	0	109.4	F655 Q670	F655-V663 HydrophobicContact CB-CG2 3.63Å; F655-V663 HydrophobicContact CD1-CG2 4.17Å; F655-V663 HydrophobicContact CD2-CB 4.48Å; F655-V663 HydrophobicContact CD2-CG1 3.66Å; F655-V663 HydrophobicContact CD2-CG2 4.11Å; F655-V663 HydrophobicContact CE2-CG1 3.91Å; F655-V663 HydrophobicContact CG-CG1 4.15Å; F655-V663 HydrophobicContact CG-CG2 3.73Å; V663-Q670 HydrophobicContact CG1-CG 4.04Å
664	P	88.8	Confident	91.4	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.123	29%	0.29	C	S	.	.			trans	-59.2	144.7	175.9	-23.3	33.1	0	0	0	111.5	N662 D666 E669 Q670 Q673	N662-P664 WeakPolarHBondContact O-CD 3.38Å; P664-D666 VanDerWaalsContact C-N 3.31Å; P664-E669 HydrophobicContact CB-CB 3.68Å; P664-E669 WeakPolarHBondContact CB-OE2 3.35Å; P664-E669 HydrophobicContact CG-CB 4.11Å; P664-Q670 HydrophobicContact CB-CG 4.31Å; P664-Q670 VanDerWaalsContact O-CG 3.28Å; P664-Q670 WeakPolarHBondContact O-CG 3.25Å; P664-Q670 PolarHBondContact O-NE2 2.82Å; P664-Q673 VanDerWaalsContact CG-OE1 3.24Å
665	P	85.6	Confident	91.2	Very high	125 Å²	125	59.8 Å²	59.8	81%	0.812	30%	0.302	S	S	*	.	S	Bend	trans	-73.2	-25.6	176.3	29.8	-34.1	0	0	0	112.4	P667	P665-P667 WeakPolarHBondContact O-CD 3.46Å
666	D	88.8	Confident	91	Very high	32 Å²	32	64 Å²	64	17%	0.171	34%	0.337	C	S	.	.	S	Bend	trans	-81.9	124.2	179.4	176.4	28.9	0	0	0	111.7	P664 V668 E669 Q670 R694	P664-D666 VanDerWaalsContact C-N 3.31Å; D666-V668 PolarHBondContact O-N 2.85Å; D666-V668 PolarHBondContact OD1-N 3.36Å; D666-V668 WeakPolarHBondContact OD2-CB 3.13Å; D666-E669 HydrophobicContact CB-CB 4.19Å; D666-E669 HydrophobicContact CB-CG 4.1Å; D666-E669 PolarHBondContact O-N 3.19Å; D666-E669 PolarHBondContact OD2-N 2.88Å; D666-Q670 WeakPolarHBondContact O-CG 3.43Å; D666-Q670 PolarHBondContact O-N 2.99Å; D666-R694 VanDerWaalsContact CG-NH2 3.35Å; D666-R694 IonicContact OD1-CZ 2.72Å; D666-R694 IonicContact OD1-NH2 3.88Å; D666-R694 PolarHBondContact OD1-NH2 3.07Å
667	P	88.1	Confident	90.8	Very high	5 Å²	5	60 Å²	60	3%	0.032	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-31.5	174.5	-26.9	34.7	0	0	0	114.8	E393 V394 L397 P665 Q670 L671 L691	E393-P667 HydrophobicContact CB-CG 3.97Å; E393-P667 HydrophobicContact CG-CG 3.54Å; V394-P667 HydrophobicContact CG2-CB 3.87Å; L397-P667 HydrophobicContact CD1-CB 4.48Å; L397-P667 HydrophobicContact CD1-CG 4.08Å; P665-P667 WeakPolarHBondContact O-CD 3.46Å; P667-Q670 WeakPolarHBondContact O-CB 3.09Å; P667-Q670 PolarHBondContact O-N 3.29Å; P667-L671 WeakPolarHBondContact O-CD1 3.35Å; P667-L671 PolarHBondContact O-N 3.46Å; P667-L691 HydrophobicContact CB-CD1 4.45Å; P667-L691 HydrophobicContact CB-CD2 4.34Å
668	V	89.1	Confident	90.6	Very high	13 Å²	13	60.5 Å²	60.5	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-50.8	178	-178.1	0	0	0	0	110.1	D666 Q670 L671 E672 M688 L691 R692	D666-V668 PolarHBondContact O-N 2.85Å; D666-V668 PolarHBondContact OD1-N 3.36Å; D666-V668 WeakPolarHBondContact OD2-CB 3.13Å; V668-Q670 VanDerWaalsContact C-N 3.27Å; V668-Q670 PolarHBondContact O-N 3.03Å; V668-L671 PolarHBondContact O-N 3.39Å; V668-L671 VanDerWaalsContact O-N 3.13Å; V668-E672 WeakPolarHBondContact O-CG 3.49Å; V668-E672 PolarHBondContact O-N 3.03Å; V668-M688 HydrophobicContact CG1-CE 3.86Å; V668-L691 HydrophobicContact CG2-CB 3.58Å; V668-R692 HydrophobicContact CG1-CG 3.98Å; V668-R692 HydrophobicContact CG2-CG 4.24Å
669	E	91.5	Very high	90.5	Very high	99 Å²	99	63.7 Å²	63.7	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-39.8	174.8	-69.2	176.3	-174.3	0	0	112	P664 D666 L671 E672 Q673	P664-E669 HydrophobicContact CB-CB 3.68Å; P664-E669 WeakPolarHBondContact CB-OE2 3.35Å; P664-E669 HydrophobicContact CG-CB 4.11Å; D666-E669 HydrophobicContact CB-CB 4.19Å; D666-E669 HydrophobicContact CB-CG 4.1Å; D666-E669 PolarHBondContact O-N 3.19Å; D666-E669 PolarHBondContact OD2-N 2.88Å; E669-L671 PolarHBondContact O-N 3.38Å; E669-E672 PolarHBondContact O-N 3.11Å; E669-Q673 WeakPolarHBondContact O-CB 3.4Å; E669-Q673 PolarHBondContact O-N 2.54Å
670	Q	92	Very high	90.4	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-48.6	173.8	-76.1	-179.6	7	0	0	112.2	A651 F655 V663 P664 D666 P667 V668 L674	A651-Q670 HydrophobicContact CB-CB 4.32Å; F655-Q670 HydrophobicContact CE2-CB 3.77Å; F655-Q670 HydrophobicContact CE2-CG 3.8Å; F655-Q670 HydrophobicContact CZ-CB 4.28Å; F655-Q670 HydrophobicContact CZ-CG 4.41Å; V663-Q670 HydrophobicContact CG1-CG 4.04Å; P664-Q670 HydrophobicContact CB-CG 4.31Å; P664-Q670 VanDerWaalsContact O-CG 3.28Å; P664-Q670 WeakPolarHBondContact O-CG 3.25Å; P664-Q670 PolarHBondContact O-NE2 2.82Å; D666-Q670 WeakPolarHBondContact O-CG 3.43Å; D666-Q670 PolarHBondContact O-N 2.99Å; P667-Q670 WeakPolarHBondContact O-CB 3.09Å; P667-Q670 PolarHBondContact O-N 3.29Å; V668-Q670 VanDerWaalsContact C-N 3.27Å; V668-Q670 PolarHBondContact O-N 3.03Å; Q670-L674 WeakPolarHBondContact O-CB 3.43Å; Q670-L674 WeakPolarHBondContact O-CG 3.42Å; Q670-L674 PolarHBondContact O-N 3.02Å
671	L	91	Very high	90.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-37.4	179.8	-91.2	77.2	0	0	0	112.2	V394 P667 V668 E669 G675 M687 M688 L691	V394-L671 HydrophobicContact CG2-CD1 3.97Å; P667-L671 WeakPolarHBondContact O-CD1 3.35Å; P667-L671 PolarHBondContact O-N 3.46Å; V668-L671 PolarHBondContact O-N 3.39Å; V668-L671 VanDerWaalsContact O-N 3.13Å; E669-L671 PolarHBondContact O-N 3.38Å; L671-G675 PolarHBondContact O-N 3.3Å; L671-M687 HydrophobicContact CD2-CE 3.41Å; L671-M687 VanDerWaalsContact CD2-CE 3.41Å; L671-M687 HydrophobicContact CD2-CG 4.03Å; L671-M687 HydrophobicContact CD2-SD 4.12Å; L671-M687 HydrophobicContact CG-CE 4.4Å; L671-M688 HydrophobicContact CB-SD 3.45Å; L671-M688 WeakPolarHBondContact CB-SD 3.36Å; L671-M688 HydrophobicContact CD2-CG 4.13Å; L671-M688 HydrophobicContact CD2-SD 3.64Å; L671-M688 HydrophobicContact CG-SD 4.2Å; L671-L691 HydrophobicContact CD1-CD1 3.99Å; L671-L691 HydrophobicContact CD2-CD1 3.79Å; L671-L691 HydrophobicContact CG-CD1 4.49Å
672	E	92.2	Very high	91	Very high	88 Å²	88	53.3 Å²	53.3	41%	0.411	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-45.2	176.5	-71	179.4	172.2	0	0	111.2	V668 E669 G675 A676 M688 R692	V668-E672 WeakPolarHBondContact O-CG 3.49Å; V668-E672 PolarHBondContact O-N 3.03Å; E669-E672 PolarHBondContact O-N 3.11Å; E672-G675 PolarHBondContact O-N 2.94Å; E672-A676 WeakPolarHBondContact O-CB 3.31Å; E672-A676 PolarHBondContact O-N 2.87Å; E672-M688 HydrophobicContact CG-CE 3.46Å; E672-M688 VanDerWaalsContact CG-CE 3.46Å; E672-R692 IonicContact OE1-CZ 2.73Å; E672-R692 IonicContact OE1-NE 2.77Å; E672-R692 IonicContact OE1-NH2 3.11Å; E672-R692 PolarHBondContact OE1-NH2 3.27Å
673	Q	94.3	Very high	91.2	Very high	71 Å²	71	48.3 Å²	48.3	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-43.3	178.3	-173	177.6	-0	0	0	112.2	F655 P664 E669 G675 A676 A677	F655-Q673 HydrophobicContact CE1-CB 4.41Å; F655-Q673 HydrophobicContact CE1-CG 4.08Å; F655-Q673 HydrophobicContact CZ-CB 4.18Å; F655-Q673 HydrophobicContact CZ-CG 4.35Å; P664-Q673 VanDerWaalsContact CG-OE1 3.24Å; E669-Q673 WeakPolarHBondContact O-CB 3.4Å; E669-Q673 PolarHBondContact O-N 2.54Å; Q673-G675 VanDerWaalsContact C-N 3.35Å; Q673-A676 PolarHBondContact O-N 3.19Å; Q673-A677 PolarHBondContact O-N 3.13Å; Q673-A677 VanDerWaalsContact O-N 3.12Å
674	L	93.9	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-37.4	174.7	-70	178.2	0	0	0	111.9	L617 Y647 A651 V654 F655 L658 Q670 A676 A677 A678	L617-L674 HydrophobicContact CD2-CB 4.41Å; L617-L674 HydrophobicContact CD2-CD2 4.46Å; Y647-L674 HydrophobicContact CD2-CB 4.05Å; Y647-L674 HydrophobicContact CD2-CD1 4.1Å; Y647-L674 HydrophobicContact CE2-CB 3.6Å; Y647-L674 HydrophobicContact CE2-CD1 4.41Å; A651-L674 HydrophobicContact CB-CD1 3.52Å; V654-L674 HydrophobicContact CB-CD1 4.27Å; V654-L674 HydrophobicContact CG1-CD1 4.24Å; V654-L674 HydrophobicContact CG1-CD2 3.95Å; F655-L674 HydrophobicContact CD1-CD2 3.9Å; F655-L674 HydrophobicContact CD2-CD1 4.12Å; F655-L674 HydrophobicContact CD2-CD2 4.17Å; F655-L674 HydrophobicContact CD2-CG 4.22Å; F655-L674 HydrophobicContact CE1-CD2 3.77Å; F655-L674 HydrophobicContact CE1-CG 4.06Å; F655-L674 HydrophobicContact CE2-CD1 3.78Å; F655-L674 HydrophobicContact CE2-CD2 4.02Å; F655-L674 HydrophobicContact CE2-CG 3.67Å; F655-L674 HydrophobicContact CG-CD2 4.1Å; F655-L674 HydrophobicContact CZ-CD1 4.24Å; F655-L674 HydrophobicContact CZ-CD2 3.83Å; F655-L674 HydrophobicContact CZ-CG 3.59Å; L658-L674 HydrophobicContact CD1-CD2 3.98Å; Q670-L674 WeakPolarHBondContact O-CB 3.43Å; Q670-L674 WeakPolarHBondContact O-CG 3.42Å; Q670-L674 PolarHBondContact O-N 3.02Å; L674-A676 VanDerWaalsContact C-N 3.32Å; L674-A677 PolarHBondContact O-N 3.31Å; L674-A678 WeakPolarHBondContact O-CB 3.2Å; L674-A678 PolarHBondContact O-N 3.16Å
675	G	92.7	Very high	91.5	Very high	23 Å²	23	47 Å²	47	24%	0.237	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-33.8	174.5	0	0	0	0	0	113.3	Y647 L671 E672 Q673 A677	Y647-G675 WeakPolarHBondContact OH-CA 3.03Å; L671-G675 PolarHBondContact O-N 3.3Å; E672-G675 PolarHBondContact O-N 2.94Å; Q673-G675 VanDerWaalsContact C-N 3.35Å; G675-A677 VanDerWaalsContact C-N 3.33Å
676	A	92.4	Very high	91.5	Very high	89 Å²	89	43.3 Å²	43.3	74%	0.736	28%	0.28	S	S	*	.	H	α-helix	trans	-72.3	-27.3	173.2	0	0	0	0	0	112.8	E672 Q673 L674	E672-A676 WeakPolarHBondContact O-CB 3.31Å; E672-A676 PolarHBondContact O-N 2.87Å; Q673-A676 PolarHBondContact O-N 3.19Å; L674-A676 VanDerWaalsContact C-N 3.32Å
677	A	91.3	Very high	91.6	Very high	35 Å²	35	41.8 Å²	41.8	29%	0.289	27%	0.272	S	S	.	.	H	α-helix	trans	-79.3	-38	175.3	0	0	0	0	0	112.3	H611 Q673 L674 G675	H611-A677 PolarHBondContact CE1-O 3.27Å; Q673-A677 PolarHBondContact O-N 3.13Å; Q673-A677 VanDerWaalsContact O-N 3.12Å; L674-A677 PolarHBondContact O-N 3.31Å; G675-A677 VanDerWaalsContact C-N 3.33Å
678	A	92.6	Very high	91.6	Very high	15 Å²	15	42.4 Å²	42.4	12%	0.124	28%	0.275	C	S	.	.			trans	-73.9	134.2	-177	0	0	0	0	0	112.6	L617 Y647 L674	L617-A678 HydrophobicContact CB-CB 3.8Å; L617-A678 HydrophobicContact CD2-CB 3.96Å; Y647-A678 HydrophobicContact CE1-CB 4.26Å; L674-A678 WeakPolarHBondContact O-CB 3.2Å; L674-A678 PolarHBondContact O-N 3.16Å
679	S	93.1	Very high	91.5	Very high	91 Å²	91	47 Å²	47	64%	0.636	29%	0.291	S	S	*	.	S	Bend	trans	-79.4	-41.7	165.1	-59.3	0	0	0	0	110.7	G615	G615-S679 PolarHBondContact O-N 2.87Å
680	E	92.7	Very high	91	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-149.6	157.8	171.5	-69.8	-165.6	-161.7	0	0	110.2	K310 Y616 L617	K310-E680 IonicContact NZ-OE2 3.96Å; K310-E680 PolarHBondContact NZ-OE2 3.48Å; Y616-E680 CarbonylContact C-O 3.6Å; Y616-E680 VanDerWaalsContact CA-O 3.24Å; Y616-E680 WeakPolarHBondContact CA-O 2.81Å; Y616-E680 HydrophobicContact CD2-CB 3.93Å; Y616-E680 HydrophobicContact CE2-CB 4.37Å; L617-E680 PolarHBondContact N-O 2.83Å
681	P	93.7	Very high	90.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.032	27%	0.272	C	S	.	.	S	Bend	cis	-68	161	-16.9	31.7	-34.6	0	0	0	110.9	F322 L617 Y647	F322-P681 HydrophobicContact CE2-CB 4.01Å; F322-P681 HydrophobicContact CE2-CG 3.96Å; F322-P681 HydrophobicContact CZ-CB 3.97Å; F322-P681 HydrophobicContact CZ-CG 3.69Å; L617-P681 WeakPolarHBondContact O-CD 3.16Å; Y647-P681 HydrophobicContact CD1-CG 4.03Å; Y647-P681 HydrophobicContact CE1-CG 3.93Å; Y647-P681 WeakPolarHBondContact CE1-O 3.03Å
682	A	92.4	Very high	90.3	Very high	85 Å²	85	50.5 Å²	50.5	70%	0.702	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-66.7	157.2	173.7	0	0	0	0	0	111.4	H646 H684	H646-A682 PolarHBondContact NE2-O 3.05Å; H646-A682 VanDerWaalsContact NE2-O 3.12Å; A682-H684 PolarHBondContact O-N 3.24Å
683	A	90.9	Very high	89.5	Confident	41 Å²	41	52.2 Å²	52.2	34%	0.339	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56	133.2	176.4	0	0	0	0	0	111.9	G685	A683-G685 PolarHBondContact O-N 3.37Å
684	H	93	Very high	88.1	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.028	32%	0.32	C	S	.	.			trans	-67.9	106.4	-175.4	-165.4	-74.4	0	0	0	112.9	F322 G324 A327 H646 A682 E686 M687 M688	F322-H684 PolarHBondContact O-CD2 2.92Å; F322-H684 PolarHBondContact O-NE2 3.45Å; F322-H684 VanDerWaalsContact O-NE2 3.1Å; G324-H684 PolarHBondContact O-CE1 3.31Å; G324-H684 PolarHBondContact O-NE2 3.01Å; A327-H684 HydrophobicContact CB-CB 4.4Å; H646-H684 PolarHBondContact NE2-N 2.91Å; A682-H684 PolarHBondContact O-N 3.24Å; H684-E686 PolarHBondContact O-N 3.03Å; H684-M687 HydrophobicContact CB-CB 4.02Å; H684-M687 HydrophobicContact CB-CE 3.64Å; H684-M687 PolarHBondContact ND1-N 3.07Å; H684-M687 WeakPolarHBondContact O-CB 3.49Å; H684-M687 PolarHBondContact O-N 3.38Å; H684-M687 VanDerWaalsContact O-N 3.13Å; H684-M688 PolarHBondContact O-N 3.17Å
685	G	89.3	Confident	86	Confident	50 Å²	50	59.2 Å²	59.2	52%	0.515	35%	0.348	S	S	.	.	H	α-helix	trans	-57	-46.3	-171.6	0	0	0	0	0	115.2	A683 M687 M688 R689	A683-G685 PolarHBondContact O-N 3.37Å; G685-M687 VanDerWaalsContact C-N 3.31Å; G685-M687 PolarHBondContact O-N 3.31Å; G685-M688 WeakPolarHBondContact O-CB 3.31Å; G685-M688 PolarHBondContact O-N 3.16Å; G685-R689 WeakPolarHBondContact O-CB 3.4Å; G685-R689 PolarHBondContact O-N 3.23Å
686	E	87.6	Confident	83.8	Confident	47 Å²	47	61.4 Å²	61.4	22%	0.22	37%	0.371	C	S	.	.	H	α-helix	trans	-66.7	-33.7	179.3	174.2	59.7	-168.2	0	0	112.3	P325 H684 R689 R690	P325-E686 HydrophobicContact CB-CG 4.44Å; H684-E686 PolarHBondContact O-N 3.03Å; E686-R689 PolarHBondContact O-N 3.01Å; E686-R689 IonicContact OE1-CZ 2.67Å; E686-R689 IonicContact OE1-NE 3.59Å; E686-R689 IonicContact OE1-NH2 2.93Å; E686-R689 PolarHBondContact OE1-NH2 3.38Å; E686-R689 IonicContact OE2-CZ 3.96Å; E686-R689 VanDerWaalsContact OE2-CZ 3.25Å; E686-R689 IonicContact OE2-NE 3.14Å; E686-R689 PolarHBondContact OE2-NE 3.16Å; E686-R689 IonicContact OE2-NH2 3.28Å; E686-R689 PolarHBondContact OE2-NH2 3.3Å; E686-R690 WeakPolarHBondContact O-CG 3.46Å; E686-R690 PolarHBondContact O-N 3.46Å; E686-R690 IonicContact OE1-CZ 2.94Å; E686-R690 IonicContact OE1-NE 2.81Å; E686-R690 PolarHBondContact OE1-NE 3.38Å; E686-R690 IonicContact OE1-NH2 3.76Å; E686-R690 PolarHBondContact OE1-NH2 3.01Å
687	M	89.1	Confident	81.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-69.7	-46.5	177.6	178.4	170.2	57.7	0	0	109.1	A327 V394 K649 L671 H684 G685 R689 R690 L691	A327-M687 HydrophobicContact CB-CE 4.27Å; A327-M687 HydrophobicContact CB-SD 4.12Å; V394-M687 HydrophobicContact CG1-CG 4.12Å; V394-M687 HydrophobicContact CG1-SD 3.6Å; V394-M687 VanDerWaalsContact CG1-SD 3.6Å; K649-M687 HydrophobicContact CG-SD 4.01Å; L671-M687 HydrophobicContact CD2-CE 3.41Å; L671-M687 VanDerWaalsContact CD2-CE 3.41Å; L671-M687 HydrophobicContact CD2-CG 4.03Å; L671-M687 HydrophobicContact CD2-SD 4.12Å; L671-M687 HydrophobicContact CG-CE 4.4Å; H684-M687 HydrophobicContact CB-CB 4.02Å; H684-M687 HydrophobicContact CB-CE 3.64Å; H684-M687 PolarHBondContact ND1-N 3.07Å; H684-M687 WeakPolarHBondContact O-CB 3.49Å; H684-M687 PolarHBondContact O-N 3.38Å; H684-M687 VanDerWaalsContact O-N 3.13Å; G685-M687 VanDerWaalsContact C-N 3.31Å; G685-M687 PolarHBondContact O-N 3.31Å; M687-R689 VanDerWaalsContact C-N 3.34Å; M687-R689 PolarHBondContact O-N 3.01Å; M687-R690 PolarHBondContact O-N 2.96Å; M687-L691 HydrophobicContact CG-CD1 4.08Å; M687-L691 VanDerWaalsContact O-CG 3.26Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 3.38Å
688	M	88.3	Confident	79.8	Confident	17 Å²	17	63.2 Å²	63.2	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-45.8	172.6	-76.6	-63.9	-71.9	0	0	112.6	V668 L671 E672 H684 G685 R690 L691 R692	V668-M688 HydrophobicContact CG1-CE 3.86Å; L671-M688 HydrophobicContact CB-SD 3.45Å; L671-M688 WeakPolarHBondContact CB-SD 3.36Å; L671-M688 HydrophobicContact CD2-CG 4.13Å; L671-M688 HydrophobicContact CD2-SD 3.64Å; L671-M688 HydrophobicContact CG-SD 4.2Å; E672-M688 HydrophobicContact CG-CE 3.46Å; E672-M688 VanDerWaalsContact CG-CE 3.46Å; H684-M688 PolarHBondContact O-N 3.17Å; G685-M688 WeakPolarHBondContact O-CB 3.31Å; G685-M688 PolarHBondContact O-N 3.16Å; M688-R690 PolarHBondContact O-N 3.35Å; M688-L691 PolarHBondContact O-N 2.81Å; M688-R692 WeakPolarHBondContact O-CG 3.23Å; M688-R692 PolarHBondContact O-N 2.95Å
689	R	87.1	Confident	78.1	Confident	111 Å²	111	69.8 Å²	69.8	42%	0.419	41%	0.406	S	S	.	.	H	α-helix	trans	-58.7	-47.6	178	-171.9	-175.9	70.1	85.4	-3.8	111.5	G685 E686 M687 R692 Q693	G685-R689 WeakPolarHBondContact O-CB 3.4Å; G685-R689 PolarHBondContact O-N 3.23Å; E686-R689 PolarHBondContact O-N 3.01Å; E686-R689 IonicContact OE1-CZ 2.67Å; E686-R689 IonicContact OE1-NE 3.59Å; E686-R689 IonicContact OE1-NH2 2.93Å; E686-R689 PolarHBondContact OE1-NH2 3.38Å; E686-R689 IonicContact OE2-CZ 3.96Å; E686-R689 VanDerWaalsContact OE2-CZ 3.25Å; E686-R689 IonicContact OE2-NE 3.14Å; E686-R689 PolarHBondContact OE2-NE 3.16Å; E686-R689 IonicContact OE2-NH2 3.28Å; E686-R689 PolarHBondContact OE2-NH2 3.3Å; M687-R689 VanDerWaalsContact C-N 3.34Å; M687-R689 PolarHBondContact O-N 3.01Å; R689-R692 PolarHBondContact O-N 3.5Å; R689-Q693 VanDerWaalsContact NH1-NE2 3.1Å; R689-Q693 WeakPolarHBondContact O-CG 3.46Å; R689-Q693 PolarHBondContact O-N 3.34Å; R689-Q693 VanDerWaalsContact O-N 3.13Å
690	R	81.3	Confident	77.1	Confident	39 Å²	39	75.8 Å²	75.8	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-65.1	-43	179.2	-72.6	-174.3	-175.2	-153	9.7	112.7	S367 E686 M687 M688 R692 Q693	S367-R690 PolarHBondContact OG-NH2 3.31Å; E686-R690 WeakPolarHBondContact O-CG 3.46Å; E686-R690 PolarHBondContact O-N 3.46Å; E686-R690 IonicContact OE1-CZ 2.94Å; E686-R690 IonicContact OE1-NE 2.81Å; E686-R690 PolarHBondContact OE1-NE 3.38Å; E686-R690 IonicContact OE1-NH2 3.76Å; E686-R690 PolarHBondContact OE1-NH2 3.01Å; M687-R690 PolarHBondContact O-N 2.96Å; M688-R690 PolarHBondContact O-N 3.35Å; R690-R692 VanDerWaalsContact C-N 3.27Å; R690-R692 PolarHBondContact O-N 2.9Å; R690-Q693 PolarHBondContact O-N 2.87Å
691	L	82.6	Confident	76.7	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-34.9	178	-66.9	171.7	0	0	0	111.9	V394 L397 P667 V668 L671 M687 M688 R694	V394-L691 HydrophobicContact CG1-CD1 4.42Å; V394-L691 HydrophobicContact CG1-CD2 4.44Å; V394-L691 HydrophobicContact CG2-CD1 4.41Å; L397-L691 HydrophobicContact CB-CD2 3.73Å; L397-L691 HydrophobicContact CD1-CD2 3.45Å; L397-L691 VanDerWaalsContact CD1-CD2 3.45Å; L397-L691 HydrophobicContact CG-CD2 4.24Å; P667-L691 HydrophobicContact CB-CD1 4.45Å; P667-L691 HydrophobicContact CB-CD2 4.34Å; V668-L691 HydrophobicContact CG2-CB 3.58Å; L671-L691 HydrophobicContact CD1-CD1 3.99Å; L671-L691 HydrophobicContact CD2-CD1 3.79Å; L671-L691 HydrophobicContact CG-CD1 4.49Å; M687-L691 HydrophobicContact CG-CD1 4.08Å; M687-L691 VanDerWaalsContact O-CG 3.26Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 3.38Å; M688-L691 PolarHBondContact O-N 2.81Å; L691-R694 WeakPolarHBondContact O-CG 3.45Å
692	R	85.1	Confident	76.5	Confident	152 Å²	152	73.5 Å²	73.5	57%	0.574	41%	0.407	S	S	*	.	H	α-helix	trans	-73.6	-31.4	176.3	-73.1	176.6	179.3	169.3	-0.7	113.8	V668 E672 M688 R689 R690 R694	V668-R692 HydrophobicContact CG1-CG 3.98Å; V668-R692 HydrophobicContact CG2-CG 4.24Å; E672-R692 IonicContact OE1-CZ 2.73Å; E672-R692 IonicContact OE1-NE 2.77Å; E672-R692 IonicContact OE1-NH2 3.11Å; E672-R692 PolarHBondContact OE1-NH2 3.27Å; M688-R692 WeakPolarHBondContact O-CG 3.23Å; M688-R692 PolarHBondContact O-N 2.95Å; R689-R692 PolarHBondContact O-N 3.5Å; R690-R692 VanDerWaalsContact C-N 3.27Å; R690-R692 PolarHBondContact O-N 2.9Å; R692-R694 PolarHBondContact O-N 3.12Å
693	Q	77	Confident	76.4	Confident	125 Å²	125	74.5 Å²	74.5	58%	0.584	40%	0.397	S	S	*	.	S	Bend	trans	-74.6	32.2	-178.1	-74.4	-178.6	-11.4	0	0	113.8	R689 R690 G695	R689-Q693 VanDerWaalsContact NH1-NE2 3.1Å; R689-Q693 WeakPolarHBondContact O-CG 3.46Å; R689-Q693 PolarHBondContact O-N 3.34Å; R689-Q693 VanDerWaalsContact O-N 3.13Å; R690-Q693 PolarHBondContact O-N 2.87Å; Q693-G695 PolarHBondContact O-N 3.48Å
694	R	63.7	Low	76.5	Confident	160 Å²	160	74.5 Å²	74.5	60%	0.604	40%	0.397	S	S	*	.			trans	-44.6	101.2	-177	-70.4	-176.7	174.5	-163.2	-3.5	112	D666 L691 R692 G696	D666-R694 VanDerWaalsContact CG-NH2 3.35Å; D666-R694 IonicContact OD1-CZ 2.72Å; D666-R694 IonicContact OD1-NH2 3.88Å; D666-R694 PolarHBondContact OD1-NH2 3.07Å; L691-R694 WeakPolarHBondContact O-CG 3.45Å; R692-R694 PolarHBondContact O-N 3.12Å; R694-G696 PolarHBondContact O-N 3.42Å
695	G	51.1	Low	76.5	Confident	57 Å²	57	77.6 Å²	77.6	59%	0.588	41%	0.414	S	S	*	.			trans	-78.9	112.7	166.2	0	0	0	0	0	109.1	Q693	Q693-G695 PolarHBondContact O-N 3.48Å
696	G	45	Very low	76.7	Confident	70 Å²	70	76.8 Å²	76.8	72%	0.722	40%	0.395	S	S	*	.	S	Bend	trans	-57.2	158	176.9	0	0	0	0	0	113.6	R694	R694-G696 PolarHBondContact O-N 3.42Å
697	S	46.6	Very low	77	Confident	107 Å²	107	77.5 Å²	77.5	75%	0.748	41%	0.406	S	S	*	.			trans	70.1	81.9	177.5	171.3	0	0	0	0	115.3	R403	R403-S697 PolarHBondContact NH1-O 3.19Å
698	G	53.3	Low	77.2	Confident	54 Å²	54	79.2 Å²	79.2	56%	0.557	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-59.3	135.8	165.3	0	0	0	0	0	111.3	R700	G698-R700 PolarHBondContact O-N 3.49Å
699	R	57.9	Low	77.5	Confident	154 Å²	154	78.4 Å²	78.4	58%	0.581	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-55.2	135.6	162.1	-96.6	-176.5	176.8	-179.4	-0.6	107.1	A701 E712	R699-A701 PolarHBondContact O-N 3.4Å; R699-E712 IonicContact NH1-OE1 2.8Å; R699-E712 PolarHBondContact NH1-OE1 2.9Å; R699-E712 IonicContact NH1-OE2 2.71Å
700	R	71.2	Confident	77.8	Confident	217 Å²	217	74.1 Å²	74.1	82%	0.819	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-56.6	132.7	175.2	-174.2	177.2	179.9	179.4	-0.8	108.5	G698 L702	G698-R700 PolarHBondContact O-N 3.49Å; R700-L702 PolarHBondContact O-N 3.42Å
701	A	84	Confident	78.4	Confident	16 Å²	16	78.1 Å²	78.1	13%	0.132	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-50.7	135.3	174.5	0	0	0	0	0	110.4	E388 S411 L413 R699	E388-A701 HydrophobicContact CB-CB 4.2Å; E388-A701 HydrophobicContact CG-CB 4.02Å; E388-A701 WeakPolarHBondContact OE2-CB 3.38Å; S411-A701 WeakPolarHBondContact OG-CA 3.34Å; S411-A701 WeakPolarHBondContact OG-CB 3.41Å; L413-A701 HydrophobicContact CD1-CB 4.35Å; L413-A701 HydrophobicContact CD2-CB 3.64Å; L413-A701 HydrophobicContact CG-CB 3.67Å; R699-A701 PolarHBondContact O-N 3.4Å
702	L	89.7	Confident	78.9	Confident	32 Å²	32	79 Å²	79	17%	0.168	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-69.2	147.2	179.9	-67	-173.1	0	0	0	110.4	V410 S411 L413 R700 V708 E712	V410-L702 HydrophobicContact CG1-CD1 3.29Å; V410-L702 HydrophobicContact CG1-CG 3.58Å; S411-L702 PolarHBondContact O-N 3.49Å; L413-L702 WeakPolarHBondContact CB-O 3.43Å; L413-L702 WeakPolarHBondContact CG-O 3.48Å; L413-L702 PolarHBondContact N-O 3.47Å; R700-L702 PolarHBondContact O-N 3.42Å; L702-V708 HydrophobicContact CB-CG1 4.18Å; L702-V708 HydrophobicContact CD1-CG1 4.12Å; L702-V708 HydrophobicContact CD2-CG1 3.99Å; L702-V708 HydrophobicContact CG-CG1 4.33Å; L702-E712 HydrophobicContact CD1-CB 4.06Å; L702-E712 HydrophobicContact CD1-CG 4.17Å
703	Q	91.7	Very high	79.3	Confident	107 Å²	107	71.9 Å²	71.9	50%	0.5	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.5	148	168.4	-68.3	-60.5	-37.4	0	0	109.7	D705	Q703-D705 PolarHBondContact O-N 3.35Å
704	A	91.4	Very high	80	Confident	40 Å²	40	68.5 Å²	68.5	33%	0.331	38%	0.38	S	S	.	.	S	Bend	trans	-74.1	60.8	177.4	0	0	0	0	0	111.5	V412 F418	V412-A704 HydrophobicContact CG1-CB 4.44Å; F418-A704 HydrophobicContact CE1-CB 4.2Å; F418-A704 HydrophobicContact CE2-CB 4.42Å; F418-A704 HydrophobicContact CZ-CB 4.15Å; F418-A704 WeakPolarHBondContact CZ-O 3.46Å
705	D	94	Very high	81.3	Confident	72 Å²	72	62.3 Å²	62.3	39%	0.385	36%	0.362	S	S	.	.			trans	-125.6	131.9	-178.3	-173	-76.5	0	0	0	110.4	Q703 S707 V708 L709	Q703-D705 PolarHBondContact O-N 3.35Å; D705-S707 VanDerWaalsContact C-N 3.34Å; D705-S707 PolarHBondContact O-N 2.94Å; D705-S707 WeakPolarHBondContact OD1-CA 3.37Å; D705-S707 WeakPolarHBondContact OD1-CB 3.5Å; D705-S707 PolarHBondContact OD1-N 3Å; D705-S707 PolarHBondContact OD1-OG 2.99Å; D705-V708 HydrophobicContact CB-CB 4.21Å; D705-V708 HydrophobicContact CB-CG2 3.85Å; D705-V708 PolarHBondContact O-N 3.33Å; D705-V708 PolarHBondContact OD1-N 3.27Å; D705-L709 WeakPolarHBondContact O-CD1 3.22Å; D705-L709 PolarHBondContact O-N 3.43Å
706	Y	92.9	Very high	83.2	Confident	32 Å²	32	59.6 Å²	59.6	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-40.8	-177.1	178.8	-104.1	0	0	0	112.7	R425 M426 E429 V708 L709 V710	R425-Y706 HydrophobicContact CB-CE2 3.88Å; R425-Y706 HydrophobicContact CG-CE2 3.76Å; R425-Y706 VanDerWaalsContact CZ-CD1 3.48Å; M426-Y706 WeakPolarHBondContact CA-OH 3.26Å; M426-Y706 HydrophobicContact CE-CE2 4.35Å; M426-Y706 HydrophobicContact CG-CE2 3.79Å; M426-Y706 WeakPolarHBondContact CG-OH 3.42Å; M426-Y706 PolarHBondContact N-OH 3.36Å; E429-Y706 WeakPolarHBondContact OE2-CE1 3.45Å; E429-Y706 PolarHBondContact OE2-OH 3.19Å; Y706-V708 VanDerWaalsContact C-N 3.34Å; Y706-V708 PolarHBondContact O-N 3.31Å; Y706-L709 PolarHBondContact O-N 3.15Å; Y706-V710 HydrophobicContact CD1-CG2 4.23Å; Y706-V710 HydrophobicContact CE1-CG2 3.78Å; Y706-V710 HydrophobicContact CE2-CG2 4.28Å; Y706-V710 WeakPolarHBondContact O-CG2 3.35Å; Y706-V710 PolarHBondContact O-N 3.12Å
707	S	93.7	Very high	85.2	Confident	62 Å²	62	56.3 Å²	56.3	43%	0.434	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-39.6	-179.7	65.5	0	0	0	0	111.6	D705 L709 V710 E711	D705-S707 VanDerWaalsContact C-N 3.34Å; D705-S707 PolarHBondContact O-N 2.94Å; D705-S707 WeakPolarHBondContact OD1-CA 3.37Å; D705-S707 WeakPolarHBondContact OD1-CB 3.5Å; D705-S707 PolarHBondContact OD1-N 3Å; D705-S707 PolarHBondContact OD1-OG 2.99Å; S707-L709 VanDerWaalsContact C-N 3.31Å; S707-L709 PolarHBondContact O-N 3.45Å; S707-V710 PolarHBondContact O-N 2.9Å; S707-V710 VanDerWaalsContact O-N 3.12Å; S707-E711 WeakPolarHBondContact O-CG 3.41Å; S707-E711 PolarHBondContact O-N 3.42Å
708	V	94.2	Very high	87.1	Confident	37 Å²	37	55.7 Å²	55.7	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-38.1	175.6	177.6	0	0	0	0	111.6	L702 D705 Y706 E712	L702-V708 HydrophobicContact CB-CG1 4.18Å; L702-V708 HydrophobicContact CD1-CG1 4.12Å; L702-V708 HydrophobicContact CD2-CG1 3.99Å; L702-V708 HydrophobicContact CG-CG1 4.33Å; D705-V708 HydrophobicContact CB-CB 4.21Å; D705-V708 HydrophobicContact CB-CG2 3.85Å; D705-V708 PolarHBondContact O-N 3.33Å; D705-V708 PolarHBondContact OD1-N 3.27Å; Y706-V708 VanDerWaalsContact C-N 3.34Å; Y706-V708 PolarHBondContact O-N 3.31Å; V708-E712 PolarHBondContact O-N 3.34Å; V708-E712 VanDerWaalsContact O-N 3.15Å
709	L	93.9	Very high	88.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-36.4	174.8	-92.2	65.1	0	0	0	112.1	F385 V412 F418 M426 D705 Y706 S707 E712 V713	F385-L709 HydrophobicContact CD1-CD2 4.49Å; F385-L709 HydrophobicContact CD1-CG 4.24Å; F385-L709 HydrophobicContact CD2-CD2 4.29Å; F385-L709 HydrophobicContact CE1-CG 3.92Å; F385-L709 HydrophobicContact CE2-CB 4.5Å; F385-L709 HydrophobicContact CE2-CD2 4.34Å; F385-L709 HydrophobicContact CE2-CG 4.31Å; F385-L709 HydrophobicContact CG-CD2 4.38Å; F385-L709 HydrophobicContact CZ-CB 4.12Å; F385-L709 HydrophobicContact CZ-CD2 4.47Å; F385-L709 HydrophobicContact CZ-CG 3.95Å; V412-L709 HydrophobicContact CG1-CD1 4.28Å; V412-L709 HydrophobicContact CG2-CD1 4.23Å; F418-L709 HydrophobicContact CE1-CD1 4.27Å; F418-L709 HydrophobicContact CE1-CD2 3.95Å; M426-L709 HydrophobicContact CE-CB 3.68Å; D705-L709 WeakPolarHBondContact O-CD1 3.22Å; D705-L709 PolarHBondContact O-N 3.43Å; Y706-L709 PolarHBondContact O-N 3.15Å; S707-L709 VanDerWaalsContact C-N 3.31Å; S707-L709 PolarHBondContact O-N 3.45Å; L709-E712 PolarHBondContact O-N 2.98Å; L709-V713 WeakPolarHBondContact O-CG2 3.27Å; L709-V713 PolarHBondContact O-N 3.06Å; L709-V713 VanDerWaalsContact O-N 3.12Å
710	V	93.9	Very high	89.8	Confident	21 Å²	21	48.4 Å²	48.4	13%	0.127	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-42	175	173.8	0	0	0	0	111.2	M426 L432 Y706 S707 E712 V713 E714	M426-V710 HydrophobicContact CE-CG2 3.76Å; M426-V710 HydrophobicContact CG-CG2 4.37Å; L432-V710 HydrophobicContact CD1-CG1 3.82Å; L432-V710 HydrophobicContact CD2-CG1 4.35Å; L432-V710 HydrophobicContact CD2-CG2 4.16Å; Y706-V710 HydrophobicContact CD1-CG2 4.23Å; Y706-V710 HydrophobicContact CE1-CG2 3.78Å; Y706-V710 HydrophobicContact CE2-CG2 4.28Å; Y706-V710 WeakPolarHBondContact O-CG2 3.35Å; Y706-V710 PolarHBondContact O-N 3.12Å; S707-V710 PolarHBondContact O-N 2.9Å; S707-V710 VanDerWaalsContact O-N 3.12Å; V710-E712 VanDerWaalsContact C-N 3.27Å; V710-E712 PolarHBondContact O-N 3Å; V710-V713 WeakPolarHBondContact O-CA 3.26Å; V710-V713 VanDerWaalsContact O-CB 3.3Å; V710-V713 WeakPolarHBondContact O-CB 3.32Å; V710-V713 PolarHBondContact O-N 3.09Å; V710-V713 VanDerWaalsContact O-N 3.08Å; V710-E714 PolarHBondContact O-N 3.17Å
711	E	93.9	Very high	90.5	Very high	122 Å²	122	39.6 Å²	39.6	57%	0.57	21%	0.213	S	C	*	.	H	α-helix	trans	-58.8	-39.6	174.5	-72.3	174	-175.2	0	0	111.8	S707 V713 E714 S715	S707-E711 WeakPolarHBondContact O-CG 3.41Å; S707-E711 PolarHBondContact O-N 3.42Å; E711-V713 VanDerWaalsContact C-N 3.35Å; E711-E714 PolarHBondContact O-N 3.36Å; E711-S715 WeakPolarHBondContact O-CB 3.3Å; E711-S715 PolarHBondContact O-N 3.43Å
712	E	92.8	Very high	90.2	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-33.4	176.3	-171.7	65.4	-147.9	0	0	112.3	L383 F385 R408 V410 R699 L702 V708 L709 V710 M716	L383-E712 HydrophobicContact CD1-CG 4.35Å; L383-E712 HydrophobicContact CD2-CG 4.28Å; F385-E712 HydrophobicContact CE1-CB 4.48Å; F385-E712 HydrophobicContact CE1-CG 4.33Å; R408-E712 WeakPolarHBondContact CD-OE1 3.48Å; R408-E712 IonicContact CZ-OE1 2.83Å; R408-E712 IonicContact NE-OE1 3.45Å; R408-E712 IonicContact NH1-OE1 2.63Å; R408-E712 PolarHBondContact NH1-OE1 3.38Å; V410-E712 HydrophobicContact CG1-CG 4.36Å; V410-E712 HydrophobicContact CG2-CG 3.87Å; R699-E712 IonicContact NH1-OE1 2.8Å; R699-E712 PolarHBondContact NH1-OE1 2.9Å; R699-E712 IonicContact NH1-OE2 2.71Å; L702-E712 HydrophobicContact CD1-CB 4.06Å; L702-E712 HydrophobicContact CD1-CG 4.17Å; V708-E712 PolarHBondContact O-N 3.34Å; V708-E712 VanDerWaalsContact O-N 3.15Å; L709-E712 PolarHBondContact O-N 2.98Å; V710-E712 VanDerWaalsContact C-N 3.27Å; V710-E712 PolarHBondContact O-N 3Å; E712-M716 WeakPolarHBondContact O-CB 3.49Å; E712-M716 PolarHBondContact O-N 3.06Å
713	V	92.8	Very high	89	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-50.4	171.3	163.6	0	0	0	0	110.4	L352 L354 L383 F385 M426 L436 L709 V710 E711 S715 M716 M717	L352-V713 HydrophobicContact CD2-CG1 3.67Å; L354-V713 HydrophobicContact CD1-CG2 4.3Å; L354-V713 HydrophobicContact CD2-CG2 3.99Å; L383-V713 HydrophobicContact CD2-CB 4.42Å; L383-V713 HydrophobicContact CD2-CG2 3.75Å; F385-V713 HydrophobicContact CE2-CG2 4.3Å; F385-V713 HydrophobicContact CZ-CG2 4.2Å; M426-V713 HydrophobicContact CE-CG2 3.99Å; M426-V713 HydrophobicContact SD-CG2 4.03Å; L436-V713 HydrophobicContact CD1-CG1 4.24Å; L709-V713 WeakPolarHBondContact O-CG2 3.27Å; L709-V713 PolarHBondContact O-N 3.06Å; L709-V713 VanDerWaalsContact O-N 3.12Å; V710-V713 WeakPolarHBondContact O-CA 3.26Å; V710-V713 VanDerWaalsContact O-CB 3.3Å; V710-V713 WeakPolarHBondContact O-CB 3.32Å; V710-V713 PolarHBondContact O-N 3.09Å; V710-V713 VanDerWaalsContact O-N 3.08Å; E711-V713 VanDerWaalsContact C-N 3.35Å; V713-S715 PolarHBondContact O-N 3.3Å; V713-M716 WeakPolarHBondContact O-CB 3.23Å; V713-M716 PolarHBondContact O-N 3.46Å; V713-M717 HydrophobicContact CG1-SD 4.01Å; V713-M717 VanDerWaalsContact O-CG 3.29Å; V713-M717 WeakPolarHBondContact O-CG 3.48Å; V713-M717 PolarHBondContact O-N 3.38Å; V713-M717 VanDerWaalsContact O-N 3.14Å
714	E	91.8	Very high	86.8	Confident	54 Å²	54	50.6 Å²	50.6	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-42.8	178.1	-68.4	-179.2	171.2	0	0	111.8	H435 L436 V710 E711 M716 M717 Q718	H435-E714 IonicContact CD2-OE1 3.78Å; H435-E714 IonicContact NE2-OE1 3.69Å; L436-E714 HydrophobicContact CD2-CG 4.43Å; V710-E714 PolarHBondContact O-N 3.17Å; E711-E714 PolarHBondContact O-N 3.36Å; E714-M716 VanDerWaalsContact C-N 3.31Å; E714-M716 PolarHBondContact O-N 3.24Å; E714-M717 WeakPolarHBondContact O-CB 3.49Å; E714-M717 PolarHBondContact O-N 3.1Å; E714-M717 VanDerWaalsContact O-N 3.12Å; E714-Q718 WeakPolarHBondContact O-CG 3.3Å; E714-Q718 PolarHBondContact O-N 3.22Å
715	S	91.4	Very high	84.4	Confident	31 Å²	31	56 Å²	56	22%	0.217	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-42.8	174.3	172.2	0	0	0	0	112	R408 E711 V713 M717 Q718 D719	R408-S715 PolarHBondContact NH1-OG 3.11Å; R408-S715 VanDerWaalsContact NH1-OG 3.14Å; E711-S715 WeakPolarHBondContact O-CB 3.3Å; E711-S715 PolarHBondContact O-N 3.43Å; V713-S715 PolarHBondContact O-N 3.3Å; S715-M717 VanDerWaalsContact C-N 3.28Å; S715-M717 PolarHBondContact O-N 3Å; S715-Q718 PolarHBondContact O-N 3.29Å; S715-D719 WeakPolarHBondContact O-CB 3.11Å; S715-D719 PolarHBondContact O-N 2.95Å
716	M	90.1	Very high	83.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-37	177.4	179.8	58	-172.3	0	0	111.9	L352 V382 L383 N406 R408 E712 V713 E714 D719 S720	L352-M716 HydrophobicContact CD1-CG 3.78Å; V382-M716 WeakPolarHBondContact O-CE 3.18Å; L383-M716 HydrophobicContact CB-CG 4.27Å; L383-M716 HydrophobicContact CD1-CB 4.49Å; L383-M716 HydrophobicContact CD2-CB 4.27Å; N406-M716 WeakPolarHBondContact O-CE 3.38Å; R408-M716 HydrophobicContact CB-CE 4.34Å; R408-M716 HydrophobicContact CB-SD 3.74Å; E712-M716 WeakPolarHBondContact O-CB 3.49Å; E712-M716 PolarHBondContact O-N 3.06Å; V713-M716 WeakPolarHBondContact O-CB 3.23Å; V713-M716 PolarHBondContact O-N 3.46Å; E714-M716 VanDerWaalsContact C-N 3.31Å; E714-M716 PolarHBondContact O-N 3.24Å; M716-D719 PolarHBondContact O-N 2.83Å; M716-S720 WeakPolarHBondContact CE-OG 3.5Å; M716-S720 VanDerWaalsContact O-CB 3.24Å; M716-S720 WeakPolarHBondContact O-CB 3.39Å; M716-S720 PolarHBondContact O-N 3.33Å; M716-S720 PolarHBondContact O-OG 3.01Å
717	M	87.8	Confident	83.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-71.2	-42.9	179.6	-64.1	167.1	89.9	0	0	111.8	L352 L436 Y440 T442 V713 E714 S715 D719 S720 F721	L352-M717 HydrophobicContact CD2-CG 3.81Å; L352-M717 HydrophobicContact CD2-SD 4.07Å; L436-M717 HydrophobicContact CB-CE 3.88Å; L436-M717 HydrophobicContact CD1-CE 4.09Å; L436-M717 HydrophobicContact CD1-SD 4.06Å; L436-M717 HydrophobicContact CD2-CE 3.8Å; L436-M717 HydrophobicContact CD2-SD 3.57Å; L436-M717 VanDerWaalsContact CD2-SD 3.57Å; L436-M717 HydrophobicContact CG-CE 4.1Å; L436-M717 HydrophobicContact CG-SD 4.27Å; Y440-M717 HydrophobicContact CD1-CB 4.08Å; Y440-M717 HydrophobicContact CD2-CE 4.05Å; Y440-M717 HydrophobicContact CD2-SD 4.45Å; Y440-M717 HydrophobicContact CE1-CB 4.37Å; Y440-M717 HydrophobicContact CG-CB 4.37Å; Y440-M717 HydrophobicContact CG-CE 3.99Å; T442-M717 HydrophobicContact CG2-CE 3.32Å; T442-M717 WeakPolarHBondContact OG1-CE 3.36Å; V713-M717 HydrophobicContact CG1-SD 4.01Å; V713-M717 VanDerWaalsContact O-CG 3.29Å; V713-M717 WeakPolarHBondContact O-CG 3.48Å; V713-M717 PolarHBondContact O-N 3.38Å; V713-M717 VanDerWaalsContact O-N 3.14Å; E714-M717 WeakPolarHBondContact O-CB 3.49Å; E714-M717 PolarHBondContact O-N 3.1Å; E714-M717 VanDerWaalsContact O-N 3.12Å; S715-M717 VanDerWaalsContact C-N 3.28Å; S715-M717 PolarHBondContact O-N 3Å; M717-D719 VanDerWaalsContact C-N 3.26Å; M717-D719 PolarHBondContact O-N 2.85Å; M717-S720 PolarHBondContact O-N 3.26Å; M717-F721 HydrophobicContact CB-CD2 4.03Å; M717-F721 HydrophobicContact CB-CE2 4.41Å; M717-F721 HydrophobicContact CG-CD2 4.3Å; M717-F721 HydrophobicContact CG-CE2 4.2Å; M717-F721 WeakPolarHBondContact O-CB 3.28Å; M717-F721 PolarHBondContact O-N 3.19Å
718	Q	87.1	Confident	82.8	Confident	94 Å²	94	56.2 Å²	56.2	44%	0.439	32%	0.316	S	S	.	.	I	π-helix	trans	-57.1	-44.5	173.4	-69.6	175.8	3.8	0	0	111.1	Y440 E714 S715 L722 K723	Y440-Q718 HydrophobicContact CE1-CG 4.01Å; E714-Q718 WeakPolarHBondContact O-CG 3.3Å; E714-Q718 PolarHBondContact O-N 3.22Å; S715-Q718 PolarHBondContact O-N 3.29Å; Q718-L722 HydrophobicContact CG-CD1 4.27Å; Q718-L722 WeakPolarHBondContact O-CB 3.39Å; Q718-L722 PolarHBondContact O-N 3.37Å; Q718-K723 PolarHBondContact O-N 2.8Å; Q718-K723 VanDerWaalsContact O-N 3.17Å
719	D	83.9	Confident	82.2	Confident	42 Å²	42	57.3 Å²	57.3	23%	0.225	32%	0.322	C	S	.	.	I	π-helix	trans	-71.8	-34	-179.3	-74	-27.1	0	0	0	113.7	R408 S715 M716 M717 K723	R408-D719 IonicContact CZ-OD2 3.72Å; R408-D719 IonicContact NH1-OD2 2.64Å; R408-D719 IonicContact NH2-OD2 3.83Å; R408-D719 PolarHBondContact NH2-OD2 3.1Å; S715-D719 WeakPolarHBondContact O-CB 3.11Å; S715-D719 PolarHBondContact O-N 2.95Å; M716-D719 PolarHBondContact O-N 2.83Å; M717-D719 VanDerWaalsContact C-N 3.26Å; M717-D719 PolarHBondContact O-N 2.85Å; D719-K723 WeakPolarHBondContact OD1-CE 3.24Å; D719-K723 IonicContact OD1-NZ 2.71Å; D719-K723 PolarHBondContact OD1-NZ 3.22Å
720	S	83.4	Confident	81.4	Confident	14 Å²	14	60.9 Å²	60.9	10%	0.098	34%	0.342	C	S	.	.	I	π-helix	trans	-86.5	-34.8	-175.5	-58.3	0	0	0	0	113.6	M716 M717	M716-S720 WeakPolarHBondContact CE-OG 3.5Å; M716-S720 VanDerWaalsContact O-CB 3.24Å; M716-S720 WeakPolarHBondContact O-CB 3.39Å; M716-S720 PolarHBondContact O-N 3.33Å; M716-S720 PolarHBondContact O-OG 3.01Å; M717-S720 PolarHBondContact O-N 3.26Å
721	F	85.4	Confident	80.6	Confident	32 Å²	32	63.5 Å²	63.5	14%	0.14	36%	0.356	C	S	.	.	I	π-helix	trans	-119.9	-24.6	-165.9	-52.8	-44.9	0	0	0	114.1	N350 F351 H378 T442 M717	N350-F721 HydrophobicContact CB-CD1 4.16Å; N350-F721 HydrophobicContact CB-CD2 4.2Å; N350-F721 HydrophobicContact CB-CE1 4.07Å; N350-F721 HydrophobicContact CB-CE2 4.11Å; N350-F721 HydrophobicContact CB-CG 4.23Å; N350-F721 HydrophobicContact CB-CZ 4.04Å; F351-F721 WeakPolarHBondContact O-CZ 3.5Å; H378-F721 WeakPolarHBondContact O-CD1 3.28Å; T442-F721 HydrophobicContact CG2-CE2 3.88Å; M717-F721 HydrophobicContact CB-CD2 4.03Å; M717-F721 HydrophobicContact CB-CE2 4.41Å; M717-F721 HydrophobicContact CG-CD2 4.3Å; M717-F721 HydrophobicContact CG-CE2 4.2Å; M717-F721 WeakPolarHBondContact O-CB 3.28Å; M717-F721 PolarHBondContact O-N 3.19Å
722	L	78.8	Confident	79.7	Confident	97 Å²	97	59.4 Å²	59.4	51%	0.508	34%	0.341	S	S	.	.	I	π-helix	trans	-107.6	-17.5	-175.2	-62.3	-178.8	0	0	0	114.3	Y440 Q718 V724	Y440-L722 HydrophobicContact CD1-CD1 3.68Å; Y440-L722 HydrophobicContact CD1-CG 4.23Å; Y440-L722 HydrophobicContact CE1-CD1 3.58Å; Q718-L722 HydrophobicContact CG-CD1 4.27Å; Q718-L722 WeakPolarHBondContact O-CB 3.39Å; Q718-L722 PolarHBondContact O-N 3.37Å; L722-V724 PolarHBondContact O-N 3.08Å
723	K	64.7	Low	78.6	Confident	144 Å²	144	62.2 Å²	62.2	63%	0.626	36%	0.359	S	S	*	.			trans	-68.9	101.3	171	-79.8	-176.7	172.1	164.8	0	109.7	Q718 D719 A725	Q718-K723 PolarHBondContact O-N 2.8Å; Q718-K723 VanDerWaalsContact O-N 3.17Å; D719-K723 WeakPolarHBondContact OD1-CE 3.24Å; D719-K723 IonicContact OD1-NZ 2.71Å; D719-K723 PolarHBondContact OD1-NZ 3.22Å; K723-A725 PolarHBondContact O-N 2.76Å
724	V	45.1	Very low	77.5	Confident	144 Å²	144	67.3 Å²	67.3	87%	0.873	39%	0.388	S	S	*	.			trans	-60.5	120.1	167	-173.2	0	0	0	0	107.4	L722	L722-V724 PolarHBondContact O-N 3.08Å
725	A	40	Very low	76.2	Confident	155 Å²	155	68.5 Å²	68.5	100%	1.281	40%	0.401	S	S	*	.			trans	-68	0	174.2	0	0	0	0	0	111.8	K723	K723-A725 PolarHBondContact O-N 2.76Å

Retrieved 725 of 725 residues in 369.8 ms (Link to these results)

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