A0A077Z3C1_TRITR Loading...

Putative nudix hydrolase 6

AlphaFold DB , UniProt , Accession A0A077Z3C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 523 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	36.8	Very low	28.4	Very low	230 Å²	230	146.6 Å²	146.6	100%	1.133	79%	0.791	S	S	*	*				0	116.1	0	-70.7	145.8	75.1	0	0	106.3
2	K	27.6	Very low	28.4	Very low	215 Å²	215	149.5 Å²	149.5	94%	0.935	79%	0.791	S	S	*	*				80.6	121	74.4	-78.6	-167.7	174.5	-174.7	0	112.3
3	G	30.8	Very low	28.3	Very low	64 Å²	64	146.6 Å²	146.6	66%	0.66	78%	0.783	S	S	*	*			trans	133.3	95.3	-179.3	0	0	0	0	0	110.6
4	L	27.1	Very low	28.1	Very low	159 Å²	159	145.8 Å²	145.8	83%	0.832	78%	0.777	S	S	*	*				59.6	114.2	89.3	-87.1	64	0	0	0	112.5
5	T	29.2	Very low	28	Very low	124 Å²	124	146.9 Å²	146.9	76%	0.761	78%	0.776	S	S	*	*			cis	78.7	148.9	20.7	-29.3	0	0	0	0	114.6
6	L	27.5	Very low	28.1	Very low	158 Å²	158	144.9 Å²	144.9	83%	0.827	77%	0.771	S	S	*	*			trans	75.5	148.4	-170.4	-83.3	82.4	0	0	0	113.9
7	V	27.9	Very low	28	Very low	117 Å²	117	143.1 Å²	143.1	71%	0.709	77%	0.773	S	S	*	*			cis	-158.3	167.8	-2	83.5	0	0	0	0	107.6
8	L	28.2	Very low	28	Very low	141 Å²	141	138.7 Å²	138.7	74%	0.738	77%	0.767	S	S	*	*			cis	-116.2	-155.5	-4.7	-89.1	167.7	0	0	0	107.8
9	L	24.9	Very low	28	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	77%	0.768	S	S	*	*			cis	68.9	151.4	14.9	-65.3	169.8	0	0	0	116
10	S	25.6	Very low	28	Very low	78 Å²	78	142.3 Å²	142.3	55%	0.545	77%	0.772	S	S	.	*			cis	-159.1	172.9	-14.7	44.5	0	0	0	0	111.4
11	F	26.7	Very low	27.8	Very low	175 Å²	175	145.2 Å²	145.2	77%	0.768	78%	0.778	S	S	*	*			trans	117	135.9	149.7	-74.1	-57.4	0	0	0	121.7
12	F	27.9	Very low	27.5	Very low	181 Å²	181	140.9 Å²	140.9	79%	0.794	76%	0.764	S	S	*	*			trans	45.5	137	155.9	-76.7	-98.1	0	0	0	120.3
13	V	27.5	Very low	27.4	Very low	112 Å²	112	135.7 Å²	135.7	68%	0.679	76%	0.755	S	S	*	*			cis	-163.1	-179	-11.5	89.7	0	0	0	0	111.5
14	L	25.5	Very low	27.5	Very low	135 Å²	135	137.1 Å²	137.1	71%	0.707	75%	0.753	S	S	*	*			trans	-35.4	150.7	164.2	-55.1	152.3	0	0	0	113.9
15	Q	27.3	Very low	28	Very low	162 Å²	162	131.8 Å²	131.8	76%	0.757	73%	0.725	S	S	*	*			cis	-157.9	-159.8	-3.3	-112.1	-179.6	16.4	0	0	106.9
16	V	28.4	Very low	28.2	Very low	115 Å²	115	130.4 Å²	130.4	70%	0.697	72%	0.718	S	S	*	*			cis	-152.8	167.7	14.7	-143.7	0	0	0	0	110.8
17	S	26.8	Very low	29.2	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	70%	0.7	S	S	*	*			trans	20.5	132.6	151.6	62.2	0	0	0	0	123.7
18	G	27.6	Very low	30.2	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	67%	0.672	S	S	*	*			trans	112.5	75.3	149.2	0	0	0	0	0	117
19	I	28.7	Very low	30.5	Very low	155 Å²	155	125.9 Å²	125.9	80%	0.795	67%	0.671	S	S	*	*				49.4	107	76.9	-56.4	170.9	0	0	0	112.2
20	F	27.4	Very low	31	Very low	193 Å²	193	125.2 Å²	125.2	85%	0.846	67%	0.668	S	S	*	*			cis	-140.6	131.9	-9.3	-107.2	-67.4	0	0	0	108
21	K	25.4	Very low	31.3	Very low	204 Å²	204	130 Å²	130	89%	0.887	68%	0.681	S	S	*	*			trans	-105	129.7	165.6	-81.4	179.3	176.9	171.7	0	109.7	S23	K21-S23 PolarHBondContact O-N 3.46Å; K21-S23 VanDerWaalsContact O-N 3.16Å
22	V	29.5	Very low	31.2	Very low	140 Å²	140	128.5 Å²	128.5	85%	0.848	68%	0.681	S	S	*	*			trans	-70.4	107.5	168.9	179.2	0	0	0	0	107.8
23	S	25.2	Very low	31.2	Very low	105 Å²	105	123.9 Å²	123.9	73%	0.734	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-78.7	129.9	-178.3	-165.9	0	0	0	0	110.7	K21	K21-S23 PolarHBondContact O-N 3.46Å; K21-S23 VanDerWaalsContact O-N 3.16Å
24	P	32.8	Very low	31.1	Very low	95 Å²	95	122.7 Å²	122.7	62%	0.617	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-68.5	138.9	173.7	28.8	-33.5	0	0	0	110.7
25	N	37.4	Very low	31.1	Very low	47 Å²	47	126 Å²	126	25%	0.251	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-50.5	121.6	175.8	175.8	-17	0	0	0	109.5	K27 K28 D145	N25-K27 PolarHBondContact O-N 3.1Å; N25-K27 VanDerWaalsContact O-N 3.08Å; N25-K27 WeakPolarHBondContact OD1-CB 3.48Å; N25-K27 PolarHBondContact OD1-N 3.27Å; N25-K27 VanDerWaalsContact OD1-N 3.09Å; N25-K28 PolarHBondContact O-N 3.36Å; N25-D145 PolarHBondContact ND2-O 3.2Å; N25-D145 PolarHBondContact ND2-OD1 3.25Å
26	P	35	Very low	30.9	Very low	94 Å²	94	124.8 Å²	124.8	61%	0.61	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-61.9	-22.9	-171.6	22.8	-33.2	0	0	0	113.6	K28 R29	P26-K28 PolarHBondContact O-N 3.25Å; P26-R29 WeakPolarHBondContact O-CG 3.44Å
27	K	48.2	Very low	30.8	Very low	103 Å²	103	125.3 Å²	125.3	45%	0.448	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-66.9	-22.2	173	-60.5	-175.6	-176.9	-173.4	0	113.5	N25 D146 F148	N25-K27 PolarHBondContact O-N 3.1Å; N25-K27 VanDerWaalsContact O-N 3.08Å; N25-K27 WeakPolarHBondContact OD1-CB 3.48Å; N25-K27 PolarHBondContact OD1-N 3.27Å; N25-K27 VanDerWaalsContact OD1-N 3.09Å; K27-D146 IonicContact NZ-OD1 3.35Å; K27-D146 PolarHBondContact NZ-OD1 3.34Å; K27-F148 HydrophobicContact CB-CD1 4.48Å; K27-F148 HydrophobicContact CB-CE1 3.99Å; K27-F148 HydrophobicContact CD-CE1 4.15Å; K27-F148 HydrophobicContact CD-CZ 3.98Å; K27-F148 HydrophobicContact CG-CE1 4.21Å
28	K	49	Very low	30.7	Very low	31 Å²	31	128.7 Å²	128.7	14%	0.135	70%	0.697	C	S	.	*	G	3₁₀ helix	trans	-109.1	23.5	-177.4	-64.7	-174.4	178.9	179.1	0	113.1	N25 P26 S104 D144 C147 F149	N25-K28 PolarHBondContact O-N 3.36Å; P26-K28 PolarHBondContact O-N 3.25Å; K28-S104 PolarHBondContact NZ-OG 2.99Å; K28-D144 WeakPolarHBondContact CE-O 3.41Å; K28-D144 VanDerWaalsContact NZ-CG 3.31Å; K28-D144 PolarHBondContact NZ-O 3.47Å; K28-D144 IonicContact NZ-OD1 3.55Å; K28-D144 IonicContact NZ-OD2 3.64Å; K28-D144 PolarHBondContact NZ-OD2 2.89Å; K28-C147 WeakPolarHBondContact CE-O 3.37Å; K28-F149 HydrophobicContact CB-CE2 4.08Å; K28-F149 HydrophobicContact CD-CE2 4.47Å; K28-F149 HydrophobicContact CG-CE2 4.3Å
29	R	34.6	Very low	30.7	Very low	188 Å²	188	133.5 Å²	133.5	71%	0.709	70%	0.7	S	S	*	*			trans	-56.6	140.2	176.1	-84	-178.8	174.4	-158.4	0.4	111.9	P26 H31	P26-R29 WeakPolarHBondContact O-CG 3.44Å; R29-H31 PolarHBondContact O-N 2.95Å
30	L	34.7	Very low	30.8	Very low	138 Å²	138	130.3 Å²	130.3	72%	0.723	69%	0.689	S	S	*	*			trans	-68.5	99.9	172.6	-82.2	71.9	0	0	0	110.1	N32	L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.15Å; L30-N32 VanDerWaalsContact O-N 3.08Å
31	H	31.4	Very low	30.8	Very low	178 Å²	178	125.5 Å²	125.5	82%	0.824	68%	0.679	S	S	*	*			trans	-72.3	91	154.1	-92.3	-87.4	0	0	0	108.5	R29 A33	R29-H31 PolarHBondContact O-N 2.95Å; H31-A33 PolarHBondContact O-N 2.76Å; H31-A33 VanDerWaalsContact O-N 3.09Å
32	N	25.8	Very low	31	Very low	144 Å²	144	122 Å²	122	77%	0.77	67%	0.67	S	S	*	*			trans	-68.1	100.1	171.3	-75.2	-10	0	0	0	109.3	L30	L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.15Å; L30-N32 VanDerWaalsContact O-N 3.08Å
33	A	26.3	Very low	31.2	Very low	84 Å²	84	120 Å²	120	69%	0.694	66%	0.659	S	S	*	*			trans	-113.8	92.9	176.4	0	0	0	0	0	110.5	H31 F35	H31-A33 PolarHBondContact O-N 2.76Å; H31-A33 VanDerWaalsContact O-N 3.09Å; A33-F35 PolarHBondContact O-N 3.11Å
34	G	25.9	Very low	31.7	Very low	86 Å²	86	118.2 Å²	118.2	89%	0.887	64%	0.644	S	S	*	*	S	Bend	trans	68	-25.5	156.3	0	0	0	0	0	119.5	D36	G34-D36 PolarHBondContact O-N 2.95Å
35	F	25.2	Very low	31.7	Very low	204 Å²	204	119.8 Å²	119.8	90%	0.895	65%	0.652	S	S	*	*			trans	-79.3	113.7	179.2	-81.2	-83.1	0	0	0	111.1	A33	A33-F35 PolarHBondContact O-N 3.11Å
36	D	24.4	Very low	31.7	Very low	138 Å²	138	119.2 Å²	119.2	74%	0.738	66%	0.658	S	S	*	*			trans	-49.2	148.6	179.8	-136	-28.1	0	0	0	112.7	G34 K38	G34-D36 PolarHBondContact O-N 2.95Å; D36-K38 PolarHBondContact O-N 2.8Å
37	V	25.9	Very low	32.1	Very low	125 Å²	125	117.8 Å²	117.8	76%	0.758	64%	0.642	S	S	*	*			trans	-77.4	69.7	165.2	-172.4	0	0	0	0	108	K39	V37-K39 PolarHBondContact O-N 3.12Å
38	K	24.6	Very low	31.9	Very low	185 Å²	185	119.9 Å²	119.9	80%	0.804	65%	0.653	S	S	*	*			trans	-56.7	94.7	142	-73.4	-166.7	176.9	-173.5	0	106	D36	D36-K38 PolarHBondContact O-N 2.8Å
39	K	27.5	Very low	31.9	Very low	167 Å²	167	121.2 Å²	121.2	73%	0.726	67%	0.67	S	S	*	*			trans	-39.4	150.2	154	-62.5	174.7	-179.2	174.3	0	107.5	V37 S41	V37-K39 PolarHBondContact O-N 3.12Å; K39-S41 PolarHBondContact O-N 3.37Å
40	P	31	Very low	32.5	Very low	87 Å²	87	117.5 Å²	117.5	57%	0.565	66%	0.659	S	S	*	*			trans	-59.6	81.4	161.3	-23.3	35.4	0	0	0	109.9	D42	P40-D42 PolarHBondContact O-N 2.82Å
41	S	27.3	Very low	33.1	Very low	92 Å²	92	113.6 Å²	113.6	64%	0.643	64%	0.641	S	S	*	*	S	Bend	trans	-55.3	133.5	160.6	48.9	0	0	0	0	105.9	K39	K39-S41 PolarHBondContact O-N 3.37Å
42	D	29.8	Very low	34.1	Very low	131 Å²	131	111.1 Å²	111.1	70%	0.701	63%	0.63	S	S	*	*			trans	68.5	69.4	-165.7	-43.5	-35.2	0	0	0	113	P40 P44	P40-D42 PolarHBondContact O-N 2.82Å; D42-P44 WeakPolarHBondContact O-CD 3.47Å; D42-P44 VanDerWaalsContact O-N 3.09Å
43	V	33.5	Very low	35.2	Very low	99 Å²	99	106.4 Å²	106.4	60%	0.6	61%	0.61	S	S	*	*			trans	-48.4	109.6	131.1	171.8	0	0	0	0	105.7	T45 F47	V43-T45 PolarHBondContact O-N 2.69Å; V43-T45 VanDerWaalsContact O-N 3.13Å; V43-F47 HydrophobicContact CG1-CB 3.73Å; V43-F47 HydrophobicContact CG1-CD1 4.33Å; V43-F47 HydrophobicContact CG1-CG 4.36Å
44	P	35.3	Very low	36.1	Very low	67 Å²	67	103.2 Å²	103.2	44%	0.435	58%	0.584	S	S	.	*			trans	-60.1	123.1	-160.9	-27.6	35.5	0	0	0	110.8	D42 G46 F47	D42-P44 WeakPolarHBondContact O-CD 3.47Å; D42-P44 VanDerWaalsContact O-N 3.09Å; P44-G46 CarbonylContact O-C 3.5Å; P44-G46 PolarHBondContact O-N 3.32Å; P44-F47 WeakPolarHBondContact O-CB 3.38Å; P44-F47 PolarHBondContact O-N 3.42Å
45	T	32.3	Very low	37.2	Very low	128 Å²	128	101.5 Å²	101.5	79%	0.785	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	126.6	-162	-28.4	0	0	0	0	111.6	V43 K50	V43-T45 PolarHBondContact O-N 2.69Å; V43-T45 VanDerWaalsContact O-N 3.13Å; T45-K50 PolarHBondContact O-NZ 2.99Å
46	G	38.5	Very low	38.5	Very low	35 Å²	35	95 Å²	95	36%	0.361	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	26.5	-169	0	0	0	0	0	115.7	P44 A49 K50	P44-G46 CarbonylContact O-C 3.5Å; P44-G46 PolarHBondContact O-N 3.32Å; G46-A49 PolarHBondContact O-N 3.26Å; G46-K50 WeakPolarHBondContact O-CB 3.13Å; G46-K50 WeakPolarHBondContact O-CD 3.46Å; G46-K50 WeakPolarHBondContact O-CG 3.37Å; G46-K50 PolarHBondContact O-N 2.7Å
47	F	42.2	Very low	39.7	Very low	63 Å²	63	92.3 Å²	92.3	28%	0.276	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-45.2	171.9	179.3	-103.2	0	0	0	111.6	V43 P44 A49 K50 V51 Y110	V43-F47 HydrophobicContact CG1-CB 3.73Å; V43-F47 HydrophobicContact CG1-CD1 4.33Å; V43-F47 HydrophobicContact CG1-CG 4.36Å; P44-F47 WeakPolarHBondContact O-CB 3.38Å; P44-F47 PolarHBondContact O-N 3.42Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 2.96Å; F47-K50 WeakPolarHBondContact O-CB 3.5Å; F47-K50 PolarHBondContact O-N 3.23Å; F47-K50 VanDerWaalsContact O-N 3.09Å; F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.82Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.79Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 2.58Å; F47-Y110 WeakPolarHBondContact CZ-OH 3.43Å
48	E	44.8	Very low	40.6	Very low	148 Å²	148	90.9 Å²	90.9	69%	0.692	51%	0.505	S	S	*	.	H	α-helix	trans	-59.8	-43.4	172.4	-65	-171.8	126.5	0	0	111.4	K50 V51 Q52	E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 2.94Å; E48-V51 PolarHBondContact O-N 3.14Å; E48-V51 VanDerWaalsContact O-N 3.13Å; E48-Q52 WeakPolarHBondContact O-CB 3.14Å; E48-Q52 WeakPolarHBondContact O-CG 3.5Å; E48-Q52 PolarHBondContact O-N 3.09Å
49	A	48.5	Very low	41.6	Very low	59 Å²	59	88.9 Å²	88.9	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-35.2	174.1	0	0	0	0	0	112.5	G46 F47 A53	G46-A49 PolarHBondContact O-N 3.26Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 2.96Å; A49-A53 WeakPolarHBondContact O-CB 3.26Å; A49-A53 PolarHBondContact O-N 3.1Å
50	K	47.2	Very low	42.6	Very low	109 Å²	109	88.4 Å²	88.4	47%	0.474	49%	0.494	S	S	.	.	H	α-helix	trans	-69.7	-39	173.5	-71.4	154.4	-171.9	148.7	0	111.8	T45 G46 F47 E48 A53 A54	T45-K50 PolarHBondContact O-NZ 2.99Å; G46-K50 WeakPolarHBondContact O-CB 3.13Å; G46-K50 WeakPolarHBondContact O-CD 3.46Å; G46-K50 WeakPolarHBondContact O-CG 3.37Å; G46-K50 PolarHBondContact O-N 2.7Å; F47-K50 WeakPolarHBondContact O-CB 3.5Å; F47-K50 PolarHBondContact O-N 3.23Å; F47-K50 VanDerWaalsContact O-N 3.09Å; E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 2.94Å; K50-A53 PolarHBondContact O-N 2.82Å; K50-A54 WeakPolarHBondContact O-CB 3.37Å; K50-A54 PolarHBondContact O-N 3.4Å
51	V	47.6	Very low	43.1	Very low	57 Å²	57	89.1 Å²	89.1	35%	0.345	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-45.5	174.3	172.6	0	0	0	0	111	F47 E48 A54 V55	F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.82Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.79Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 2.58Å; E48-V51 PolarHBondContact O-N 3.14Å; E48-V51 VanDerWaalsContact O-N 3.13Å; V51-A54 PolarHBondContact O-N 3.26Å; V51-V55 WeakPolarHBondContact O-CG2 3.36Å; V51-V55 PolarHBondContact O-N 3.04Å
52	Q	51.9	Low	43.8	Very low	126 Å²	126	89 Å²	89	59%	0.589	48%	0.48	S	S	*	.	H	α-helix	trans	-67.8	-33.6	175.7	-73.4	169.1	-29.7	0	0	112.1	E48 T56	E48-Q52 WeakPolarHBondContact O-CB 3.14Å; E48-Q52 WeakPolarHBondContact O-CG 3.5Å; E48-Q52 PolarHBondContact O-N 3.09Å; Q52-T56 VanDerWaalsContact O-CB 3.23Å; Q52-T56 WeakPolarHBondContact O-CB 3.11Å; Q52-T56 PolarHBondContact O-N 3.19Å; Q52-T56 PolarHBondContact O-OG1 3.08Å
53	A	49.1	Very low	44.6	Very low	44 Å²	44	89.5 Å²	89.5	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-45.5	169.5	0	0	0	0	0	111.2	A49 K50 V55 T56 I57	A49-A53 WeakPolarHBondContact O-CB 3.26Å; A49-A53 PolarHBondContact O-N 3.1Å; K50-A53 PolarHBondContact O-N 2.82Å; A53-V55 PolarHBondContact O-N 2.78Å; A53-T56 CarbonylContact O-C 3.57Å; A53-T56 PolarHBondContact O-N 2.75Å; A53-T56 VanDerWaalsContact O-N 3.15Å; A53-I57 WeakPolarHBondContact O-CB 3.42Å; A53-I57 VanDerWaalsContact O-CG1 3.25Å; A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.17Å
54	A	46	Very low	45.1	Very low	17 Å²	17	95.2 Å²	95.2	14%	0.14	49%	0.494	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.2	0	0	0	0	0	112	K50 V51 T56 I57 M58	K50-A54 WeakPolarHBondContact O-CB 3.37Å; K50-A54 PolarHBondContact O-N 3.4Å; V51-A54 PolarHBondContact O-N 3.26Å; A54-T56 VanDerWaalsContact C-N 3.33Å; A54-T56 PolarHBondContact O-N 2.99Å; A54-I57 PolarHBondContact O-N 2.83Å; A54-M58 WeakPolarHBondContact O-CG 3.21Å; A54-M58 PolarHBondContact O-N 3.31Å
55	V	48.7	Very low	45.1	Very low	51 Å²	51	99.9 Å²	99.9	31%	0.309	52%	0.515	S	S	.	.	H	α-helix	trans	-61.4	-39.8	173	170.4	0	0	0	0	111.5	V51 A53 M58 K59	V51-V55 WeakPolarHBondContact O-CG2 3.36Å; V51-V55 PolarHBondContact O-N 3.04Å; A53-V55 PolarHBondContact O-N 2.78Å; V55-M58 HydrophobicContact CG2-CE 4.31Å; V55-M58 PolarHBondContact O-N 3.17Å; V55-K59 WeakPolarHBondContact O-CG 3.26Å; V55-K59 PolarHBondContact O-N 3.19Å
56	T	52.3	Low	45.3	Very low	68 Å²	68	98.8 Å²	98.8	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-71	-36.1	178.3	-59.7	0	0	0	0	112.2	Q52 A53 A54 K59 K60	Q52-T56 VanDerWaalsContact O-CB 3.23Å; Q52-T56 WeakPolarHBondContact O-CB 3.11Å; Q52-T56 PolarHBondContact O-N 3.19Å; Q52-T56 PolarHBondContact O-OG1 3.08Å; A53-T56 CarbonylContact O-C 3.57Å; A53-T56 PolarHBondContact O-N 2.75Å; A53-T56 VanDerWaalsContact O-N 3.15Å; A54-T56 VanDerWaalsContact C-N 3.33Å; A54-T56 PolarHBondContact O-N 2.99Å; T56-K59 PolarHBondContact O-N 2.87Å; T56-K60 WeakPolarHBondContact O-CG 3.03Å; T56-K60 PolarHBondContact O-N 2.91Å
57	I	50.3	Low	44.8	Very low	81 Å²	81	108.2 Å²	108.2	42%	0.415	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-44.8	172.5	-71.5	163.7	0	0	0	109.7	A53 A54 K59 K60 L61	A53-I57 WeakPolarHBondContact O-CB 3.42Å; A53-I57 VanDerWaalsContact O-CG1 3.25Å; A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.17Å; A54-I57 PolarHBondContact O-N 2.83Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.44Å; I57-K60 PolarHBondContact O-N 3.41Å; I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.33Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.48Å; I57-L61 PolarHBondContact O-N 2.97Å
58	M	43.9	Very low	44.1	Very low	95 Å²	95	113 Å²	113	47%	0.468	56%	0.561	S	S	.	*	H	α-helix	trans	-60.4	-40.9	173	-71.2	-169	-64.6	0	0	112.1	A54 V55 K62	A54-M58 WeakPolarHBondContact O-CG 3.21Å; A54-M58 PolarHBondContact O-N 3.31Å; V55-M58 HydrophobicContact CG2-CE 4.31Å; V55-M58 PolarHBondContact O-N 3.17Å; M58-K62 PolarHBondContact O-N 3.14Å; M58-K62 VanDerWaalsContact O-N 3.13Å
59	K	47	Very low	43.5	Very low	143 Å²	143	109.8 Å²	109.8	62%	0.622	55%	0.551	S	S	*	*	H	α-helix	trans	-61.8	-43.1	171.8	-75.9	-177.9	177.3	-174.5	0	112.8	V55 T56 I57 K62	V55-K59 WeakPolarHBondContact O-CG 3.26Å; V55-K59 PolarHBondContact O-N 3.19Å; T56-K59 PolarHBondContact O-N 2.87Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.44Å; K59-K62 VanDerWaalsContact O-CB 3.25Å; K59-K62 WeakPolarHBondContact O-CB 3.22Å; K59-K62 PolarHBondContact O-N 3.45Å
60	K	46.8	Very low	42.8	Very low	156 Å²	156	112 Å²	112	68%	0.678	56%	0.559	S	S	*	*	H	α-helix	trans	-69.4	-38.4	179.2	-76.4	-174.2	176.6	-174.6	0	112.7	T56 I57 K62 N63	T56-K60 WeakPolarHBondContact O-CG 3.03Å; T56-K60 PolarHBondContact O-N 2.91Å; I57-K60 PolarHBondContact O-N 3.41Å; K60-K62 PolarHBondContact O-N 3.49Å; K60-N63 PolarHBondContact O-N 2.9Å
61	L	41.8	Very low	42.2	Very low	102 Å²	102	112.8 Å²	112.8	53%	0.534	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-32	173.6	-70.9	169.9	0	0	0	111.7	I57 N63 R64	I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.33Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.48Å; I57-L61 PolarHBondContact O-N 2.97Å; L61-N63 PolarHBondContact O-N 2.84Å; L61-N63 VanDerWaalsContact O-N 3.11Å; L61-R64 PolarHBondContact O-N 3.21Å
62	K	43.2	Very low	41.7	Very low	89 Å²	89	113.7 Å²	113.7	39%	0.387	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.5	-19.9	176.4	-150	177.1	-176.1	-178.5	0	114.2	M58 K59 K60 V69 T70	M58-K62 PolarHBondContact O-N 3.14Å; M58-K62 VanDerWaalsContact O-N 3.13Å; K59-K62 VanDerWaalsContact O-CB 3.25Å; K59-K62 WeakPolarHBondContact O-CB 3.22Å; K59-K62 PolarHBondContact O-N 3.45Å; K60-K62 PolarHBondContact O-N 3.49Å; K62-V69 WeakPolarHBondContact CE-O 3.33Å; K62-V69 PolarHBondContact NZ-O 3.21Å; K62-T70 PolarHBondContact NZ-O 2.85Å; K62-T70 VanDerWaalsContact NZ-O 3.09Å
63	N	45.4	Very low	41.4	Very low	143 Å²	143	115.3 Å²	115.3	77%	0.765	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-0.4	-177.1	-75.5	13.2	0	0	0	114.9	K60 L61	K60-N63 PolarHBondContact O-N 2.9Å; L61-N63 PolarHBondContact O-N 2.84Å; L61-N63 VanDerWaalsContact O-N 3.11Å
64	R	43.8	Very low	41.4	Very low	219 Å²	219	117.3 Å²	117.3	83%	0.826	58%	0.582	S	S	*	*	S	Bend	trans	-112.8	88.7	176.9	-74.4	-172.3	173.7	-173.8	-1.7	111.7	L61	L61-R64 PolarHBondContact O-N 3.21Å
65	N	36.2	Very low	42.2	Very low	165 Å²	165	120 Å²	120	88%	0.882	60%	0.596	S	S	*	*	S	Bend	trans	71.6	39.9	161.1	-56.1	-6.3	0	0	0	118.9
66	V	35.7	Very low	43	Very low	104 Å²	104	123.2 Å²	123.2	63%	0.63	61%	0.612	S	S	*	*			trans	-132.7	113.4	161.5	-174	0	0	0	0	111	V69	V66-V69 HydrophobicContact CG1-CG2 3.87Å
67	R	28.2	Very low	43.9	Very low	233 Å²	233	120.1 Å²	120.1	88%	0.879	59%	0.593	S	S	*	*			trans	-75.5	152	166.9	-70.8	-178.9	175.2	174.7	-1.9	109.6
68	N	28.8	Very low	45.1	Very low	164 Å²	164	119.2 Å²	119.2	88%	0.877	59%	0.592	S	S	*	*			trans	65.9	57.5	172.9	-57	-2.5	0	0	0	116.6
69	V	32.2	Very low	46.6	Very low	80 Å²	80	119 Å²	119	49%	0.485	60%	0.596	S	S	.	*			trans	-116.7	105.9	162	-176.6	0	0	0	0	109.9	K62 V66	K62-V69 WeakPolarHBondContact CE-O 3.33Å; K62-V69 PolarHBondContact NZ-O 3.21Å; V66-V69 HydrophobicContact CG1-CG2 3.87Å
70	T	33.6	Very low	48.2	Very low	107 Å²	107	118.2 Å²	118.2	66%	0.656	59%	0.594	S	S	*	*			trans	-55.8	168.1	174	19.8	0	0	0	0	112.7	K62 S72	K62-T70 PolarHBondContact NZ-O 2.85Å; K62-T70 VanDerWaalsContact NZ-O 3.09Å; T70-S72 PolarHBondContact O-N 2.77Å; T70-S72 VanDerWaalsContact O-N 3.08Å
71	E	33.2	Very low	49.9	Very low	125 Å²	125	112.6 Å²	112.6	58%	0.584	57%	0.57	S	S	*	*			trans	-67	106.9	176.4	-64.2	-163.4	133.4	0	0	111.9	R73	E71-R73 VanDerWaalsContact C-N 3.3Å; E71-R73 PolarHBondContact O-N 2.72Å; E71-R73 IonicContact OE2-NE 3.98Å
72	S	38.2	Very low	51.8	Low	75 Å²	75	111.8 Å²	111.8	52%	0.524	56%	0.56	S	S	.	*			trans	-71.6	86.8	160.9	43.7	0	0	0	0	109.3	T70	T70-S72 PolarHBondContact O-N 2.77Å; T70-S72 VanDerWaalsContact O-N 3.08Å
73	R	45.8	Very low	53.7	Low	160 Å²	160	110.5 Å²	110.5	60%	0.604	56%	0.56	S	S	*	*			trans	-66.3	132.9	165.7	-71.5	-170	178.3	-170.1	-2.5	108.9	E71 V75	E71-R73 VanDerWaalsContact C-N 3.3Å; E71-R73 PolarHBondContact O-N 2.72Å; E71-R73 IonicContact OE2-NE 3.98Å; R73-V75 PolarHBondContact O-N 2.76Å
74	T	49.5	Very low	55.7	Low	87 Å²	87	110.3 Å²	110.3	53%	0.534	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	118.6	164.7	-50.4	0	0	0	0	108.2	V112	T74-V112 HydrophobicContact CG2-CG1 3.27Å
75	V	61.5	Low	57.7	Low	72 Å²	72	99.9 Å²	99.9	44%	0.436	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.8	178.6	-179.8	0	0	0	0	108.8	R73 P77 K113	R73-V75 PolarHBondContact O-N 2.76Å; V75-P77 VanDerWaalsContact O-CD 3.28Å; V75-P77 WeakPolarHBondContact O-CD 3.42Å; V75-K113 PolarHBondContact N-O 2.95Å; V75-K113 PolarHBondContact O-N 2.8Å
76	N	66.1	Low	60.3	Low	120 Å²	120	92 Å²	92	64%	0.642	47%	0.467	S	S	*	.			trans	-82	109.7	163.3	-73.7	-21.2	0	0	0	107.5
77	P	70.4	Confident	62.8	Low	2 Å²	2	90.6 Å²	90.6	1%	0.013	45%	0.452	C	S	.	.			trans	-67.7	158.2	-174.4	-17.8	31.9	0	0	0	112.3	V75 E81 R82 I85 V111 K113	V75-P77 VanDerWaalsContact O-CD 3.28Å; V75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-E81 HydrophobicContact CB-CB 3.94Å; P77-E81 HydrophobicContact CB-CG 4.07Å; P77-R82 HydrophobicContact CB-CG 3.81Å; P77-R82 HydrophobicContact CG-CG 4.06Å; P77-R82 WeakPolarHBondContact O-CD 3.26Å; P77-R82 WeakPolarHBondContact O-CG 3.46Å; P77-R82 PolarHBondContact O-NE 3.15Å; P77-I85 HydrophobicContact CG-CD1 4.18Å; P77-V111 WeakPolarHBondContact CD-O 3.48Å; P77-K113 HydrophobicContact CG-CB 4.46Å; P77-K113 HydrophobicContact CG-CD 4.41Å; P77-K113 HydrophobicContact CG-CG 4.33Å
78	P	77.1	Confident	65.8	Low	62 Å²	62	81 Å²	81	40%	0.403	42%	0.421	S	S	.	.			trans	-57.9	156.3	169.7	26.1	-34.9	0	0	0	111.4	H80 E81 R82	P78-H80 VanDerWaalsContact C-N 3.31Å; P78-H80 PolarHBondContact O-N 3.09Å; P78-E81 WeakPolarHBondContact CD-OE2 3.16Å; P78-E81 HydrophobicContact CG-CB 3.98Å; P78-E81 PolarHBondContact O-N 3.46Å; P78-R82 PolarHBondContact O-N 3.09Å
79	V	74.8	Confident	68.7	Low	90 Å²	90	73.2 Å²	73.2	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-54	-44.7	-168.9	179.8	0	0	0	0	112.5	E81 R82 T83	V79-E81 VanDerWaalsContact C-N 3.35Å; V79-E81 PolarHBondContact O-N 3.46Å; V79-R82 PolarHBondContact O-N 3Å; V79-T83 PolarHBondContact O-N 3.11Å; V79-T83 PolarHBondContact O-OG1 3Å; V79-T83 VanDerWaalsContact O-OG1 3.1Å
80	H	79.4	Confident	71.5	Confident	127 Å²	127	69.4 Å²	69.4	59%	0.588	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-41	180	59.5	-100.9	0	0	0	112.5	P78 T83 R84	P78-H80 VanDerWaalsContact C-N 3.31Å; P78-H80 PolarHBondContact O-N 3.09Å; H80-T83 PolarHBondContact O-N 3.3Å; H80-R84 WeakPolarHBondContact O-CG 3.42Å; H80-R84 PolarHBondContact O-N 2.66Å
81	E	83	Confident	74.1	Confident	39 Å²	39	66.9 Å²	66.9	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-70.1	-43.4	179.7	-165.8	-169.4	143.7	0	0	110.4	P77 P78 V79 T83 R84 I85 K113	P77-E81 HydrophobicContact CB-CB 3.94Å; P77-E81 HydrophobicContact CB-CG 4.07Å; P78-E81 WeakPolarHBondContact CD-OE2 3.16Å; P78-E81 HydrophobicContact CG-CB 3.98Å; P78-E81 PolarHBondContact O-N 3.46Å; V79-E81 VanDerWaalsContact C-N 3.35Å; V79-E81 PolarHBondContact O-N 3.46Å; E81-T83 PolarHBondContact O-N 2.9Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.1Å; E81-I85 HydrophobicContact CG-CD1 3.96Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.49Å; E81-I85 PolarHBondContact O-N 2.95Å; E81-K113 WeakPolarHBondContact OE1-CD 3.39Å; E81-K113 WeakPolarHBondContact OE1-CE 3.47Å; E81-K113 IonicContact OE1-NZ 2.86Å; E81-K113 PolarHBondContact OE1-NZ 3.4Å
82	R	82.7	Confident	76.7	Confident	84 Å²	84	62 Å²	62	32%	0.317	32%	0.319	S	S	.	.	H	α-helix	trans	-55.1	-39.6	171.2	-69.7	-166.4	-90.1	146.2	-6.5	111.9	P77 P78 V79 A86 V111	P77-R82 HydrophobicContact CB-CG 3.81Å; P77-R82 HydrophobicContact CG-CG 4.06Å; P77-R82 WeakPolarHBondContact O-CD 3.26Å; P77-R82 WeakPolarHBondContact O-CG 3.46Å; P77-R82 PolarHBondContact O-NE 3.15Å; P78-R82 PolarHBondContact O-N 3.09Å; V79-R82 PolarHBondContact O-N 3Å; R82-A86 WeakPolarHBondContact O-CB 3.5Å; R82-A86 PolarHBondContact O-N 2.9Å; R82-V111 HydrophobicContact CB-CB 4.08Å; R82-V111 HydrophobicContact CB-CG2 4.4Å; R82-V111 HydrophobicContact CG-CB 3.91Å; R82-V111 HydrophobicContact CG-CG1 4.44Å
83	T	83	Confident	78.9	Confident	62 Å²	62	58.4 Å²	58.4	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-40.2	175.9	-56.9	0	0	0	0	112.9	V79 H80 E81 A86 K87	V79-T83 PolarHBondContact O-N 3.11Å; V79-T83 PolarHBondContact O-OG1 3Å; V79-T83 VanDerWaalsContact O-OG1 3.1Å; H80-T83 PolarHBondContact O-N 3.3Å; E81-T83 PolarHBondContact O-N 2.9Å; T83-A86 PolarHBondContact O-N 3.15Å; T83-K87 PolarHBondContact O-N 3.38Å
84	R	85.8	Confident	80.8	Confident	140 Å²	140	51 Å²	51	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-52.9	175.1	-67.6	-164.4	-50.3	-150.3	4	111.6	H80 E81 A86 K87 S88 D168	H80-R84 WeakPolarHBondContact O-CG 3.42Å; H80-R84 PolarHBondContact O-N 2.66Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.1Å; R84-A86 VanDerWaalsContact C-N 3.29Å; R84-A86 PolarHBondContact O-N 2.87Å; R84-K87 PolarHBondContact O-N 3.01Å; R84-K87 VanDerWaalsContact O-N 3.14Å; R84-S88 PolarHBondContact O-N 3.37Å; R84-D168 HydrophobicContact CB-CB 4.3Å; R84-D168 IonicContact CZ-OD2 2.69Å; R84-D168 IonicContact NE-OD2 3.15Å; R84-D168 PolarHBondContact NE-OD2 3.22Å; R84-D168 IonicContact NH2-OD2 2.75Å; R84-D168 PolarHBondContact NH2-OD2 3.48Å
85	I	87.8	Confident	82.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-46.8	177	-61.8	162	0	0	0	109.4	P77 E81 K87 S88 V89 V111 K113 V122 D168	P77-I85 HydrophobicContact CG-CD1 4.18Å; E81-I85 HydrophobicContact CG-CD1 3.96Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.49Å; E81-I85 PolarHBondContact O-N 2.95Å; I85-K87 PolarHBondContact O-N 3.41Å; I85-S88 PolarHBondContact O-N 3.03Å; I85-S88 VanDerWaalsContact O-N 3.16Å; I85-V89 HydrophobicContact CG2-CG2 4.13Å; I85-V89 WeakPolarHBondContact O-CB 3.48Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 3.47Å; I85-V111 HydrophobicContact CB-CG1 3.91Å; I85-V111 HydrophobicContact CD1-CG1 3.92Å; I85-V111 HydrophobicContact CG2-CG1 3.56Å; I85-K113 HydrophobicContact CD1-CD 4.26Å; I85-K113 HydrophobicContact CD1-CG 4.49Å; I85-V122 HydrophobicContact CG2-CG1 3.75Å; I85-V122 HydrophobicContact CG2-CG2 4.31Å; I85-D168 HydrophobicContact CG1-CB 3.74Å; I85-D168 VanDerWaalsContact CG1-CG 3.46Å; I85-D168 WeakPolarHBondContact CG1-OD1 3.28Å
86	A	89.7	Confident	82.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-39.4	177.7	0	0	0	0	0	113.3	R82 T83 R84 L90 L105 P108 V111 L126	R82-A86 WeakPolarHBondContact O-CB 3.5Å; R82-A86 PolarHBondContact O-N 2.9Å; T83-A86 PolarHBondContact O-N 3.15Å; R84-A86 VanDerWaalsContact C-N 3.29Å; R84-A86 PolarHBondContact O-N 2.87Å; A86-L90 WeakPolarHBondContact O-CB 3.02Å; A86-L90 PolarHBondContact O-N 3.21Å; A86-L105 HydrophobicContact CB-CD2 3.84Å; A86-P108 HydrophobicContact CB-CB 3.76Å; A86-P108 HydrophobicContact CB-CG 4.3Å; A86-V111 HydrophobicContact CB-CG2 4.2Å; A86-L126 HydrophobicContact CB-CD2 3.77Å
87	K	88.8	Confident	82.9	Confident	74 Å²	74	45 Å²	45	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-40.6	172.7	-82	-147.9	178.6	-149.8	0	112	T83 R84 I85 L90 M91 D144 D145	T83-K87 PolarHBondContact O-N 3.38Å; R84-K87 PolarHBondContact O-N 3.01Å; R84-K87 VanDerWaalsContact O-N 3.14Å; I85-K87 PolarHBondContact O-N 3.41Å; K87-L90 WeakPolarHBondContact O-CB 3.37Å; K87-L90 PolarHBondContact O-N 2.85Å; K87-M91 PolarHBondContact O-N 3.15Å; K87-D144 IonicContact NZ-OD1 2.74Å; K87-D144 PolarHBondContact NZ-OD1 3.44Å; K87-D145 IonicContact NZ-OD1 3.26Å; K87-D145 IonicContact NZ-OD2 3.1Å; K87-D145 PolarHBondContact NZ-OD2 2.87Å; K87-D145 VanDerWaalsContact NZ-OD2 3.13Å
88	S	89.7	Confident	82.6	Confident	31 Å²	31	49.3 Å²	49.3	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-43.8	176.4	-172.7	0	0	0	0	112	R84 I85 M91 A92 D168 K169 V170	R84-S88 PolarHBondContact O-N 3.37Å; I85-S88 PolarHBondContact O-N 3.03Å; I85-S88 VanDerWaalsContact O-N 3.16Å; S88-M91 PolarHBondContact O-N 3.34Å; S88-A92 PolarHBondContact O-N 3.27Å; S88-D168 WeakPolarHBondContact CB-O 3.37Å; S88-D168 PolarHBondContact OG-O 2.83Å; S88-K169 WeakPolarHBondContact OG-CA 3.5Å; S88-V170 PolarHBondContact OG-N 2.96Å
89	V	89.9	Confident	82.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-37.9	175.3	174.7	0	0	0	0	111.4	I85 M91 A92 V93 A124 L126 W160 V170	I85-V89 HydrophobicContact CG2-CG2 4.13Å; I85-V89 WeakPolarHBondContact O-CB 3.48Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 3.47Å; V89-M91 VanDerWaalsContact C-N 3.29Å; V89-M91 PolarHBondContact O-N 3.04Å; V89-A92 PolarHBondContact O-N 2.68Å; V89-V93 HydrophobicContact CG1-CG2 3.86Å; V89-V93 WeakPolarHBondContact O-CB 3.49Å; V89-V93 VanDerWaalsContact O-CG2 3.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.35Å; V89-V93 PolarHBondContact O-N 3.1Å; V89-A124 HydrophobicContact CG1-CB 4.23Å; V89-A124 HydrophobicContact CG2-CB 4.39Å; V89-L126 HydrophobicContact CB-CD1 4.31Å; V89-L126 HydrophobicContact CG1-CD1 3.86Å; V89-L126 HydrophobicContact CG1-CG 4.44Å; V89-W160 HydrophobicContact CB-CD2 4.36Å; V89-W160 HydrophobicContact CB-CE3 4.25Å; V89-W160 HydrophobicContact CG1-CB 3.52Å; V89-W160 HydrophobicContact CG1-CD2 3.54Å; V89-W160 HydrophobicContact CG1-CE3 3.71Å; V89-W160 HydrophobicContact CG1-CG 3.47Å; V89-W160 VanDerWaalsContact CG1-CG 3.47Å; V89-W160 HydrophobicContact CG2-CD2 3.9Å; V89-W160 HydrophobicContact CG2-CE3 3.41Å; V89-W160 VanDerWaalsContact CG2-CE3 3.41Å; V89-W160 HydrophobicContact CG2-CH2 4.04Å; V89-W160 HydrophobicContact CG2-CZ2 4.47Å; V89-W160 HydrophobicContact CG2-CZ3 3.48Å; V89-W160 VanDerWaalsContact CG2-CZ3 3.48Å; V89-V170 HydrophobicContact CG2-CG2 4.04Å
90	L	91.7	Very high	82.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-42.7	175.4	-174.1	75.6	0	0	0	111.9	A86 K87 N94 F102 Y103 L105 L126 M128	A86-L90 WeakPolarHBondContact O-CB 3.02Å; A86-L90 PolarHBondContact O-N 3.21Å; K87-L90 WeakPolarHBondContact O-CB 3.37Å; K87-L90 PolarHBondContact O-N 2.85Å; L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.68Å; L90-N94 PolarHBondContact O-ND2 3.14Å; L90-F102 HydrophobicContact CD2-CE1 4.09Å; L90-F102 HydrophobicContact CD2-CZ 3.76Å; L90-F102 HydrophobicContact CG-CZ 4.02Å; L90-Y103 WeakPolarHBondContact CD1-O 3.44Å; L90-L105 HydrophobicContact CD1-CB 4.05Å; L90-L105 HydrophobicContact CD1-CD1 4.5Å; L90-L105 HydrophobicContact CD2-CB 3.96Å; L90-L126 HydrophobicContact CB-CD1 4.11Å; L90-L126 HydrophobicContact CD1-CD1 4.12Å; L90-M128 HydrophobicContact CD1-CG 3.99Å; L90-M128 HydrophobicContact CD1-SD 3.55Å; L90-M128 VanDerWaalsContact CD1-SD 3.55Å
91	M	88.5	Confident	82.5	Confident	54 Å²	54	51.9 Å²	51.9	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-44.1	177.3	-65.2	-60.9	-166.4	0	0	111.7	K87 S88 V89 S95 F102 V138 G142	K87-M91 PolarHBondContact O-N 3.15Å; S88-M91 PolarHBondContact O-N 3.34Å; V89-M91 VanDerWaalsContact C-N 3.29Å; V89-M91 PolarHBondContact O-N 3.04Å; M91-S95 WeakPolarHBondContact O-CB 3.41Å; M91-S95 PolarHBondContact O-N 2.93Å; M91-F102 HydrophobicContact SD-CE2 3.94Å; M91-F102 HydrophobicContact SD-CZ 4.07Å; M91-V138 HydrophobicContact CE-CG1 3.63Å; M91-V138 HydrophobicContact SD-CG1 3.79Å; M91-G142 WeakPolarHBondContact CE-O 3.45Å
92	A	86.6	Confident	82.7	Confident	22 Å²	22	50.1 Å²	50.1	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-49.3	175.5	0	0	0	0	0	111.5	S88 V89 N94 S95 M96 V170	S88-A92 PolarHBondContact O-N 3.27Å; V89-A92 PolarHBondContact O-N 2.68Å; A92-N94 PolarHBondContact O-N 2.88Å; A92-S95 PolarHBondContact O-N 2.88Å; A92-M96 WeakPolarHBondContact O-CG 3.44Å; A92-M96 PolarHBondContact O-N 2.92Å; A92-V170 HydrophobicContact CB-CB 4.48Å; A92-V170 HydrophobicContact CB-CG1 4.36Å; A92-V170 HydrophobicContact CB-CG2 4.16Å
93	V	84.6	Confident	83	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-45.6	178.6	171.9	0	0	0	0	111.6	V89 S95 M96 L97 M128 C158 W160 V176	V89-V93 HydrophobicContact CG1-CG2 3.86Å; V89-V93 WeakPolarHBondContact O-CB 3.49Å; V89-V93 VanDerWaalsContact O-CG2 3.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.35Å; V89-V93 PolarHBondContact O-N 3.1Å; V93-S95 VanDerWaalsContact C-N 3.33Å; V93-S95 PolarHBondContact O-N 3.01Å; V93-M96 PolarHBondContact O-N 2.8Å; V93-L97 HydrophobicContact CG1-CD1 3.98Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 2.83Å; V93-M128 HydrophobicContact CG1-CE 3.85Å; V93-M128 HydrophobicContact CG1-SD 3.94Å; V93-C158 HydrophobicContact CG1-CB 3.94Å; V93-W160 HydrophobicContact CG2-CB 3.92Å; V93-W160 HydrophobicContact CG2-CG 4.13Å; V93-V176 HydrophobicContact CB-CG2 4.49Å; V93-V176 HydrophobicContact CG1-CG2 4.2Å; V93-V176 HydrophobicContact CG2-CG2 3.88Å
94	N	87.1	Confident	83.3	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-37.8	175.8	-85.1	-83.3	0	0	0	112.2	L90 A92 F102 Y103 T135	L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.68Å; L90-N94 PolarHBondContact O-ND2 3.14Å; A92-N94 PolarHBondContact O-N 2.88Å; N94-F102 HydrophobicContact CB-CD2 3.78Å; N94-F102 HydrophobicContact CB-CE2 3.63Å; N94-F102 VanDerWaalsContact CG-CD2 3.46Å; N94-F102 WeakPolarHBondContact ND2-CE2 3.18Å; N94-F102 WeakPolarHBondContact OD1-CD2 3.35Å; N94-Y103 PolarHBondContact ND2-O 3.41Å; N94-Y103 PolarHBondContact OD1-N 3.01Å; N94-T135 HydrophobicContact CB-CG2 4.36Å
95	S	81.2	Confident	83.5	Confident	54 Å²	54	38.3 Å²	38.3	38%	0.378	20%	0.196	S	C	.	.	H	α-helix	trans	-67.4	-36.5	174.9	-164.8	0	0	0	0	112.7	M91 A92 V93 K139	M91-S95 WeakPolarHBondContact O-CB 3.41Å; M91-S95 PolarHBondContact O-N 2.93Å; A92-S95 PolarHBondContact O-N 2.88Å; V93-S95 VanDerWaalsContact C-N 3.33Å; V93-S95 PolarHBondContact O-N 3.01Å; S95-K139 WeakPolarHBondContact OG-CE 2.95Å; S95-K139 PolarHBondContact OG-NZ 3.22Å
96	M	70.8	Confident	83.2	Confident	73 Å²	73	41 Å²	41	36%	0.36	21%	0.212	S	C	.	.	H	α-helix	trans	-76.5	-28.4	177.5	-68.3	179	82.9	0	0	113.3	A92 V93 N98 T173 V176	A92-M96 WeakPolarHBondContact O-CG 3.44Å; A92-M96 PolarHBondContact O-N 2.92Å; V93-M96 PolarHBondContact O-N 2.8Å; M96-N98 PolarHBondContact O-N 3.37Å; M96-T173 HydrophobicContact CE-CG2 3.76Å; M96-T173 HydrophobicContact SD-CG2 3.68Å; M96-V176 HydrophobicContact CB-CG1 4.23Å; M96-V176 HydrophobicContact CE-CB 4.35Å; M96-V176 HydrophobicContact CE-CG1 3.49Å; M96-V176 VanDerWaalsContact CE-CG1 3.49Å; M96-V176 HydrophobicContact SD-CB 4.26Å; M96-V176 HydrophobicContact SD-CG1 3.82Å
97	L	69.4	Low	82.5	Confident	27 Å²	27	45 Å²	45	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-19.4	174.6	-81.4	171.5	0	0	0	113.1	V93 R99 M128 C178 L192	V93-L97 HydrophobicContact CG1-CD1 3.98Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 2.83Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 HydrophobicContact CB-CG 4.4Å; L97-R99 VanDerWaalsContact O-CG 3.25Å; L97-R99 WeakPolarHBondContact O-CG 3.49Å; L97-R99 PolarHBondContact O-N 2.92Å; L97-M128 HydrophobicContact CD1-CE 3.87Å; L97-C178 HydrophobicContact CD2-CB 4.26Å; L97-L192 HydrophobicContact CD2-CD1 3.92Å
98	N	64	Low	81.7	Confident	93 Å²	93	43.2 Å²	43.2	50%	0.497	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	48.9	176.9	-161.8	15.6	0	0	0	113.7	M96	M96-N98 PolarHBondContact O-N 3.37Å
99	R	66.8	Low	80.7	Confident	111 Å²	111	45.1 Å²	45.1	42%	0.419	24%	0.235	S	C	.	.			trans	-114.7	144.7	177.9	-56.4	-165.1	173.7	-152.6	-9.9	110.9	L97 H101 T135	L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 HydrophobicContact CB-CG 4.4Å; L97-R99 VanDerWaalsContact O-CG 3.25Å; L97-R99 WeakPolarHBondContact O-CG 3.49Å; L97-R99 PolarHBondContact O-N 2.92Å; R99-H101 PolarHBondContact O-N 3.18Å; R99-T135 WeakPolarHBondContact O-CB 3.26Å; R99-T135 PolarHBondContact O-OG1 3.04Å
100	N	77.3	Confident	79.9	Confident	131 Å²	131	47.6 Å²	47.6	70%	0.701	25%	0.245	S	C	*	.	S	Bend	trans	-59	-35.9	177.6	-60.5	19.4	0	0	0	112	T134 T135	N100-T134 CarbonylContact O-C 3.59Å; N100-T134 WeakPolarHBondContact O-CA 3.46Å; N100-T134 WeakPolarHBondContact O-CB 3.34Å; N100-T135 PolarHBondContact O-N 2.96Å
101	H	83.4	Confident	79.4	Confident	90 Å²	90	47.6 Å²	47.6	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.6	-178.8	-59.9	90.7	0	0	0	112.5	R99 Q130 T135	R99-H101 PolarHBondContact O-N 3.18Å; H101-Q130 HydrophobicContact CB-CG 3.99Å; H101-Q130 PolarHBondContact CD2-NE2 2.79Å; H101-Q130 VanDerWaalsContact CG-NE2 3.27Å; H101-T135 PolarHBondContact O-OG1 3.1Å
102	F	88.6	Confident	78.7	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.4	173.5	-171.4	-99.8	0	0	0	111.9	L90 M91 N94 T131 C133 V138 D144	L90-F102 HydrophobicContact CD2-CE1 4.09Å; L90-F102 HydrophobicContact CD2-CZ 3.76Å; L90-F102 HydrophobicContact CG-CZ 4.02Å; M91-F102 HydrophobicContact SD-CE2 3.94Å; M91-F102 HydrophobicContact SD-CZ 4.07Å; N94-F102 HydrophobicContact CB-CD2 3.78Å; N94-F102 HydrophobicContact CB-CE2 3.63Å; N94-F102 VanDerWaalsContact CG-CD2 3.46Å; N94-F102 WeakPolarHBondContact ND2-CE2 3.18Å; N94-F102 WeakPolarHBondContact OD1-CD2 3.35Å; F102-T131 PolarHBondContact O-N 2.78Å; F102-T131 PolarHBondContact O-OG1 2.71Å; F102-C133 HydrophobicContact CB-CB 4.28Å; F102-C133 PolarHBondContact N-O 3.03Å; F102-V138 HydrophobicContact CB-CG2 4.05Å; F102-V138 HydrophobicContact CD1-CB 4.46Å; F102-V138 HydrophobicContact CD1-CG1 4.25Å; F102-V138 HydrophobicContact CD1-CG2 3.94Å; F102-V138 HydrophobicContact CD2-CB 3.87Å; F102-V138 HydrophobicContact CD2-CG1 3.78Å; F102-V138 HydrophobicContact CD2-CG2 4.13Å; F102-V138 HydrophobicContact CE1-CG1 4.01Å; F102-V138 HydrophobicContact CE1-CG2 4.44Å; F102-V138 HydrophobicContact CE2-CB 4.13Å; F102-V138 HydrophobicContact CE2-CG1 3.5Å; F102-V138 VanDerWaalsContact CE2-CG1 3.5Å; F102-V138 HydrophobicContact CG-CB 4.05Å; F102-V138 HydrophobicContact CG-CG1 4.15Å; F102-V138 HydrophobicContact CG-CG2 3.77Å; F102-V138 HydrophobicContact CZ-CG1 3.63Å; F102-D144 HydrophobicContact CD1-CB 4.2Å; F102-D144 HydrophobicContact CE1-CB 3.5Å; F102-D144 HydrophobicContact CZ-CB 4.15Å
103	Y	88.1	Confident	78.3	Confident	8 Å²	8	46 Å²	46	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.9	171.8	-73.1	-112.6	0	0	0	109	L90 N94 M128 R129 Q130 K154 A156	L90-Y103 WeakPolarHBondContact CD1-O 3.44Å; N94-Y103 PolarHBondContact ND2-O 3.41Å; N94-Y103 PolarHBondContact OD1-N 3.01Å; Y103-M128 HydrophobicContact CD1-CB 4.49Å; Y103-M128 HydrophobicContact CG-CE 4.49Å; Y103-R129 WeakPolarHBondContact CA-O 3.47Å; Y103-Q130 HydrophobicContact CD1-CB 4.2Å; Y103-Q130 HydrophobicContact CE1-CB 3.85Å; Y103-Q130 HydrophobicContact CE2-CB 4.34Å; Y103-Q130 HydrophobicContact CE2-CG 4.35Å; Y103-K154 HydrophobicContact CE1-CB 4.3Å; Y103-A156 HydrophobicContact CD1-CB 3.87Å; Y103-A156 HydrophobicContact CE1-CB 3.92Å
104	S	90.3	Very high	77.4	Confident	1 Å²	1	48 Å²	48	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.6	172.7	164.4	0	0	0	0	109.8	K28 V106 M128 R129 T131 D144	K28-S104 PolarHBondContact NZ-OG 2.99Å; S104-V106 PolarHBondContact O-N 3.4Å; S104-M128 CarbonylContact O-C 3.2Å; S104-M128 VanDerWaalsContact O-CA 3.27Å; S104-M128 WeakPolarHBondContact O-CA 3.34Å; S104-R129 PolarHBondContact N-O 3.11Å; S104-R129 PolarHBondContact O-N 3.39Å; S104-T131 VanDerWaalsContact CB-CG2 3.45Å; S104-D144 WeakPolarHBondContact CB-OD2 3.4Å; S104-D144 PolarHBondContact OG-OD2 3.41Å; S104-D144 VanDerWaalsContact OG-OD2 3.1Å
105	L	88.5	Confident	76.2	Confident	29 Å²	29	48.5 Å²	48.5	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.5	169.8	-170	64.5	0	0	0	109.4	A86 L90 L107 P108 L126	A86-L105 HydrophobicContact CB-CD2 3.84Å; L90-L105 HydrophobicContact CD1-CB 4.05Å; L90-L105 HydrophobicContact CD1-CD1 4.5Å; L90-L105 HydrophobicContact CD2-CB 3.96Å; L105-L107 WeakPolarHBondContact CD1-O 3.46Å; L105-P108 HydrophobicContact CD2-CB 4.44Å; L105-P108 HydrophobicContact CD2-CG 4.36Å; L105-L126 HydrophobicContact CD1-CB 3.75Å; L105-L126 HydrophobicContact CD1-CD1 4.4Å; L105-L126 HydrophobicContact CD1-CD2 3.83Å; L105-L126 HydrophobicContact CD1-CG 4.19Å
106	V	82.3	Confident	74.9	Confident	56 Å²	56	54.2 Å²	54.2	34%	0.339	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-52.6	167.1	-179.8	0	0	0	0	108.4	S104 V127 R129 F149 Y155	S104-V106 PolarHBondContact O-N 3.4Å; V106-V127 HydrophobicContact CB-CG1 4.32Å; V106-V127 WeakPolarHBondContact CB-O 3.41Å; V106-V127 PolarHBondContact N-O 2.71Å; V106-R129 HydrophobicContact CG2-CB 3.39Å; V106-F149 HydrophobicContact CG2-CE1 4.22Å; V106-F149 HydrophobicContact CG2-CZ 4.1Å; V106-Y155 HydrophobicContact CG2-CE1 4.32Å
107	L	74.8	Confident	74.2	Confident	84 Å²	84	52.6 Å²	52.6	44%	0.44	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	145	170.5	62.8	93.7	0	0	0	111	L105 E109 V127	L105-L107 WeakPolarHBondContact CD1-O 3.46Å; L107-E109 HydrophobicContact CD1-CB 4.11Å; L107-E109 PolarHBondContact O-N 3.14Å; L107-V127 HydrophobicContact CD1-CB 4.4Å; L107-V127 HydrophobicContact CD1-CG2 4.04Å; L107-V127 HydrophobicContact CG-CB 4.18Å; L107-V127 HydrophobicContact CG-CG2 4.32Å; L107-V127 PolarHBondContact N-O 2.9Å; L107-V127 PolarHBondContact O-N 3.34Å
108	P	72.8	Confident	73.6	Confident	38 Å²	38	59.7 Å²	59.7	25%	0.247	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.8	163.9	30.8	-27.3	0	0	0	108.5	A86 L105 V111 R125 L126	A86-P108 HydrophobicContact CB-CB 3.76Å; A86-P108 HydrophobicContact CB-CG 4.3Å; L105-P108 HydrophobicContact CD2-CB 4.44Å; L105-P108 HydrophobicContact CD2-CG 4.36Å; P108-V111 HydrophobicContact CB-CG2 4.21Å; P108-R125 CarbonylContact C-O 3.57Å; P108-L126 HydrophobicContact CB-CD2 4.29Å
109	E	68.4	Low	73.5	Confident	71 Å²	71	58.1 Å²	58.1	33%	0.332	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-41.6	-177.4	-166	178.1	150.9	0	0	110.6	L107 R125 V127	L107-E109 HydrophobicContact CD1-CB 4.11Å; L107-E109 PolarHBondContact O-N 3.14Å; E109-R125 HydrophobicContact CB-CB 4.26Å; E109-R125 HydrophobicContact CB-CG 4.13Å; E109-R125 PolarHBondContact N-O 3.44Å; E109-R125 IonicContact OE1-CZ 3.68Å; E109-R125 IonicContact OE1-NE 3.63Å; E109-R125 PolarHBondContact OE1-NE 2.79Å; E109-R125 VanDerWaalsContact OE1-NE 3.1Å; E109-R125 IonicContact OE1-NH2 3.45Å; E109-R125 PolarHBondContact OE1-NH2 3.12Å; E109-R125 IonicContact OE2-CZ 3.51Å; E109-R125 IonicContact OE2-NE 2.72Å; E109-R125 PolarHBondContact OE2-NE 3.3Å; E109-R125 IonicContact OE2-NH2 2.79Å; E109-R125 PolarHBondContact OE2-NH2 3.06Å; E109-V127 HydrophobicContact CB-CG2 4.38Å
110	Y	73.2	Confident	73.8	Confident	51 Å²	51	54.2 Å²	54.2	20%	0.2	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	158.4	160.3	53.3	-102	0	0	0	111.1	F47 V112 L123 A124 R125	F47-Y110 WeakPolarHBondContact CZ-OH 3.43Å; Y110-V112 HydrophobicContact CD2-CG2 4.28Å; Y110-L123 HydrophobicContact CE2-CD2 4.3Å; Y110-L123 HydrophobicContact CE2-CG 4Å; Y110-A124 CarbonylContact O-C 3.59Å; Y110-A124 WeakPolarHBondContact O-CA 3.48Å; Y110-R125 HydrophobicContact CD1-CB 4.05Å; Y110-R125 HydrophobicContact CD2-CB 4.01Å; Y110-R125 HydrophobicContact CE1-CB 3.75Å; Y110-R125 HydrophobicContact CE1-CG 4.31Å; Y110-R125 HydrophobicContact CE2-CB 3.65Å; Y110-R125 HydrophobicContact CG-CB 4.2Å; Y110-R125 PolarHBondContact N-O 3.15Å; Y110-R125 PolarHBondContact O-N 3.1Å
111	V	80.2	Confident	73.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130	166.4	176.2	0	0	0	0	106.7	P77 R82 I85 A86 P108 V122 L123 A124	P77-V111 WeakPolarHBondContact CD-O 3.48Å; R82-V111 HydrophobicContact CB-CB 4.08Å; R82-V111 HydrophobicContact CB-CG2 4.4Å; R82-V111 HydrophobicContact CG-CB 3.91Å; R82-V111 HydrophobicContact CG-CG1 4.44Å; I85-V111 HydrophobicContact CB-CG1 3.91Å; I85-V111 HydrophobicContact CD1-CG1 3.92Å; I85-V111 HydrophobicContact CG2-CG1 3.56Å; A86-V111 HydrophobicContact CB-CG2 4.2Å; P108-V111 HydrophobicContact CB-CG2 4.21Å; V111-V122 HydrophobicContact CG1-CG1 4.17Å; V111-L123 WeakPolarHBondContact CA-O 3.49Å; V111-A124 HydrophobicContact CG1-CB 4.48Å; V111-A124 HydrophobicContact CG2-CB 3.93Å
112	V	75.4	Confident	73.8	Confident	22 Å²	22	45.9 Å²	45.9	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.3	-171.7	-176.9	0	0	0	0	108.9	T74 Y110 V122 L123	T74-V112 HydrophobicContact CG2-CG1 3.27Å; Y110-V112 HydrophobicContact CD2-CG2 4.28Å; V112-V122 WeakPolarHBondContact O-CA 3.46Å; V112-L123 PolarHBondContact N-O 2.97Å; V112-L123 PolarHBondContact O-N 3.42Å
113	K	77	Confident	73.1	Confident	21 Å²	21	47.3 Å²	47.3	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137	172.2	-88	179.6	171	169.7	0	110.6	V75 P77 E81 I85 D120 V122 D168	V75-K113 PolarHBondContact N-O 2.95Å; V75-K113 PolarHBondContact O-N 2.8Å; P77-K113 HydrophobicContact CG-CB 4.46Å; P77-K113 HydrophobicContact CG-CD 4.41Å; P77-K113 HydrophobicContact CG-CG 4.33Å; E81-K113 WeakPolarHBondContact OE1-CD 3.39Å; E81-K113 WeakPolarHBondContact OE1-CE 3.47Å; E81-K113 IonicContact OE1-NZ 2.86Å; E81-K113 PolarHBondContact OE1-NZ 3.4Å; I85-K113 HydrophobicContact CD1-CD 4.26Å; I85-K113 HydrophobicContact CD1-CG 4.49Å; K113-D120 HydrophobicContact CD-CB 4.19Å; K113-D120 HydrophobicContact CG-CB 4.18Å; K113-V122 HydrophobicContact CD-CG2 4.5Å; K113-V122 HydrophobicContact CG-CG2 3.57Å; K113-D168 IonicContact NZ-OD1 2.71Å; K113-D168 PolarHBondContact NZ-OD1 3.25Å
114	C	66.8	Low	72.7	Confident	40 Å²	40	47 Å²	47	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	79.5	179.2	-71	0	0	0	0	108.6	T121	C114-T121 WeakPolarHBondContact CB-O 3.24Å; C114-T121 PolarHBondContact N-O 3.4Å
115	G	60.2	Low	72.1	Confident	15 Å²	15	48.9 Å²	48.9	16%	0.155	26%	0.256	C	S	.	.			trans	176.2	-177.3	-177.1	0	0	0	0	0	114.1	D120	G115-D120 WeakPolarHBondContact CA-OD1 3.41Å
116	R	54.7	Low	71.8	Confident	173 Å²	173	47.5 Å²	47.5	65%	0.653	25%	0.249	S	C	*	.	S	Bend	trans	-152.7	29.7	166.5	-71.3	-171.6	169.4	178.2	-3.3	108.5	D120	R116-D120 PolarHBondContact N-OD1 2.98Å
117	G	56.4	Low	71.6	Confident	39 Å²	39	46.1 Å²	46.1	40%	0.402	24%	0.24	S	C	.	.	S	Bend	trans	-94.5	-175.1	-164.2	0	0	0	0	0	113.4	D120	G117-D120 PolarHBondContact N-OD1 2.94Å
118	K	55.7	Low	72.1	Confident	177 Å²	177	42.1 Å²	42.1	77%	0.77	22%	0.219	S	C	*	.	S	Bend	trans	-72.2	-20.1	157.9	-69.7	-175.6	177.3	-179.1	0	112.1	N166	K118-N166 PolarHBondContact O-OD1 3.43Å
119	S	62.1	Low	72.7	Confident	59 Å²	59	42.5 Å²	42.5	41%	0.413	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	113.2	177.9	50.8	0	0	0	0	108.3	V164 E171	S119-V164 WeakPolarHBondContact CA-O 3.09Å; S119-E171 WeakPolarHBondContact CB-OE2 3.23Å
120	D	73.2	Confident	73.4	Confident	29 Å²	29	39.8 Å²	39.8	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.4	179.6	-86.8	-13.8	0	0	0	109.9	K113 G115 R116 G117 V122 S163 V164	K113-D120 HydrophobicContact CD-CB 4.19Å; K113-D120 HydrophobicContact CG-CB 4.18Å; G115-D120 WeakPolarHBondContact CA-OD1 3.41Å; R116-D120 PolarHBondContact N-OD1 2.98Å; G117-D120 PolarHBondContact N-OD1 2.94Å; D120-V122 PolarHBondContact O-N 3.3Å; D120-S163 WeakPolarHBondContact O-CA 3.5Å; D120-V164 PolarHBondContact N-O 2.84Å; D120-V164 PolarHBondContact O-N 3.31Å
121	T	78.8	Confident	74.2	Confident	47 Å²	47	37.4 Å²	37.4	29%	0.288	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	119.6	172.1	-65.5	0	0	0	0	108.8	C114 G162 Y174	C114-T121 WeakPolarHBondContact CB-O 3.24Å; C114-T121 PolarHBondContact N-O 3.4Å; T121-G162 CarbonylContact C-O 3.35Å; T121-G162 VanDerWaalsContact CA-O 3.3Å; T121-G162 WeakPolarHBondContact CA-O 3.38Å; T121-Y174 HydrophobicContact CG2-CD2 4.44Å; T121-Y174 HydrophobicContact CG2-CE2 4.09Å
122	V	81.8	Confident	74.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142	178.3	165.1	0	0	0	0	110.1	I85 V111 V112 K113 D120 A124 W160 Q161 G162 V164	I85-V122 HydrophobicContact CG2-CG1 3.75Å; I85-V122 HydrophobicContact CG2-CG2 4.31Å; V111-V122 HydrophobicContact CG1-CG1 4.17Å; V112-V122 WeakPolarHBondContact O-CA 3.46Å; K113-V122 HydrophobicContact CD-CG2 4.5Å; K113-V122 HydrophobicContact CG-CG2 3.57Å; D120-V122 PolarHBondContact O-N 3.3Å; V122-A124 HydrophobicContact CG1-CB 4.2Å; V122-W160 HydrophobicContact CB-CZ3 3.81Å; V122-W160 HydrophobicContact CG1-CE3 4.23Å; V122-W160 HydrophobicContact CG1-CZ3 3.67Å; V122-Q161 WeakPolarHBondContact O-CA 3.41Å; V122-G162 PolarHBondContact N-O 2.91Å; V122-G162 PolarHBondContact O-N 3.45Å; V122-G162 VanDerWaalsContact O-N 3.08Å; V122-V164 HydrophobicContact CB-CG1 4.34Å; V122-V164 HydrophobicContact CG2-CB 4.46Å; V122-V164 HydrophobicContact CG2-CG1 4.05Å; V122-V164 HydrophobicContact CG2-CG2 3.62Å
123	L	74.1	Confident	75.4	Confident	32 Å²	32	40.9 Å²	40.9	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120	162.5	174.5	57.6	0	0	0	108.4	Y110 V111 V112 T159 W160 Q161 L206	Y110-L123 HydrophobicContact CE2-CD2 4.3Å; Y110-L123 HydrophobicContact CE2-CG 4Å; V111-L123 WeakPolarHBondContact CA-O 3.49Å; V112-L123 PolarHBondContact N-O 2.97Å; V112-L123 PolarHBondContact O-N 3.42Å; L123-T159 HydrophobicContact CD1-CG2 3.61Å; L123-W160 WeakPolarHBondContact CD1-O 3.37Å; L123-Q161 HydrophobicContact CD1-CB 4.36Å; L123-L206 HydrophobicContact CD1-CD1 3.35Å; L123-L206 HydrophobicContact CD2-CD1 3.8Å; L123-L206 HydrophobicContact CG-CD1 4.15Å
124	A	79.7	Confident	76	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.1	-178.9	0	0	0	0	0	110.6	V89 Y110 V111 V122 T159 W160	V89-A124 HydrophobicContact CG1-CB 4.23Å; V89-A124 HydrophobicContact CG2-CB 4.39Å; Y110-A124 CarbonylContact O-C 3.59Å; Y110-A124 WeakPolarHBondContact O-CA 3.48Å; V111-A124 HydrophobicContact CG1-CB 4.48Å; V111-A124 HydrophobicContact CG2-CB 3.93Å; V122-A124 HydrophobicContact CG1-CB 4.2Å; A124-T159 CarbonylContact O-C 3.49Å; A124-T159 WeakPolarHBondContact O-CA 3.44Å; A124-W160 HydrophobicContact CB-CE3 4.35Å; A124-W160 PolarHBondContact N-O 2.91Å; A124-W160 PolarHBondContact O-N 2.96Å
125	R	77.7	Confident	76.9	Confident	41 Å²	41	41 Å²	41	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122	169.4	-174.7	166.8	156.2	163.9	-29.1	109.8	P108 E109 Y110 T157 C158 T159	P108-R125 CarbonylContact C-O 3.57Å; E109-R125 HydrophobicContact CB-CB 4.26Å; E109-R125 HydrophobicContact CB-CG 4.13Å; E109-R125 PolarHBondContact N-O 3.44Å; E109-R125 IonicContact OE1-CZ 3.68Å; E109-R125 IonicContact OE1-NE 3.63Å; E109-R125 PolarHBondContact OE1-NE 2.79Å; E109-R125 VanDerWaalsContact OE1-NE 3.1Å; E109-R125 IonicContact OE1-NH2 3.45Å; E109-R125 PolarHBondContact OE1-NH2 3.12Å; E109-R125 IonicContact OE2-CZ 3.51Å; E109-R125 IonicContact OE2-NE 2.72Å; E109-R125 PolarHBondContact OE2-NE 3.3Å; E109-R125 IonicContact OE2-NH2 2.79Å; E109-R125 PolarHBondContact OE2-NH2 3.06Å; Y110-R125 HydrophobicContact CD1-CB 4.05Å; Y110-R125 HydrophobicContact CD2-CB 4.01Å; Y110-R125 HydrophobicContact CE1-CB 3.75Å; Y110-R125 HydrophobicContact CE1-CG 4.31Å; Y110-R125 HydrophobicContact CE2-CB 3.65Å; Y110-R125 HydrophobicContact CG-CB 4.2Å; Y110-R125 PolarHBondContact N-O 3.15Å; Y110-R125 PolarHBondContact O-N 3.1Å; R125-T157 HydrophobicContact CG-CG2 4.23Å; R125-C158 CarbonylContact C-O 3.46Å; R125-C158 VanDerWaalsContact CA-O 3.29Å; R125-C158 WeakPolarHBondContact CA-O 3.49Å; R125-T159 HydrophobicContact CB-CG2 4.28Å; R125-T159 WeakPolarHBondContact CD-OG1 3.21Å
126	L	82.2	Confident	78.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	-172.5	-52.6	-172.8	0	0	0	109.3	A86 V89 L90 L105 P108 M128 T157 C158	A86-L126 HydrophobicContact CB-CD2 3.77Å; V89-L126 HydrophobicContact CB-CD1 4.31Å; V89-L126 HydrophobicContact CG1-CD1 3.86Å; V89-L126 HydrophobicContact CG1-CG 4.44Å; L90-L126 HydrophobicContact CB-CD1 4.11Å; L90-L126 HydrophobicContact CD1-CD1 4.12Å; L105-L126 HydrophobicContact CD1-CB 3.75Å; L105-L126 HydrophobicContact CD1-CD1 4.4Å; L105-L126 HydrophobicContact CD1-CD2 3.83Å; L105-L126 HydrophobicContact CD1-CG 4.19Å; P108-L126 HydrophobicContact CB-CD2 4.29Å; L126-M128 HydrophobicContact CB-CG 3.81Å; L126-M128 HydrophobicContact CB-SD 4.1Å; L126-M128 HydrophobicContact CD1-SD 4.27Å; L126-T157 CarbonylContact O-C 3.45Å; L126-T157 WeakPolarHBondContact O-CA 3.24Å; L126-C158 PolarHBondContact N-O 3.46Å; L126-C158 PolarHBondContact O-N 3.46Å
127	V	78.9	Confident	79.7	Confident	27 Å²	27	41.8 Å²	41.8	16%	0.164	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.6	162.3	-176.5	0	0	0	0	107	V106 L107 E109 T157	V106-V127 HydrophobicContact CB-CG1 4.32Å; V106-V127 WeakPolarHBondContact CB-O 3.41Å; V106-V127 PolarHBondContact N-O 2.71Å; L107-V127 HydrophobicContact CD1-CB 4.4Å; L107-V127 HydrophobicContact CD1-CG2 4.04Å; L107-V127 HydrophobicContact CG-CB 4.18Å; L107-V127 HydrophobicContact CG-CG2 4.32Å; L107-V127 PolarHBondContact N-O 2.9Å; L107-V127 PolarHBondContact O-N 3.34Å; E109-V127 HydrophobicContact CB-CG2 4.38Å; V127-T157 HydrophobicContact CG2-CG2 4.34Å
128	M	85.4	Confident	81.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.6	-171	-37.1	-178.1	-51.5	0	0	110.2	L90 V93 L97 Y103 S104 L126 Y155 A156 C158	L90-M128 HydrophobicContact CD1-CG 3.99Å; L90-M128 HydrophobicContact CD1-SD 3.55Å; L90-M128 VanDerWaalsContact CD1-SD 3.55Å; V93-M128 HydrophobicContact CG1-CE 3.85Å; V93-M128 HydrophobicContact CG1-SD 3.94Å; L97-M128 HydrophobicContact CD1-CE 3.87Å; Y103-M128 HydrophobicContact CD1-CB 4.49Å; Y103-M128 HydrophobicContact CG-CE 4.49Å; S104-M128 CarbonylContact O-C 3.2Å; S104-M128 VanDerWaalsContact O-CA 3.27Å; S104-M128 WeakPolarHBondContact O-CA 3.34Å; L126-M128 HydrophobicContact CB-CG 3.81Å; L126-M128 HydrophobicContact CB-SD 4.1Å; L126-M128 HydrophobicContact CD1-SD 4.27Å; M128-Y155 WeakPolarHBondContact O-CA 3.37Å; M128-A156 WeakPolarHBondContact CA-O 3.3Å; M128-A156 WeakPolarHBondContact CB-O 3.27Å; M128-A156 HydrophobicContact CE-CB 3.87Å; M128-A156 PolarHBondContact N-O 2.86Å; M128-A156 PolarHBondContact O-N 2.92Å; M128-C158 HydrophobicContact CE-CB 4.26Å; M128-C158 WeakPolarHBondContact CE-SG 3.41Å
129	R	84.7	Confident	82.7	Confident	47 Å²	47	36.6 Å²	36.6	18%	0.177	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.9	-178	177.2	-180	176.3	171.8	-3.8	109.7	Y103 S104 V106 F149 L150 T153 Y155	Y103-R129 WeakPolarHBondContact CA-O 3.47Å; S104-R129 PolarHBondContact N-O 3.11Å; S104-R129 PolarHBondContact O-N 3.39Å; V106-R129 HydrophobicContact CG2-CB 3.39Å; R129-F149 HydrophobicContact CB-CD1 3.69Å; R129-F149 HydrophobicContact CB-CE1 3.65Å; R129-F149 HydrophobicContact CG-CB 4.35Å; R129-F149 HydrophobicContact CG-CD1 3.58Å; R129-F149 HydrophobicContact CG-CE1 4.08Å; R129-F149 HydrophobicContact CG-CG 4.12Å; R129-L150 PolarHBondContact NH2-O 3.09Å; R129-T153 HydrophobicContact CG-CG2 3.94Å; R129-T153 WeakPolarHBondContact CG-OG1 3.27Å; R129-T153 PolarHBondContact NE-OG1 3.4Å; R129-T153 PolarHBondContact NH2-OG1 3.16Å; R129-Y155 HydrophobicContact CB-CD1 4.07Å; R129-Y155 HydrophobicContact CB-CE1 4.04Å; R129-Y155 HydrophobicContact CG-CD1 4.38Å; R129-Y155 HydrophobicContact CG-CE1 4.12Å; R129-Y155 PolarHBondContact NH1-OH 3.49Å
130	Q	83.7	Confident	83.9	Confident	14 Å²	14	40.3 Å²	40.3	7%	0.065	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	141.8	-178.2	-174.6	-176	-12.9	0	0	111.2	H101 Y103 L150 T153 K154	H101-Q130 HydrophobicContact CB-CG 3.99Å; H101-Q130 PolarHBondContact CD2-NE2 2.79Å; H101-Q130 VanDerWaalsContact CG-NE2 3.27Å; Y103-Q130 HydrophobicContact CD1-CB 4.2Å; Y103-Q130 HydrophobicContact CE1-CB 3.85Å; Y103-Q130 HydrophobicContact CE2-CB 4.34Å; Y103-Q130 HydrophobicContact CE2-CG 4.35Å; Q130-L150 HydrophobicContact CG-CD1 4.43Å; Q130-T153 HydrophobicContact CB-CG2 4.17Å; Q130-T153 WeakPolarHBondContact O-CG2 3.44Å; Q130-K154 HydrophobicContact CB-CB 4.25Å; Q130-K154 PolarHBondContact N-O 3.49Å; Q130-K154 VanDerWaalsContact OE1-CD 3.31Å
131	T	90	Very high	84.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	175.3	177.7	65.1	0	0	0	0	112.4	F102 S104 C133 C147 F148 F149	F102-T131 PolarHBondContact O-N 2.78Å; F102-T131 PolarHBondContact O-OG1 2.71Å; S104-T131 VanDerWaalsContact CB-CG2 3.45Å; T131-C133 VanDerWaalsContact C-N 3.28Å; T131-C133 PolarHBondContact OG1-N 3.25Å; T131-C147 HydrophobicContact CG2-CB 3.91Å; T131-F148 CarbonylContact C-O 3.53Å; T131-F148 WeakPolarHBondContact CA-O 3.39Å; T131-F148 VanDerWaalsContact CB-O 3.29Å; T131-F148 WeakPolarHBondContact CB-O 3.44Å; T131-F149 HydrophobicContact CG2-CD1 4.09Å; T131-F149 HydrophobicContact CG2-CE1 4.46Å
132	N	89.5	Confident	85	Confident	82 Å²	82	44.2 Å²	44.2	44%	0.439	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-13	167.7	70.8	-37.8	0	0	0	114	F148 L150	N132-F148 PolarHBondContact N-O 3.11Å; N132-F148 PolarHBondContact OD1-N 2.82Å; N132-F148 PolarHBondContact OD1-O 3.41Å; N132-L150 HydrophobicContact CB-CD2 3.76Å
133	C	90.6	Very high	85.1	Confident	15 Å²	15	46.4 Å²	46.4	10%	0.101	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	152.2	179.1	-72	0	0	0	0	112.6	F102 T131 V138 C147	F102-C133 HydrophobicContact CB-CB 4.28Å; F102-C133 PolarHBondContact N-O 3.03Å; T131-C133 VanDerWaalsContact C-N 3.28Å; T131-C133 PolarHBondContact OG1-N 3.25Å; C133-V138 HydrophobicContact CB-CG2 3.79Å; C133-C147 HydrophobicContact CB-CB 3.83Å; C133-C147 WeakPolarHBondContact CB-SG 2.97Å; C133-C147 WeakPolarHBondContact SG-CA 3.33Å; C133-C147 WeakPolarHBondContact SG-CB 3.44Å; C133-C147 CovalentContact SG-SG 2.03Å; C133-C147 PolarHBondContact SG-SG 3.41Å
134	T	89.8	Confident	85.8	Confident	51 Å²	51	45.1 Å²	45.1	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	154.6	164.5	75.9	0	0	0	0	111.9	N100 Q136 Q137 V138	N100-T134 CarbonylContact O-C 3.59Å; N100-T134 WeakPolarHBondContact O-CA 3.46Å; N100-T134 WeakPolarHBondContact O-CB 3.34Å; T134-Q136 PolarHBondContact O-N 3.26Å; T134-Q136 PolarHBondContact OG1-N 3.4Å; T134-Q137 PolarHBondContact O-N 3.05Å; T134-Q137 VanDerWaalsContact OG1-CG 3.29Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.4Å; T134-Q137 PolarHBondContact OG1-N 3.43Å; T134-Q137 VanDerWaalsContact OG1-N 3.08Å; T134-Q137 PolarHBondContact OG1-OE1 3.16Å; T134-V138 PolarHBondContact O-N 3.35Å
135	T	85.2	Confident	86.1	Confident	14 Å²	14	47.9 Å²	47.9	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-27.7	173.8	-57.6	0	0	0	0	111.8	N94 R99 N100 H101 K139	N94-T135 HydrophobicContact CB-CG2 4.36Å; R99-T135 WeakPolarHBondContact O-CB 3.26Å; R99-T135 PolarHBondContact O-OG1 3.04Å; N100-T135 PolarHBondContact O-N 2.96Å; H101-T135 PolarHBondContact O-OG1 3.1Å; T135-K139 HydrophobicContact CG2-CD 4.48Å; T135-K139 VanDerWaalsContact O-CG 3.27Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.9Å
136	Q	85.9	Confident	86.5	Confident	103 Å²	103	49.5 Å²	49.5	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-75.4	-46.7	177.6	-174	61	16.8	0	0	111.9	T134 V138 K139 E140	T134-Q136 PolarHBondContact O-N 3.26Å; T134-Q136 PolarHBondContact OG1-N 3.4Å; Q136-V138 VanDerWaalsContact C-N 3.25Å; Q136-V138 PolarHBondContact O-N 3Å; Q136-K139 WeakPolarHBondContact O-CB 3.38Å; Q136-K139 PolarHBondContact O-N 3.49Å; Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 VanDerWaalsContact CG-OE1 3.32Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q136-E140 PolarHBondContact NE2-OE1 3.11Å; Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.27Å
137	Q	88.8	Confident	86.9	Confident	101 Å²	101	49.8 Å²	49.8	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-54.8	-42.1	175.8	-75.7	165.3	-22.8	0	0	112	T134 E140 K141	T134-Q137 PolarHBondContact O-N 3.05Å; T134-Q137 VanDerWaalsContact OG1-CG 3.29Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.4Å; T134-Q137 PolarHBondContact OG1-N 3.43Å; T134-Q137 VanDerWaalsContact OG1-N 3.08Å; T134-Q137 PolarHBondContact OG1-OE1 3.16Å; Q137-E140 PolarHBondContact O-N 3.42Å; Q137-K141 WeakPolarHBondContact O-CB 3.2Å; Q137-K141 PolarHBondContact O-N 3.24Å
138	V	89.9	Confident	87.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-73.1	-32.4	179.1	174.3	0	0	0	0	112.4	M91 F102 C133 T134 Q136 G142 D144 C147	M91-V138 HydrophobicContact CE-CG1 3.63Å; M91-V138 HydrophobicContact SD-CG1 3.79Å; F102-V138 HydrophobicContact CB-CG2 4.05Å; F102-V138 HydrophobicContact CD1-CB 4.46Å; F102-V138 HydrophobicContact CD1-CG1 4.25Å; F102-V138 HydrophobicContact CD1-CG2 3.94Å; F102-V138 HydrophobicContact CD2-CB 3.87Å; F102-V138 HydrophobicContact CD2-CG1 3.78Å; F102-V138 HydrophobicContact CD2-CG2 4.13Å; F102-V138 HydrophobicContact CE1-CG1 4.01Å; F102-V138 HydrophobicContact CE1-CG2 4.44Å; F102-V138 HydrophobicContact CE2-CB 4.13Å; F102-V138 HydrophobicContact CE2-CG1 3.5Å; F102-V138 VanDerWaalsContact CE2-CG1 3.5Å; F102-V138 HydrophobicContact CG-CB 4.05Å; F102-V138 HydrophobicContact CG-CG1 4.15Å; F102-V138 HydrophobicContact CG-CG2 3.77Å; F102-V138 HydrophobicContact CZ-CG1 3.63Å; C133-V138 HydrophobicContact CB-CG2 3.79Å; T134-V138 PolarHBondContact O-N 3.35Å; Q136-V138 VanDerWaalsContact C-N 3.25Å; Q136-V138 PolarHBondContact O-N 3Å; V138-G142 WeakPolarHBondContact O-CA 3.25Å; V138-G142 PolarHBondContact O-N 3.19Å; V138-D144 HydrophobicContact CG1-CB 4.17Å; V138-C147 WeakPolarHBondContact CG2-SG 3.44Å
139	K	85.3	Confident	87.4	Confident	105 Å²	105	55.3 Å²	55.3	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-41.3	171.2	-80.9	174.4	173.3	-173.5	0	112.3	S95 T135 Q136	S95-K139 WeakPolarHBondContact OG-CE 2.95Å; S95-K139 PolarHBondContact OG-NZ 3.22Å; T135-K139 HydrophobicContact CG2-CD 4.48Å; T135-K139 VanDerWaalsContact O-CG 3.27Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.9Å; Q136-K139 WeakPolarHBondContact O-CB 3.38Å; Q136-K139 PolarHBondContact O-N 3.49Å
140	E	87.5	Confident	87.1	Confident	138 Å²	138	56.2 Å²	56.2	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-71	-41.4	-179.9	-72.3	165.6	175.6	0	0	112	Q136 Q137	Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 VanDerWaalsContact CG-OE1 3.32Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q136-E140 PolarHBondContact NE2-OE1 3.11Å; Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.27Å; Q137-E140 PolarHBondContact O-N 3.42Å
141	K	88	Confident	86.3	Confident	104 Å²	104	61.3 Å²	61.3	45%	0.452	32%	0.321	S	S	.	.	H	α-helix	trans	-73.7	-34.9	176.1	-163.5	-172.4	178.1	-150.2	0	112.8	Q137 D143 D146	Q137-K141 WeakPolarHBondContact O-CB 3.2Å; Q137-K141 PolarHBondContact O-N 3.24Å; K141-D143 VanDerWaalsContact C-N 3.29Å; K141-D143 WeakPolarHBondContact CD-OD2 3.49Å; K141-D143 WeakPolarHBondContact CE-OD1 3.26Å; K141-D143 WeakPolarHBondContact CE-OD2 3.38Å; K141-D143 IonicContact NZ-OD1 2.91Å; K141-D143 PolarHBondContact NZ-OD1 3.47Å; K141-D143 IonicContact NZ-OD2 2.67Å; K141-D143 PolarHBondContact NZ-OD2 3.42Å; K141-D146 IonicContact NZ-OD2 3.21Å; K141-D146 PolarHBondContact NZ-OD2 3.37Å
142	G	85.3	Confident	85	Confident	53 Å²	53	69.9 Å²	69.9	55%	0.546	36%	0.361	S	S	.	.	S	Bend	trans	83.5	-5.3	-173.6	0	0	0	0	0	114.9	M91 V138	M91-G142 WeakPolarHBondContact CE-O 3.45Å; V138-G142 WeakPolarHBondContact O-CA 3.25Å; V138-G142 PolarHBondContact O-N 3.19Å
143	D	85.7	Confident	83.7	Confident	47 Å²	47	67 Å²	67	25%	0.251	35%	0.346	S	S	.	.			trans	-137.2	164.8	175.2	81.4	68	0	0	0	112.8	K141 D145	K141-D143 VanDerWaalsContact C-N 3.29Å; K141-D143 WeakPolarHBondContact CD-OD2 3.49Å; K141-D143 WeakPolarHBondContact CE-OD1 3.26Å; K141-D143 WeakPolarHBondContact CE-OD2 3.38Å; K141-D143 IonicContact NZ-OD1 2.91Å; K141-D143 PolarHBondContact NZ-OD1 3.47Å; K141-D143 IonicContact NZ-OD2 2.67Å; K141-D143 PolarHBondContact NZ-OD2 3.42Å; D143-D145 WeakPolarHBondContact OD1-CB 3.4Å; D143-D145 PolarHBondContact OD1-N 2.99Å
144	D	88.5	Confident	82.5	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	36%	0.36	C	S	.	.			trans	-115.4	18	-179.2	73.8	-45.5	0	0	0	113.2	K28 K87 F102 S104 V138 D146 C147	K28-D144 WeakPolarHBondContact CE-O 3.41Å; K28-D144 VanDerWaalsContact NZ-CG 3.31Å; K28-D144 PolarHBondContact NZ-O 3.47Å; K28-D144 IonicContact NZ-OD1 3.55Å; K28-D144 IonicContact NZ-OD2 3.64Å; K28-D144 PolarHBondContact NZ-OD2 2.89Å; K87-D144 IonicContact NZ-OD1 2.74Å; K87-D144 PolarHBondContact NZ-OD1 3.44Å; F102-D144 HydrophobicContact CD1-CB 4.2Å; F102-D144 HydrophobicContact CE1-CB 3.5Å; F102-D144 HydrophobicContact CZ-CB 4.15Å; S104-D144 WeakPolarHBondContact CB-OD2 3.4Å; S104-D144 PolarHBondContact OG-OD2 3.41Å; S104-D144 VanDerWaalsContact OG-OD2 3.1Å; V138-D144 HydrophobicContact CG1-CB 4.17Å; D144-D146 PolarHBondContact O-N 3.04Å; D144-C147 VanDerWaalsContact O-CB 3.3Å; D144-C147 WeakPolarHBondContact O-CB 3.48Å; D144-C147 PolarHBondContact O-N 3.07Å; D144-C147 VanDerWaalsContact O-N 3.17Å
145	D	85.3	Confident	81.6	Confident	59 Å²	59	72.1 Å²	72.1	32%	0.316	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13	-166.5	-79.9	-58.8	0	0	0	114.7	N25 K87 D143	N25-D145 PolarHBondContact ND2-O 3.2Å; N25-D145 PolarHBondContact ND2-OD1 3.25Å; K87-D145 IonicContact NZ-OD1 3.26Å; K87-D145 IonicContact NZ-OD2 3.1Å; K87-D145 PolarHBondContact NZ-OD2 2.87Å; K87-D145 VanDerWaalsContact NZ-OD2 3.13Å; D143-D145 WeakPolarHBondContact OD1-CB 3.4Å; D143-D145 PolarHBondContact OD1-N 2.99Å
146	D	87.3	Confident	80.9	Confident	75 Å²	75	71.7 Å²	71.7	40%	0.401	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.4	167.1	-67.1	-57.4	0	0	0	113.5	K27 K141 D144 F148	K27-D146 IonicContact NZ-OD1 3.35Å; K27-D146 PolarHBondContact NZ-OD1 3.34Å; K141-D146 IonicContact NZ-OD2 3.21Å; K141-D146 PolarHBondContact NZ-OD2 3.37Å; D144-D146 PolarHBondContact O-N 3.04Å; D146-F148 WeakPolarHBondContact O-CD2 3.47Å; D146-F148 VanDerWaalsContact O-CE2 3.27Å; D146-F148 WeakPolarHBondContact O-CE2 3.44Å; D146-F148 PolarHBondContact O-N 2.94Å
147	C	89.3	Confident	80.1	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.034	34%	0.339	C	S	.	.			trans	-86.1	114.6	-179.2	-57.3	0	0	0	0	111.1	K28 T131 C133 V138 D144	K28-C147 WeakPolarHBondContact CE-O 3.37Å; T131-C147 HydrophobicContact CG2-CB 3.91Å; C133-C147 HydrophobicContact CB-CB 3.83Å; C133-C147 WeakPolarHBondContact CB-SG 2.97Å; C133-C147 WeakPolarHBondContact SG-CA 3.33Å; C133-C147 WeakPolarHBondContact SG-CB 3.44Å; C133-C147 CovalentContact SG-SG 2.03Å; C133-C147 PolarHBondContact SG-SG 3.41Å; V138-C147 WeakPolarHBondContact CG2-SG 3.44Å; D144-C147 VanDerWaalsContact O-CB 3.3Å; D144-C147 WeakPolarHBondContact O-CB 3.48Å; D144-C147 PolarHBondContact O-N 3.07Å; D144-C147 VanDerWaalsContact O-N 3.17Å
148	F	87.8	Confident	79.3	Confident	97 Å²	97	62.5 Å²	62.5	43%	0.425	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-87.3	137.3	178.2	-60.9	-92.4	0	0	0	110	K27 T131 N132 D146 L150	K27-F148 HydrophobicContact CB-CD1 4.48Å; K27-F148 HydrophobicContact CB-CE1 3.99Å; K27-F148 HydrophobicContact CD-CE1 4.15Å; K27-F148 HydrophobicContact CD-CZ 3.98Å; K27-F148 HydrophobicContact CG-CE1 4.21Å; T131-F148 CarbonylContact C-O 3.53Å; T131-F148 WeakPolarHBondContact CA-O 3.39Å; T131-F148 VanDerWaalsContact CB-O 3.29Å; T131-F148 WeakPolarHBondContact CB-O 3.44Å; N132-F148 PolarHBondContact N-O 3.11Å; N132-F148 PolarHBondContact OD1-N 2.82Å; N132-F148 PolarHBondContact OD1-O 3.41Å; D146-F148 WeakPolarHBondContact O-CD2 3.47Å; D146-F148 VanDerWaalsContact O-CE2 3.27Å; D146-F148 WeakPolarHBondContact O-CE2 3.44Å; D146-F148 PolarHBondContact O-N 2.94Å; F148-L150 PolarHBondContact O-N 3.11Å
149	F	86.6	Confident	78.5	Confident	46 Å²	46	63.1 Å²	63.1	20%	0.202	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-65.1	131.3	166.4	-60	-56.6	0	0	0	109.5	K28 V106 R129 T131	K28-F149 HydrophobicContact CB-CE2 4.08Å; K28-F149 HydrophobicContact CD-CE2 4.47Å; K28-F149 HydrophobicContact CG-CE2 4.3Å; V106-F149 HydrophobicContact CG2-CE1 4.22Å; V106-F149 HydrophobicContact CG2-CZ 4.1Å; R129-F149 HydrophobicContact CB-CD1 3.69Å; R129-F149 HydrophobicContact CB-CE1 3.65Å; R129-F149 HydrophobicContact CG-CB 4.35Å; R129-F149 HydrophobicContact CG-CD1 3.58Å; R129-F149 HydrophobicContact CG-CE1 4.08Å; R129-F149 HydrophobicContact CG-CG 4.12Å; T131-F149 HydrophobicContact CG2-CD1 4.09Å; T131-F149 HydrophobicContact CG2-CE1 4.46Å
150	L	79.2	Confident	78.3	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.346	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-66.3	162.2	171.3	-51.4	165.7	0	0	0	109.4	R129 Q130 N132 F148 T153	R129-L150 PolarHBondContact NH2-O 3.09Å; Q130-L150 HydrophobicContact CG-CD1 4.43Å; N132-L150 HydrophobicContact CB-CD2 3.76Å; F148-L150 PolarHBondContact O-N 3.11Å; L150-T153 HydrophobicContact CB-CG2 3.54Å; L150-T153 HydrophobicContact CG-CG2 4.36Å; L150-T153 VanDerWaalsContact N-CG2 3.34Å; L150-T153 WeakPolarHBondContact O-CG2 3.3Å
151	T	66.4	Low	77.8	Confident	121 Å²	121	53.1 Å²	53.1	74%	0.742	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-45.9	-179.6	47	0	0	0	0	111.8	T153	T151-T153 PolarHBondContact O-N 3.32Å
152	H	63.7	Low	77.3	Confident	181 Å²	181	48.1 Å²	48.1	84%	0.838	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	52.1	-175.3	-62.7	76.3	0	0	0	111.7
153	T	61.2	Low	77.2	Confident	20 Å²	20	45.6 Å²	45.6	12%	0.123	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-80.9	142.8	-169.2	43.4	0	0	0	0	115.6	R129 Q130 L150 T151	R129-T153 HydrophobicContact CG-CG2 3.94Å; R129-T153 WeakPolarHBondContact CG-OG1 3.27Å; R129-T153 PolarHBondContact NE-OG1 3.4Å; R129-T153 PolarHBondContact NH2-OG1 3.16Å; Q130-T153 HydrophobicContact CB-CG2 4.17Å; Q130-T153 WeakPolarHBondContact O-CG2 3.44Å; L150-T153 HydrophobicContact CB-CG2 3.54Å; L150-T153 HydrophobicContact CG-CG2 4.36Å; L150-T153 VanDerWaalsContact N-CG2 3.34Å; L150-T153 WeakPolarHBondContact O-CG2 3.3Å; T151-T153 PolarHBondContact O-N 3.32Å
154	K	66.1	Low	77.2	Confident	93 Å²	93	43.4 Å²	43.4	40%	0.404	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-61.8	128.2	156	-59.1	-175.1	-167.6	-178.9	0	110.8	Y103 Q130 W182	Y103-K154 HydrophobicContact CE1-CB 4.3Å; Q130-K154 HydrophobicContact CB-CB 4.25Å; Q130-K154 PolarHBondContact N-O 3.49Å; Q130-K154 VanDerWaalsContact OE1-CD 3.31Å; K154-W182 HydrophobicContact CB-CE3 3.5Å; K154-W182 HydrophobicContact CB-CZ3 3.7Å; K154-W182 HydrophobicContact CD-CE3 3.63Å; K154-W182 HydrophobicContact CD-CZ3 3.84Å; K154-W182 HydrophobicContact CG-CE3 3.57Å; K154-W182 HydrophobicContact CG-CZ3 4.05Å
155	Y	70.4	Confident	77.1	Confident	81 Å²	81	45 Å²	45	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	154.4	168.5	-76.9	-99.2	0	0	0	110.3	V106 M128 R129 G180 Y181	V106-Y155 HydrophobicContact CG2-CE1 4.32Å; M128-Y155 WeakPolarHBondContact O-CA 3.37Å; R129-Y155 HydrophobicContact CB-CD1 4.07Å; R129-Y155 HydrophobicContact CB-CE1 4.04Å; R129-Y155 HydrophobicContact CG-CD1 4.38Å; R129-Y155 HydrophobicContact CG-CE1 4.12Å; R129-Y155 PolarHBondContact NH1-OH 3.49Å; Y155-G180 CarbonylContact O-C 3.52Å; Y155-G180 VanDerWaalsContact O-CA 3.29Å; Y155-G180 WeakPolarHBondContact O-CA 3.41Å; Y155-Y181 PolarHBondContact N-O 3.26Å; Y155-Y181 PolarHBondContact O-N 3.11Å
156	A	70.6	Confident	77	Confident	6 Å²	6	48.1 Å²	48.1	5%	0.05	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	125.9	171.5	0	0	0	0	0	111.2	Y103 M128 Y179	Y103-A156 HydrophobicContact CD1-CB 3.87Å; Y103-A156 HydrophobicContact CE1-CB 3.92Å; M128-A156 WeakPolarHBondContact CA-O 3.3Å; M128-A156 WeakPolarHBondContact CB-O 3.27Å; M128-A156 HydrophobicContact CE-CB 3.87Å; M128-A156 PolarHBondContact N-O 2.86Å; M128-A156 PolarHBondContact O-N 2.92Å; A156-Y179 CarbonylContact C-O 3.54Å; A156-Y179 WeakPolarHBondContact CA-O 3.17Å
157	T	70	Confident	76.8	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.4	173.5	-60.3	0	0	0	0	108.6	R125 L126 V127 Y179	R125-T157 HydrophobicContact CG-CG2 4.23Å; L126-T157 CarbonylContact O-C 3.45Å; L126-T157 WeakPolarHBondContact O-CA 3.24Å; V127-T157 HydrophobicContact CG2-CG2 4.34Å; T157-Y179 PolarHBondContact N-O 3.41Å; T157-Y179 PolarHBondContact O-N 2.98Å
158	C	71.8	Confident	76.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.5	-174.7	-64.4	0	0	0	0	112.5	V93 R125 L126 M128 V177 C178	V93-C158 HydrophobicContact CG1-CB 3.94Å; R125-C158 CarbonylContact C-O 3.46Å; R125-C158 VanDerWaalsContact CA-O 3.29Å; R125-C158 WeakPolarHBondContact CA-O 3.49Å; L126-C158 PolarHBondContact N-O 3.46Å; L126-C158 PolarHBondContact O-N 3.46Å; M128-C158 HydrophobicContact CE-CB 4.26Å; M128-C158 WeakPolarHBondContact CE-SG 3.41Å; C158-V177 CarbonylContact C-O 3.54Å; C158-V177 VanDerWaalsContact C-O 3.31Å; C158-V177 WeakPolarHBondContact CA-O 3.07Å; C158-V177 WeakPolarHBondContact CB-O 3.47Å; C158-C178 HydrophobicContact CB-CB 4.17Å; C158-C178 WeakPolarHBondContact CB-SG 3.49Å; C158-C178 WeakPolarHBondContact SG-CB 3.41Å; C158-C178 CovalentContact SG-SG 2.04Å; C158-C178 PolarHBondContact SG-SG 3.49Å
159	T	72.4	Confident	76.6	Confident	14 Å²	14	54 Å²	54	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.6	172.5	-43.7	0	0	0	0	109.5	L123 A124 R125 V177	L123-T159 HydrophobicContact CD1-CG2 3.61Å; A124-T159 CarbonylContact O-C 3.49Å; A124-T159 WeakPolarHBondContact O-CA 3.44Å; R125-T159 HydrophobicContact CB-CG2 4.28Å; R125-T159 WeakPolarHBondContact CD-OG1 3.21Å; T159-V177 PolarHBondContact N-O 3.47Å; T159-V177 VanDerWaalsContact O-CB 3.24Å; T159-V177 WeakPolarHBondContact O-CB 3.26Å; T159-V177 WeakPolarHBondContact O-CG2 3.45Å; T159-V177 PolarHBondContact O-N 2.96Å
160	W	81.6	Confident	76.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.1	-178.8	174.8	96	0	0	0	111.2	V89 V93 V122 L123 A124 G162 V164 V170 T173 G175	V89-W160 HydrophobicContact CB-CD2 4.36Å; V89-W160 HydrophobicContact CB-CE3 4.25Å; V89-W160 HydrophobicContact CG1-CB 3.52Å; V89-W160 HydrophobicContact CG1-CD2 3.54Å; V89-W160 HydrophobicContact CG1-CE3 3.71Å; V89-W160 HydrophobicContact CG1-CG 3.47Å; V89-W160 VanDerWaalsContact CG1-CG 3.47Å; V89-W160 HydrophobicContact CG2-CD2 3.9Å; V89-W160 HydrophobicContact CG2-CE3 3.41Å; V89-W160 VanDerWaalsContact CG2-CE3 3.41Å; V89-W160 HydrophobicContact CG2-CH2 4.04Å; V89-W160 HydrophobicContact CG2-CZ2 4.47Å; V89-W160 HydrophobicContact CG2-CZ3 3.48Å; V89-W160 VanDerWaalsContact CG2-CZ3 3.48Å; V93-W160 HydrophobicContact CG2-CB 3.92Å; V93-W160 HydrophobicContact CG2-CG 4.13Å; V122-W160 HydrophobicContact CB-CZ3 3.81Å; V122-W160 HydrophobicContact CG1-CE3 4.23Å; V122-W160 HydrophobicContact CG1-CZ3 3.67Å; L123-W160 WeakPolarHBondContact CD1-O 3.37Å; A124-W160 HydrophobicContact CB-CE3 4.35Å; A124-W160 PolarHBondContact N-O 2.91Å; A124-W160 PolarHBondContact O-N 2.96Å; W160-G162 VanDerWaalsContact CH2-CA 3.44Å; W160-V164 HydrophobicContact CH2-CG1 4.17Å; W160-V164 HydrophobicContact CZ3-CG1 4.5Å; W160-V170 HydrophobicContact CH2-CG1 4.29Å; W160-V170 HydrophobicContact CH2-CG2 3.79Å; W160-V170 HydrophobicContact CZ2-CB 4.26Å; W160-V170 HydrophobicContact CZ2-CG1 3.62Å; W160-V170 HydrophobicContact CZ2-CG2 3.64Å; W160-T173 PolarHBondContact NE1-OG1 3.1Å; W160-G175 CarbonylContact C-O 3.6Å; W160-G175 WeakPolarHBondContact CA-O 3.18Å
161	Q	75.9	Confident	77	Confident	32 Å²	32	54.8 Å²	54.8	15%	0.15	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137	174.8	-169.6	-167.9	-12.5	0	0	109.1	V122 L123 Y174 G175 L206	V122-Q161 WeakPolarHBondContact O-CA 3.41Å; L123-Q161 HydrophobicContact CD1-CB 4.36Å; Q161-Y174 HydrophobicContact CG-CD2 4.28Å; Q161-Y174 WeakPolarHBondContact O-CA 3.4Å; Q161-Y174 PolarHBondContact O-N 2.71Å; Q161-G175 PolarHBondContact N-O 3.18Å; Q161-G175 PolarHBondContact O-N 2.78Å; Q161-L206 HydrophobicContact CB-CD1 4.19Å; Q161-L206 HydrophobicContact CG-CD1 4.2Å
162	G	77.8	Confident	77.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	-163.2	178.8	0	0	0	0	0	112.6	T121 V122 W160 H172 Y174	T121-G162 CarbonylContact C-O 3.35Å; T121-G162 VanDerWaalsContact CA-O 3.3Å; T121-G162 WeakPolarHBondContact CA-O 3.38Å; V122-G162 PolarHBondContact N-O 2.91Å; V122-G162 PolarHBondContact O-N 3.45Å; V122-G162 VanDerWaalsContact O-N 3.08Å; W160-G162 VanDerWaalsContact CH2-CA 3.44Å; G162-H172 CarbonylContact C-O 3.5Å; G162-H172 WeakPolarHBondContact CA-O 3.4Å; G162-Y174 VanDerWaalsContact CA-CD2 3.48Å
163	S	83.7	Confident	78	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149	164.6	69.3	0	0	0	0	111.6	D120 E171 H172	D120-S163 WeakPolarHBondContact O-CA 3.5Å; S163-E171 PolarHBondContact O-N 2.86Å; S163-E171 PolarHBondContact OG-OE2 3.33Å; S163-H172 PolarHBondContact N-O 3.1Å
164	V	85.7	Confident	78.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.3	167	-55.7	0	0	0	0	110.9	S119 D120 V122 W160 K169 V170	S119-V164 WeakPolarHBondContact CA-O 3.09Å; D120-V164 PolarHBondContact N-O 2.84Å; D120-V164 PolarHBondContact O-N 3.31Å; V122-V164 HydrophobicContact CB-CG1 4.34Å; V122-V164 HydrophobicContact CG2-CB 4.46Å; V122-V164 HydrophobicContact CG2-CG1 4.05Å; V122-V164 HydrophobicContact CG2-CG2 3.62Å; W160-V164 HydrophobicContact CH2-CG1 4.17Å; W160-V164 HydrophobicContact CZ3-CG1 4.5Å; V164-K169 CarbonylContact C-O 3.56Å; V164-K169 WeakPolarHBondContact CA-O 3.39Å; V164-K169 WeakPolarHBondContact CB-O 3.31Å; V164-V170 HydrophobicContact CG1-CG2 4.35Å
165	D	86.7	Confident	77.7	Confident	38 Å²	38	46.2 Å²	46.2	20%	0.203	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	174.6	174.4	83.6	-19	0	0	0	112	K167 D168 K169 E171	D165-K167 PolarHBondContact O-N 2.67Å; D165-K167 VanDerWaalsContact OD1-CA 3.22Å; D165-K167 WeakPolarHBondContact OD1-CA 3.42Å; D165-K167 WeakPolarHBondContact OD1-CB 3.18Å; D165-K167 PolarHBondContact OD1-N 2.9Å; D165-D168 PolarHBondContact O-N 3.02Å; D165-D168 PolarHBondContact OD1-N 3.43Å; D165-D168 VanDerWaalsContact OD1-N 3.16Å; D165-K169 PolarHBondContact N-O 2.82Å; D165-K169 WeakPolarHBondContact OD1-CB 3.46Å; D165-K169 PolarHBondContact OD1-N 3.34Å; D165-E171 HydrophobicContact CB-CG 3.87Å
166	N	82.1	Confident	77.6	Confident	123 Å²	123	42.7 Å²	42.7	66%	0.658	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-0.9	173.4	-67.7	-32.2	0	0	0	115	K118	K118-N166 PolarHBondContact O-OD1 3.43Å
167	K	83.5	Confident	76.9	Confident	162 Å²	162	43 Å²	43	70%	0.704	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	15.4	177.5	-59.4	173.9	178	174.6	0	111.9	D165 K169	D165-K167 PolarHBondContact O-N 2.67Å; D165-K167 VanDerWaalsContact OD1-CA 3.22Å; D165-K167 WeakPolarHBondContact OD1-CA 3.42Å; D165-K167 WeakPolarHBondContact OD1-CB 3.18Å; D165-K167 PolarHBondContact OD1-N 2.9Å; K167-K169 PolarHBondContact O-N 2.95Å
168	D	85.5	Confident	76.5	Confident	5 Å²	5	43 Å²	43	3%	0.027	21%	0.208	C	C	.	.	S	Bend	trans	60.4	19.6	-175	-61.7	-35.6	0	0	0	115	R84 I85 S88 K113 D165	R84-D168 HydrophobicContact CB-CB 4.3Å; R84-D168 IonicContact CZ-OD2 2.69Å; R84-D168 IonicContact NE-OD2 3.15Å; R84-D168 PolarHBondContact NE-OD2 3.22Å; R84-D168 IonicContact NH2-OD2 2.75Å; R84-D168 PolarHBondContact NH2-OD2 3.48Å; I85-D168 HydrophobicContact CG1-CB 3.74Å; I85-D168 VanDerWaalsContact CG1-CG 3.46Å; I85-D168 WeakPolarHBondContact CG1-OD1 3.28Å; S88-D168 WeakPolarHBondContact CB-O 3.37Å; S88-D168 PolarHBondContact OG-O 2.83Å; K113-D168 IonicContact NZ-OD1 2.71Å; K113-D168 PolarHBondContact NZ-OD1 3.25Å; D165-D168 PolarHBondContact O-N 3.02Å; D165-D168 PolarHBondContact OD1-N 3.43Å; D165-D168 VanDerWaalsContact OD1-N 3.16Å
169	K	88.1	Confident	75.8	Confident	134 Å²	134	45.4 Å²	45.4	58%	0.583	22%	0.218	S	C	*	.			trans	-85.7	135.6	174.1	-64	-170.4	172.6	-165.9	0	110.9	S88 V164 D165 K167 E171	S88-K169 WeakPolarHBondContact OG-CA 3.5Å; V164-K169 CarbonylContact C-O 3.56Å; V164-K169 WeakPolarHBondContact CA-O 3.39Å; V164-K169 WeakPolarHBondContact CB-O 3.31Å; D165-K169 PolarHBondContact N-O 2.82Å; D165-K169 WeakPolarHBondContact OD1-CB 3.46Å; D165-K169 PolarHBondContact OD1-N 3.34Å; K167-K169 PolarHBondContact O-N 2.95Å; K169-E171 PolarHBondContact O-N 3.33Å
170	V	87.3	Confident	74.9	Confident	40 Å²	40	45 Å²	45	24%	0.242	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	122.3	171.1	173.6	0	0	0	0	111.1	S88 V89 A92 W160 V164	S88-V170 PolarHBondContact OG-N 2.96Å; V89-V170 HydrophobicContact CG2-CG2 4.04Å; A92-V170 HydrophobicContact CB-CB 4.48Å; A92-V170 HydrophobicContact CB-CG1 4.36Å; A92-V170 HydrophobicContact CB-CG2 4.16Å; W160-V170 HydrophobicContact CH2-CG1 4.29Å; W160-V170 HydrophobicContact CH2-CG2 3.79Å; W160-V170 HydrophobicContact CZ2-CB 4.26Å; W160-V170 HydrophobicContact CZ2-CG1 3.62Å; W160-V170 HydrophobicContact CZ2-CG2 3.64Å; V164-V170 HydrophobicContact CG1-CG2 4.35Å
171	E	85.6	Confident	73.2	Confident	88 Å²	88	51.9 Å²	51.9	41%	0.411	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-46.7	170.7	-55.9	167.6	130.8	0	0	110.8	S119 S163 D165 K169	S119-E171 WeakPolarHBondContact CB-OE2 3.23Å; S163-E171 PolarHBondContact O-N 2.86Å; S163-E171 PolarHBondContact OG-OE2 3.33Å; D165-E171 HydrophobicContact CB-CG 3.87Å; K169-E171 PolarHBondContact O-N 3.33Å
172	H	77.4	Confident	71.5	Confident	113 Å²	113	53.2 Å²	53.2	52%	0.523	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.8	-177.5	-59.7	-44	0	0	0	110.2	G162 S163 Y174	G162-H172 CarbonylContact C-O 3.5Å; G162-H172 WeakPolarHBondContact CA-O 3.4Å; S163-H172 PolarHBondContact N-O 3.1Å; H172-Y174 HydrophobicContact CB-CD1 4.38Å; H172-Y174 HydrophobicContact CB-CE1 3.81Å
173	T	75.2	Confident	69.3	Low	35 Å²	35	60.1 Å²	60.1	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.8	166.1	-63.3	0	0	0	0	109.2	M96 W160	M96-T173 HydrophobicContact CE-CG2 3.76Å; M96-T173 HydrophobicContact SD-CG2 3.68Å; W160-T173 PolarHBondContact NE1-OG1 3.1Å
174	Y	67.2	Low	66.8	Low	82 Å²	82	69.9 Å²	69.9	32%	0.322	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-20.1	174.3	-51.4	-34	0	0	0	112.6	T121 Q161 G162 H172 L204	T121-Y174 HydrophobicContact CG2-CD2 4.44Å; T121-Y174 HydrophobicContact CG2-CE2 4.09Å; Q161-Y174 HydrophobicContact CG-CD2 4.28Å; Q161-Y174 WeakPolarHBondContact O-CA 3.4Å; Q161-Y174 PolarHBondContact O-N 2.71Å; G162-Y174 VanDerWaalsContact CA-CD2 3.48Å; H172-Y174 HydrophobicContact CB-CD1 4.38Å; H172-Y174 HydrophobicContact CB-CE1 3.81Å; Y174-L204 WeakPolarHBondContact O-CD1 3.44Å
175	G	54.2	Low	64.3	Low	5 Å²	5	76 Å²	76	5%	0.052	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	139.5	-175.4	0	0	0	0	0	112.2	W160 Q161 P194	W160-G175 CarbonylContact C-O 3.6Å; W160-G175 WeakPolarHBondContact CA-O 3.18Å; Q161-G175 PolarHBondContact N-O 3.18Å; Q161-G175 PolarHBondContact O-N 2.78Å; G175-P194 VanDerWaalsContact CA-CG 3.48Å
176	V	66.6	Low	62	Low	7 Å²	7	80.9 Å²	80.9	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	105.4	163	64.1	0	0	0	0	110.6	V93 M96 L192	V93-V176 HydrophobicContact CB-CG2 4.49Å; V93-V176 HydrophobicContact CG1-CG2 4.2Å; V93-V176 HydrophobicContact CG2-CG2 3.88Å; M96-V176 HydrophobicContact CB-CG1 4.23Å; M96-V176 HydrophobicContact CE-CB 4.35Å; M96-V176 HydrophobicContact CE-CG1 3.49Å; M96-V176 VanDerWaalsContact CE-CG1 3.49Å; M96-V176 HydrophobicContact SD-CB 4.26Å; M96-V176 HydrophobicContact SD-CG1 3.82Å; V176-L192 CarbonylContact O-C 3.31Å; V176-L192 WeakPolarHBondContact O-CB 3.24Å
177	V	55.8	Low	60.2	Low	12 Å²	12	80.2 Å²	80.2	7%	0.073	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.5	168.2	175	0	0	0	0	108	C158 T159 Y179 L191	C158-V177 CarbonylContact C-O 3.54Å; C158-V177 VanDerWaalsContact C-O 3.31Å; C158-V177 WeakPolarHBondContact CA-O 3.07Å; C158-V177 WeakPolarHBondContact CB-O 3.47Å; T159-V177 PolarHBondContact N-O 3.47Å; T159-V177 VanDerWaalsContact O-CB 3.24Å; T159-V177 WeakPolarHBondContact O-CB 3.26Å; T159-V177 WeakPolarHBondContact O-CG2 3.45Å; T159-V177 PolarHBondContact O-N 2.96Å; V177-Y179 HydrophobicContact CG1-CD2 4.02Å; V177-Y179 HydrophobicContact CG1-CE2 3.34Å; V177-L191 VanDerWaalsContact CA-CD1 3.47Å; V177-L191 HydrophobicContact CB-CD1 3.65Å; V177-L191 HydrophobicContact CG1-CD1 3.74Å; V177-L191 HydrophobicContact CG2-CD1 3.55Å
178	C	62.7	Low	58.6	Low	11 Å²	11	74.9 Å²	74.9	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.3	166.7	-74.9	0	0	0	0	111.8	L97 C158	L97-C178 HydrophobicContact CD2-CB 4.26Å; C158-C178 HydrophobicContact CB-CB 4.17Å; C158-C178 WeakPolarHBondContact CB-SG 3.49Å; C158-C178 WeakPolarHBondContact SG-CB 3.41Å; C158-C178 CovalentContact SG-SG 2.04Å; C158-C178 PolarHBondContact SG-SG 3.49Å
179	Y	56.8	Low	57.1	Low	52 Å²	52	77.1 Å²	77.1	20%	0.204	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.6	165.3	-56.1	-83.3	0	0	0	108	A156 T157 V177 A208 P210	A156-Y179 CarbonylContact C-O 3.54Å; A156-Y179 WeakPolarHBondContact CA-O 3.17Å; T157-Y179 PolarHBondContact N-O 3.41Å; T157-Y179 PolarHBondContact O-N 2.98Å; V177-Y179 HydrophobicContact CG1-CD2 4.02Å; V177-Y179 HydrophobicContact CG1-CE2 3.34Å; Y179-A208 PolarHBondContact OH-O 2.68Å; Y179-P210 HydrophobicContact CE1-CB 4.34Å; Y179-P210 HydrophobicContact CE1-CG 4.04Å
180	G	53.4	Low	56.1	Low	6 Å²	6	73.3 Å²	73.3	6%	0.062	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	167.3	168.6	0	0	0	0	0	110.3	Y155 H189	Y155-G180 CarbonylContact O-C 3.52Å; Y155-G180 VanDerWaalsContact O-CA 3.29Å; Y155-G180 WeakPolarHBondContact O-CA 3.41Å; G180-H189 WeakPolarHBondContact CA-CE1 3.42Å; G180-H189 PolarHBondContact N-CE1 2.85Å; G180-H189 PolarHBondContact N-ND1 2.94Å; G180-H189 PolarHBondContact O-CE1 3.18Å; G180-H189 PolarHBondContact O-NE2 3.09Å
181	Y	47	Very low	55.1	Low	144 Å²	144	71.6 Å²	71.6	57%	0.565	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.1	158.5	-61.9	-87.8	0	0	0	108.5	Y155	Y155-Y181 PolarHBondContact N-O 3.26Å; Y155-Y181 PolarHBondContact O-N 3.11Å
182	W	39.5	Very low	54.1	Low	60 Å²	60	70.4 Å²	70.4	23%	0.227	33%	0.328	C	S	.	.			trans	-145.8	145.4	172.1	17.9	69.4	0	0	0	109.5	K154 Q184 H189	K154-W182 HydrophobicContact CB-CE3 3.5Å; K154-W182 HydrophobicContact CB-CZ3 3.7Å; K154-W182 HydrophobicContact CD-CE3 3.63Å; K154-W182 HydrophobicContact CD-CZ3 3.84Å; K154-W182 HydrophobicContact CG-CE3 3.57Å; K154-W182 HydrophobicContact CG-CZ3 4.05Å; W182-Q184 PolarHBondContact O-N 2.96Å; W182-H189 AromaticContact CD1-CE1 3.67Å; W182-H189 AromaticContact CD1-NE2 3.57Å; W182-H189 AromaticContact CE2-CE1 3.42Å; W182-H189 VanDerWaalsContact CE2-CE1 3.42Å; W182-H189 AromaticContact CZ2-CE1 3.73Å; W182-H189 AromaticContact NE1-CE1 3.01Å; W182-H189 PolarHBondContact NE1-CE1 3.17Å; W182-H189 AromaticContact NE1-ND1 4Å; W182-H189 AromaticContact NE1-NE2 3.31Å; W182-H189 PolarHBondContact NE1-NE2 3.14Å
183	N	30.5	Very low	53.4	Low	144 Å²	144	65.5 Å²	65.5	77%	0.77	31%	0.307	S	S	*	.			trans	-63.3	129.3	-158.6	-59.9	2.3	0	0	0	115.2	E185	N183-E185 PolarHBondContact O-N 3.39Å
184	Q	31.7	Very low	53	Low	205 Å²	205	64.1 Å²	64.1	96%	0.958	30%	0.299	S	S	*	.	S	Bend	trans	46	-14.9	150.7	-76.9	-177.9	-33.9	0	0	122.8	W182	W182-Q184 PolarHBondContact O-N 2.96Å
185	E	34.4	Very low	52.7	Low	129 Å²	129	65.6 Å²	65.6	60%	0.603	31%	0.307	S	S	*	.	S	Bend	trans	-76.7	149	160.6	-67.2	170.8	165.6	0	0	109.6	N183 R187	N183-E185 PolarHBondContact O-N 3.39Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 HydrophobicContact CB-CG 4.24Å; E185-R187 PolarHBondContact O-N 2.85Å; E185-R187 IonicContact OE2-CZ 2.74Å; E185-R187 VanDerWaalsContact OE2-CZ 3.24Å; E185-R187 IonicContact OE2-NE 2.74Å; E185-R187 PolarHBondContact OE2-NE 3.02Å; E185-R187 IonicContact OE2-NH2 3.84Å; E185-R187 PolarHBondContact OE2-NH2 3.1Å
186	I	37.2	Very low	53.4	Low	142 Å²	142	69.6 Å²	69.6	73%	0.728	33%	0.327	S	S	*	.			trans	-72.9	80.1	-177.8	-53.4	179.4	0	0	0	110.1	L188 Y212	I186-L188 PolarHBondContact O-N 3.08Å; I186-Y212 HydrophobicContact CG2-CE2 4.09Å
187	R	45.4	Very low	53.6	Low	109 Å²	109	71 Å²	71	41%	0.411	33%	0.332	S	S	.	.			trans	-90.8	102.7	-178	-69.3	173	179.7	-165.4	3.1	109	E185 H189	E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 HydrophobicContact CB-CG 4.24Å; E185-R187 PolarHBondContact O-N 2.85Å; E185-R187 IonicContact OE2-CZ 2.74Å; E185-R187 VanDerWaalsContact OE2-CZ 3.24Å; E185-R187 IonicContact OE2-NE 2.74Å; E185-R187 PolarHBondContact OE2-NE 3.02Å; E185-R187 IonicContact OE2-NH2 3.84Å; E185-R187 PolarHBondContact OE2-NH2 3.1Å; R187-H189 PolarHBondContact O-CD2 2.68Å; R187-H189 PolarHBondContact O-N 3.21Å; R187-H189 VanDerWaalsContact O-N 3.1Å
188	L	50	Low	54.6	Low	50 Å²	50	71.6 Å²	71.6	26%	0.262	33%	0.334	S	S	.	.			trans	-64.1	104.9	-174.4	-168.7	158.5	0	0	0	111	I186 R190 Y212 I257 L262	I186-L188 PolarHBondContact O-N 3.08Å; L188-R190 HydrophobicContact CD2-CG 3.87Å; L188-Y212 HydrophobicContact CD1-CD1 3.69Å; L188-Y212 HydrophobicContact CD1-CE1 3.53Å; L188-Y212 HydrophobicContact CG-CD1 3.97Å; L188-Y212 HydrophobicContact CG-CE1 4.1Å; L188-I257 HydrophobicContact CD2-CD1 3.44Å; L188-I257 VanDerWaalsContact CD2-CD1 3.44Å; L188-I257 HydrophobicContact CD2-CG2 4.4Å; L188-I257 HydrophobicContact CG-CD1 3.7Å; L188-L262 HydrophobicContact CD1-CD1 4.14Å; L188-L262 HydrophobicContact CD1-CG 4.2Å
189	H	53.7	Low	55.5	Low	51 Å²	51	74.7 Å²	74.7	24%	0.236	35%	0.348	C	S	.	.			trans	-88.7	114.5	-175.8	-78	-79.5	0	0	0	112.2	G180 W182 R187 P210	G180-H189 WeakPolarHBondContact CA-CE1 3.42Å; G180-H189 PolarHBondContact N-CE1 2.85Å; G180-H189 PolarHBondContact N-ND1 2.94Å; G180-H189 PolarHBondContact O-CE1 3.18Å; G180-H189 PolarHBondContact O-NE2 3.09Å; W182-H189 AromaticContact CD1-CE1 3.67Å; W182-H189 AromaticContact CD1-NE2 3.57Å; W182-H189 AromaticContact CE2-CE1 3.42Å; W182-H189 VanDerWaalsContact CE2-CE1 3.42Å; W182-H189 AromaticContact CZ2-CE1 3.73Å; W182-H189 AromaticContact NE1-CE1 3.01Å; W182-H189 PolarHBondContact NE1-CE1 3.17Å; W182-H189 AromaticContact NE1-ND1 4Å; W182-H189 AromaticContact NE1-NE2 3.31Å; W182-H189 PolarHBondContact NE1-NE2 3.14Å; R187-H189 PolarHBondContact O-CD2 2.68Å; R187-H189 PolarHBondContact O-N 3.21Å; R187-H189 VanDerWaalsContact O-N 3.1Å; H189-P210 WeakPolarHBondContact O-CG 3.3Å
190	R	65.7	Low	56.8	Low	55 Å²	55	73.1 Å²	73.1	21%	0.208	34%	0.341	C	S	.	.			trans	-93.6	126.7	175.5	-66.5	175	177.5	-78.3	-4.1	111.5	L188 L192 T255 G256 M361 N363	L188-R190 HydrophobicContact CD2-CG 3.87Å; R190-L192 PolarHBondContact O-N 3.09Å; R190-T255 WeakPolarHBondContact CD-O 3.33Å; R190-T255 PolarHBondContact NH1-O 2.78Å; R190-T255 PolarHBondContact NH1-OG1 2.88Å; R190-G256 CarbonylContact C-O 3.59Å; R190-G256 WeakPolarHBondContact CA-O 3.47Å; R190-M361 PolarHBondContact NH2-O 2.91Å; R190-N363 PolarHBondContact NH1-O 2.93Å; R190-N363 PolarHBondContact NH2-O 2.96Å
191	L	66.9	Low	58.2	Low	4 Å²	4	78.7 Å²	78.7	2%	0.021	37%	0.366	C	S	.	.			trans	-58.1	112.9	158.9	156	59	0	0	0	109.2	V177 Y207 A208 P209 G256	V177-L191 VanDerWaalsContact CA-CD1 3.47Å; V177-L191 HydrophobicContact CB-CD1 3.65Å; V177-L191 HydrophobicContact CG1-CD1 3.74Å; V177-L191 HydrophobicContact CG2-CD1 3.55Å; L191-Y207 HydrophobicContact CD2-CD2 3.38Å; L191-Y207 HydrophobicContact CD2-CE2 3.39Å; L191-Y207 HydrophobicContact CD2-CG 4.11Å; L191-Y207 HydrophobicContact CG-CD2 4.01Å; L191-Y207 HydrophobicContact CG-CE2 3.7Å; L191-A208 VanDerWaalsContact CD2-C 3.44Å; L191-A208 VanDerWaalsContact CD2-N 3.33Å; L191-P209 HydrophobicContact CB-CB 4.32Å; L191-P209 VanDerWaalsContact CD2-CA 3.48Å; L191-P209 HydrophobicContact CD2-CB 3.94Å; L191-P209 HydrophobicContact CD2-CG 4.38Å; L191-G256 WeakPolarHBondContact CB-O 3.42Å; L191-G256 PolarHBondContact N-O 3.13Å; L191-G256 WeakPolarHBondContact O-CA 3.08Å
192	L	64.5	Low	59.6	Low	62 Å²	62	76 Å²	76	33%	0.325	36%	0.358	S	S	.	.			trans	-64	139.4	169.9	-59.7	-179.7	0	0	0	111	L97 V176 R190	L97-L192 HydrophobicContact CD2-CD1 3.92Å; V176-L192 CarbonylContact O-C 3.31Å; V176-L192 WeakPolarHBondContact O-CB 3.24Å; R190-L192 PolarHBondContact O-N 3.09Å
193	A	63.7	Low	61.3	Low	10 Å²	10	81 Å²	81	8%	0.083	38%	0.382	C	S	.	.			trans	-111.8	140.9	163.7	0	0	0	0	0	107.6	L204 Y207 R254	A193-L204 HydrophobicContact CB-CD2 3.96Å; A193-Y207 HydrophobicContact CB-CE2 4.25Å; A193-R254 HydrophobicContact CB-CB 4.02Å
194	P	65.2	Low	63.3	Low	7 Å²	7	75 Å²	75	5%	0.045	35%	0.349	C	S	.	.			trans	-54.8	146.4	169.2	-24.1	33.3	0	0	0	111	G175 D196 K197 K198	G175-P194 VanDerWaalsContact CA-CG 3.48Å; P194-D196 VanDerWaalsContact C-N 3.31Å; P194-D196 WeakPolarHBondContact CB-OD1 3.5Å; P194-D196 PolarHBondContact O-N 3.21Å; P194-K197 HydrophobicContact CB-CB 4.12Å; P194-K197 HydrophobicContact CB-CG 4.09Å; P194-K197 HydrophobicContact CG-CB 4.35Å; P194-K197 HydrophobicContact CG-CG 4.31Å; P194-K197 CarbonylContact O-C 3.49Å; P194-K197 VanDerWaalsContact O-C 3.25Å; P194-K197 VanDerWaalsContact O-CA 3.29Å; P194-K197 WeakPolarHBondContact O-CA 3.21Å; P194-K197 PolarHBondContact O-N 3.08Å; P194-K198 PolarHBondContact O-N 3.45Å; P194-K198 VanDerWaalsContact O-N 3.07Å
195	F	62.3	Low	65.1	Low	113 Å²	113	69.4 Å²	69.4	50%	0.496	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-56.9	-44.5	-176.5	-172.9	-101.9	0	0	0	112.3	K197 K198 D454 Y458	F195-K197 PolarHBondContact O-N 3.07Å; F195-K197 VanDerWaalsContact O-N 3.07Å; F195-K198 VanDerWaalsContact O-CB 3.31Å; F195-K198 WeakPolarHBondContact O-CB 3.46Å; F195-K198 PolarHBondContact O-N 3.41Å; F195-K198 VanDerWaalsContact O-N 3.16Å; F195-D454 HydrophobicContact CE2-CB 4.29Å; F195-D454 WeakPolarHBondContact CE2-OD1 3.32Å; F195-D454 WeakPolarHBondContact CZ-OD2 3.44Å; F195-Y458 HydrophobicContact CD2-CD1 4.35Å; F195-Y458 AromaticContact CD2-CD2 3.61Å; F195-Y458 HydrophobicContact CD2-CD2 3.61Å; F195-Y458 HydrophobicContact CD2-CE2 4.03Å; F195-Y458 AromaticContact CD2-CG 3.82Å; F195-Y458 HydrophobicContact CD2-CG 3.82Å; F195-Y458 AromaticContact CE2-CD2 3.76Å; F195-Y458 HydrophobicContact CE2-CD2 3.76Å; F195-Y458 HydrophobicContact CE2-CE2 4.2Å; F195-Y458 HydrophobicContact CE2-CG 4.35Å
196	D	67.8	Low	66.9	Low	89 Å²	89	65.3 Å²	65.3	48%	0.476	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-69.9	0.3	174.7	72.7	-58	0	0	0	114.1	P194	P194-D196 VanDerWaalsContact C-N 3.31Å; P194-D196 WeakPolarHBondContact CB-OD1 3.5Å; P194-D196 PolarHBondContact O-N 3.21Å
197	K	71.4	Confident	68.7	Low	36 Å²	36	59.6 Å²	59.6	16%	0.157	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-126.5	11.6	177.8	-57	-69.2	163	-84.2	0	112.5	P194 F195 Q202 L204 R254	P194-K197 HydrophobicContact CB-CB 4.12Å; P194-K197 HydrophobicContact CB-CG 4.09Å; P194-K197 HydrophobicContact CG-CB 4.35Å; P194-K197 HydrophobicContact CG-CG 4.31Å; P194-K197 CarbonylContact O-C 3.49Å; P194-K197 VanDerWaalsContact O-C 3.25Å; P194-K197 VanDerWaalsContact O-CA 3.29Å; P194-K197 WeakPolarHBondContact O-CA 3.21Å; P194-K197 PolarHBondContact O-N 3.08Å; F195-K197 PolarHBondContact O-N 3.07Å; F195-K197 VanDerWaalsContact O-N 3.07Å; K197-Q202 HydrophobicContact CD-CB 3.99Å; K197-L204 HydrophobicContact CB-CB 4.5Å; K197-L204 HydrophobicContact CB-CD1 4.47Å; K197-L204 HydrophobicContact CB-CD2 4.21Å; K197-R254 PolarHBondContact O-NH1 3.29Å
198	K	76.1	Confident	69.9	Low	24 Å²	24	56.5 Å²	56.5	10%	0.104	28%	0.275	C	S	.	.			trans	-52.9	-53.2	170.9	179.5	177.4	-167.7	-176.3	0	111.1	P194 F195 L252 G253 R254 D454 Y458	P194-K198 PolarHBondContact O-N 3.45Å; P194-K198 VanDerWaalsContact O-N 3.07Å; F195-K198 VanDerWaalsContact O-CB 3.31Å; F195-K198 WeakPolarHBondContact O-CB 3.46Å; F195-K198 PolarHBondContact O-N 3.41Å; F195-K198 VanDerWaalsContact O-N 3.16Å; K198-L252 VanDerWaalsContact CE-O 3.28Å; K198-L252 WeakPolarHBondContact CE-O 3.44Å; K198-L252 WeakPolarHBondContact CG-O 3.03Å; K198-G253 CarbonylContact O-C 3.44Å; K198-G253 WeakPolarHBondContact O-CA 3.24Å; K198-R254 WeakPolarHBondContact O-CB 3.48Å; K198-R254 WeakPolarHBondContact O-CG 3.44Å; K198-R254 PolarHBondContact O-N 2.77Å; K198-D454 IonicContact NZ-OD1 2.73Å; K198-D454 PolarHBondContact NZ-OD1 3.16Å; K198-Y458 HydrophobicContact CD-CE2 3.73Å; K198-Y458 WeakPolarHBondContact CD-OH 3.44Å; K198-Y458 VanDerWaalsContact CG-OH 3.32Å; K198-Y458 WeakPolarHBondContact CG-OH 3.21Å
199	Q	83.1	Confident	71.2	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	26%	0.264	S	S	.	.	S	Bend	trans	-74.8	140.2	-170.5	-67.7	-62.7	-6.1	0	0	114.4	Q201 Q202 R254	Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.42Å; Q199-Q202 VanDerWaalsContact O-CB 3.25Å; Q199-Q202 WeakPolarHBondContact O-CB 3.5Å; Q199-Q202 PolarHBondContact O-N 3.31Å; Q199-R254 PolarHBondContact O-NH1 3.19Å
200	W	83.4	Confident	71.9	Confident	19 Å²	19	53.8 Å²	53.8	7%	0.072	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.7	-168.6	-70.1	112.4	0	0	0	114.4	Q202 Y207 I239 L249 N250 R254 D365	W200-Q202 PolarHBondContact O-N 3.2Å; W200-Y207 HydrophobicContact CH2-CD1 4.49Å; W200-Y207 AromaticContact CH2-CE1 3.78Å; W200-Y207 HydrophobicContact CH2-CE1 3.78Å; W200-Y207 HydrophobicContact CZ3-CD1 4.08Å; W200-Y207 AromaticContact CZ3-CE1 3.81Å; W200-Y207 HydrophobicContact CZ3-CE1 3.81Å; W200-I239 HydrophobicContact CE3-CD1 4.31Å; W200-I239 HydrophobicContact CZ3-CD1 3.92Å; W200-L249 HydrophobicContact CD2-CB 4.26Å; W200-L249 HydrophobicContact CD2-CD1 3.75Å; W200-L249 HydrophobicContact CD2-CG 4.43Å; W200-L249 HydrophobicContact CE3-CD1 3.81Å; W200-L249 HydrophobicContact CG-CB 4.45Å; W200-L249 HydrophobicContact CG-CD1 4.12Å; W200-L249 HydrophobicContact CH2-CD2 3.92Å; W200-L249 HydrophobicContact CZ2-CB 4.22Å; W200-L249 HydrophobicContact CZ2-CD2 3.96Å; W200-L249 HydrophobicContact CZ2-CG 4.46Å; W200-L249 HydrophobicContact CZ3-CD1 4.22Å; W200-L249 HydrophobicContact CZ3-CD2 4.22Å; W200-N250 PolarHBondContact NE1-O 2.91Å; W200-R254 HydrophobicContact CD2-CG 4.2Å; W200-R254 HydrophobicContact CE3-CG 3.82Å; W200-R254 HydrophobicContact CH2-CB 4.49Å; W200-R254 HydrophobicContact CH2-CG 3.65Å; W200-R254 HydrophobicContact CZ2-CG 4.03Å; W200-R254 HydrophobicContact CZ3-CG 3.54Å; W200-R254 PolarHBondContact O-NH2 3.41Å; W200-D365 HydrophobicContact CH2-CB 3.86Å; W200-D365 HydrophobicContact CZ2-CB 3.96Å
201	Q	81.9	Confident	72.4	Confident	122 Å²	122	55.5 Å²	55.5	57%	0.57	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	-179.1	-39.5	79.3	8.6	0	0	111.7	Q199 E237	Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.42Å; Q201-E237 PolarHBondContact NE2-OE1 2.78Å
202	Q	77.5	Confident	72.6	Confident	88 Å²	88	57.6 Å²	57.6	41%	0.411	29%	0.286	S	S	.	.	S	Bend	trans	-72.9	130	168.5	-64.3	-70	-34.9	0	0	111	K197 Q199 W200 L204 R254	K197-Q202 HydrophobicContact CD-CB 3.99Å; Q199-Q202 VanDerWaalsContact O-CB 3.25Å; Q199-Q202 WeakPolarHBondContact O-CB 3.5Å; Q199-Q202 PolarHBondContact O-N 3.31Å; W200-Q202 PolarHBondContact O-N 3.2Å; Q202-L204 PolarHBondContact O-N 3.18Å; Q202-R254 PolarHBondContact O-NH1 2.82Å; Q202-R254 PolarHBondContact O-NH2 3.32Å
203	K	75.1	Confident	72.8	Confident	165 Å²	165	59 Å²	59	72%	0.717	29%	0.291	S	S	*	.			trans	-79	105.3	-177.8	-68.3	175.4	-178.2	170.2	0	111.5
204	L	71.7	Confident	72.9	Confident	18 Å²	18	62.7 Å²	62.7	9%	0.094	31%	0.308	C	S	.	.			trans	-115.3	84.8	171.5	-173.4	59.5	0	0	0	109.6	Y174 A193 K197 Q202 L206 Y207	Y174-L204 WeakPolarHBondContact O-CD1 3.44Å; A193-L204 HydrophobicContact CB-CD2 3.96Å; K197-L204 HydrophobicContact CB-CB 4.5Å; K197-L204 HydrophobicContact CB-CD1 4.47Å; K197-L204 HydrophobicContact CB-CD2 4.21Å; Q202-L204 PolarHBondContact O-N 3.18Å; L204-L206 PolarHBondContact O-N 3.14Å; L204-L206 VanDerWaalsContact O-N 3.11Å; L204-Y207 HydrophobicContact CD2-CD2 3.67Å; L204-Y207 HydrophobicContact CD2-CG 4.17Å; L204-Y207 VanDerWaalsContact O-CB 3.26Å; L204-Y207 WeakPolarHBondContact O-CB 3.27Å; L204-Y207 PolarHBondContact O-N 3.41Å
205	L	70.5	Confident	72.4	Confident	87 Å²	87	70.2 Å²	70.2	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.9	-167.7	-66.7	176	0	0	0	114.7
206	L	71.2	Confident	71.7	Confident	43 Å²	43	66.9 Å²	66.9	23%	0.225	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.7	-178.6	-57.7	179.7	0	0	0	112.8	L123 Q161 L204 A208	L123-L206 HydrophobicContact CD1-CD1 3.35Å; L123-L206 HydrophobicContact CD2-CD1 3.8Å; L123-L206 HydrophobicContact CG-CD1 4.15Å; Q161-L206 HydrophobicContact CB-CD1 4.19Å; Q161-L206 HydrophobicContact CG-CD1 4.2Å; L204-L206 PolarHBondContact O-N 3.14Å; L204-L206 VanDerWaalsContact O-N 3.11Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 2.87Å
207	Y	74.7	Confident	70.5	Confident	22 Å²	22	67.5 Å²	67.5	9%	0.086	35%	0.349	C	S	.	.			trans	-68	92.4	176.7	-168.9	-111.5	0	0	0	111	L191 A193 W200 L204 P209 R241 R254 G256 D365	L191-Y207 HydrophobicContact CD2-CD2 3.38Å; L191-Y207 HydrophobicContact CD2-CE2 3.39Å; L191-Y207 HydrophobicContact CD2-CG 4.11Å; L191-Y207 HydrophobicContact CG-CD2 4.01Å; L191-Y207 HydrophobicContact CG-CE2 3.7Å; A193-Y207 HydrophobicContact CB-CE2 4.25Å; W200-Y207 HydrophobicContact CH2-CD1 4.49Å; W200-Y207 AromaticContact CH2-CE1 3.78Å; W200-Y207 HydrophobicContact CH2-CE1 3.78Å; W200-Y207 HydrophobicContact CZ3-CD1 4.08Å; W200-Y207 AromaticContact CZ3-CE1 3.81Å; W200-Y207 HydrophobicContact CZ3-CE1 3.81Å; L204-Y207 HydrophobicContact CD2-CD2 3.67Å; L204-Y207 HydrophobicContact CD2-CG 4.17Å; L204-Y207 VanDerWaalsContact O-CB 3.26Å; L204-Y207 WeakPolarHBondContact O-CB 3.27Å; L204-Y207 PolarHBondContact O-N 3.41Å; Y207-P209 HydrophobicContact CD1-CG 4.08Å; Y207-P209 HydrophobicContact CE1-CB 4.34Å; Y207-P209 HydrophobicContact CE1-CG 3.54Å; Y207-P209 VanDerWaalsContact O-CD 3.26Å; Y207-P209 WeakPolarHBondContact O-CD 3.33Å; Y207-R241 PolarHBondContact O-NH2 2.64Å; Y207-R254 HydrophobicContact CD1-CG 4.12Å; Y207-R254 HydrophobicContact CD2-CG 4.33Å; Y207-R254 HydrophobicContact CE1-CB 4.2Å; Y207-R254 HydrophobicContact CE1-CG 3.69Å; Y207-R254 HydrophobicContact CE2-CB 3.79Å; Y207-R254 HydrophobicContact CE2-CG 3.93Å; Y207-R254 HydrophobicContact CG-CG 4.43Å; Y207-G256 VanDerWaalsContact OH-CA 3.26Å; Y207-G256 WeakPolarHBondContact OH-CA 3.44Å; Y207-G256 PolarHBondContact OH-N 3.21Å; Y207-D365 WeakPolarHBondContact CE1-OD2 3.33Å; Y207-D365 VanDerWaalsContact CZ-OD2 3.26Å; Y207-D365 PolarHBondContact OH-OD1 3.23Å; Y207-D365 PolarHBondContact OH-OD2 3.45Å
208	A	72.2	Confident	69	Low	45 Å²	45	74.7 Å²	74.7	37%	0.372	38%	0.383	S	S	.	.			trans	-117.4	56.8	-172.1	0	0	0	0	0	112.2	Y179 L191 L206	Y179-A208 PolarHBondContact OH-O 2.68Å; L191-A208 VanDerWaalsContact CD2-C 3.44Å; L191-A208 VanDerWaalsContact CD2-N 3.33Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 2.87Å
209	P	76	Confident	67.4	Low	6 Å²	6	81.8 Å²	81.8	4%	0.039	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-60.3	145.8	-175.3	24.6	-36.6	0	0	0	111.2	L191 Y207 R241 C258 D365	L191-P209 HydrophobicContact CB-CB 4.32Å; L191-P209 VanDerWaalsContact CD2-CA 3.48Å; L191-P209 HydrophobicContact CD2-CB 3.94Å; L191-P209 HydrophobicContact CD2-CG 4.38Å; Y207-P209 HydrophobicContact CD1-CG 4.08Å; Y207-P209 HydrophobicContact CE1-CB 4.34Å; Y207-P209 HydrophobicContact CE1-CG 3.54Å; Y207-P209 VanDerWaalsContact O-CD 3.26Å; Y207-P209 WeakPolarHBondContact O-CD 3.33Å; P209-R241 VanDerWaalsContact CD-NH2 3.29Å; P209-R241 PolarHBondContact O-NH1 3.01Å; P209-C258 HydrophobicContact CG-CB 4.21Å; P209-D365 WeakPolarHBondContact CG-OD2 3.45Å
210	P	69.4	Low	65.6	Low	38 Å²	38	79.5 Å²	79.5	25%	0.247	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66	148.4	172.1	27.8	-30.1	0	0	0	110.1	Y179 H189 G256 I257 C258	Y179-P210 HydrophobicContact CE1-CB 4.34Å; Y179-P210 HydrophobicContact CE1-CG 4.04Å; H189-P210 WeakPolarHBondContact O-CG 3.3Å; P210-G256 WeakPolarHBondContact CD-O 3.41Å; P210-I257 HydrophobicContact CG-CG1 4.25Å; P210-I257 WeakPolarHBondContact O-CG1 3.34Å; P210-C258 PolarHBondContact O-N 2.85Å; P210-C258 PolarHBondContact O-SG 3.4Å; P210-C258 VanDerWaalsContact O-SG 3.33Å
211	L	75.8	Confident	63.6	Low	91 Å²	91	85.1 Å²	85.1	48%	0.476	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.8	169.8	179	63.1	0	0	0	108.7	M242 C258	L211-M242 HydrophobicContact CD2-CE 4.09Å; L211-C258 CarbonylContact C-O 3.6Å; L211-C258 WeakPolarHBondContact CA-O 3.42Å
212	Y	71.6	Confident	61.7	Low	48 Å²	48	82.2 Å²	82.2	19%	0.188	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.2	172.8	-178.7	-113.3	0	0	0	110.9	I186 L188 I257 C258 G259 G261 L262	I186-Y212 HydrophobicContact CG2-CE2 4.09Å; L188-Y212 HydrophobicContact CD1-CD1 3.69Å; L188-Y212 HydrophobicContact CD1-CE1 3.53Å; L188-Y212 HydrophobicContact CG-CD1 3.97Å; L188-Y212 HydrophobicContact CG-CE1 4.1Å; Y212-I257 VanDerWaalsContact CB-CD1 3.42Å; Y212-I257 HydrophobicContact CD1-CD1 4.04Å; Y212-I257 HydrophobicContact CG-CD1 3.99Å; Y212-C258 PolarHBondContact N-O 3.07Å; Y212-G259 CarbonylContact O-C 3.56Å; Y212-G261 WeakPolarHBondContact O-CA 3.38Å; Y212-G261 PolarHBondContact O-N 3.06Å; Y212-L262 HydrophobicContact CE1-CD2 4.03Å; Y212-L262 HydrophobicContact CE1-CG 4.16Å
213	Q	68.8	Low	60.3	Low	92 Å²	92	82.7 Å²	82.7	43%	0.43	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.6	175.1	-69.5	163	-11.8	0	0	104.7	Y266	Q213-Y266 PolarHBondContact NE2-OH 3.3Å
214	I	64.6	Low	58.8	Low	87 Å²	87	75.5 Å²	75.5	45%	0.446	42%	0.418	S	S	.	.			trans	-69.6	136.9	169.1	-173.3	166.2	0	0	0	109.7	C216 G261 L262	I214-C216 VanDerWaalsContact C-N 3.32Å; I214-C216 PolarHBondContact O-N 3.18Å; I214-G261 PolarHBondContact N-O 2.83Å; I214-G261 VanDerWaalsContact N-O 3.12Å; I214-L262 HydrophobicContact CD1-CD2 4.32Å
215	N	54.9	Low	57.7	Low	164 Å²	164	81.6 Å²	81.6	88%	0.877	44%	0.44	S	S	*	.			trans	-72.2	88.2	171.8	-80.9	7.1	0	0	0	109
216	C	48.1	Very low	56.6	Low	43 Å²	43	82.3 Å²	82.3	29%	0.291	45%	0.448	S	S	.	.			trans	-72.7	132.7	172.1	-64.7	0	0	0	0	111.2	I214 H218 C220	I214-C216 VanDerWaalsContact C-N 3.32Å; I214-C216 PolarHBondContact O-N 3.18Å; C216-H218 PolarHBondContact O-N 2.82Å; C216-C220 HydrophobicContact CB-CB 3.42Å; C216-C220 VanDerWaalsContact CB-CB 3.42Å; C216-C220 WeakPolarHBondContact CB-SG 3.26Å; C216-C220 WeakPolarHBondContact SG-CB 3.36Å; C216-C220 CovalentContact SG-SG 2.02Å; C216-C220 PolarHBondContact SG-SG 2.76Å
217	S	42.2	Very low	55.7	Low	103 Å²	103	85 Å²	85	72%	0.72	46%	0.455	S	S	*	.	S	Bend	trans	-74.1	103.7	163.2	49.6	0	0	0	0	109.9	E219	S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.47Å
218	H	39.3	Very low	54.8	Low	186 Å²	186	85.5 Å²	85.5	86%	0.861	46%	0.46	S	S	*	.	S	Bend	trans	62.9	-21.2	165.4	-71.5	-83	0	0	0	120.4	C216	C216-H218 PolarHBondContact O-N 2.82Å
219	E	42.9	Very low	54	Low	173 Å²	173	86.8 Å²	86.8	81%	0.808	46%	0.457	S	S	*	.	S	Bend	trans	-94.9	-32.4	-172.8	-66	-170.3	135.4	0	0	115.6	S217 D221	S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.47Å; E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 3.13Å
220	C	46	Very low	53	Low	30 Å²	30	94.1 Å²	94.1	20%	0.203	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.7	-172.8	-52.5	0	0	0	0	115.9	C216 K260	C216-C220 HydrophobicContact CB-CB 3.42Å; C216-C220 VanDerWaalsContact CB-CB 3.42Å; C216-C220 WeakPolarHBondContact CB-SG 3.26Å; C216-C220 WeakPolarHBondContact SG-CB 3.36Å; C216-C220 CovalentContact SG-SG 2.02Å; C216-C220 PolarHBondContact SG-SG 2.76Å; C220-K260 PolarHBondContact O-NZ 2.99Å
221	D	41.4	Very low	52.4	Low	137 Å²	137	98 Å²	98	73%	0.733	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-19.4	-174.9	-72.8	-37.2	0	0	0	113.6	E219 H223	E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 3.13Å; D221-H223 PolarHBondContact O-N 2.79Å
222	G	42.4	Very low	51.5	Low	61 Å²	61	95.5 Å²	95.5	63%	0.629	49%	0.491	S	S	*	.	S	Bend	trans	-71.9	-24	-173.1	0	0	0	0	0	115.7
223	H	47.2	Very low	50.7	Low	98 Å²	98	96 Å²	96	45%	0.454	50%	0.497	S	S	.	.	S	Bend	trans	-120	-6.5	-168.7	-71.6	-63.5	0	0	0	114.7	D221 R225 T226 Y227 E265	D221-H223 PolarHBondContact O-N 2.79Å; H223-R225 PolarHBondContact O-N 3.44Å; H223-T226 PolarHBondContact O-N 2.68Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 2.89Å; H223-Y227 HydrophobicContact CB-CE2 3.88Å; H223-Y227 AromaticContact ND1-CE2 3.58Å; H223-Y227 AromaticContact ND1-CZ 3.84Å; H223-Y227 PolarHBondContact ND1-OH 3.17Å; H223-Y227 VanDerWaalsContact ND1-OH 3.16Å; H223-E265 VanDerWaalsContact CB-OE1 3.29Å; H223-E265 WeakPolarHBondContact CB-OE1 3.38Å
224	G	44.6	Very low	49.6	Very low	14 Å²	14	96.8 Å²	96.8	14%	0.144	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	8.3	-151.4	0	0	0	0	0	121	E265 Y266	G224-E265 WeakPolarHBondContact CA-OE1 3.36Å; G224-E265 WeakPolarHBondContact CA-OE2 3.33Å; G224-E265 PolarHBondContact N-OE1 3.18Å; G224-Y266 WeakPolarHBondContact O-CD2 3.44Å
225	R	48.4	Very low	48.8	Very low	146 Å²	146	95.2 Å²	95.2	55%	0.551	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.4	-15.8	176.4	-64.4	-170.8	-172.9	162.3	7.1	113.9	H223 Y227	H223-R225 PolarHBondContact O-N 3.44Å; R225-Y227 PolarHBondContact O-N 2.87Å
226	T	46	Very low	48.4	Very low	101 Å²	101	97.1 Å²	97.1	62%	0.62	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.9	-159.5	-42.3	0	0	0	0	113.8	H223	H223-T226 PolarHBondContact O-N 2.68Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 2.89Å
227	Y	52.2	Low	48.5	Very low	99 Å²	99	98.4 Å²	98.4	39%	0.388	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	10.7	-169.6	-47.6	-60.4	0	0	0	114.2	H223 R225 K229 F308	H223-Y227 HydrophobicContact CB-CE2 3.88Å; H223-Y227 AromaticContact ND1-CE2 3.58Å; H223-Y227 AromaticContact ND1-CZ 3.84Å; H223-Y227 PolarHBondContact ND1-OH 3.17Å; H223-Y227 VanDerWaalsContact ND1-OH 3.16Å; R225-Y227 PolarHBondContact O-N 2.87Å; Y227-K229 VanDerWaalsContact C-N 3.32Å; Y227-K229 PolarHBondContact O-N 3.06Å; Y227-F308 AromaticContact CD1-CE1 3.66Å; Y227-F308 HydrophobicContact CD1-CE1 3.66Å; Y227-F308 HydrophobicContact CD1-CZ 4.42Å; Y227-F308 AromaticContact CD2-CE1 3.67Å; Y227-F308 HydrophobicContact CD2-CE1 3.67Å; Y227-F308 AromaticContact CD2-CZ 3.74Å; Y227-F308 HydrophobicContact CD2-CZ 3.74Å; Y227-F308 AromaticContact CE1-CE1 3.79Å; Y227-F308 HydrophobicContact CE1-CE1 3.79Å; Y227-F308 HydrophobicContact CE1-CZ 4.28Å; Y227-F308 AromaticContact CE2-CE1 3.79Å; Y227-F308 HydrophobicContact CE2-CE1 3.79Å; Y227-F308 AromaticContact CE2-CZ 3.56Å; Y227-F308 HydrophobicContact CE2-CZ 3.56Å; Y227-F308 AromaticContact CG-CE1 3.59Å; Y227-F308 HydrophobicContact CG-CE1 3.59Å; Y227-F308 HydrophobicContact CG-CZ 4.16Å; Y227-F308 AromaticContact CZ-CE1 3.85Å; Y227-F308 AromaticContact CZ-CZ 3.85Å
228	L	56.8	Low	48.8	Very low	33 Å²	33	95.9 Å²	95.9	17%	0.173	50%	0.496	C	S	.	.			trans	-64.8	91.5	167.5	-78.6	166	0	0	0	109.5	Q230 H232 L233 P248 Y266	L228-Q230 PolarHBondContact O-N 2.92Å; L228-H232 HydrophobicContact CD2-CB 4.38Å; L228-L233 HydrophobicContact CB-CD1 4.03Å; L228-L233 HydrophobicContact CB-CG 4.41Å; L228-L233 HydrophobicContact CD1-CD2 4.45Å; L228-P248 HydrophobicContact CD1-CG 4.4Å; L228-P248 HydrophobicContact CD2-CB 4.28Å; L228-P248 HydrophobicContact CD2-CG 3.94Å; L228-Y266 VanDerWaalsContact CD2-O 3.32Å; L228-Y266 WeakPolarHBondContact CD2-O 3.48Å
229	K	55.5	Low	49.4	Very low	73 Å²	73	90.8 Å²	90.8	32%	0.317	47%	0.474	S	S	.	.			trans	-51.3	135.4	171.8	-62.4	-177.9	177.5	179.9	0	108.4	Y227 E231 H232 D310	Y227-K229 VanDerWaalsContact C-N 3.32Å; Y227-K229 PolarHBondContact O-N 3.06Å; K229-E231 HydrophobicContact CB-CG 4Å; K229-E231 WeakPolarHBondContact CB-OE1 3.32Å; K229-E231 WeakPolarHBondContact CD-OE1 3.26Å; K229-E231 PolarHBondContact O-N 3.39Å; K229-H232 WeakPolarHBondContact O-CB 3.3Å; K229-H232 PolarHBondContact O-N 2.91Å; K229-H232 PolarHBondContact O-ND1 3.45Å; K229-D310 VanDerWaalsContact CE-OD2 3.3Å; K229-D310 WeakPolarHBondContact CE-OD2 3.11Å; K229-D310 IonicContact NZ-OD1 3.44Å; K229-D310 PolarHBondContact NZ-OD1 3.08Å; K229-D310 IonicContact NZ-OD2 3.05Å; K229-D310 PolarHBondContact NZ-OD2 3Å
230	Q	54	Low	49.4	Very low	160 Å²	160	87.2 Å²	87.2	75%	0.748	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25.1	-167.3	-170.8	174.5	-3.3	0	0	114	L228 H232 L233 T234	L228-Q230 PolarHBondContact O-N 2.92Å; Q230-H232 VanDerWaalsContact C-N 3.28Å; Q230-H232 PolarHBondContact O-N 2.8Å; Q230-L233 CarbonylContact O-C 3.49Å; Q230-L233 WeakPolarHBondContact O-CA 3.47Å; Q230-L233 WeakPolarHBondContact O-CB 3.28Å; Q230-L233 PolarHBondContact O-N 3.1Å; Q230-T234 PolarHBondContact O-N 3.12Å
231	E	58	Low	49.3	Very low	118 Å²	118	89.3 Å²	89.3	55%	0.551	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-58.6	-30.3	170.9	65.8	-148.5	166.2	0	0	114.5	K229 L233 T234	K229-E231 HydrophobicContact CB-CG 4Å; K229-E231 WeakPolarHBondContact CB-OE1 3.32Å; K229-E231 WeakPolarHBondContact CD-OE1 3.26Å; K229-E231 PolarHBondContact O-N 3.39Å; E231-L233 PolarHBondContact O-N 3.22Å; E231-T234 PolarHBondContact O-OG1 2.87Å
232	H	56.3	Low	49.2	Very low	39 Å²	39	90.3 Å²	90.3	18%	0.181	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-79	2.9	171.9	-53.4	100.7	0	0	0	112.9	L228 K229 Q230	L228-H232 HydrophobicContact CD2-CB 4.38Å; K229-H232 WeakPolarHBondContact O-CB 3.3Å; K229-H232 PolarHBondContact O-N 2.91Å; K229-H232 PolarHBondContact O-ND1 3.45Å; Q230-H232 VanDerWaalsContact C-N 3.28Å; Q230-H232 PolarHBondContact O-N 2.8Å
233	L	55.2	Low	49.2	Very low	60 Å²	60	90.5 Å²	90.5	31%	0.314	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-127.6	15.7	-178.1	-60.7	174.2	0	0	0	112	L228 Q230 E231 M238 P248	L228-L233 HydrophobicContact CB-CD1 4.03Å; L228-L233 HydrophobicContact CB-CG 4.41Å; L228-L233 HydrophobicContact CD1-CD2 4.45Å; Q230-L233 CarbonylContact O-C 3.49Å; Q230-L233 WeakPolarHBondContact O-CA 3.47Å; Q230-L233 WeakPolarHBondContact O-CB 3.28Å; Q230-L233 PolarHBondContact O-N 3.1Å; E231-L233 PolarHBondContact O-N 3.22Å; L233-M238 HydrophobicContact CB-CE 3.7Å; L233-M238 HydrophobicContact CD2-CE 3.79Å; L233-M238 HydrophobicContact CG-CE 4.37Å; L233-M238 WeakPolarHBondContact O-CE 3.08Å; L233-P248 HydrophobicContact CD2-CB 4.4Å
234	T	45.9	Very low	49.3	Very low	107 Å²	107	95 Å²	95	66%	0.656	49%	0.493	S	S	*	.			trans	-102	114.3	175.9	48.8	0	0	0	0	112.9	Q230 E231	Q230-T234 PolarHBondContact O-N 3.12Å; E231-T234 PolarHBondContact O-OG1 2.87Å
235	G	47.8	Very low	49.8	Very low	54 Å²	54	96.1 Å²	96.1	56%	0.557	50%	0.497	S	S	*	.	S	Bend	trans	151.5	175.9	168.4	0	0	0	0	0	113.4	E237	G235-E237 PolarHBondContact O-N 3.49Å; G235-E237 VanDerWaalsContact O-N 3.15Å
236	E	46.5	Very low	50.6	Low	204 Å²	204	94.1 Å²	94.1	95%	0.953	50%	0.497	S	S	*	.	S	Bend	trans	-70.4	3.4	165.7	-62.2	-167.6	131.4	0	0	112.4	M238	E236-M238 VanDerWaalsContact C-N 3.25Å; E236-M238 PolarHBondContact O-N 3.09Å
237	E	50.3	Low	51.9	Low	71 Å²	71	90.4 Å²	90.4	33%	0.332	47%	0.473	S	S	.	.			trans	-87.8	55.6	-170.4	-56.7	-164	170.6	0	0	111.4	Q201 G235 L249	Q201-E237 PolarHBondContact NE2-OE1 2.78Å; G235-E237 PolarHBondContact O-N 3.49Å; G235-E237 VanDerWaalsContact O-N 3.15Å; E237-L249 VanDerWaalsContact C-CD1 3.42Å; E237-L249 HydrophobicContact CB-CB 4.46Å; E237-L249 HydrophobicContact CB-CD1 4.08Å; E237-L249 WeakPolarHBondContact O-CD1 3.4Å; E237-L249 WeakPolarHBondContact O-CG 3.44Å
238	M	48.7	Very low	53.5	Low	50 Å²	50	85.8 Å²	85.8	25%	0.246	46%	0.455	C	S	.	.			trans	-136.6	110.3	173.9	-67.9	-173.6	179.9	0	0	110.8	L233 E236 L246	L233-M238 HydrophobicContact CB-CE 3.7Å; L233-M238 HydrophobicContact CD2-CE 3.79Å; L233-M238 HydrophobicContact CG-CE 4.37Å; L233-M238 WeakPolarHBondContact O-CE 3.08Å; E236-M238 VanDerWaalsContact C-N 3.25Å; E236-M238 PolarHBondContact O-N 3.09Å; M238-L246 HydrophobicContact CB-CD2 4.28Å; M238-L246 HydrophobicContact SD-CB 3.88Å; M238-L246 HydrophobicContact SD-CD1 3.82Å; M238-L246 HydrophobicContact SD-CD2 3.83Å; M238-L246 HydrophobicContact SD-CG 4.04Å
239	I	50.8	Low	54.9	Low	79 Å²	79	85.1 Å²	85.1	41%	0.405	45%	0.452	S	S	.	.			trans	-91.1	117.9	173.3	-56	175.5	0	0	0	108.6	W200 R241 L249	W200-I239 HydrophobicContact CE3-CD1 4.31Å; W200-I239 HydrophobicContact CZ3-CD1 3.92Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 HydrophobicContact CG2-CG 4.01Å; I239-R241 PolarHBondContact O-N 3.34Å; I239-L249 HydrophobicContact CG1-CD1 4.23Å
240	T	43	Very low	56.4	Low	98 Å²	98	81.6 Å²	81.6	60%	0.601	44%	0.436	S	S	*	.			trans	-66	83.5	175	-37.3	0	0	0	0	111.2
241	R	45.3	Very low	58	Low	74 Å²	74	77.1 Å²	77.1	28%	0.279	42%	0.421	S	S	.	.			trans	-93.6	123.5	172.5	-74.9	-172.2	154.2	-126.3	-15.5	109.3	Y207 P209 I239 C258	Y207-R241 PolarHBondContact O-NH2 2.64Å; P209-R241 VanDerWaalsContact CD-NH2 3.29Å; P209-R241 PolarHBondContact O-NH1 3.01Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 HydrophobicContact CG2-CG 4.01Å; I239-R241 PolarHBondContact O-N 3.34Å; R241-C258 PolarHBondContact NH1-SG 2.88Å
242	M	39.1	Very low	59.1	Low	158 Å²	158	72.9 Å²	72.9	78%	0.778	40%	0.402	S	S	*	.	S	Bend	trans	61.5	52	-176.9	-51.4	-162.4	-61.5	0	0	114.2	L211 Q244	L211-M242 HydrophobicContact CD2-CE 4.09Å; M242-Q244 VanDerWaalsContact C-N 3.3Å; M242-Q244 PolarHBondContact O-N 3.05Å
243	G	42.2	Very low	60.5	Low	64 Å²	64	71 Å²	71	66%	0.66	39%	0.393	S	S	*	.	S	Bend	trans	78.7	-44.7	151.7	0	0	0	0	0	118.1
244	Q	48.9	Very low	61.8	Low	192 Å²	192	69 Å²	69	90%	0.897	38%	0.381	S	S	*	.	S	Bend	trans	-138.9	-7.1	-168.9	-71.3	-177.5	-37.7	0	0	115.2	M242	M242-Q244 VanDerWaalsContact C-N 3.3Å; M242-Q244 PolarHBondContact O-N 3.05Å
245	V	55.3	Low	63.3	Low	38 Å²	38	64.6 Å²	64.6	23%	0.23	36%	0.355	C	S	.	.			trans	-103.8	120.4	-176.5	-173.9	0	0	0	0	110.8	L247	V245-L247 HydrophobicContact CG1-CD2 3.62Å; V245-L247 HydrophobicContact CG1-CG 4.01Å
246	L	64.3	Low	64.6	Low	104 Å²	104	62 Å²	62	55%	0.545	33%	0.328	S	S	.	.			trans	-80.3	122.8	163	-57.8	175.6	0	0	0	107.6	M238	M238-L246 HydrophobicContact CB-CD2 4.28Å; M238-L246 HydrophobicContact SD-CB 3.88Å; M238-L246 HydrophobicContact SD-CD1 3.82Å; M238-L246 HydrophobicContact SD-CD2 3.83Å; M238-L246 HydrophobicContact SD-CG 4.04Å
247	L	74.3	Confident	65.9	Low	24 Å²	24	52.5 Å²	52.5	13%	0.126	28%	0.284	C	S	.	.			trans	-112.9	142.7	172.3	-64.4	179.9	0	0	0	108.2	V245 Y266 N366	V245-L247 HydrophobicContact CG1-CD2 3.62Å; V245-L247 HydrophobicContact CG1-CG 4.01Å; L247-Y266 HydrophobicContact CD1-CE1 4.09Å; L247-Y266 HydrophobicContact CD2-CD1 3.98Å; L247-Y266 HydrophobicContact CD2-CD2 4.37Å; L247-Y266 HydrophobicContact CD2-CE1 3.69Å; L247-Y266 HydrophobicContact CD2-CE2 4.12Å; L247-Y266 HydrophobicContact CD2-CG 4.31Å; L247-Y266 HydrophobicContact CG-CE1 4.45Å; L247-N366 HydrophobicContact CB-CB 4.34Å
248	P	84.4	Confident	67.4	Low	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.27	C	S	.	.			trans	-63.5	155.8	174.2	32	-38.5	0	0	0	110.1	L228 L233 N366 W368	L228-P248 HydrophobicContact CD1-CG 4.4Å; L228-P248 HydrophobicContact CD2-CB 4.28Å; L228-P248 HydrophobicContact CD2-CG 3.94Å; L233-P248 HydrophobicContact CD2-CB 4.4Å; P248-N366 WeakPolarHBondContact CG-O 3.22Å; P248-N366 WeakPolarHBondContact O-CA 3.29Å; P248-N366 PolarHBondContact O-ND2 2.86Å; P248-W368 HydrophobicContact CB-CH2 3.93Å; P248-W368 HydrophobicContact CB-CZ3 4.1Å; P248-W368 HydrophobicContact CG-CZ3 4.34Å
249	L	86.7	Confident	68.8	Low	19 Å²	19	47 Å²	47	10%	0.099	26%	0.258	C	S	.	.			trans	-109.9	137.6	173.1	-67.4	-173.6	0	0	0	110.9	W200 E237 I239 D365 W368	W200-L249 HydrophobicContact CD2-CB 4.26Å; W200-L249 HydrophobicContact CD2-CD1 3.75Å; W200-L249 HydrophobicContact CD2-CG 4.43Å; W200-L249 HydrophobicContact CE3-CD1 3.81Å; W200-L249 HydrophobicContact CG-CB 4.45Å; W200-L249 HydrophobicContact CG-CD1 4.12Å; W200-L249 HydrophobicContact CH2-CD2 3.92Å; W200-L249 HydrophobicContact CZ2-CB 4.22Å; W200-L249 HydrophobicContact CZ2-CD2 3.96Å; W200-L249 HydrophobicContact CZ2-CG 4.46Å; W200-L249 HydrophobicContact CZ3-CD1 4.22Å; W200-L249 HydrophobicContact CZ3-CD2 4.22Å; E237-L249 VanDerWaalsContact C-CD1 3.42Å; E237-L249 HydrophobicContact CB-CB 4.46Å; E237-L249 HydrophobicContact CB-CD1 4.08Å; E237-L249 WeakPolarHBondContact O-CD1 3.4Å; E237-L249 WeakPolarHBondContact O-CG 3.44Å; I239-L249 HydrophobicContact CG1-CD1 4.23Å; L249-D365 CarbonylContact C-O 3.56Å; L249-D365 VanDerWaalsContact CA-O 3.3Å; L249-D365 WeakPolarHBondContact CA-O 3.37Å; L249-W368 WeakPolarHBondContact O-CH2 3.32Å; L249-W368 WeakPolarHBondContact O-CZ3 3.4Å
250	N	87.8	Confident	70.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.			trans	-64.5	123.7	-177.4	-176.3	-33.2	0	0	0	111.3	W200 L252 G253 T255 T364 D365 W368	W200-N250 PolarHBondContact NE1-O 2.91Å; N250-L252 PolarHBondContact O-N 3.48Å; N250-L252 WeakPolarHBondContact OD1-CB 3.3Å; N250-L252 PolarHBondContact OD1-N 2.61Å; N250-G253 WeakPolarHBondContact O-CA 3.49Å; N250-G253 PolarHBondContact O-N 3.03Å; N250-T255 HydrophobicContact CB-CG2 4.31Å; N250-T255 WeakPolarHBondContact ND2-CG2 3.3Å; N250-T364 WeakPolarHBondContact CB-O 3.47Å; N250-T364 PolarHBondContact ND2-O 2.81Å; N250-D365 PolarHBondContact N-O 3.03Å; N250-W368 HydrophobicContact CB-CE3 3.85Å; N250-W368 HydrophobicContact CB-CZ3 4.26Å
251	P	88	Confident	71.7	Confident	65 Å²	65	39.7 Å²	39.7	42%	0.422	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.5	-175.1	28	-35.8	0	0	0	114	G253 V357 W368	P251-G253 PolarHBondContact O-N 3.49Å; P251-V357 HydrophobicContact CG-CB 4.13Å; P251-V357 HydrophobicContact CG-CG1 4.39Å; P251-V357 HydrophobicContact CG-CG2 3.57Å; P251-W368 HydrophobicContact CG-CZ2 4.35Å
252	L	81.3	Confident	72.9	Confident	29 Å²	29	39.8 Å²	39.8	15%	0.152	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.9	168.9	-61	-177.3	0	0	0	113.1	K198 N250 V357	K198-L252 VanDerWaalsContact CE-O 3.28Å; K198-L252 WeakPolarHBondContact CE-O 3.44Å; K198-L252 WeakPolarHBondContact CG-O 3.03Å; N250-L252 PolarHBondContact O-N 3.48Å; N250-L252 WeakPolarHBondContact OD1-CB 3.3Å; N250-L252 PolarHBondContact OD1-N 2.61Å; L252-V357 HydrophobicContact CD1-CB 4.49Å; L252-V357 HydrophobicContact CD1-CG1 3.8Å; L252-V357 HydrophobicContact CD2-CB 4.49Å; L252-V357 HydrophobicContact CG-CB 4.2Å; L252-V357 HydrophobicContact CG-CG1 3.79Å
253	G	84.5	Confident	74.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.			trans	98.2	-156.3	-179.8	0	0	0	0	0	114.2	K198 N250 P251 T255	K198-G253 CarbonylContact O-C 3.44Å; K198-G253 WeakPolarHBondContact O-CA 3.24Å; N250-G253 WeakPolarHBondContact O-CA 3.49Å; N250-G253 PolarHBondContact O-N 3.03Å; P251-G253 PolarHBondContact O-N 3.49Å; G253-T255 PolarHBondContact O-N 2.79Å
254	R	83.3	Confident	76.1	Confident	17 Å²	17	33.7 Å²	33.7	6%	0.064	18%	0.176	C	C	.	.			trans	-70.7	116.2	-177.6	-69.1	176.2	-177.8	100.3	11	111.5	A193 K197 K198 Q199 W200 Q202 Y207	A193-R254 HydrophobicContact CB-CB 4.02Å; K197-R254 PolarHBondContact O-NH1 3.29Å; K198-R254 WeakPolarHBondContact O-CB 3.48Å; K198-R254 WeakPolarHBondContact O-CG 3.44Å; K198-R254 PolarHBondContact O-N 2.77Å; Q199-R254 PolarHBondContact O-NH1 3.19Å; W200-R254 HydrophobicContact CD2-CG 4.2Å; W200-R254 HydrophobicContact CE3-CG 3.82Å; W200-R254 HydrophobicContact CH2-CB 4.49Å; W200-R254 HydrophobicContact CH2-CG 3.65Å; W200-R254 HydrophobicContact CZ2-CG 4.03Å; W200-R254 HydrophobicContact CZ3-CG 3.54Å; W200-R254 PolarHBondContact O-NH2 3.41Å; Q202-R254 PolarHBondContact O-NH1 2.82Å; Q202-R254 PolarHBondContact O-NH2 3.32Å; Y207-R254 HydrophobicContact CD1-CG 4.12Å; Y207-R254 HydrophobicContact CD2-CG 4.33Å; Y207-R254 HydrophobicContact CE1-CB 4.2Å; Y207-R254 HydrophobicContact CE1-CG 3.69Å; Y207-R254 HydrophobicContact CE2-CB 3.79Å; Y207-R254 HydrophobicContact CE2-CG 3.93Å; Y207-R254 HydrophobicContact CG-CG 4.43Å
255	T	76.2	Confident	77.4	Confident	16 Å²	16	25.2 Å²	25.2	10%	0.098	14%	0.137	C	C	.	.			trans	-97.3	-12.4	179.9	76.4	0	0	0	0	113.3	R190 N250 G253 N363 T364 D365	R190-T255 WeakPolarHBondContact CD-O 3.33Å; R190-T255 PolarHBondContact NH1-O 2.78Å; R190-T255 PolarHBondContact NH1-OG1 2.88Å; N250-T255 HydrophobicContact CB-CG2 4.31Å; N250-T255 WeakPolarHBondContact ND2-CG2 3.3Å; G253-T255 PolarHBondContact O-N 2.79Å; T255-N363 HydrophobicContact CG2-CB 4.46Å; T255-T364 WeakPolarHBondContact CG2-O 3.3Å; T255-T364 VanDerWaalsContact OG1-CA 3.25Å; T255-T364 WeakPolarHBondContact OG1-CA 3.48Å; T255-D365 WeakPolarHBondContact CA-OD1 3.12Å; T255-D365 WeakPolarHBondContact CB-OD1 3.11Å; T255-D365 PolarHBondContact N-OD1 2.81Å; T255-D365 PolarHBondContact OG1-N 2.98Å; T255-D365 PolarHBondContact OG1-OD1 2.99Å
256	G	74.9	Confident	78.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	92	7.2	179.6	0	0	0	0	0	116.3	R190 L191 Y207 P210 D365	R190-G256 CarbonylContact C-O 3.59Å; R190-G256 WeakPolarHBondContact CA-O 3.47Å; L191-G256 WeakPolarHBondContact CB-O 3.42Å; L191-G256 PolarHBondContact N-O 3.13Å; L191-G256 WeakPolarHBondContact O-CA 3.08Å; Y207-G256 VanDerWaalsContact OH-CA 3.26Å; Y207-G256 WeakPolarHBondContact OH-CA 3.44Å; Y207-G256 PolarHBondContact OH-N 3.21Å; P210-G256 WeakPolarHBondContact CD-O 3.41Å; G256-D365 PolarHBondContact N-OD1 3.34Å
257	I	75.5	Confident	79.9	Confident	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.104	C	C	.	.			trans	-152.1	137.9	-179.6	-159.5	162.8	0	0	0	109.8	L188 P210 Y212 T364 D365	L188-I257 HydrophobicContact CD2-CD1 3.44Å; L188-I257 VanDerWaalsContact CD2-CD1 3.44Å; L188-I257 HydrophobicContact CD2-CG2 4.4Å; L188-I257 HydrophobicContact CG-CD1 3.7Å; P210-I257 HydrophobicContact CG-CG1 4.25Å; P210-I257 WeakPolarHBondContact O-CG1 3.34Å; Y212-I257 VanDerWaalsContact CB-CD1 3.42Å; Y212-I257 HydrophobicContact CD1-CD1 4.04Å; Y212-I257 HydrophobicContact CG-CD1 3.99Å; I257-T364 HydrophobicContact CG2-CG2 3.78Å; I257-T364 WeakPolarHBondContact O-CB 3.39Å; I257-D365 VanDerWaalsContact O-CB 3.3Å; I257-D365 WeakPolarHBondContact O-CB 3.33Å; I257-D365 PolarHBondContact O-N 2.67Å
258	C	81.7	Confident	80.6	Confident	6 Å²	6	19 Å²	19	4%	0.041	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	163.3	178.8	64.3	0	0	0	0	111.5	P209 P210 L211 Y212 R241 D365 N366	P209-C258 HydrophobicContact CG-CB 4.21Å; P210-C258 PolarHBondContact O-N 2.85Å; P210-C258 PolarHBondContact O-SG 3.4Å; P210-C258 VanDerWaalsContact O-SG 3.33Å; L211-C258 CarbonylContact C-O 3.6Å; L211-C258 WeakPolarHBondContact CA-O 3.42Å; Y212-C258 PolarHBondContact N-O 3.07Å; R241-C258 PolarHBondContact NH1-SG 2.88Å; C258-D365 HydrophobicContact CB-CB 4.43Å; C258-N366 WeakPolarHBondContact CA-OD1 3.22Å; C258-N366 VanDerWaalsContact CB-OD1 3.23Å; C258-N366 WeakPolarHBondContact CB-OD1 3.49Å
259	G	77.7	Confident	80.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-179.1	-167.8	0	0	0	0	0	112.5	Y212 G261 T364 N366	Y212-G259 CarbonylContact O-C 3.56Å; G259-G261 VanDerWaalsContact C-N 3.34Å; G259-T364 VanDerWaalsContact O-CB 3.29Å; G259-T364 WeakPolarHBondContact O-CB 3.34Å; G259-T364 WeakPolarHBondContact O-CG2 3.4Å; G259-T364 PolarHBondContact O-OG1 3.02Å; G259-N366 PolarHBondContact N-OD1 2.77Å
260	K	77.4	Confident	80.9	Confident	24 Å²	24	18.9 Å²	18.9	10%	0.104	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-26.9	179	-65	-173	173.1	-176.4	0	113.6	C220 L262 L263 D264 E265 Y266	C220-K260 PolarHBondContact O-NZ 2.99Å; K260-L262 PolarHBondContact O-N 2.81Å; K260-L263 WeakPolarHBondContact CB-O 2.96Å; K260-L263 PolarHBondContact O-N 3.33Å; K260-D264 WeakPolarHBondContact CD-O 3.25Å; K260-D264 WeakPolarHBondContact CE-O 3.26Å; K260-D264 PolarHBondContact NZ-O 3.41Å; K260-E265 IonicContact NZ-OE2 3.21Å; K260-Y266 HydrophobicContact CD-CD2 4.37Å; K260-Y266 HydrophobicContact CD-CE2 4.32Å; K260-Y266 HydrophobicContact CG-CD1 4.03Å; K260-Y266 HydrophobicContact CG-CD2 3.83Å; K260-Y266 HydrophobicContact CG-CE1 3.92Å; K260-Y266 HydrophobicContact CG-CE2 3.7Å; K260-Y266 HydrophobicContact CG-CG 3.99Å
261	G	77	Confident	80.9	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.1	-116	-175.6	0	0	0	0	0	113.3	Y212 I214 G259	Y212-G261 WeakPolarHBondContact O-CA 3.38Å; Y212-G261 PolarHBondContact O-N 3.06Å; I214-G261 PolarHBondContact N-O 2.83Å; I214-G261 VanDerWaalsContact N-O 3.12Å; G259-G261 VanDerWaalsContact C-N 3.34Å
262	L	70.3	Confident	80.9	Confident	75 Å²	75	16.1 Å²	16.1	39%	0.393	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	16	179.8	-63.1	177.6	0	0	0	112.8	L188 Y212 I214 K260 R362	L188-L262 HydrophobicContact CD1-CD1 4.14Å; L188-L262 HydrophobicContact CD1-CG 4.2Å; Y212-L262 HydrophobicContact CE1-CD2 4.03Å; Y212-L262 HydrophobicContact CE1-CG 4.16Å; I214-L262 HydrophobicContact CD1-CD2 4.32Å; K260-L262 PolarHBondContact O-N 2.81Å; L262-R362 HydrophobicContact CB-CB 4.24Å; L262-R362 HydrophobicContact CB-CG 3.97Å; L262-R362 HydrophobicContact CD1-CG 4.3Å
263	L	76.5	Confident	81.3	Confident	5 Å²	5	14.8 Å²	14.8	3%	0.026	8%	0.075	C	C	.	.	S	Bend	trans	-110.2	147.9	174.7	-63.7	175.2	0	0	0	108.8	K260 E265 R362 S367 V369	K260-L263 WeakPolarHBondContact CB-O 2.96Å; K260-L263 PolarHBondContact O-N 3.33Å; L263-E265 VanDerWaalsContact C-N 3.26Å; L263-E265 PolarHBondContact O-N 2.79Å; L263-R362 HydrophobicContact CD1-CB 4.44Å; L263-R362 HydrophobicContact CD2-CB 4Å; L263-R362 HydrophobicContact CG-CB 4Å; L263-S367 VanDerWaalsContact CB-OG 3.3Å; L263-S367 WeakPolarHBondContact CB-OG 3.44Å; L263-S367 WeakPolarHBondContact CD1-OG 3.36Å; L263-V369 HydrophobicContact CD1-CG2 4.28Å; L263-V369 HydrophobicContact CD2-CG2 4.13Å
264	D	71.5	Confident	81.5	Confident	89 Å²	89	14.8 Å²	14.8	48%	0.476	8%	0.075	S	C	.	.	S	Bend	trans	-74.5	-18.5	-170.1	-51.1	-53.8	0	0	0	113	K260	K260-D264 WeakPolarHBondContact CD-O 3.25Å; K260-D264 WeakPolarHBondContact CE-O 3.26Å; K260-D264 PolarHBondContact NZ-O 3.41Å
265	E	77.2	Confident	81.6	Confident	15 Å²	15	14 Å²	14	7%	0.07	7%	0.072	C	C	.	.	S	Bend	trans	-130	166.5	-172.9	-79.2	-57.9	157.6	0	0	113.9	H223 G224 K260 L263 N307 S367	H223-E265 VanDerWaalsContact CB-OE1 3.29Å; H223-E265 WeakPolarHBondContact CB-OE1 3.38Å; G224-E265 WeakPolarHBondContact CA-OE1 3.36Å; G224-E265 WeakPolarHBondContact CA-OE2 3.33Å; G224-E265 PolarHBondContact N-OE1 3.18Å; K260-E265 IonicContact NZ-OE2 3.21Å; L263-E265 VanDerWaalsContact C-N 3.26Å; L263-E265 PolarHBondContact O-N 2.79Å; E265-N307 HydrophobicContact CG-CB 4.41Å; E265-N307 WeakPolarHBondContact CG-ND2 3.11Å; E265-S367 WeakPolarHBondContact O-CB 3.47Å; E265-S367 PolarHBondContact O-OG 3.23Å
266	Y	84	Confident	82.1	Confident	25 Å²	25	13.4 Å²	13.4	10%	0.098	7%	0.068	C	C	.	.	S	Bend	trans	-87	146.5	163.3	-75	-74.6	0	0	0	110	Q213 G224 L228 L247 K260 N366	Q213-Y266 PolarHBondContact NE2-OH 3.3Å; G224-Y266 WeakPolarHBondContact O-CD2 3.44Å; L228-Y266 VanDerWaalsContact CD2-O 3.32Å; L228-Y266 WeakPolarHBondContact CD2-O 3.48Å; L247-Y266 HydrophobicContact CD1-CE1 4.09Å; L247-Y266 HydrophobicContact CD2-CD1 3.98Å; L247-Y266 HydrophobicContact CD2-CD2 4.37Å; L247-Y266 HydrophobicContact CD2-CE1 3.69Å; L247-Y266 HydrophobicContact CD2-CE2 4.12Å; L247-Y266 HydrophobicContact CD2-CG 4.31Å; L247-Y266 HydrophobicContact CG-CE1 4.45Å; K260-Y266 HydrophobicContact CD-CD2 4.37Å; K260-Y266 HydrophobicContact CD-CE2 4.32Å; K260-Y266 HydrophobicContact CG-CD1 4.03Å; K260-Y266 HydrophobicContact CG-CD2 3.83Å; K260-Y266 HydrophobicContact CG-CE1 3.92Å; K260-Y266 HydrophobicContact CG-CE2 3.7Å; K260-Y266 HydrophobicContact CG-CG 3.99Å; Y266-N366 WeakPolarHBondContact CA-O 3.49Å; Y266-N366 HydrophobicContact CD1-CB 3.69Å; Y266-N366 WeakPolarHBondContact CD1-O 3.45Å; Y266-N366 HydrophobicContact CE1-CB 3.9Å
267	G	87.2	Confident	82.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81	-148.6	-175.1	0	0	0	0	0	112.9	T269 N366 S367 W368	G267-T269 PolarHBondContact O-N 2.92Å; G267-N366 PolarHBondContact N-O 3.01Å; G267-S367 CarbonylContact O-C 3.54Å; G267-S367 VanDerWaalsContact O-CA 3.3Å; G267-S367 WeakPolarHBondContact O-CA 3.45Å; G267-S367 PolarHBondContact O-OG 3.33Å; G267-W368 PolarHBondContact O-N 3.27Å
268	P	89.4	Confident	83.2	Confident	10 Å²	10	13.8 Å²	13.8	7%	0.065	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.2	-178.9	28.7	-33.7	0	0	0	112.9	Y270 W368 Q370	P268-Y270 HydrophobicContact CB-CD1 4.38Å; P268-Y270 HydrophobicContact CB-CD2 4.43Å; P268-Y270 HydrophobicContact CB-CE1 3.94Å; P268-Y270 HydrophobicContact CB-CE2 3.98Å; P268-Y270 HydrophobicContact CG-CE1 4.14Å; P268-Y270 HydrophobicContact CG-CE2 3.82Å; P268-Y270 VanDerWaalsContact CG-OH 3.31Å; P268-Y270 WeakPolarHBondContact CG-OH 3.49Å; P268-W368 CarbonylContact C-O 3.57Å; P268-W368 WeakPolarHBondContact CA-O 3.36Å; P268-Q370 HydrophobicContact CB-CB 3.98Å
269	T	86.6	Confident	83.3	Confident	3 Å²	3	13.7 Å²	13.7	2%	0.018	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.9	154.2	-61.5	0	0	0	0	107.6	G267 F305 W368 V369 Q370	G267-T269 PolarHBondContact O-N 2.92Å; T269-F305 HydrophobicContact CG2-CB 4.19Å; T269-F305 HydrophobicContact CG2-CD1 4.08Å; T269-F305 HydrophobicContact CG2-CG 4.5Å; T269-W368 PolarHBondContact N-O 3.03Å; T269-V369 WeakPolarHBondContact O-CA 3.48Å; T269-Q370 PolarHBondContact O-N 2.78Å; T269-Q370 VanDerWaalsContact O-N 3.12Å
270	Y	90.3	Very high	83.8	Confident	15 Å²	15	15.1 Å²	15.1	6%	0.059	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.8	-169.8	-56.3	-95.2	0	0	0	111.6	P268 F305 T306 P309 Q370 I372	P268-Y270 HydrophobicContact CB-CD1 4.38Å; P268-Y270 HydrophobicContact CB-CD2 4.43Å; P268-Y270 HydrophobicContact CB-CE1 3.94Å; P268-Y270 HydrophobicContact CB-CE2 3.98Å; P268-Y270 HydrophobicContact CG-CE1 4.14Å; P268-Y270 HydrophobicContact CG-CE2 3.82Å; P268-Y270 VanDerWaalsContact CG-OH 3.31Å; P268-Y270 WeakPolarHBondContact CG-OH 3.49Å; Y270-F305 CarbonylContact O-C 3.53Å; Y270-F305 VanDerWaalsContact O-CA 3.26Å; Y270-F305 WeakPolarHBondContact O-CA 3.38Å; Y270-T306 WeakPolarHBondContact CB-O 3.47Å; Y270-T306 PolarHBondContact N-O 2.63Å; Y270-T306 PolarHBondContact O-N 3.11Å; Y270-P309 HydrophobicContact CD1-CG 3.95Å; Y270-P309 VanDerWaalsContact CD2-CD 3.44Å; Y270-P309 HydrophobicContact CD2-CG 3.68Å; Y270-P309 HydrophobicContact CE1-CG 4.11Å; Y270-P309 HydrophobicContact CE2-CG 3.88Å; Y270-P309 HydrophobicContact CG-CB 4.26Å; Y270-P309 HydrophobicContact CG-CG 3.7Å; Y270-Q370 CarbonylContact C-O 3.6Å; Y270-Q370 VanDerWaalsContact CA-O 3.27Å; Y270-Q370 WeakPolarHBondContact CA-O 3.38Å; Y270-Q370 HydrophobicContact CD1-CB 3.95Å; Y270-Q370 HydrophobicContact CD1-CG 3.97Å; Y270-Q370 HydrophobicContact CE1-CB 4.32Å; Y270-Q370 HydrophobicContact CE1-CG 4.14Å; Y270-I372 HydrophobicContact CD1-CD1 3.44Å; Y270-I372 VanDerWaalsContact CD1-CD1 3.44Å; Y270-I372 HydrophobicContact CD1-CG1 4.06Å; Y270-I372 HydrophobicContact CE1-CD1 3.98Å; Y270-I372 HydrophobicContact CG-CD1 4.21Å
271	L	87.4	Confident	84.1	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	100.7	166.5	-179.6	53.6	0	0	0	108.6	I273 Q303 F305 V369 Q370 V371 I372 L474	L271-I273 HydrophobicContact CD2-CD1 4.36Å; L271-I273 HydrophobicContact CG-CD1 4.15Å; L271-I273 HydrophobicContact CG-CG1 4.13Å; L271-Q303 HydrophobicContact CD1-CB 4.2Å; L271-F305 HydrophobicContact CB-CD1 3.99Å; L271-F305 HydrophobicContact CB-CE1 3.71Å; L271-F305 HydrophobicContact CB-CZ 4.42Å; L271-F305 HydrophobicContact CD1-CD1 4.18Å; L271-F305 HydrophobicContact CD1-CD2 4.46Å; L271-F305 HydrophobicContact CD1-CE1 3.9Å; L271-F305 HydrophobicContact CD1-CE2 4.17Å; L271-F305 HydrophobicContact CD1-CG 4.43Å; L271-F305 HydrophobicContact CD1-CZ 3.85Å; L271-F305 HydrophobicContact CD2-CE1 4.08Å; L271-F305 HydrophobicContact CD2-CZ 4.03Å; L271-F305 HydrophobicContact CG-CE1 4.11Å; L271-F305 HydrophobicContact CG-CZ 4.33Å; L271-V369 HydrophobicContact CB-CG1 3.96Å; L271-Q370 PolarHBondContact N-O 2.93Å; L271-V371 HydrophobicContact CB-CG2 4.07Å; L271-V371 HydrophobicContact CD2-CG2 4.12Å; L271-V371 HydrophobicContact CG-CG2 4.36Å; L271-V371 WeakPolarHBondContact O-CA 2.99Å; L271-I372 PolarHBondContact O-N 2.76Å; L271-L474 HydrophobicContact CD2-CD1 3.88Å; L271-L474 HydrophobicContact CD2-CD2 3.79Å; L271-L474 HydrophobicContact CD2-CG 4.43Å
272	V	89.8	Confident	84.4	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.1	-178	178.9	0	0	0	0	109.6	Q303 S304 T306 P309	V272-Q303 WeakPolarHBondContact O-CA 3.42Å; V272-S304 PolarHBondContact N-O 3.45Å; V272-S304 PolarHBondContact O-N 3.42Å; V272-S304 VanDerWaalsContact O-N 3.17Å; V272-T306 HydrophobicContact CG2-CG2 3.67Å; V272-P309 HydrophobicContact CG2-CB 3.92Å
273	I	89.1	Confident	84.9	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	94.1	-175.4	-51.6	-177.4	0	0	0	109.2	L271 I275 L301 P302 Q303 V371 I372 L373 T374 F481	L271-I273 HydrophobicContact CD2-CD1 4.36Å; L271-I273 HydrophobicContact CG-CD1 4.15Å; L271-I273 HydrophobicContact CG-CG1 4.13Å; I273-I275 PolarHBondContact O-N 2.88Å; I273-L301 HydrophobicContact CG2-CB 4.01Å; I273-L301 HydrophobicContact CG2-CD1 4Å; I273-P302 WeakPolarHBondContact CG2-O 3.13Å; I273-Q303 HydrophobicContact CD1-CB 4.24Å; I273-Q303 HydrophobicContact CG1-CB 3.81Å; I273-Q303 HydrophobicContact CG2-CB 4.48Å; I273-V371 HydrophobicContact CD1-CG1 4.03Å; I273-I372 PolarHBondContact N-O 2.81Å; I273-L373 HydrophobicContact CB-CD1 3.68Å; I273-L373 HydrophobicContact CG2-CD1 3.49Å; I273-L373 VanDerWaalsContact CG2-CD1 3.49Å; I273-L373 WeakPolarHBondContact O-CA 3.48Å; I273-T374 PolarHBondContact O-N 2.6Å; I273-T374 VanDerWaalsContact O-N 3.13Å; I273-F481 HydrophobicContact CD1-CD2 3.76Å; I273-F481 HydrophobicContact CD1-CE2 3.61Å
274	P	87.8	Confident	85.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.5	179.6	34.5	-38	0	0	0	112.3	M276 P302 L314	P274-M276 VanDerWaalsContact C-N 3.34Å; P274-M276 HydrophobicContact CB-CE 4.36Å; P274-M276 HydrophobicContact CB-CG 4.11Å; P274-M276 HydrophobicContact CG-CE 4.1Å; P274-M276 PolarHBondContact O-N 2.82Å; P274-P302 WeakPolarHBondContact CD-O 3.45Å; P274-P302 HydrophobicContact CG-CB 4.12Å; P274-P302 HydrophobicContact CG-CG 4.49Å; P274-L314 HydrophobicContact CB-CD2 3.55Å; P274-L314 HydrophobicContact CG-CB 4.09Å; P274-L314 HydrophobicContact CG-CD2 3.95Å
275	I	85.5	Confident	86	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	89.4	166.3	-60.7	160.9	0	0	0	108	I273 L277 L286 L301 L353 L373 T374 V375 Y376 V485	I273-I275 PolarHBondContact O-N 2.88Å; I275-L277 HydrophobicContact CG2-CD1 3.93Å; I275-L277 HydrophobicContact CG2-CG 4.14Å; I275-L286 HydrophobicContact CG2-CD1 4.04Å; I275-L301 HydrophobicContact CD1-CD1 4.48Å; I275-L301 HydrophobicContact CG1-CD1 3.77Å; I275-L301 HydrophobicContact CG1-CD2 4.26Å; I275-L353 HydrophobicContact CD1-CD1 3.8Å; I275-L373 HydrophobicContact CD1-CD1 3.66Å; I275-L373 HydrophobicContact CD1-CD2 4.25Å; I275-L373 HydrophobicContact CD1-CG 3.9Å; I275-L373 HydrophobicContact CG1-CD1 3.99Å; I275-T374 WeakPolarHBondContact CA-O 3.43Å; I275-T374 WeakPolarHBondContact CB-O 3.32Å; I275-T374 PolarHBondContact N-O 3.25Å; I275-V375 HydrophobicContact CB-CG2 4.12Å; I275-V375 HydrophobicContact CD1-CG2 3.76Å; I275-V375 HydrophobicContact CG2-CG2 4.3Å; I275-Y376 PolarHBondContact O-N 2.86Å; I275-V485 HydrophobicContact CB-CG2 4.27Å; I275-V485 HydrophobicContact CD1-CG2 3.66Å; I275-V485 HydrophobicContact CG1-CG2 3.65Å; I275-V485 HydrophobicContact CG2-CB 4.45Å; I275-V485 HydrophobicContact CG2-CG1 4.05Å; I275-V485 HydrophobicContact CG2-CG2 3.57Å
276	M	86.8	Confident	86.5	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	178.9	-67.6	-173.1	-81.2	0	0	111.5	P274 L286 F287 P302 L314 L318 Y376 L384 W400	P274-M276 VanDerWaalsContact C-N 3.34Å; P274-M276 HydrophobicContact CB-CE 4.36Å; P274-M276 HydrophobicContact CB-CG 4.11Å; P274-M276 HydrophobicContact CG-CE 4.1Å; P274-M276 PolarHBondContact O-N 2.82Å; M276-L286 WeakPolarHBondContact O-CA 3.4Å; M276-F287 HydrophobicContact CB-CB 3.86Å; M276-F287 HydrophobicContact CE-CB 4.35Å; M276-F287 HydrophobicContact CE-CD1 3.45Å; M276-F287 VanDerWaalsContact CE-CD1 3.45Å; M276-F287 HydrophobicContact CE-CE1 3.95Å; M276-F287 HydrophobicContact CE-CG 4.14Å; M276-F287 PolarHBondContact O-N 2.83Å; M276-P302 HydrophobicContact CE-CG 4.4Å; M276-L314 HydrophobicContact CE-CD1 4.25Å; M276-L314 HydrophobicContact CE-CD2 4.12Å; M276-L314 HydrophobicContact CG-CD2 4.39Å; M276-L314 HydrophobicContact SD-CD1 4.04Å; M276-L314 HydrophobicContact SD-CD2 3.65Å; M276-L314 HydrophobicContact SD-CG 4.5Å; M276-L318 HydrophobicContact CE-CD2 4.17Å; M276-Y376 HydrophobicContact CB-CD1 4Å; M276-Y376 HydrophobicContact CG-CD1 3.76Å; M276-Y376 HydrophobicContact CG-CG 4.28Å; M276-Y376 HydrophobicContact SD-CD1 4.45Å; M276-L384 HydrophobicContact SD-CD1 4.01Å; M276-W400 HydrophobicContact CB-CH2 4.26Å; M276-W400 HydrophobicContact CB-CZ3 4.39Å; M276-W400 WeakPolarHBondContact O-CZ3 3.24Å
277	L	86.2	Confident	86.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.2	-177.5	-72.9	162.4	0	0	0	110.6	I275 E285 L286 V375 Y376 M377 D378 I488 V489	I275-L277 HydrophobicContact CG2-CD1 3.93Å; I275-L277 HydrophobicContact CG2-CG 4.14Å; L277-E285 CarbonylContact C-O 3.54Å; L277-E285 WeakPolarHBondContact CA-O 3.41Å; L277-L286 HydrophobicContact CD2-CB 4Å; L277-L286 HydrophobicContact CD2-CD1 3.7Å; L277-L286 HydrophobicContact CD2-CG 4.44Å; L277-L286 HydrophobicContact CG-CD1 4.04Å; L277-V375 HydrophobicContact CD1-CG1 4.4Å; L277-Y376 PolarHBondContact N-O 3.44Å; L277-M377 HydrophobicContact CB-CE 3.67Å; L277-M377 HydrophobicContact CB-SD 4.1Å; L277-M377 HydrophobicContact CD1-CE 3.75Å; L277-M377 HydrophobicContact CG-CE 4.29Å; L277-D378 PolarHBondContact O-N 3.46Å; L277-I488 HydrophobicContact CD1-CG2 4.5Å; L277-V489 HydrophobicContact CD1-CG2 3.77Å; L277-V489 HydrophobicContact CD2-CG2 3.52Å; L277-V489 HydrophobicContact CG-CG2 4.31Å
278	R	87.1	Confident	87	Confident	11 Å²	11	20.7 Å²	20.7	4%	0.042	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.7	169.3	73.9	175.4	-176.7	-174.2	-3.4	111.6	E285 G385 Y387 D388 W400	R278-E285 HydrophobicContact CG-CB 3.98Å; R278-E285 IonicContact CZ-OE2 3.37Å; R278-E285 PolarHBondContact N-O 2.81Å; R278-E285 IonicContact NE-OE2 3.95Å; R278-E285 PolarHBondContact NE-OE2 2.84Å; R278-E285 IonicContact NH2-OE2 2.74Å; R278-E285 PolarHBondContact NH2-OE2 3.36Å; R278-E285 PolarHBondContact O-N 2.91Å; R278-G385 WeakPolarHBondContact CD-O 3.27Å; R278-G385 PolarHBondContact NH1-O 3.02Å; R278-Y387 PolarHBondContact NH1-O 3.31Å; R278-Y387 VanDerWaalsContact NH1-O 3.09Å; R278-D388 IonicContact CZ-OD1 2.78Å; R278-D388 IonicContact NH1-OD1 2.77Å; R278-D388 PolarHBondContact NH1-OD1 3.1Å; R278-D388 VanDerWaalsContact NH1-OD1 3.15Å; R278-D388 IonicContact NH2-OD1 3.17Å; R278-D388 PolarHBondContact NH2-OD1 3.48Å; R278-W400 HydrophobicContact CB-CE3 4.38Å; R278-W400 HydrophobicContact CB-CH2 4.04Å; R278-W400 HydrophobicContact CB-CZ3 3.93Å; R278-W400 HydrophobicContact CG-CD2 4.01Å; R278-W400 HydrophobicContact CG-CE3 3.69Å; R278-W400 HydrophobicContact CG-CH2 4.15Å; R278-W400 HydrophobicContact CG-CZ2 4.42Å; R278-W400 HydrophobicContact CG-CZ3 3.77Å; R278-W400 VanDerWaalsContact CZ-CG 3.41Å; R278-W400 VanDerWaalsContact NH1-CD1 3.32Å
279	G	84.6	Confident	86.9	Confident	5 Å²	5	21.8 Å²	21.8	5%	0.052	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.2	163.5	0	0	0	0	0	109.2	Q381	G279-Q381 WeakPolarHBondContact O-CG 3.26Å; G279-Q381 PolarHBondContact O-NE2 3.42Å
280	N	87.3	Confident	87.2	Confident	30 Å²	30	22.2 Å²	22.2	16%	0.16	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127.2	177.6	-166.8	24.2	0	0	0	110.2	G282 V283 E285 Q381	N280-G282 PolarHBondContact O-N 3.03Å; N280-V283 PolarHBondContact N-O 3.32Å; N280-V283 WeakPolarHBondContact O-CG2 3.39Å; N280-V283 PolarHBondContact O-N 2.82Å; N280-V283 VanDerWaalsContact O-O 3.08Å; N280-E285 HydrophobicContact CB-CG 4.29Å; N280-E285 WeakPolarHBondContact CB-OE1 3.5Å; N280-E285 PolarHBondContact ND2-OE1 2.89Å; N280-E285 PolarHBondContact ND2-OE2 3.2Å; N280-Q381 PolarHBondContact OD1-NE2 3.38Å; N280-Q381 VanDerWaalsContact OD1-NE2 3.11Å
281	R	85.2	Confident	87	Confident	224 Å²	224	26.3 Å²	26.3	85%	0.845	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.3	32.4	175.4	-57.8	-178.7	-174.1	-172.1	2	116.1
282	G	81.9	Confident	86.8	Confident	19 Å²	19	26.7 Å²	26.7	20%	0.196	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-12	-178.7	0	0	0	0	0	115.8	N280	N280-G282 PolarHBondContact O-N 3.03Å
283	V	82	Confident	86.6	Confident	67 Å²	67	27.2 Å²	27.2	41%	0.406	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	164.7	172.3	-61.5	0	0	0	0	111.9	N280 E285 P495	N280-V283 PolarHBondContact N-O 3.32Å; N280-V283 WeakPolarHBondContact O-CG2 3.39Å; N280-V283 PolarHBondContact O-N 2.82Å; N280-V283 VanDerWaalsContact O-O 3.08Å; V283-E285 HydrophobicContact CG2-CG 4.43Å; V283-P495 WeakPolarHBondContact O-CG 3.12Å
284	Y	82.5	Confident	86.6	Confident	12 Å²	12	31.6 Å²	31.6	5%	0.047	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.4	167.5	-85.7	-62.6	0	0	0	110.1	M377 I403 V489 P493	Y284-M377 HydrophobicContact CD1-CE 4.14Å; Y284-M377 HydrophobicContact CD1-SD 4.35Å; Y284-M377 HydrophobicContact CE1-CE 3.66Å; Y284-M377 HydrophobicContact CE1-SD 3.61Å; Y284-I403 WeakPolarHBondContact O-CG2 3.27Å; Y284-I403 PolarHBondContact O-N 3.39Å; Y284-V489 HydrophobicContact CD2-CG1 3.57Å; Y284-V489 HydrophobicContact CE2-CG1 4.4Å; Y284-V489 HydrophobicContact CG-CG1 3.82Å; Y284-P493 PolarHBondContact OH-O 3.03Å; Y284-P493 VanDerWaalsContact OH-O 3.1Å
285	E	87.8	Confident	86.4	Confident	24 Å²	24	38.6 Å²	38.6	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.9	175.9	-71.4	170.9	-169.9	0	0	110.2	L277 R278 N280 V283 W400 R401	L277-E285 CarbonylContact C-O 3.54Å; L277-E285 WeakPolarHBondContact CA-O 3.41Å; R278-E285 HydrophobicContact CG-CB 3.98Å; R278-E285 IonicContact CZ-OE2 3.37Å; R278-E285 PolarHBondContact N-O 2.81Å; R278-E285 IonicContact NE-OE2 3.95Å; R278-E285 PolarHBondContact NE-OE2 2.84Å; R278-E285 IonicContact NH2-OE2 2.74Å; R278-E285 PolarHBondContact NH2-OE2 3.36Å; R278-E285 PolarHBondContact O-N 2.91Å; N280-E285 HydrophobicContact CB-CG 4.29Å; N280-E285 WeakPolarHBondContact CB-OE1 3.5Å; N280-E285 PolarHBondContact ND2-OE1 2.89Å; N280-E285 PolarHBondContact ND2-OE2 3.2Å; V283-E285 HydrophobicContact CG2-CG 4.43Å; E285-W400 HydrophobicContact CB-CB 4.42Å; E285-W400 HydrophobicContact CB-CE3 4.41Å; E285-R401 CarbonylContact C-O 3.46Å; E285-R401 VanDerWaalsContact CA-O 3.22Å; E285-R401 WeakPolarHBondContact CA-O 3.44Å
286	L	88.3	Confident	86.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	176.7	179.4	66.6	0	0	0	108.9	I275 M276 L277 V288 V299 L301 W400 R401 V485	I275-L286 HydrophobicContact CG2-CD1 4.04Å; M276-L286 WeakPolarHBondContact O-CA 3.4Å; L277-L286 HydrophobicContact CD2-CB 4Å; L277-L286 HydrophobicContact CD2-CD1 3.7Å; L277-L286 HydrophobicContact CD2-CG 4.44Å; L277-L286 HydrophobicContact CG-CD1 4.04Å; L286-V288 HydrophobicContact CB-CG1 4.18Å; L286-V288 HydrophobicContact CD2-CG1 3.57Å; L286-V288 HydrophobicContact CG-CG1 3.64Å; L286-V299 HydrophobicContact CD2-CG1 3.47Å; L286-V299 VanDerWaalsContact CD2-CG1 3.47Å; L286-V299 HydrophobicContact CD2-CG2 4.22Å; L286-L301 HydrophobicContact CD1-CD2 4.06Å; L286-L301 HydrophobicContact CD2-CD2 4.17Å; L286-L301 HydrophobicContact CG-CD2 4.43Å; L286-W400 WeakPolarHBondContact O-CA 3.4Å; L286-R401 PolarHBondContact N-O 2.81Å; L286-R401 PolarHBondContact O-N 2.97Å; L286-V485 HydrophobicContact CD1-CG1 3.83Å; L286-V485 HydrophobicContact CD2-CG1 3.8Å; L286-V485 HydrophobicContact CG-CG1 4.43Å
287	F	90.7	Very high	85.9	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.1	170.4	-157.2	-111.1	0	0	0	109.3	M276 P302 L318 F389 I396 Y398 G399 W400	M276-F287 HydrophobicContact CB-CB 3.86Å; M276-F287 HydrophobicContact CE-CB 4.35Å; M276-F287 HydrophobicContact CE-CD1 3.45Å; M276-F287 VanDerWaalsContact CE-CD1 3.45Å; M276-F287 HydrophobicContact CE-CE1 3.95Å; M276-F287 HydrophobicContact CE-CG 4.14Å; M276-F287 PolarHBondContact O-N 2.83Å; F287-P302 HydrophobicContact CD1-CG 3.95Å; F287-P302 WeakPolarHBondContact O-CD 2.98Å; F287-L318 HydrophobicContact CE1-CD1 4.37Å; F287-L318 HydrophobicContact CE1-CD2 4.47Å; F287-F389 HydrophobicContact CE2-CB 4.35Å; F287-F389 AromaticContact CE2-CD2 3.58Å; F287-F389 HydrophobicContact CE2-CD2 3.58Å; F287-F389 HydrophobicContact CE2-CE2 4.16Å; F287-F389 HydrophobicContact CE2-CG 4.13Å; F287-F389 HydrophobicContact CZ-CD2 4.1Å; F287-F389 HydrophobicContact CZ-CE2 4.45Å; F287-F389 HydrophobicContact CZ-CG 4.4Å; F287-I396 HydrophobicContact CZ-CD1 3.89Å; F287-Y398 HydrophobicContact CD1-CG 4.39Å; F287-Y398 HydrophobicContact CE1-CD2 4.45Å; F287-Y398 AromaticContact CE1-CG 3.91Å; F287-Y398 HydrophobicContact CE1-CG 3.91Å; F287-Y398 VanDerWaalsContact CZ-CB 3.5Å; F287-G399 WeakPolarHBondContact CA-O 2.95Å; F287-W400 HydrophobicContact CB-CE3 4.01Å; F287-W400 HydrophobicContact CB-CH2 4.46Å; F287-W400 HydrophobicContact CB-CZ3 3.96Å; F287-W400 AromaticContact CD2-CD2 3.81Å; F287-W400 HydrophobicContact CD2-CD2 3.81Å; F287-W400 AromaticContact CD2-CE2 3.94Å; F287-W400 HydrophobicContact CD2-CE3 4.13Å; F287-W400 HydrophobicContact CD2-CG 4.13Å; F287-W400 HydrophobicContact CD2-CZ2 4.36Å
288	V	90	Very high	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.6	-170.3	-63.3	0	0	0	0	112.5	L286 L290 W293 V299 R300 Y398 G399 R401	L286-V288 HydrophobicContact CB-CG1 4.18Å; L286-V288 HydrophobicContact CD2-CG1 3.57Å; L286-V288 HydrophobicContact CG-CG1 3.64Å; V288-L290 PolarHBondContact O-N 3.35Å; V288-W293 HydrophobicContact CG2-CB 3.97Å; V288-W293 HydrophobicContact CG2-CD2 4.02Å; V288-W293 HydrophobicContact CG2-CE3 3.94Å; V288-W293 HydrophobicContact CG2-CG 4.02Å; V288-V299 HydrophobicContact CG1-CG1 4.37Å; V288-R300 WeakPolarHBondContact CA-O 3.26Å; V288-Y398 VanDerWaalsContact O-CA 3.26Å; V288-Y398 WeakPolarHBondContact O-CA 3.42Å; V288-G399 PolarHBondContact N-O 2.91Å; V288-G399 PolarHBondContact O-N 2.9Å; V288-G399 VanDerWaalsContact O-N 3.09Å; V288-R401 HydrophobicContact CG2-CB 3.84Å; V288-R401 HydrophobicContact CG2-CG 3.5Å
289	E	88.8	Confident	84.9	Confident	33 Å²	33	51.1 Å²	51.1	15%	0.154	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126	172	-162.7	-162.3	127.2	0	0	110.1	N291 W293 R300 Y398	E289-N291 PolarHBondContact O-N 2.72Å; E289-N291 PolarHBondContact OE1-ND2 2.96Å; E289-N291 VanDerWaalsContact OE1-ND2 3.14Å; E289-W293 WeakPolarHBondContact O-CB 3.31Å; E289-W293 PolarHBondContact O-N 3.45Å; E289-R300 HydrophobicContact CB-CB 4.13Å; E289-R300 HydrophobicContact CB-CG 4.18Å; E289-R300 PolarHBondContact N-O 3.16Å; E289-R300 VanDerWaalsContact OE2-CD 3.24Å; E289-R300 WeakPolarHBondContact OE2-CD 3.27Å; E289-R300 IonicContact OE2-CZ 2.69Å; E289-R300 IonicContact OE2-NE 3.41Å; E289-R300 PolarHBondContact OE2-NE 3.22Å; E289-R300 IonicContact OE2-NH2 2.93Å; E289-Y398 HydrophobicContact CB-CD1 4.07Å; E289-Y398 HydrophobicContact CB-CE1 3.81Å; E289-Y398 HydrophobicContact CG-CD1 4.46Å; E289-Y398 HydrophobicContact CG-CE1 4.05Å
290	L	91.4	Very high	84.6	Confident	12 Å²	12	56 Å²	56	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-74.1	-28.1	-169.1	-64.5	-179.9	0	0	0	113.5	V288 W293 N294 E393 G397 R401	V288-L290 PolarHBondContact O-N 3.35Å; L290-W293 PolarHBondContact O-N 2.86Å; L290-N294 WeakPolarHBondContact O-CB 3.26Å; L290-N294 PolarHBondContact O-N 2.79Å; L290-N294 PolarHBondContact O-ND2 3.03Å; L290-E393 HydrophobicContact CD1-CB 3.49Å; L290-E393 VanDerWaalsContact CD1-CB 3.49Å; L290-E393 HydrophobicContact CD1-CG 3.71Å; L290-E393 WeakPolarHBondContact CD1-OE2 3.3Å; L290-G397 PolarHBondContact N-O 2.96Å; L290-R401 VanDerWaalsContact CD2-NH2 3.31Å
291	N	87.1	Confident	84.5	Confident	100 Å²	100	54.7 Å²	54.7	54%	0.535	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-56.1	179.2	-57.9	-45.1	0	0	0	111	E289 W293 N294 Q295	E289-N291 PolarHBondContact O-N 2.72Å; E289-N291 PolarHBondContact OE1-ND2 2.96Å; E289-N291 VanDerWaalsContact OE1-ND2 3.14Å; N291-W293 VanDerWaalsContact C-N 3.35Å; N291-W293 PolarHBondContact O-N 2.8Å; N291-N294 PolarHBondContact O-N 2.86Å; N291-Q295 WeakPolarHBondContact O-CB 3.41Å; N291-Q295 VanDerWaalsContact O-CG 3.26Å; N291-Q295 WeakPolarHBondContact O-CG 3.47Å; N291-Q295 PolarHBondContact O-N 3.12Å; N291-Q295 VanDerWaalsContact O-N 3.12Å
292	A	82.1	Confident	84.6	Confident	12 Å²	12	44 Å²	44	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-39.1	177.7	0	0	0	0	0	112.6	E296 K298 R300	A292-E296 PolarHBondContact O-N 3.21Å; A292-K298 HydrophobicContact CB-CB 4.35Å; A292-K298 PolarHBondContact O-N 2.75Å; A292-R300 HydrophobicContact CB-CB 3.68Å; A292-R300 HydrophobicContact CB-CG 4.45Å
293	W	86.6	Confident	84.9	Confident	14 Å²	14	45.2 Å²	45.2	5%	0.053	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-43	177.3	-176.6	-89.2	0	0	0	112.7	V288 E289 L290 N291 K297 V299 R401 S402 N405 A406	V288-W293 HydrophobicContact CG2-CB 3.97Å; V288-W293 HydrophobicContact CG2-CD2 4.02Å; V288-W293 HydrophobicContact CG2-CE3 3.94Å; V288-W293 HydrophobicContact CG2-CG 4.02Å; E289-W293 WeakPolarHBondContact O-CB 3.31Å; E289-W293 PolarHBondContact O-N 3.45Å; L290-W293 PolarHBondContact O-N 2.86Å; N291-W293 VanDerWaalsContact C-N 3.35Å; N291-W293 PolarHBondContact O-N 2.8Å; W293-K297 HydrophobicContact CD2-CD 4.39Å; W293-K297 HydrophobicContact CZ2-CD 4Å; W293-K297 WeakPolarHBondContact CZ3-O 3.18Å; W293-K297 WeakPolarHBondContact O-CA 3.17Å; W293-K297 WeakPolarHBondContact O-CD 3.46Å; W293-K297 PolarHBondContact O-N 3.31Å; W293-K297 PolarHBondContact O-NZ 3.43Å; W293-V299 HydrophobicContact CE3-CG2 4.47Å; W293-V299 HydrophobicContact CZ3-CG2 3.96Å; W293-R401 HydrophobicContact CD2-CB 3.95Å; W293-R401 HydrophobicContact CD2-CG 3.82Å; W293-R401 HydrophobicContact CE3-CB 4.29Å; W293-R401 HydrophobicContact CG-CG 3.91Å; W293-R401 HydrophobicContact CH2-CB 4.02Å; W293-R401 HydrophobicContact CZ2-CB 3.67Å; W293-R401 HydrophobicContact CZ2-CG 4.21Å; W293-R401 HydrophobicContact CZ3-CB 4.31Å; W293-S402 WeakPolarHBondContact CH2-O 3.25Å; W293-N405 HydrophobicContact CH2-CB 4.07Å; W293-N405 HydrophobicContact CZ2-CB 3.91Å; W293-A406 HydrophobicContact CH2-CB 4.15Å; W293-A406 HydrophobicContact CZ3-CB 3.95Å
294	N	88.9	Confident	85	Confident	94 Å²	94	43 Å²	43	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-70.4	-39.2	-176.5	-70.2	-15	0	0	0	111	L290 N291 K297	L290-N294 WeakPolarHBondContact O-CB 3.26Å; L290-N294 PolarHBondContact O-N 2.79Å; L290-N294 PolarHBondContact O-ND2 3.03Å; N291-N294 PolarHBondContact O-N 2.86Å; N294-K297 PolarHBondContact O-NZ 3.07Å
295	Q	83.9	Confident	85.1	Confident	147 Å²	147	45.9 Å²	45.9	69%	0.687	22%	0.218	S	C	*	.	H	α-helix	trans	-62	-63.8	175.6	-71	168.5	-3.6	0	0	112.9	N291	N291-Q295 WeakPolarHBondContact O-CB 3.41Å; N291-Q295 VanDerWaalsContact O-CG 3.26Å; N291-Q295 WeakPolarHBondContact O-CG 3.47Å; N291-Q295 PolarHBondContact O-N 3.12Å; N291-Q295 VanDerWaalsContact O-N 3.12Å
296	E	79.9	Confident	85.1	Confident	109 Å²	109	45 Å²	45	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-130.2	9.3	-166.6	-73.9	178.7	-98.7	0	0	114.1	A292 K298 S407	A292-E296 PolarHBondContact O-N 3.21Å; E296-K298 HydrophobicContact CB-CD 3.95Å; E296-K298 HydrophobicContact CB-CG 3.84Å; E296-K298 VanDerWaalsContact CD-CE 3.42Å; E296-K298 PolarHBondContact O-N 2.02Å; E296-K298 VanDerWaalsContact O-N 3.17Å; E296-K298 WeakPolarHBondContact OE1-CE 3.36Å; E296-K298 IonicContact OE1-NZ 2.72Å; E296-K298 PolarHBondContact OE1-NZ 3.29Å; E296-K298 WeakPolarHBondContact OE2-CE 3.29Å; E296-K298 IonicContact OE2-NZ 2.76Å; E296-K298 PolarHBondContact OE2-NZ 3.41Å; E296-S407 PolarHBondContact O-OG 2.85Å
297	K	82.4	Confident	84.8	Confident	78 Å²	78	46.7 Å²	46.7	34%	0.339	22%	0.223	S	C	.	.			trans	58.9	18.5	-169.5	-49.1	-69	152.3	-74.4	0	113.6	W293 N294 V299 N405 S407	W293-K297 HydrophobicContact CD2-CD 4.39Å; W293-K297 HydrophobicContact CZ2-CD 4Å; W293-K297 WeakPolarHBondContact CZ3-O 3.18Å; W293-K297 WeakPolarHBondContact O-CA 3.17Å; W293-K297 WeakPolarHBondContact O-CD 3.46Å; W293-K297 PolarHBondContact O-N 3.31Å; W293-K297 PolarHBondContact O-NZ 3.43Å; N294-K297 PolarHBondContact O-NZ 3.07Å; K297-V299 PolarHBondContact O-N 2.76Å; K297-N405 WeakPolarHBondContact CB-O 3.08Å; K297-S407 PolarHBondContact O-N 2.04Å; K297-S407 PolarHBondContact O-OG 2.87Å
298	K	76.6	Confident	84.6	Confident	77 Å²	77	49.9 Å²	49.9	34%	0.335	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-63.2	127.8	177.1	-79.1	173.9	175.4	164.2	0	109.3	A292 E296 R300 S407	A292-K298 HydrophobicContact CB-CB 4.35Å; A292-K298 PolarHBondContact O-N 2.75Å; E296-K298 HydrophobicContact CB-CD 3.95Å; E296-K298 HydrophobicContact CB-CG 3.84Å; E296-K298 VanDerWaalsContact CD-CE 3.42Å; E296-K298 PolarHBondContact O-N 2.02Å; E296-K298 VanDerWaalsContact O-N 3.17Å; E296-K298 WeakPolarHBondContact OE1-CE 3.36Å; E296-K298 IonicContact OE1-NZ 2.72Å; E296-K298 PolarHBondContact OE1-NZ 3.29Å; E296-K298 WeakPolarHBondContact OE2-CE 3.29Å; E296-K298 IonicContact OE2-NZ 2.76Å; E296-K298 PolarHBondContact OE2-NZ 3.41Å; K298-R300 PolarHBondContact O-N 2.95Å; K298-R300 VanDerWaalsContact O-N 3.14Å; K298-S407 WeakPolarHBondContact CA-OG 3.42Å; K298-S407 PolarHBondContact N-OG 2.77Å
299	V	75.6	Confident	84.5	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.073	24%	0.24	C	C	.	.			trans	-76	101.3	173.3	170.2	0	0	0	0	108.9	L286 V288 W293 K297 L301 A406 A482	L286-V299 HydrophobicContact CD2-CG1 3.47Å; L286-V299 VanDerWaalsContact CD2-CG1 3.47Å; L286-V299 HydrophobicContact CD2-CG2 4.22Å; V288-V299 HydrophobicContact CG1-CG1 4.37Å; W293-V299 HydrophobicContact CE3-CG2 4.47Å; W293-V299 HydrophobicContact CZ3-CG2 3.96Å; K297-V299 PolarHBondContact O-N 2.76Å; V299-L301 HydrophobicContact CG1-CD2 4.34Å; V299-A406 HydrophobicContact CG2-CB 3.47Å; V299-A406 VanDerWaalsContact CG2-CB 3.47Å; V299-A482 HydrophobicContact CB-CB 4.25Å; V299-A482 HydrophobicContact CG1-CB 4.03Å; V299-A482 WeakPolarHBondContact O-CB 3.28Å
300	R	78.4	Confident	84.3	Confident	109 Å²	109	52.9 Å²	52.9	41%	0.411	26%	0.255	S	S	.	.			trans	-109.9	118	168.8	-172.5	163.2	165.1	105.1	-3.9	108.7	V288 E289 A292 K298	V288-R300 WeakPolarHBondContact CA-O 3.26Å; E289-R300 HydrophobicContact CB-CB 4.13Å; E289-R300 HydrophobicContact CB-CG 4.18Å; E289-R300 PolarHBondContact N-O 3.16Å; E289-R300 VanDerWaalsContact OE2-CD 3.24Å; E289-R300 WeakPolarHBondContact OE2-CD 3.27Å; E289-R300 IonicContact OE2-CZ 2.69Å; E289-R300 IonicContact OE2-NE 3.41Å; E289-R300 PolarHBondContact OE2-NE 3.22Å; E289-R300 IonicContact OE2-NH2 2.93Å; A292-R300 HydrophobicContact CB-CB 3.68Å; A292-R300 HydrophobicContact CB-CG 4.45Å; K298-R300 PolarHBondContact O-N 2.95Å; K298-R300 VanDerWaalsContact O-N 3.14Å
301	L	84.6	Confident	84.1	Confident	1 Å²	1	58 Å²	58	1%	0.005	28%	0.277	C	S	.	.			trans	-76.4	152.8	-178	-64.3	171.8	0	0	0	110.7	I273 I275 L286 V299 Q303 F481 V485	I273-L301 HydrophobicContact CG2-CB 4.01Å; I273-L301 HydrophobicContact CG2-CD1 4Å; I275-L301 HydrophobicContact CD1-CD1 4.48Å; I275-L301 HydrophobicContact CG1-CD1 3.77Å; I275-L301 HydrophobicContact CG1-CD2 4.26Å; L286-L301 HydrophobicContact CD1-CD2 4.06Å; L286-L301 HydrophobicContact CD2-CD2 4.17Å; L286-L301 HydrophobicContact CG-CD2 4.43Å; V299-L301 HydrophobicContact CG1-CD2 4.34Å; L301-Q303 PolarHBondContact O-N 2.84Å; L301-F481 HydrophobicContact CD1-CB 3.99Å; L301-V485 HydrophobicContact CD1-CG2 4.04Å; L301-V485 HydrophobicContact CD2-CG2 4.12Å
302	P	87.6	Confident	84.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.253	C	S	.	.			trans	-57.4	131	162.6	-13.1	26	0	0	0	109.3	I273 P274 M276 F287 L318 Y398	I273-P302 WeakPolarHBondContact CG2-O 3.13Å; P274-P302 WeakPolarHBondContact CD-O 3.45Å; P274-P302 HydrophobicContact CG-CB 4.12Å; P274-P302 HydrophobicContact CG-CG 4.49Å; M276-P302 HydrophobicContact CE-CG 4.4Å; F287-P302 HydrophobicContact CD1-CG 3.95Å; F287-P302 WeakPolarHBondContact O-CD 2.98Å; P302-L318 HydrophobicContact CB-CD2 3.6Å; P302-L318 HydrophobicContact CG-CD2 4.18Å; P302-Y398 VanDerWaalsContact CA-CE1 3.48Å; P302-Y398 HydrophobicContact CB-CD1 4.07Å; P302-Y398 HydrophobicContact CB-CE1 3.63Å; P302-Y398 HydrophobicContact CG-CD1 3.81Å; P302-Y398 HydrophobicContact CG-CE1 3.85Å; P302-Y398 HydrophobicContact CG-CG 4.49Å
303	Q	87.5	Confident	84.6	Confident	43 Å²	43	53.7 Å²	53.7	20%	0.201	25%	0.251	C	S	.	.			trans	-151	132.9	178.2	58.8	-175.6	-19.7	0	0	109.3	L271 V272 I273 L301 S478	L271-Q303 HydrophobicContact CD1-CB 4.2Å; V272-Q303 WeakPolarHBondContact O-CA 3.42Å; I273-Q303 HydrophobicContact CD1-CB 4.24Å; I273-Q303 HydrophobicContact CG1-CB 3.81Å; I273-Q303 HydrophobicContact CG2-CB 4.48Å; L301-Q303 PolarHBondContact O-N 2.84Å; Q303-S478 PolarHBondContact NE2-OG 2.88Å; Q303-S478 PolarHBondContact OE1-OG 3.26Å
304	S	84.8	Confident	84.8	Confident	20 Å²	20	53.1 Å²	53.1	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	154.6	177.8	46	0	0	0	0	112.6	V272 G315 E316	V272-S304 PolarHBondContact N-O 3.45Å; V272-S304 PolarHBondContact O-N 3.42Å; V272-S304 VanDerWaalsContact O-N 3.17Å; S304-G315 VanDerWaalsContact OG-CA 3.27Å; S304-G315 WeakPolarHBondContact OG-CA 3.04Å; S304-E316 WeakPolarHBondContact CB-O 3.48Å; S304-E316 PolarHBondContact OG-N 2.87Å; S304-E316 PolarHBondContact OG-O 3.42Å
305	F	83.7	Confident	84.7	Confident	74 Å²	74	48.7 Å²	48.7	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	144	176.2	-60.5	-80.1	0	0	0	110.8	T269 Y270 L271 R362 V369 L474	T269-F305 HydrophobicContact CG2-CB 4.19Å; T269-F305 HydrophobicContact CG2-CD1 4.08Å; T269-F305 HydrophobicContact CG2-CG 4.5Å; Y270-F305 CarbonylContact O-C 3.53Å; Y270-F305 VanDerWaalsContact O-CA 3.26Å; Y270-F305 WeakPolarHBondContact O-CA 3.38Å; L271-F305 HydrophobicContact CB-CD1 3.99Å; L271-F305 HydrophobicContact CB-CE1 3.71Å; L271-F305 HydrophobicContact CB-CZ 4.42Å; L271-F305 HydrophobicContact CD1-CD1 4.18Å; L271-F305 HydrophobicContact CD1-CD2 4.46Å; L271-F305 HydrophobicContact CD1-CE1 3.9Å; L271-F305 HydrophobicContact CD1-CE2 4.17Å; L271-F305 HydrophobicContact CD1-CG 4.43Å; L271-F305 HydrophobicContact CD1-CZ 3.85Å; L271-F305 HydrophobicContact CD2-CE1 4.08Å; L271-F305 HydrophobicContact CD2-CZ 4.03Å; L271-F305 HydrophobicContact CG-CE1 4.11Å; L271-F305 HydrophobicContact CG-CZ 4.33Å; F305-R362 VanDerWaalsContact CE1-NH2 3.35Å; F305-V369 HydrophobicContact CE1-CG1 3.97Å; F305-V369 HydrophobicContact CE1-CG2 4.33Å; F305-L474 HydrophobicContact CZ-CD1 3.87Å
306	T	87.2	Confident	84.7	Confident	5 Å²	5	45 Å²	45	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	149.3	168.4	-175.1	0	0	0	0	109.4	Y270 V272 F308 N312 E316	Y270-T306 WeakPolarHBondContact CB-O 3.47Å; Y270-T306 PolarHBondContact N-O 2.63Å; Y270-T306 PolarHBondContact O-N 3.11Å; V272-T306 HydrophobicContact CG2-CG2 3.67Å; T306-F308 VanDerWaalsContact C-N 3.31Å; T306-F308 PolarHBondContact OG1-N 3Å; T306-N312 HydrophobicContact CG2-CB 4.12Å; T306-N312 PolarHBondContact OG1-ND2 3.43Å; T306-E316 WeakPolarHBondContact CB-OE2 3.2Å; T306-E316 PolarHBondContact OG1-OE2 2.81Å
307	N	83.2	Confident	85.1	Confident	39 Å²	39	44 Å²	44	21%	0.209	21%	0.211	C	C	.	.	S	Bend	trans	-89.9	-1.2	171.5	-60.7	-40.3	0	0	0	111.8	E265	E265-N307 HydrophobicContact CG-CB 4.41Å; E265-N307 WeakPolarHBondContact CG-ND2 3.11Å
308	F	86.2	Confident	85.5	Confident	67 Å²	67	40.6 Å²	40.6	29%	0.294	20%	0.196	S	C	.	.			trans	-131.3	62.9	-174.6	-49	-76.4	0	0	0	112.2	Y227 T306 D310 K311 N312	Y227-F308 AromaticContact CD1-CE1 3.66Å; Y227-F308 HydrophobicContact CD1-CE1 3.66Å; Y227-F308 HydrophobicContact CD1-CZ 4.42Å; Y227-F308 AromaticContact CD2-CE1 3.67Å; Y227-F308 HydrophobicContact CD2-CE1 3.67Å; Y227-F308 AromaticContact CD2-CZ 3.74Å; Y227-F308 HydrophobicContact CD2-CZ 3.74Å; Y227-F308 AromaticContact CE1-CE1 3.79Å; Y227-F308 HydrophobicContact CE1-CE1 3.79Å; Y227-F308 HydrophobicContact CE1-CZ 4.28Å; Y227-F308 AromaticContact CE2-CE1 3.79Å; Y227-F308 HydrophobicContact CE2-CE1 3.79Å; Y227-F308 AromaticContact CE2-CZ 3.56Å; Y227-F308 HydrophobicContact CE2-CZ 3.56Å; Y227-F308 AromaticContact CG-CE1 3.59Å; Y227-F308 HydrophobicContact CG-CE1 3.59Å; Y227-F308 HydrophobicContact CG-CZ 4.16Å; Y227-F308 AromaticContact CZ-CE1 3.85Å; Y227-F308 AromaticContact CZ-CZ 3.85Å; T306-F308 VanDerWaalsContact C-N 3.31Å; T306-F308 PolarHBondContact OG1-N 3Å; F308-D310 PolarHBondContact O-N 3.44Å; F308-K311 HydrophobicContact CB-CB 3.96Å; F308-K311 HydrophobicContact CB-CD 4.41Å; F308-K311 WeakPolarHBondContact O-CB 3.24Å; F308-K311 PolarHBondContact O-N 3.05Å; F308-K311 VanDerWaalsContact O-N 3.07Å; F308-N312 WeakPolarHBondContact O-CB 3.45Å; F308-N312 PolarHBondContact O-N 3.07Å; F308-N312 PolarHBondContact O-ND2 3.37Å
309	P	87.6	Confident	86.3	Confident	11 Å²	11	37.1 Å²	37.1	7%	0.071	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.9	-175.8	25.7	-36.4	0	0	0	112.9	Y270 V272 K311 N312 F313 I372	Y270-P309 HydrophobicContact CD1-CG 3.95Å; Y270-P309 VanDerWaalsContact CD2-CD 3.44Å; Y270-P309 HydrophobicContact CD2-CG 3.68Å; Y270-P309 HydrophobicContact CE1-CG 4.11Å; Y270-P309 HydrophobicContact CE2-CG 3.88Å; Y270-P309 HydrophobicContact CG-CB 4.26Å; Y270-P309 HydrophobicContact CG-CG 3.7Å; V272-P309 HydrophobicContact CG2-CB 3.92Å; P309-K311 VanDerWaalsContact C-N 3.32Å; P309-K311 PolarHBondContact O-N 3.49Å; P309-N312 CarbonylContact O-C 3.56Å; P309-N312 PolarHBondContact O-N 2.98Å; P309-F313 VanDerWaalsContact O-CA 3.26Å; P309-F313 WeakPolarHBondContact O-CA 3.31Å; P309-F313 PolarHBondContact O-N 2.88Å; P309-F313 VanDerWaalsContact O-N 3.09Å; P309-I372 HydrophobicContact CB-CD1 3.69Å; P309-I372 HydrophobicContact CG-CD1 3.95Å
310	D	85.4	Confident	87.1	Confident	86 Å²	86	38.3 Å²	38.3	46%	0.46	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-40.8	177.6	-46.7	-38.4	0	0	0	111.4	K229 F308 R343	K229-D310 VanDerWaalsContact CE-OD2 3.3Å; K229-D310 WeakPolarHBondContact CE-OD2 3.11Å; K229-D310 IonicContact NZ-OD1 3.44Å; K229-D310 PolarHBondContact NZ-OD1 3.08Å; K229-D310 IonicContact NZ-OD2 3.05Å; K229-D310 PolarHBondContact NZ-OD2 3Å; F308-D310 PolarHBondContact O-N 3.44Å; D310-R343 VanDerWaalsContact O-CD 3.26Å; D310-R343 WeakPolarHBondContact O-CD 3.29Å; D310-R343 PolarHBondContact O-NE 3.4Å
311	K	86.6	Confident	87.8	Confident	120 Å²	120	35.7 Å²	35.7	52%	0.522	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-51.5	173.7	-178.6	-165.4	168.4	-153.7	0	110	F308 P309 F313 E316 R343	F308-K311 HydrophobicContact CB-CB 3.96Å; F308-K311 HydrophobicContact CB-CD 4.41Å; F308-K311 WeakPolarHBondContact O-CB 3.24Å; F308-K311 PolarHBondContact O-N 3.05Å; F308-K311 VanDerWaalsContact O-N 3.07Å; P309-K311 VanDerWaalsContact C-N 3.32Å; P309-K311 PolarHBondContact O-N 3.49Å; K311-F313 PolarHBondContact O-N 3.44Å; K311-E316 IonicContact NZ-OE1 3.13Å; K311-R343 PolarHBondContact O-NH2 3.48Å
312	N	90.2	Very high	88.2	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.043	19%	0.191	C	C	.	.			trans	-106.1	62.2	-168	-56.6	-44.8	0	0	0	110.5	T306 F308 P309 L314 G315 E316 T319	T306-N312 HydrophobicContact CG2-CB 4.12Å; T306-N312 PolarHBondContact OG1-ND2 3.43Å; F308-N312 WeakPolarHBondContact O-CB 3.45Å; F308-N312 PolarHBondContact O-N 3.07Å; F308-N312 PolarHBondContact O-ND2 3.37Å; P309-N312 CarbonylContact O-C 3.56Å; P309-N312 PolarHBondContact O-N 2.98Å; N312-L314 PolarHBondContact O-N 2.92Å; N312-L314 VanDerWaalsContact O-N 3.1Å; N312-G315 WeakPolarHBondContact O-CA 3.05Å; N312-G315 PolarHBondContact O-N 2.81Å; N312-E316 HydrophobicContact CB-CG 3.96Å; N312-E316 VanDerWaalsContact CG-CD 3.43Å; N312-E316 PolarHBondContact ND2-OE1 3.3Å; N312-E316 PolarHBondContact ND2-OE2 3.33Å; N312-E316 PolarHBondContact OD1-OE1 3.32Å; N312-T319 WeakPolarHBondContact CA-OG1 3.29Å
313	F	89.1	Confident	88.6	Confident	12 Å²	12	38.3 Å²	38.3	5%	0.053	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-5.1	-173.4	65.1	-88.9	0	0	0	114.1	P309 K311 T319 L339 T342 R343 A346	P309-F313 VanDerWaalsContact O-CA 3.26Å; P309-F313 WeakPolarHBondContact O-CA 3.31Å; P309-F313 PolarHBondContact O-N 2.88Å; P309-F313 VanDerWaalsContact O-N 3.09Å; K311-F313 PolarHBondContact O-N 3.44Å; F313-T319 HydrophobicContact CD1-CG2 4.34Å; F313-T319 HydrophobicContact CE1-CG2 4.02Å; F313-L339 HydrophobicContact CZ-CB 4.49Å; F313-L339 HydrophobicContact CZ-CD2 4Å; F313-T342 HydrophobicContact CD2-CG2 4.29Å; F313-T342 HydrophobicContact CE2-CG2 3.4Å; F313-T342 VanDerWaalsContact CE2-CG2 3.4Å; F313-T342 HydrophobicContact CZ-CG2 4.06Å; F313-R343 HydrophobicContact CB-CG 4.43Å; F313-R343 HydrophobicContact CD1-CB 3.63Å; F313-R343 HydrophobicContact CD1-CG 3.76Å; F313-R343 HydrophobicContact CE1-CB 3.78Å; F313-R343 HydrophobicContact CE1-CG 4.37Å; F313-R343 HydrophobicContact CG-CB 4.07Å; F313-R343 HydrophobicContact CG-CG 4.17Å; F313-R343 HydrophobicContact CZ-CB 4.34Å; F313-A346 HydrophobicContact CB-CB 4.24Å; F313-A346 HydrophobicContact CD2-CB 4.39Å
314	L	90.8	Very high	88.9	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	7.7	166.9	-51.4	179	0	0	0	112.5	P274 M276 N312 L318 T319 I322 L384	P274-L314 HydrophobicContact CB-CD2 3.55Å; P274-L314 HydrophobicContact CG-CB 4.09Å; P274-L314 HydrophobicContact CG-CD2 3.95Å; M276-L314 HydrophobicContact CE-CD1 4.25Å; M276-L314 HydrophobicContact CE-CD2 4.12Å; M276-L314 HydrophobicContact CG-CD2 4.39Å; M276-L314 HydrophobicContact SD-CD1 4.04Å; M276-L314 HydrophobicContact SD-CD2 3.65Å; M276-L314 HydrophobicContact SD-CG 4.5Å; N312-L314 PolarHBondContact O-N 2.92Å; N312-L314 VanDerWaalsContact O-N 3.1Å; L314-L318 HydrophobicContact CB-CD2 4.29Å; L314-L318 HydrophobicContact CB-CG 4.28Å; L314-T319 WeakPolarHBondContact CB-OG1 3.08Å; L314-T319 PolarHBondContact N-OG1 3.43Å; L314-T319 VanDerWaalsContact N-OG1 3.12Å; L314-I322 HydrophobicContact CD1-CD1 3.69Å; L314-L384 HydrophobicContact CD1-CD1 3.97Å
315	G	87.6	Confident	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.			trans	75.8	179.4	-169.7	0	0	0	0	0	114.3	S304 N312 L318 T319	S304-G315 VanDerWaalsContact OG-CA 3.27Å; S304-G315 WeakPolarHBondContact OG-CA 3.04Å; N312-G315 WeakPolarHBondContact O-CA 3.05Å; N312-G315 PolarHBondContact O-N 2.81Å; G315-L318 PolarHBondContact O-N 2.9Å; G315-T319 PolarHBondContact N-OG1 3.17Å; G315-T319 WeakPolarHBondContact O-CB 3.31Å; G315-T319 PolarHBondContact O-N 3.27Å; G315-T319 PolarHBondContact O-OG1 2.96Å
316	E	83.3	Confident	89.9	Confident	71 Å²	71	41.2 Å²	41.2	33%	0.332	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	135.1	179.1	-82.5	167.8	145.9	0	0	110.4	S304 T306 K311 N312	S304-E316 WeakPolarHBondContact CB-O 3.48Å; S304-E316 PolarHBondContact OG-N 2.87Å; S304-E316 PolarHBondContact OG-O 3.42Å; T306-E316 WeakPolarHBondContact CB-OE2 3.2Å; T306-E316 PolarHBondContact OG1-OE2 2.81Å; K311-E316 IonicContact NZ-OE1 3.13Å; N312-E316 HydrophobicContact CB-CG 3.96Å; N312-E316 VanDerWaalsContact CG-CD 3.43Å; N312-E316 PolarHBondContact ND2-OE1 3.3Å; N312-E316 PolarHBondContact ND2-OE2 3.33Å; N312-E316 PolarHBondContact OD1-OE1 3.32Å
317	P	88.3	Confident	90.3	Very high	88 Å²	88	46.2 Å²	46.2	57%	0.571	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.7	-2.5	6.4	34.8	-37.1	0	0	0	114.5	T319 G320 N321	P317-T319 VanDerWaalsContact C-N 3.34Å; P317-T319 PolarHBondContact O-N 2.91Å; P317-G320 PolarHBondContact O-N 3.23Å; P317-N321 PolarHBondContact O-N 2.93Å
318	L	91.6	Very high	90.8	Very high	5 Å²	5	51 Å²	51	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-56.3	-41.2	-165.3	-177.3	58.9	0	0	0	114.1	M276 F287 P302 L314 G315 G320 N321 I322 Y398	M276-L318 HydrophobicContact CE-CD2 4.17Å; F287-L318 HydrophobicContact CE1-CD1 4.37Å; F287-L318 HydrophobicContact CE1-CD2 4.47Å; P302-L318 HydrophobicContact CB-CD2 3.6Å; P302-L318 HydrophobicContact CG-CD2 4.18Å; L314-L318 HydrophobicContact CB-CD2 4.29Å; L314-L318 HydrophobicContact CB-CG 4.28Å; G315-L318 PolarHBondContact O-N 2.9Å; L318-G320 VanDerWaalsContact C-N 3.34Å; L318-G320 PolarHBondContact O-N 2.76Å; L318-N321 PolarHBondContact O-N 2.82Å; L318-I322 HydrophobicContact CD1-CD1 3.67Å; L318-I322 HydrophobicContact CD1-CG1 3.96Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 WeakPolarHBondContact O-CB 3.4Å; L318-I322 PolarHBondContact O-N 3.3Å; L318-Y398 HydrophobicContact CD1-CD2 3.82Å; L318-Y398 HydrophobicContact CD1-CE2 4.18Å; L318-Y398 HydrophobicContact CD2-CD2 4.33Å; L318-Y398 HydrophobicContact CD2-CE2 4.29Å
319	T	92.6	Very high	91	Very high	4 Å²	4	50 Å²	50	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-46.1	176.7	-50	0	0	0	0	111.3	N312 F313 L314 G315 P317 E323	N312-T319 WeakPolarHBondContact CA-OG1 3.29Å; F313-T319 HydrophobicContact CD1-CG2 4.34Å; F313-T319 HydrophobicContact CE1-CG2 4.02Å; L314-T319 WeakPolarHBondContact CB-OG1 3.08Å; L314-T319 PolarHBondContact N-OG1 3.43Å; L314-T319 VanDerWaalsContact N-OG1 3.12Å; G315-T319 PolarHBondContact N-OG1 3.17Å; G315-T319 WeakPolarHBondContact O-CB 3.31Å; G315-T319 PolarHBondContact O-N 3.27Å; G315-T319 PolarHBondContact O-OG1 2.96Å; P317-T319 VanDerWaalsContact C-N 3.34Å; P317-T319 PolarHBondContact O-N 2.91Å; T319-E323 WeakPolarHBondContact O-CB 3.35Å; T319-E323 PolarHBondContact O-N 3.48Å
320	G	92.7	Very high	91.3	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-72.2	-35.6	-179.8	0	0	0	0	0	113.7	P317 L318 E323 R324	P317-G320 PolarHBondContact O-N 3.23Å; L318-G320 VanDerWaalsContact C-N 3.34Å; L318-G320 PolarHBondContact O-N 2.76Å; G320-E323 PolarHBondContact O-N 2.79Å; G320-R324 WeakPolarHBondContact O-CB 3.49Å; G320-R324 PolarHBondContact O-N 3.3Å
321	N	93.3	Very high	91.7	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-46.2	175.3	-76.1	-1.2	0	0	0	111.3	P317 L318 R324 I325 I396	P317-N321 PolarHBondContact O-N 2.93Å; L318-N321 PolarHBondContact O-N 2.82Å; N321-R324 PolarHBondContact O-N 3.23Å; N321-I325 WeakPolarHBondContact O-CD1 3.45Å; N321-I325 WeakPolarHBondContact O-CG1 3.3Å; N321-I325 PolarHBondContact O-N 2.96Å; N321-I396 HydrophobicContact CB-CG2 4.29Å
322	I	93.6	Very high	92	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-44.3	174.2	-73.4	174.3	0	0	0	110.5	L314 L318 R324 I325 L326 L339 L384 F389	L314-I322 HydrophobicContact CD1-CD1 3.69Å; L318-I322 HydrophobicContact CD1-CD1 3.67Å; L318-I322 HydrophobicContact CD1-CG1 3.96Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 WeakPolarHBondContact O-CB 3.4Å; L318-I322 PolarHBondContact O-N 3.3Å; I322-R324 VanDerWaalsContact C-N 3.34Å; I322-R324 PolarHBondContact O-N 2.83Å; I322-I325 PolarHBondContact O-N 3.2Å; I322-L326 HydrophobicContact CG2-CD1 3.55Å; I322-L326 HydrophobicContact CG2-CG 4.14Å; I322-L326 WeakPolarHBondContact O-CB 3.31Å; I322-L326 WeakPolarHBondContact O-CG 3.12Å; I322-L326 PolarHBondContact O-N 3.23Å; I322-L339 HydrophobicContact CG2-CD2 4.28Å; I322-L384 HydrophobicContact CG2-CD2 3.87Å; I322-F389 HydrophobicContact CD1-CZ 4.36Å; I322-F389 HydrophobicContact CG1-CE1 4.11Å; I322-F389 HydrophobicContact CG1-CZ 4.11Å; I322-F389 HydrophobicContact CG2-CZ 4.2Å
323	E	94.5	Very high	92.2	Very high	55 Å²	55	55.3 Å²	55.3	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-45.2	175.5	-177.1	175.8	168.8	0	0	112.4	T319 G320 R327 T335 L339	T319-E323 WeakPolarHBondContact O-CB 3.35Å; T319-E323 PolarHBondContact O-N 3.48Å; G320-E323 PolarHBondContact O-N 2.79Å; E323-R327 HydrophobicContact CG-CG 4.37Å; E323-R327 WeakPolarHBondContact O-CB 3.3Å; E323-R327 VanDerWaalsContact O-CG 3.27Å; E323-R327 WeakPolarHBondContact O-CG 3.3Å; E323-R327 PolarHBondContact O-N 2.74Å; E323-R327 IonicContact OE1-CZ 3.39Å; E323-R327 IonicContact OE1-NE 2.76Å; E323-R327 PolarHBondContact OE1-NE 3.02Å; E323-R327 IonicContact OE1-NH2 3.88Å; E323-R327 PolarHBondContact OE1-NH2 2.93Å; E323-T335 HydrophobicContact CG-CG2 4.21Å; E323-L339 HydrophobicContact CB-CD1 3.68Å; E323-L339 HydrophobicContact CG-CD1 3.64Å
324	R	94.6	Very high	92.3	Very high	179 Å²	179	58.3 Å²	58.3	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-47.6	179.2	-164.2	-176.6	-149.7	117.9	1.9	111.9	G320 N321 I322 R327 I328	G320-R324 WeakPolarHBondContact O-CB 3.49Å; G320-R324 PolarHBondContact O-N 3.3Å; N321-R324 PolarHBondContact O-N 3.23Å; I322-R324 VanDerWaalsContact C-N 3.34Å; I322-R324 PolarHBondContact O-N 2.83Å; R324-R327 PolarHBondContact O-N 2.72Å; R324-I328 HydrophobicContact CG-CD1 4.3Å; R324-I328 WeakPolarHBondContact O-CG1 3.39Å; R324-I328 PolarHBondContact O-N 3.37Å; R324-I328 VanDerWaalsContact O-N 3.15Å
325	I	94.4	Very high	92.5	Very high	20 Å²	20	58.2 Å²	58.2	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-49	179.3	-72.3	162.3	0	0	0	110.6	N321 I322 R327 I328 A329 Y387 F389 E392 I396	N321-I325 WeakPolarHBondContact O-CD1 3.45Å; N321-I325 WeakPolarHBondContact O-CG1 3.3Å; N321-I325 PolarHBondContact O-N 2.96Å; I322-I325 PolarHBondContact O-N 3.2Å; I325-R327 PolarHBondContact O-N 3.25Å; I325-I328 PolarHBondContact O-N 2.79Å; I325-A329 WeakPolarHBondContact O-CB 3.29Å; I325-A329 PolarHBondContact O-N 2.74Å; I325-Y387 HydrophobicContact CG2-CE1 3.96Å; I325-F389 HydrophobicContact CG2-CD1 4.39Å; I325-F389 HydrophobicContact CG2-CE1 4.23Å; I325-E392 HydrophobicContact CD1-CB 3.76Å; I325-E392 HydrophobicContact CD1-CG 4Å; I325-E392 HydrophobicContact CG1-CB 4.43Å; I325-E392 HydrophobicContact CG1-CG 4.13Å; I325-E392 HydrophobicContact CG2-CG 3.82Å; I325-I396 HydrophobicContact CD1-CG2 3.27Å
326	L	94.2	Very high	92.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.5	-37.1	-178.6	-62.3	177.4	0	0	0	111.7	I322 I328 A329 R330 G331 W334 T335 L384 Y387 F389	I322-L326 HydrophobicContact CG2-CD1 3.55Å; I322-L326 HydrophobicContact CG2-CG 4.14Å; I322-L326 WeakPolarHBondContact O-CB 3.31Å; I322-L326 WeakPolarHBondContact O-CG 3.12Å; I322-L326 PolarHBondContact O-N 3.23Å; L326-I328 VanDerWaalsContact C-N 3.29Å; L326-I328 PolarHBondContact O-N 2.99Å; L326-A329 PolarHBondContact O-N 3.42Å; L326-R330 WeakPolarHBondContact O-CA 3.37Å; L326-R330 WeakPolarHBondContact O-CB 3.44Å; L326-R330 PolarHBondContact O-N 2.8Å; L326-G331 PolarHBondContact O-N 2.86Å; L326-W334 HydrophobicContact CB-CZ3 4.23Å; L326-W334 HydrophobicContact CD1-CZ3 4.02Å; L326-W334 HydrophobicContact CD2-CH2 4.37Å; L326-W334 HydrophobicContact CD2-CZ3 3.83Å; L326-W334 HydrophobicContact CG-CZ3 4.21Å; L326-T335 HydrophobicContact CB-CG2 3.63Å; L326-T335 WeakPolarHBondContact CB-OG1 3.43Å; L326-T335 PolarHBondContact O-OG1 3.1Å; L326-L384 HydrophobicContact CD1-CD2 3.54Å; L326-Y387 HydrophobicContact CD2-CD1 4Å; L326-Y387 HydrophobicContact CD2-CD2 3.34Å; L326-Y387 HydrophobicContact CD2-CE1 4.44Å; L326-Y387 HydrophobicContact CD2-CE2 3.85Å; L326-Y387 HydrophobicContact CD2-CG 3.43Å; L326-Y387 VanDerWaalsContact CD2-CG 3.43Å; L326-F389 HydrophobicContact CD2-CZ 4.49Å
327	R	95.7	Very high	93.2	Very high	109 Å²	109	62.9 Å²	62.9	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-41.3	173	-81.3	175	-179.6	-96.4	6.9	111.6	E323 R324 I325 G331 S332 T335	E323-R327 HydrophobicContact CG-CG 4.37Å; E323-R327 WeakPolarHBondContact O-CB 3.3Å; E323-R327 VanDerWaalsContact O-CG 3.27Å; E323-R327 WeakPolarHBondContact O-CG 3.3Å; E323-R327 PolarHBondContact O-N 2.74Å; E323-R327 IonicContact OE1-CZ 3.39Å; E323-R327 IonicContact OE1-NE 2.76Å; E323-R327 PolarHBondContact OE1-NE 3.02Å; E323-R327 IonicContact OE1-NH2 3.88Å; E323-R327 PolarHBondContact OE1-NH2 2.93Å; R324-R327 PolarHBondContact O-N 2.72Å; I325-R327 PolarHBondContact O-N 3.25Å; R327-G331 WeakPolarHBondContact O-CA 3.42Å; R327-G331 PolarHBondContact O-N 2.73Å; R327-G331 VanDerWaalsContact O-N 3.14Å; R327-S332 PolarHBondContact NH1-OG 2.84Å; R327-T335 HydrophobicContact CG-CG2 4.02Å; R327-T335 PolarHBondContact N-OG1 2.86Å; R327-T335 VanDerWaalsContact N-OG1 3.15Å
328	I	93.6	Very high	93.3	Very high	139 Å²	139	59 Å²	59	71%	0.713	31%	0.308	S	S	*	.	H	α-helix	trans	-72.5	-49.4	177.9	-66.4	164.4	0	0	0	111.2	R324 I325 L326	R324-I328 HydrophobicContact CG-CD1 4.3Å; R324-I328 WeakPolarHBondContact O-CG1 3.39Å; R324-I328 PolarHBondContact O-N 3.37Å; R324-I328 VanDerWaalsContact O-N 3.15Å; I325-I328 PolarHBondContact O-N 2.79Å; L326-I328 VanDerWaalsContact C-N 3.29Å; L326-I328 PolarHBondContact O-N 2.99Å
329	A	91.9	Very high	93.3	Very high	46 Å²	46	59 Å²	59	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-85.9	-18.7	-169.5	0	0	0	0	0	115.2	I325 L326 Y387	I325-A329 WeakPolarHBondContact O-CB 3.29Å; I325-A329 PolarHBondContact O-N 2.74Å; L326-A329 PolarHBondContact O-N 3.42Å; A329-Y387 HydrophobicContact CB-CE2 3.71Å; A329-Y387 WeakPolarHBondContact CB-OH 3.33Å
330	R	92.6	Very high	93.2	Very high	133 Å²	133	65 Å²	65	50%	0.502	33%	0.33	S	S	.	.	H	α-helix	trans	-135.8	-5.1	-176.3	-60.7	-65.5	-173.8	155.4	5.3	114.2	L326 W334 Y387	L326-R330 WeakPolarHBondContact O-CA 3.37Å; L326-R330 WeakPolarHBondContact O-CB 3.44Å; L326-R330 PolarHBondContact O-N 2.8Å; R330-W334 HydrophobicContact CB-CB 4.25Å; R330-W334 HydrophobicContact CB-CD2 3.73Å; R330-W334 HydrophobicContact CB-CE3 3.4Å; R330-W334 VanDerWaalsContact CB-CE3 3.4Å; R330-W334 HydrophobicContact CB-CG 4.11Å; R330-W334 HydrophobicContact CB-CZ3 4.03Å; R330-W334 HydrophobicContact CG-CD2 4.1Å; R330-W334 HydrophobicContact CG-CE3 3.75Å; R330-W334 HydrophobicContact CG-CH2 4.31Å; R330-W334 HydrophobicContact CG-CZ3 3.88Å; R330-W334 WeakPolarHBondContact O-CB 3.32Å; R330-Y387 HydrophobicContact CG-CD2 4.16Å; R330-Y387 HydrophobicContact CG-CE2 4.13Å
331	G	93.8	Very high	93	Very high	32 Å²	32	69.5 Å²	69.5	33%	0.33	34%	0.336	S	S	.	.			trans	80.7	156.9	-178.8	0	0	0	0	0	114.1	L326 R327 S333 W334 T335	L326-G331 PolarHBondContact O-N 2.86Å; R327-G331 WeakPolarHBondContact O-CA 3.42Å; R327-G331 PolarHBondContact O-N 2.73Å; R327-G331 VanDerWaalsContact O-N 3.14Å; G331-S333 PolarHBondContact O-N 3.31Å; G331-W334 PolarHBondContact O-N 3.43Å; G331-T335 WeakPolarHBondContact O-CB 3.44Å; G331-T335 PolarHBondContact O-N 3.31Å; G331-T335 VanDerWaalsContact O-N 3.12Å; G331-T335 PolarHBondContact O-OG1 3.34Å
332	S	94.5	Very high	92.6	Very high	66 Å²	66	67 Å²	67	46%	0.462	32%	0.322	S	S	.	.	H	α-helix	trans	-59.1	-40.5	-173.7	-57.1	0	0	0	0	114.2	R327 T335 E336	R327-S332 PolarHBondContact NH1-OG 2.84Å; S332-T335 PolarHBondContact O-N 2.95Å; S332-E336 WeakPolarHBondContact O-CB 3.37Å; S332-E336 PolarHBondContact O-N 3.01Å
333	S	93.5	Very high	92.3	Very high	106 Å²	106	70 Å²	70	74%	0.741	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-47	-177	179.6	0	0	0	0	112.6	G331 T335 L337	G331-S333 PolarHBondContact O-N 3.31Å; S333-T335 VanDerWaalsContact C-N 3.3Å; S333-T335 PolarHBondContact O-N 3.1Å; S333-L337 WeakPolarHBondContact O-CB 3.27Å; S333-L337 PolarHBondContact O-N 3.49Å; S333-L337 VanDerWaalsContact O-N 3.16Å
334	W	92.1	Very high	91.9	Very high	75 Å²	75	75 Å²	75	28%	0.284	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-37.1	175.5	-175.6	96.7	0	0	0	111.6	L326 R330 G331 T338 S386	L326-W334 HydrophobicContact CB-CZ3 4.23Å; L326-W334 HydrophobicContact CD1-CZ3 4.02Å; L326-W334 HydrophobicContact CD2-CH2 4.37Å; L326-W334 HydrophobicContact CD2-CZ3 3.83Å; L326-W334 HydrophobicContact CG-CZ3 4.21Å; R330-W334 HydrophobicContact CB-CB 4.25Å; R330-W334 HydrophobicContact CB-CD2 3.73Å; R330-W334 HydrophobicContact CB-CE3 3.4Å; R330-W334 VanDerWaalsContact CB-CE3 3.4Å; R330-W334 HydrophobicContact CB-CG 4.11Å; R330-W334 HydrophobicContact CB-CZ3 4.03Å; R330-W334 HydrophobicContact CG-CD2 4.1Å; R330-W334 HydrophobicContact CG-CE3 3.75Å; R330-W334 HydrophobicContact CG-CH2 4.31Å; R330-W334 HydrophobicContact CG-CZ3 3.88Å; R330-W334 WeakPolarHBondContact O-CB 3.32Å; G331-W334 PolarHBondContact O-N 3.43Å; W334-T338 HydrophobicContact CH2-CG2 3.92Å; W334-T338 HydrophobicContact CZ2-CG2 4.48Å; W334-T338 HydrophobicContact CZ3-CG2 4.03Å; W334-T338 VanDerWaalsContact O-CB 3.24Å; W334-T338 WeakPolarHBondContact O-CB 3.43Å; W334-T338 PolarHBondContact O-N 3.33Å; W334-T338 PolarHBondContact O-OG1 3.12Å; W334-S386 WeakPolarHBondContact CZ2-OG 3.38Å
335	T	93.5	Very high	91.1	Very high	1 Å²	1	67 Å²	67	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-52	-179.5	-57.4	0	0	0	0	111.9	E323 L326 R327 G331 S332 S333 L337 T338 L339	E323-T335 HydrophobicContact CG-CG2 4.21Å; L326-T335 HydrophobicContact CB-CG2 3.63Å; L326-T335 WeakPolarHBondContact CB-OG1 3.43Å; L326-T335 PolarHBondContact O-OG1 3.1Å; R327-T335 HydrophobicContact CG-CG2 4.02Å; R327-T335 PolarHBondContact N-OG1 2.86Å; R327-T335 VanDerWaalsContact N-OG1 3.15Å; G331-T335 WeakPolarHBondContact O-CB 3.44Å; G331-T335 PolarHBondContact O-N 3.31Å; G331-T335 VanDerWaalsContact O-N 3.12Å; G331-T335 PolarHBondContact O-OG1 3.34Å; S332-T335 PolarHBondContact O-N 2.95Å; S333-T335 VanDerWaalsContact C-N 3.3Å; S333-T335 PolarHBondContact O-N 3.1Å; T335-L337 VanDerWaalsContact C-N 3.34Å; T335-L337 PolarHBondContact O-N 3.3Å; T335-T338 PolarHBondContact O-N 2.64Å; T335-T338 VanDerWaalsContact O-N 3.1Å; T335-L339 HydrophobicContact CG2-CD1 3.7Å; T335-L339 HydrophobicContact CG2-CG 4.18Å; T335-L339 WeakPolarHBondContact O-CB 3.31Å; T335-L339 WeakPolarHBondContact O-CG 3.27Å; T335-L339 PolarHBondContact O-N 3.33Å
336	E	93.1	Very high	90.2	Very high	90 Å²	90	66.6 Å²	66.6	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-58.1	-46.5	177.2	176.7	51.9	-139.4	0	0	110.8	S332 T338 L339 R340	S332-E336 WeakPolarHBondContact O-CB 3.37Å; S332-E336 PolarHBondContact O-N 3.01Å; E336-T338 VanDerWaalsContact C-N 3.29Å; E336-T338 PolarHBondContact O-N 3.48Å; E336-L339 PolarHBondContact O-N 2.99Å; E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.42Å
337	L	92.4	Very high	89.5	Confident	80 Å²	80	71.5 Å²	71.5	42%	0.419	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-39	176.3	-177.5	61.4	0	0	0	112.5	S333 T335 R341	S333-L337 WeakPolarHBondContact O-CB 3.27Å; S333-L337 PolarHBondContact O-N 3.49Å; S333-L337 VanDerWaalsContact O-N 3.16Å; T335-L337 VanDerWaalsContact C-N 3.34Å; T335-L337 PolarHBondContact O-N 3.3Å; L337-R341 HydrophobicContact CD1-CG 4.44Å; L337-R341 VanDerWaalsContact O-CB 3.3Å; L337-R341 WeakPolarHBondContact O-CB 2.99Å; L337-R341 WeakPolarHBondContact O-CD 3.37Å; L337-R341 WeakPolarHBondContact O-CG 3Å; L337-R341 PolarHBondContact O-N 3.44Å; L337-R341 VanDerWaalsContact O-N 3.1Å
338	T	91.4	Very high	88.6	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-73.4	-46.9	-179	-64.1	0	0	0	0	111.8	W334 T335 E336 R341 T342 R383 L384	W334-T338 HydrophobicContact CH2-CG2 3.92Å; W334-T338 HydrophobicContact CZ2-CG2 4.48Å; W334-T338 HydrophobicContact CZ3-CG2 4.03Å; W334-T338 VanDerWaalsContact O-CB 3.24Å; W334-T338 WeakPolarHBondContact O-CB 3.43Å; W334-T338 PolarHBondContact O-N 3.33Å; W334-T338 PolarHBondContact O-OG1 3.12Å; T335-T338 PolarHBondContact O-N 2.64Å; T335-T338 VanDerWaalsContact O-N 3.1Å; E336-T338 VanDerWaalsContact C-N 3.29Å; E336-T338 PolarHBondContact O-N 3.48Å; T338-R341 PolarHBondContact O-N 2.78Å; T338-T342 WeakPolarHBondContact O-CB 3.25Å; T338-T342 PolarHBondContact O-N 3.28Å; T338-T342 PolarHBondContact O-OG1 3.11Å; T338-R383 HydrophobicContact CG2-CB 4.44Å; T338-L384 HydrophobicContact CG2-CD2 3.93Å; T338-L384 HydrophobicContact CG2-CG 4.34Å
339	L	91.3	Very high	87.6	Confident	6 Å²	6	71 Å²	71	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-44.9	176.7	-66.3	175	0	0	0	110.8	F313 I322 E323 T335 E336 R341 T342 R343 L384	F313-L339 HydrophobicContact CZ-CB 4.49Å; F313-L339 HydrophobicContact CZ-CD2 4Å; I322-L339 HydrophobicContact CG2-CD2 4.28Å; E323-L339 HydrophobicContact CB-CD1 3.68Å; E323-L339 HydrophobicContact CG-CD1 3.64Å; T335-L339 HydrophobicContact CG2-CD1 3.7Å; T335-L339 HydrophobicContact CG2-CG 4.18Å; T335-L339 WeakPolarHBondContact O-CB 3.31Å; T335-L339 WeakPolarHBondContact O-CG 3.27Å; T335-L339 PolarHBondContact O-N 3.33Å; E336-L339 PolarHBondContact O-N 2.99Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 2.69Å; L339-T342 CarbonylContact O-C 3.57Å; L339-T342 WeakPolarHBondContact O-CA 3.41Å; L339-T342 WeakPolarHBondContact O-CB 3.37Å; L339-T342 PolarHBondContact O-N 3.2Å; L339-R343 WeakPolarHBondContact O-CB 3.29Å; L339-R343 PolarHBondContact O-N 2.74Å; L339-L384 HydrophobicContact CD2-CD2 4.41Å
340	R	90.6	Very high	86.5	Confident	129 Å²	129	76.1 Å²	76.1	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-36.6	175.4	-171.7	177.5	-178.4	-162.6	4	113.2	E336 T342 R344	E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.42Å; R340-T342 VanDerWaalsContact C-N 3.29Å; R340-R344 WeakPolarHBondContact O-CB 3.3Å; R340-R344 VanDerWaalsContact O-CG 3.28Å; R340-R344 WeakPolarHBondContact O-CG 3.48Å; R340-R344 PolarHBondContact O-N 2.75Å
341	R	88.2	Confident	85.7	Confident	133 Å²	133	71.7 Å²	71.7	50%	0.502	34%	0.342	S	S	.	.	H	α-helix	trans	-74.7	-16	172.7	-76.4	173.9	174.6	-178.5	1.5	114	L337 T338 L339 R383	L337-R341 HydrophobicContact CD1-CG 4.44Å; L337-R341 VanDerWaalsContact O-CB 3.3Å; L337-R341 WeakPolarHBondContact O-CB 2.99Å; L337-R341 WeakPolarHBondContact O-CD 3.37Å; L337-R341 WeakPolarHBondContact O-CG 3Å; L337-R341 PolarHBondContact O-N 3.44Å; L337-R341 VanDerWaalsContact O-N 3.1Å; T338-R341 PolarHBondContact O-N 2.78Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 2.69Å; R341-R383 HydrophobicContact CB-CG 3.91Å; R341-R383 VanDerWaalsContact O-CD 3.3Å; R341-R383 WeakPolarHBondContact O-CD 3.46Å
342	T	85.1	Confident	84.9	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-92.1	-50.6	178.8	-55.8	0	0	0	0	109.7	F313 T338 L339 R340 R344 A345 A346 Y376 L384	F313-T342 HydrophobicContact CD2-CG2 4.29Å; F313-T342 HydrophobicContact CE2-CG2 3.4Å; F313-T342 VanDerWaalsContact CE2-CG2 3.4Å; F313-T342 HydrophobicContact CZ-CG2 4.06Å; T338-T342 WeakPolarHBondContact O-CB 3.25Å; T338-T342 PolarHBondContact O-N 3.28Å; T338-T342 PolarHBondContact O-OG1 3.11Å; L339-T342 CarbonylContact O-C 3.57Å; L339-T342 WeakPolarHBondContact O-CA 3.41Å; L339-T342 WeakPolarHBondContact O-CB 3.37Å; L339-T342 PolarHBondContact O-N 3.2Å; R340-T342 VanDerWaalsContact C-N 3.29Å; T342-R344 PolarHBondContact O-N 3.26Å; T342-A345 CarbonylContact O-C 3.6Å; T342-A345 WeakPolarHBondContact O-CA 3.42Å; T342-A345 WeakPolarHBondContact O-CB 3.43Å; T342-A345 PolarHBondContact O-N 3.26Å; T342-A346 PolarHBondContact O-N 3.36Å; T342-Y376 HydrophobicContact CG2-CD2 3.77Å; T342-Y376 HydrophobicContact CG2-CE2 3.5Å; T342-Y376 HydrophobicContact CG2-CG 4.41Å; T342-L384 HydrophobicContact CG2-CD1 3.63Å; T342-L384 HydrophobicContact CG2-CG 4.05Å
343	R	87.4	Confident	84	Confident	65 Å²	65	69.3 Å²	69.3	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-49.6	-52.1	170.4	-171.8	-173.6	-79.9	127.6	4.8	111.6	D310 K311 F313 L339 A345 A346 E347	D310-R343 VanDerWaalsContact O-CD 3.26Å; D310-R343 WeakPolarHBondContact O-CD 3.29Å; D310-R343 PolarHBondContact O-NE 3.4Å; K311-R343 PolarHBondContact O-NH2 3.48Å; F313-R343 HydrophobicContact CB-CG 4.43Å; F313-R343 HydrophobicContact CD1-CB 3.63Å; F313-R343 HydrophobicContact CD1-CG 3.76Å; F313-R343 HydrophobicContact CE1-CB 3.78Å; F313-R343 HydrophobicContact CE1-CG 4.37Å; F313-R343 HydrophobicContact CG-CB 4.07Å; F313-R343 HydrophobicContact CG-CG 4.17Å; F313-R343 HydrophobicContact CZ-CB 4.34Å; L339-R343 WeakPolarHBondContact O-CB 3.29Å; L339-R343 PolarHBondContact O-N 2.74Å; R343-A345 PolarHBondContact O-N 2.96Å; R343-A346 CarbonylContact O-C 3.57Å; R343-A346 WeakPolarHBondContact O-CA 3.34Å; R343-A346 WeakPolarHBondContact O-CB 3.2Å; R343-A346 PolarHBondContact O-N 3.07Å; R343-E347 WeakPolarHBondContact CD-OE1 3.16Å; R343-E347 HydrophobicContact CG-CG 4.21Å; R343-E347 VanDerWaalsContact CG-OE1 3.3Å; R343-E347 WeakPolarHBondContact CG-OE1 3.24Å; R343-E347 WeakPolarHBondContact O-CG 3.31Å; R343-E347 PolarHBondContact O-N 3.4Å
344	R	85.8	Confident	83.3	Confident	158 Å²	158	64.4 Å²	64.4	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-56.8	-20.1	175.3	-80	178.3	165.4	-167.4	-6.5	115.8	R340 T342 E347	R340-R344 WeakPolarHBondContact O-CB 3.3Å; R340-R344 VanDerWaalsContact O-CG 3.28Å; R340-R344 WeakPolarHBondContact O-CG 3.48Å; R340-R344 PolarHBondContact O-N 2.75Å; T342-R344 PolarHBondContact O-N 3.26Å; R344-E347 VanDerWaalsContact CA-OE2 3.27Å; R344-E347 WeakPolarHBondContact CA-OE2 3.14Å
345	A	78.7	Confident	83	Confident	11 Å²	11	64.2 Å²	64.2	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-100	-10.8	176	0	0	0	0	0	113.1	T342 R343 H351	T342-A345 CarbonylContact O-C 3.6Å; T342-A345 WeakPolarHBondContact O-CA 3.42Å; T342-A345 WeakPolarHBondContact O-CB 3.43Å; T342-A345 PolarHBondContact O-N 3.26Å; R343-A345 PolarHBondContact O-N 2.96Å; A345-H351 WeakPolarHBondContact O-CB 3.25Å; A345-H351 PolarHBondContact O-CD2 2.6Å
346	A	74.9	Confident	82.5	Confident	12 Å²	12	67 Å²	67	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-84.2	-34.7	163.5	0	0	0	0	0	110.9	F313 T342 R343 I352 T374	F313-A346 HydrophobicContact CB-CB 4.24Å; F313-A346 HydrophobicContact CD2-CB 4.39Å; T342-A346 PolarHBondContact O-N 3.36Å; R343-A346 CarbonylContact O-C 3.57Å; R343-A346 WeakPolarHBondContact O-CA 3.34Å; R343-A346 WeakPolarHBondContact O-CB 3.2Å; R343-A346 PolarHBondContact O-N 3.07Å; A346-I352 WeakPolarHBondContact O-CG1 3.42Å; A346-T374 HydrophobicContact CB-CG2 4.16Å
347	E	78.5	Confident	82.1	Confident	104 Å²	104	63.1 Å²	63.1	49%	0.486	28%	0.283	S	S	.	.	S	Bend	trans	-70.3	-25.1	175.9	-68	165.9	164.3	0	0	114	R343 R344 K349	R343-E347 WeakPolarHBondContact CD-OE1 3.16Å; R343-E347 HydrophobicContact CG-CG 4.21Å; R343-E347 VanDerWaalsContact CG-OE1 3.3Å; R343-E347 WeakPolarHBondContact CG-OE1 3.24Å; R343-E347 WeakPolarHBondContact O-CG 3.31Å; R343-E347 PolarHBondContact O-N 3.4Å; R344-E347 VanDerWaalsContact CA-OE2 3.27Å; R344-E347 WeakPolarHBondContact CA-OE2 3.14Å; E347-K349 PolarHBondContact O-N 3.26Å
348	D	78.4	Confident	81.2	Confident	54 Å²	54	59.3 Å²	59.3	29%	0.289	26%	0.263	S	S	.	.	S	Bend	trans	-71.9	117.5	175	-176	-19.4	0	0	0	109.5	K350 H351	D348-K350 PolarHBondContact O-N 3.19Å; D348-K350 WeakPolarHBondContact OD1-CB 3.42Å; D348-K350 VanDerWaalsContact OD1-CG 3.26Å; D348-K350 WeakPolarHBondContact OD1-CG 3.41Å; D348-K350 PolarHBondContact OD1-N 3.33Å; D348-K350 IonicContact OD1-NZ 2.79Å; D348-K350 IonicContact OD2-NZ 3.89Å; D348-K350 PolarHBondContact OD2-NZ 3.13Å; D348-H351 WeakPolarHBondContact O-CB 3.42Å; D348-H351 PolarHBondContact O-N 2.97Å
349	K	71.3	Confident	80.1	Confident	182 Å²	182	59.2 Å²	59.2	79%	0.791	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-17.2	178.5	-62.9	-165.6	174.5	-164.9	0	114.7	E347 H351 I352	E347-K349 PolarHBondContact O-N 3.26Å; K349-H351 PolarHBondContact O-N 3.48Å; K349-I352 HydrophobicContact CG-CD1 4.45Å
350	K	70	Confident	78.9	Confident	154 Å²	154	59.4 Å²	59.4	67%	0.67	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.2	171.7	-61.3	169.6	-153.4	123	0	114.3	D348	D348-K350 PolarHBondContact O-N 3.19Å; D348-K350 WeakPolarHBondContact OD1-CB 3.42Å; D348-K350 VanDerWaalsContact OD1-CG 3.26Å; D348-K350 WeakPolarHBondContact OD1-CG 3.41Å; D348-K350 PolarHBondContact OD1-N 3.33Å; D348-K350 IonicContact OD1-NZ 2.79Å; D348-K350 IonicContact OD2-NZ 3.89Å; D348-K350 PolarHBondContact OD2-NZ 3.13Å
351	H	74.3	Confident	77.6	Confident	40 Å²	40	59.7 Å²	59.7	19%	0.185	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-17.1	179.6	-73.9	-86.6	0	0	0	113	A345 D348 K349 T374 V375	A345-H351 WeakPolarHBondContact O-CB 3.25Å; A345-H351 PolarHBondContact O-CD2 2.6Å; D348-H351 WeakPolarHBondContact O-CB 3.42Å; D348-H351 PolarHBondContact O-N 2.97Å; K349-H351 PolarHBondContact O-N 3.48Å; H351-T374 CarbonylContact O-C 3.5Å; H351-T374 WeakPolarHBondContact O-CA 3.46Å; H351-V375 PolarHBondContact ND1-O 2.84Å; H351-V375 PolarHBondContact O-N 2.9Å
352	I	77.7	Confident	76.9	Confident	36 Å²	36	56 Å²	56	19%	0.185	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.1	169.2	-58.4	176.1	0	0	0	108.1	A346 K349 D355 T374	A346-I352 WeakPolarHBondContact O-CG1 3.42Å; K349-I352 HydrophobicContact CG-CD1 4.45Å; I352-D355 HydrophobicContact CG2-CB 3.7Å; I352-T374 HydrophobicContact CG1-CG2 4.25Å
353	L	75.1	Confident	76.5	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-34.4	170.6	-66.2	-178.9	0	0	0	112.1	I275 L373 V375 V438 M445 I484 I488	I275-L353 HydrophobicContact CD1-CD1 3.8Å; L353-L373 HydrophobicContact CB-CD2 3.94Å; L353-L373 HydrophobicContact CB-CG 4.25Å; L353-L373 HydrophobicContact CD1-CD2 3.79Å; L353-L373 HydrophobicContact CD1-CG 4.17Å; L353-L373 PolarHBondContact N-O 3.01Å; L353-V375 HydrophobicContact CD1-CG2 3.4Å; L353-V375 HydrophobicContact CD2-CG2 4.01Å; L353-V375 HydrophobicContact CG-CG2 3.55Å; L353-V438 HydrophobicContact CD2-CG1 4.35Å; L353-M445 HydrophobicContact CB-CE 4Å; L353-M445 HydrophobicContact CB-SD 4.34Å; L353-M445 HydrophobicContact CD1-CE 3.86Å; L353-I484 HydrophobicContact CD1-CG2 4.26Å; L353-I488 HydrophobicContact CD1-CD1 3.39Å; L353-I488 HydrophobicContact CD2-CD1 3.89Å; L353-I488 HydrophobicContact CG-CD1 4.25Å
354	F	79	Confident	76.2	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	131.4	-175.5	-164.7	-92.6	0	0	0	108.4	D356 V358 V371 I372 L373 M445 K446 V449	F354-D356 HydrophobicContact CD1-CB 4.27Å; F354-D356 HydrophobicContact CE1-CB 3.59Å; F354-D356 WeakPolarHBondContact CE1-O 3.39Å; F354-D356 HydrophobicContact CE2-CB 4.09Å; F354-D356 HydrophobicContact CZ-CB 3.49Å; F354-D356 VanDerWaalsContact CZ-CB 3.49Å; F354-V358 HydrophobicContact CE1-CG1 3.71Å; F354-V358 HydrophobicContact CZ-CG1 4.11Å; F354-V371 HydrophobicContact CD1-CB 3.91Å; F354-V371 HydrophobicContact CD1-CG1 3.98Å; F354-V371 WeakPolarHBondContact CD1-O 3.32Å; F354-V371 HydrophobicContact CE1-CB 4.03Å; F354-I372 WeakPolarHBondContact O-CA 3.33Å; F354-L373 HydrophobicContact CB-CB 3.88Å; F354-L373 HydrophobicContact CB-CD2 4.34Å; F354-L373 PolarHBondContact O-N 3.48Å; F354-M445 HydrophobicContact CB-SD 3.74Å; F354-M445 HydrophobicContact CD2-CB 3.59Å; F354-M445 HydrophobicContact CD2-CG 4.41Å; F354-M445 HydrophobicContact CD2-SD 3.95Å; F354-M445 HydrophobicContact CE2-CB 3.91Å; F354-M445 HydrophobicContact CG-SD 4.19Å; F354-K446 HydrophobicContact CE2-CG 3.9Å; F354-V449 HydrophobicContact CE2-CG2 4.11Å; F354-V449 HydrophobicContact CZ-CB 4.35Å; F354-V449 HydrophobicContact CZ-CG1 4.26Å; F354-V449 HydrophobicContact CZ-CG2 3.79Å
355	D	85.3	Confident	76.3	Confident	72 Å²	72	45.7 Å²	45.7	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	85.4	173.5	177.8	13.7	0	0	0	105.2	I352 Q370 V371	I352-D355 HydrophobicContact CG2-CB 3.7Å; D355-Q370 PolarHBondContact OD1-NE2 3.11Å; D355-V371 VanDerWaalsContact CA-O 3.31Å; D355-V371 WeakPolarHBondContact CA-O 3.44Å
356	D	84.3	Confident	76.7	Confident	60 Å²	60	45.5 Å²	45.5	32%	0.321	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.7	-172.9	-138.1	-41.1	0	0	0	111.5	F354 V371 K446	F354-D356 HydrophobicContact CD1-CB 4.27Å; F354-D356 HydrophobicContact CE1-CB 3.59Å; F354-D356 WeakPolarHBondContact CE1-O 3.39Å; F354-D356 HydrophobicContact CE2-CB 4.09Å; F354-D356 HydrophobicContact CZ-CB 3.49Å; F354-D356 VanDerWaalsContact CZ-CB 3.49Å; D356-V371 PolarHBondContact N-O 3.22Å; D356-V371 PolarHBondContact O-N 3.4Å; D356-K446 WeakPolarHBondContact OD2-CE 3.1Å; D356-K446 IonicContact OD2-NZ 3.69Å; D356-K446 PolarHBondContact OD2-NZ 2.76Å
357	V	84.3	Confident	77.3	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.4	-176.6	-177.8	0	0	0	0	110.6	P251 L252 W368 Q370	P251-V357 HydrophobicContact CG-CB 4.13Å; P251-V357 HydrophobicContact CG-CG1 4.39Å; P251-V357 HydrophobicContact CG-CG2 3.57Å; L252-V357 HydrophobicContact CD1-CB 4.49Å; L252-V357 HydrophobicContact CD1-CG1 3.8Å; L252-V357 HydrophobicContact CD2-CB 4.49Å; L252-V357 HydrophobicContact CG-CB 4.2Å; L252-V357 HydrophobicContact CG-CG1 3.79Å; V357-W368 HydrophobicContact CG1-CB 3.92Å; V357-W368 VanDerWaalsContact CG1-CD1 3.47Å; V357-W368 HydrophobicContact CG1-CG 3.84Å; V357-W368 VanDerWaalsContact CG2-CD1 3.44Å; V357-W368 HydrophobicContact CG2-CG 4.4Å; V357-Q370 HydrophobicContact CG2-CB 4.34Å; V357-Q370 HydrophobicContact CG2-CG 4.42Å
358	V	73.3	Confident	77.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.19	C	C	.	.			trans	-101.6	151.7	-178.1	-62.1	0	0	0	0	111.7	F354 D360 N363 V369 V371 V449 L474	F354-V358 HydrophobicContact CE1-CG1 3.71Å; F354-V358 HydrophobicContact CZ-CG1 4.11Å; V358-D360 PolarHBondContact O-N 2.03Å; V358-N363 PolarHBondContact O-ND2 2.84Å; V358-V369 HydrophobicContact CG2-CB 3.96Å; V358-V369 HydrophobicContact CG2-CG1 3.72Å; V358-V369 PolarHBondContact N-O 3.25Å; V358-V371 HydrophobicContact CB-CG2 4.26Å; V358-V371 HydrophobicContact CG1-CB 3.9Å; V358-V371 HydrophobicContact CG1-CG2 3.56Å; V358-V371 HydrophobicContact CG2-CG2 3.68Å; V358-V449 HydrophobicContact CG1-CG1 4.38Å; V358-V449 HydrophobicContact CG1-CG2 4.19Å; V358-L474 HydrophobicContact CG2-CD2 4.11Å
359	P	67.6	Low	78	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.013	18%	0.176	C	C	.	.			trans	-68.4	114.6	169.6	30.8	-37.1	0	0	0	110.4	V452 S453 C473	P359-V452 HydrophobicContact CG-CB 4.43Å; P359-V452 HydrophobicContact CG-CG1 4.02Å; P359-S453 VanDerWaalsContact CB-CA 3.48Å; P359-C473 WeakPolarHBondContact O-CB 3.2Å
360	D	67.4	Low	78.9	Confident	10 Å²	10	30 Å²	30	5%	0.053	14%	0.143	C	C	.	.			trans	-128.9	143.4	173	-170.1	-69.8	0	0	0	109.8	V358 R362 N363 V369 L474	V358-D360 PolarHBondContact O-N 2.03Å; D360-R362 PolarHBondContact O-N 3.39Å; D360-R362 VanDerWaalsContact O-N 3.1Å; D360-R362 VanDerWaalsContact OD1-CB 3.24Å; D360-R362 WeakPolarHBondContact OD1-CB 3.37Å; D360-R362 VanDerWaalsContact OD1-CG 3.32Å; D360-R362 WeakPolarHBondContact OD1-CG 3.21Å; D360-R362 IonicContact OD1-CZ 2.71Å; D360-R362 PolarHBondContact OD1-N 3.17Å; D360-R362 IonicContact OD1-NE 2.64Å; D360-R362 PolarHBondContact OD1-NE 2.72Å; D360-R362 IonicContact OD1-NH2 2.68Å; D360-R362 IonicContact OD2-CZ 2.78Å; D360-R362 IonicContact OD2-NE 3.24Å; D360-R362 PolarHBondContact OD2-NE 3.24Å; D360-R362 IonicContact OD2-NH2 3.16Å; D360-R362 PolarHBondContact OD2-NH2 3.31Å; D360-N363 PolarHBondContact N-ND2 3.45Å; D360-N363 VanDerWaalsContact O-CB 3.29Å; D360-N363 WeakPolarHBondContact O-CB 3.29Å; D360-N363 PolarHBondContact O-N 3.03Å; D360-V369 HydrophobicContact CB-CB 4Å; D360-V369 HydrophobicContact CB-CG2 3.66Å; D360-L474 WeakPolarHBondContact OD2-CD1 3.1Å; D360-L474 WeakPolarHBondContact OD2-CG 3.46Å
361	M	63.5	Low	79.7	Confident	136 Å²	136	22.6 Å²	22.6	67%	0.67	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	178.4	-71.8	170.1	54.4	0	0	113.7	R190	R190-M361 PolarHBondContact NH2-O 2.91Å
362	R	72.1	Confident	80.3	Confident	56 Å²	56	21.8 Å²	21.8	21%	0.211	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.2	175.9	-60.1	169.4	-72.3	164.8	0	113.4	L262 L263 F305 D360 T364	L262-R362 HydrophobicContact CB-CB 4.24Å; L262-R362 HydrophobicContact CB-CG 3.97Å; L262-R362 HydrophobicContact CD1-CG 4.3Å; L263-R362 HydrophobicContact CD1-CB 4.44Å; L263-R362 HydrophobicContact CD2-CB 4Å; L263-R362 HydrophobicContact CG-CB 4Å; F305-R362 VanDerWaalsContact CE1-NH2 3.35Å; D360-R362 PolarHBondContact O-N 3.39Å; D360-R362 VanDerWaalsContact O-N 3.1Å; D360-R362 VanDerWaalsContact OD1-CB 3.24Å; D360-R362 WeakPolarHBondContact OD1-CB 3.37Å; D360-R362 VanDerWaalsContact OD1-CG 3.32Å; D360-R362 WeakPolarHBondContact OD1-CG 3.21Å; D360-R362 IonicContact OD1-CZ 2.71Å; D360-R362 PolarHBondContact OD1-N 3.17Å; D360-R362 IonicContact OD1-NE 2.64Å; D360-R362 PolarHBondContact OD1-NE 2.72Å; D360-R362 IonicContact OD1-NH2 2.68Å; D360-R362 IonicContact OD2-CZ 2.78Å; D360-R362 IonicContact OD2-NE 3.24Å; D360-R362 PolarHBondContact OD2-NE 3.24Å; D360-R362 IonicContact OD2-NH2 3.16Å; D360-R362 PolarHBondContact OD2-NH2 3.31Å; R362-T364 PolarHBondContact O-N 2.87Å
363	N	78.5	Confident	80.6	Confident	5 Å²	5	20.1 Å²	20.1	3%	0.027	10%	0.099	C	C	.	.			trans	-55.2	128.8	-178.4	-72.2	-3.8	0	0	0	111.6	R190 T255 V358 D360 S367 W368 V369	R190-N363 PolarHBondContact NH1-O 2.93Å; R190-N363 PolarHBondContact NH2-O 2.96Å; T255-N363 HydrophobicContact CG2-CB 4.46Å; V358-N363 PolarHBondContact O-ND2 2.84Å; D360-N363 PolarHBondContact N-ND2 3.45Å; D360-N363 VanDerWaalsContact O-CB 3.29Å; D360-N363 WeakPolarHBondContact O-CB 3.29Å; D360-N363 PolarHBondContact O-N 3.03Å; N363-S367 CarbonylContact C-O 3.37Å; N363-S367 WeakPolarHBondContact CA-O 3.02Å; N363-W368 VanDerWaalsContact OD1-CA 3.31Å; N363-W368 WeakPolarHBondContact OD1-CA 3.33Å; N363-V369 PolarHBondContact OD1-N 2.81Å
364	T	81.1	Confident	80.9	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.			trans	-110.1	179.4	170.5	77.2	0	0	0	0	109.8	N250 T255 I257 G259 R362 N366 S367	N250-T364 WeakPolarHBondContact CB-O 3.47Å; N250-T364 PolarHBondContact ND2-O 2.81Å; T255-T364 WeakPolarHBondContact CG2-O 3.3Å; T255-T364 VanDerWaalsContact OG1-CA 3.25Å; T255-T364 WeakPolarHBondContact OG1-CA 3.48Å; I257-T364 HydrophobicContact CG2-CG2 3.78Å; I257-T364 WeakPolarHBondContact O-CB 3.39Å; G259-T364 VanDerWaalsContact O-CB 3.29Å; G259-T364 WeakPolarHBondContact O-CB 3.34Å; G259-T364 WeakPolarHBondContact O-CG2 3.4Å; G259-T364 PolarHBondContact O-OG1 3.02Å; R362-T364 PolarHBondContact O-N 2.87Å; T364-N366 PolarHBondContact O-N 2.94Å; T364-N366 PolarHBondContact OG1-N 2.69Å; T364-S367 PolarHBondContact N-O 2.84Å; T364-S367 VanDerWaalsContact O-O 3.1Å; T364-S367 PolarHBondContact OG1-N 2.85Å
365	D	87.2	Confident	80.9	Confident	3 Å²	3	20 Å²	20	2%	0.016	10%	0.099	C	C	.	.	S	Bend	trans	-65.5	-14.6	171.5	-64.6	-5.3	0	0	0	112.5	W200 Y207 P209 L249 N250 T255 G256 I257 C258	W200-D365 HydrophobicContact CH2-CB 3.86Å; W200-D365 HydrophobicContact CZ2-CB 3.96Å; Y207-D365 WeakPolarHBondContact CE1-OD2 3.33Å; Y207-D365 VanDerWaalsContact CZ-OD2 3.26Å; Y207-D365 PolarHBondContact OH-OD1 3.23Å; Y207-D365 PolarHBondContact OH-OD2 3.45Å; P209-D365 WeakPolarHBondContact CG-OD2 3.45Å; L249-D365 CarbonylContact C-O 3.56Å; L249-D365 VanDerWaalsContact CA-O 3.3Å; L249-D365 WeakPolarHBondContact CA-O 3.37Å; N250-D365 PolarHBondContact N-O 3.03Å; T255-D365 WeakPolarHBondContact CA-OD1 3.12Å; T255-D365 WeakPolarHBondContact CB-OD1 3.11Å; T255-D365 PolarHBondContact N-OD1 2.81Å; T255-D365 PolarHBondContact OG1-N 2.98Å; T255-D365 PolarHBondContact OG1-OD1 2.99Å; G256-D365 PolarHBondContact N-OD1 3.34Å; I257-D365 VanDerWaalsContact O-CB 3.3Å; I257-D365 WeakPolarHBondContact O-CB 3.33Å; I257-D365 PolarHBondContact O-N 2.67Å; C258-D365 HydrophobicContact CB-CB 4.43Å
366	N	87.4	Confident	80.7	Confident	6 Å²	6	16.8 Å²	16.8	3%	0.032	8%	0.082	C	C	.	.	S	Bend	trans	-130.3	1.8	-173.4	-47.3	119.7	0	0	0	114.2	L247 P248 C258 G259 Y266 G267 T364	L247-N366 HydrophobicContact CB-CB 4.34Å; P248-N366 WeakPolarHBondContact CG-O 3.22Å; P248-N366 WeakPolarHBondContact O-CA 3.29Å; P248-N366 PolarHBondContact O-ND2 2.86Å; C258-N366 WeakPolarHBondContact CA-OD1 3.22Å; C258-N366 VanDerWaalsContact CB-OD1 3.23Å; C258-N366 WeakPolarHBondContact CB-OD1 3.49Å; G259-N366 PolarHBondContact N-OD1 2.77Å; Y266-N366 WeakPolarHBondContact CA-O 3.49Å; Y266-N366 HydrophobicContact CD1-CB 3.69Å; Y266-N366 WeakPolarHBondContact CD1-O 3.45Å; Y266-N366 HydrophobicContact CE1-CB 3.9Å; G267-N366 PolarHBondContact N-O 3.01Å; T364-N366 PolarHBondContact O-N 2.94Å; T364-N366 PolarHBondContact OG1-N 2.69Å
367	S	86.4	Confident	80.5	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141.2	177.8	-173.1	0	0	0	0	110	L263 E265 G267 N363 T364	L263-S367 VanDerWaalsContact CB-OG 3.3Å; L263-S367 WeakPolarHBondContact CB-OG 3.44Å; L263-S367 WeakPolarHBondContact CD1-OG 3.36Å; E265-S367 WeakPolarHBondContact O-CB 3.47Å; E265-S367 PolarHBondContact O-OG 3.23Å; G267-S367 CarbonylContact O-C 3.54Å; G267-S367 VanDerWaalsContact O-CA 3.3Å; G267-S367 WeakPolarHBondContact O-CA 3.45Å; G267-S367 PolarHBondContact O-OG 3.33Å; N363-S367 CarbonylContact C-O 3.37Å; N363-S367 WeakPolarHBondContact CA-O 3.02Å; T364-S367 PolarHBondContact N-O 2.84Å; T364-S367 VanDerWaalsContact O-O 3.1Å; T364-S367 PolarHBondContact OG1-N 2.85Å
368	W	88.1	Confident	80.4	Confident	4 Å²	4	14.6 Å²	14.6	2%	0.015	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	157.1	-172.9	57.2	85.1	0	0	0	113.7	P248 L249 N250 P251 G267 P268 T269 V357 N363	P248-W368 HydrophobicContact CB-CH2 3.93Å; P248-W368 HydrophobicContact CB-CZ3 4.1Å; P248-W368 HydrophobicContact CG-CZ3 4.34Å; L249-W368 WeakPolarHBondContact O-CH2 3.32Å; L249-W368 WeakPolarHBondContact O-CZ3 3.4Å; N250-W368 HydrophobicContact CB-CE3 3.85Å; N250-W368 HydrophobicContact CB-CZ3 4.26Å; P251-W368 HydrophobicContact CG-CZ2 4.35Å; G267-W368 PolarHBondContact O-N 3.27Å; P268-W368 CarbonylContact C-O 3.57Å; P268-W368 WeakPolarHBondContact CA-O 3.36Å; T269-W368 PolarHBondContact N-O 3.03Å; V357-W368 HydrophobicContact CG1-CB 3.92Å; V357-W368 VanDerWaalsContact CG1-CD1 3.47Å; V357-W368 HydrophobicContact CG1-CG 3.84Å; V357-W368 VanDerWaalsContact CG2-CD1 3.44Å; V357-W368 HydrophobicContact CG2-CG 4.4Å; N363-W368 VanDerWaalsContact OD1-CA 3.31Å; N363-W368 WeakPolarHBondContact OD1-CA 3.33Å
369	V	83.1	Confident	80.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.3	171.9	-176.8	0	0	0	0	110.1	L263 T269 L271 F305 V358 D360 N363	L263-V369 HydrophobicContact CD1-CG2 4.28Å; L263-V369 HydrophobicContact CD2-CG2 4.13Å; T269-V369 WeakPolarHBondContact O-CA 3.48Å; L271-V369 HydrophobicContact CB-CG1 3.96Å; F305-V369 HydrophobicContact CE1-CG1 3.97Å; F305-V369 HydrophobicContact CE1-CG2 4.33Å; V358-V369 HydrophobicContact CG2-CB 3.96Å; V358-V369 HydrophobicContact CG2-CG1 3.72Å; V358-V369 PolarHBondContact N-O 3.25Å; D360-V369 HydrophobicContact CB-CB 4Å; D360-V369 HydrophobicContact CB-CG2 3.66Å; N363-V369 PolarHBondContact OD1-N 2.81Å
370	Q	90.3	Very high	81.6	Confident	22 Å²	22	23.4 Å²	23.4	10%	0.103	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	169.2	-178.1	161.4	-21.4	0	0	108.9	P268 T269 Y270 L271 D355 V357	P268-Q370 HydrophobicContact CB-CB 3.98Å; T269-Q370 PolarHBondContact O-N 2.78Å; T269-Q370 VanDerWaalsContact O-N 3.12Å; Y270-Q370 CarbonylContact C-O 3.6Å; Y270-Q370 VanDerWaalsContact CA-O 3.27Å; Y270-Q370 WeakPolarHBondContact CA-O 3.38Å; Y270-Q370 HydrophobicContact CD1-CB 3.95Å; Y270-Q370 HydrophobicContact CD1-CG 3.97Å; Y270-Q370 HydrophobicContact CE1-CB 4.32Å; Y270-Q370 HydrophobicContact CE1-CG 4.14Å; L271-Q370 PolarHBondContact N-O 2.93Å; D355-Q370 PolarHBondContact OD1-NE2 3.11Å; V357-Q370 HydrophobicContact CG2-CB 4.34Å; V357-Q370 HydrophobicContact CG2-CG 4.42Å
371	V	87	Confident	82.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.5	178.5	169.3	0	0	0	0	109.3	L271 I273 F354 D355 D356 V358 L373 F481	L271-V371 HydrophobicContact CB-CG2 4.07Å; L271-V371 HydrophobicContact CD2-CG2 4.12Å; L271-V371 HydrophobicContact CG-CG2 4.36Å; L271-V371 WeakPolarHBondContact O-CA 2.99Å; I273-V371 HydrophobicContact CD1-CG1 4.03Å; F354-V371 HydrophobicContact CD1-CB 3.91Å; F354-V371 HydrophobicContact CD1-CG1 3.98Å; F354-V371 WeakPolarHBondContact CD1-O 3.32Å; F354-V371 HydrophobicContact CE1-CB 4.03Å; D355-V371 VanDerWaalsContact CA-O 3.31Å; D355-V371 WeakPolarHBondContact CA-O 3.44Å; D356-V371 PolarHBondContact N-O 3.22Å; D356-V371 PolarHBondContact O-N 3.4Å; V358-V371 HydrophobicContact CB-CG2 4.26Å; V358-V371 HydrophobicContact CG1-CB 3.9Å; V358-V371 HydrophobicContact CG1-CG2 3.56Å; V358-V371 HydrophobicContact CG2-CG2 3.68Å; V371-L373 HydrophobicContact CG1-CB 4.41Å; V371-F481 HydrophobicContact CG1-CE2 3.85Å; V371-F481 HydrophobicContact CG1-CZ 3.93Å
372	I	86.7	Confident	83.4	Confident	23 Å²	23	26.6 Å²	26.6	12%	0.118	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.1	170.5	-62.4	178.1	0	0	0	108.4	Y270 L271 I273 P309 F354 T374	Y270-I372 HydrophobicContact CD1-CD1 3.44Å; Y270-I372 VanDerWaalsContact CD1-CD1 3.44Å; Y270-I372 HydrophobicContact CD1-CG1 4.06Å; Y270-I372 HydrophobicContact CE1-CD1 3.98Å; Y270-I372 HydrophobicContact CG-CD1 4.21Å; L271-I372 PolarHBondContact O-N 2.76Å; I273-I372 PolarHBondContact N-O 2.81Å; P309-I372 HydrophobicContact CB-CD1 3.69Å; P309-I372 HydrophobicContact CG-CD1 3.95Å; F354-I372 WeakPolarHBondContact O-CA 3.33Å; I372-T374 HydrophobicContact CG2-CG2 4.03Å
373	L	84.1	Confident	84.1	Confident	0 Å²	0	26 Å²	26	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.5	-179.4	-174.5	70.5	0	0	0	109.8	I273 I275 L353 F354 V371 M445 F481	I273-L373 HydrophobicContact CB-CD1 3.68Å; I273-L373 HydrophobicContact CG2-CD1 3.49Å; I273-L373 VanDerWaalsContact CG2-CD1 3.49Å; I273-L373 WeakPolarHBondContact O-CA 3.48Å; I275-L373 HydrophobicContact CD1-CD1 3.66Å; I275-L373 HydrophobicContact CD1-CD2 4.25Å; I275-L373 HydrophobicContact CD1-CG 3.9Å; I275-L373 HydrophobicContact CG1-CD1 3.99Å; L353-L373 HydrophobicContact CB-CD2 3.94Å; L353-L373 HydrophobicContact CB-CG 4.25Å; L353-L373 HydrophobicContact CD1-CD2 3.79Å; L353-L373 HydrophobicContact CD1-CG 4.17Å; L353-L373 PolarHBondContact N-O 3.01Å; F354-L373 HydrophobicContact CB-CB 3.88Å; F354-L373 HydrophobicContact CB-CD2 4.34Å; F354-L373 PolarHBondContact O-N 3.48Å; V371-L373 HydrophobicContact CG1-CB 4.41Å; L373-M445 HydrophobicContact CD2-CE 3.51Å; L373-M445 HydrophobicContact CD2-SD 3.91Å; L373-F481 HydrophobicContact CD1-CB 4.34Å; L373-F481 HydrophobicContact CD1-CD2 3.88Å; L373-F481 HydrophobicContact CD1-CE2 4.27Å; L373-F481 HydrophobicContact CD1-CG 4Å; L373-F481 HydrophobicContact CD2-CB 4.44Å; L373-F481 HydrophobicContact CD2-CD1 3.44Å; L373-F481 VanDerWaalsContact CD2-CD1 3.44Å; L373-F481 HydrophobicContact CD2-CD2 4.2Å; L373-F481 HydrophobicContact CD2-CE1 3.57Å; L373-F481 HydrophobicContact CD2-CE2 4.3Å; L373-F481 HydrophobicContact CD2-CG 3.78Å; L373-F481 HydrophobicContact CD2-CZ 3.99Å
374	T	81.6	Confident	84.6	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.043	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.2	-177.5	56.9	0	0	0	0	112.2	I273 I275 A346 H351 I352 I372	I273-T374 PolarHBondContact O-N 2.6Å; I273-T374 VanDerWaalsContact O-N 3.13Å; I275-T374 WeakPolarHBondContact CA-O 3.43Å; I275-T374 WeakPolarHBondContact CB-O 3.32Å; I275-T374 PolarHBondContact N-O 3.25Å; A346-T374 HydrophobicContact CB-CG2 4.16Å; H351-T374 CarbonylContact O-C 3.5Å; H351-T374 WeakPolarHBondContact O-CA 3.46Å; I352-T374 HydrophobicContact CG1-CG2 4.25Å; I372-T374 HydrophobicContact CG2-CG2 4.03Å
375	V	79.9	Confident	84.9	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.03	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	94.1	175.1	175	0	0	0	0	109.9	I275 L277 H351 L353 M377 I488	I275-V375 HydrophobicContact CB-CG2 4.12Å; I275-V375 HydrophobicContact CD1-CG2 3.76Å; I275-V375 HydrophobicContact CG2-CG2 4.3Å; L277-V375 HydrophobicContact CD1-CG1 4.4Å; H351-V375 PolarHBondContact ND1-O 2.84Å; H351-V375 PolarHBondContact O-N 2.9Å; L353-V375 HydrophobicContact CD1-CG2 3.4Å; L353-V375 HydrophobicContact CD2-CG2 4.01Å; L353-V375 HydrophobicContact CG-CG2 3.55Å; V375-M377 PolarHBondContact O-N 3.08Å; V375-I488 HydrophobicContact CG1-CG2 4.14Å; V375-I488 HydrophobicContact CG2-CD1 3.93Å
376	Y	80.8	Confident	85	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.02	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	97.2	174.8	174.2	-98.7	0	0	0	110.3	I275 M276 L277 T342 D378 R383 L384	I275-Y376 PolarHBondContact O-N 2.86Å; M276-Y376 HydrophobicContact CB-CD1 4Å; M276-Y376 HydrophobicContact CG-CD1 3.76Å; M276-Y376 HydrophobicContact CG-CG 4.28Å; M276-Y376 HydrophobicContact SD-CD1 4.45Å; L277-Y376 PolarHBondContact N-O 3.44Å; T342-Y376 HydrophobicContact CG2-CD2 3.77Å; T342-Y376 HydrophobicContact CG2-CE2 3.5Å; T342-Y376 HydrophobicContact CG2-CG 4.41Å; Y376-D378 HydrophobicContact CE1-CB 3.78Å; Y376-D378 PolarHBondContact OH-OD2 3.06Å; Y376-R383 VanDerWaalsContact CE2-CZ 3.43Å; Y376-R383 WeakPolarHBondContact OH-CB 3.41Å; Y376-R383 PolarHBondContact OH-NE 2.9Å; Y376-L384 HydrophobicContact CE1-CB 4.05Å; Y376-L384 PolarHBondContact OH-N 3.46Å; Y376-L384 VanDerWaalsContact OH-N 3.1Å
377	M	79.6	Confident	85.3	Confident	17 Å²	17	28 Å²	28	8%	0.084	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.3	177.2	173.6	55.3	74.4	0	0	111.2	L277 Y284 V375 K379 R383 Y492	L277-M377 HydrophobicContact CB-CE 3.67Å; L277-M377 HydrophobicContact CB-SD 4.1Å; L277-M377 HydrophobicContact CD1-CE 3.75Å; L277-M377 HydrophobicContact CG-CE 4.29Å; Y284-M377 HydrophobicContact CD1-CE 4.14Å; Y284-M377 HydrophobicContact CD1-SD 4.35Å; Y284-M377 HydrophobicContact CE1-CE 3.66Å; Y284-M377 HydrophobicContact CE1-SD 3.61Å; V375-M377 PolarHBondContact O-N 3.08Å; M377-K379 HydrophobicContact CG-CB 4.27Å; M377-K379 HydrophobicContact SD-CB 3.97Å; M377-R383 PolarHBondContact O-NH2 2.86Å; M377-Y492 HydrophobicContact CE-CD2 3.68Å; M377-Y492 HydrophobicContact CE-CE2 4.02Å; M377-Y492 HydrophobicContact CE-CG 3.98Å; M377-Y492 HydrophobicContact CG-CE1 4.28Å
378	D	82.9	Confident	85.6	Confident	5 Å²	5	32 Å²	32	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	57.8	173.6	-157.9	24.2	0	0	0	111.6	L277 Y376 Y380 Q381 K382 R383 G385	L277-D378 PolarHBondContact O-N 3.46Å; Y376-D378 HydrophobicContact CE1-CB 3.78Å; Y376-D378 PolarHBondContact OH-OD2 3.06Å; D378-Y380 PolarHBondContact O-N 2.69Å; D378-Q381 PolarHBondContact O-N 3.09Å; D378-K382 PolarHBondContact OD1-N 2.93Å; D378-K382 VanDerWaalsContact OD1-N 3.11Å; D378-K382 PolarHBondContact OD2-N 2.8Å; D378-R383 IonicContact OD1-CZ 2.6Å; D378-R383 IonicContact OD1-NE 3.48Å; D378-R383 PolarHBondContact OD1-NE 2.84Å; D378-R383 IonicContact OD1-NH2 2.84Å; D378-R383 PolarHBondContact OD1-NH2 2.87Å; D378-R383 WeakPolarHBondContact OD2-CA 3.4Å; D378-R383 PolarHBondContact OD2-N 3.46Å; D378-G385 WeakPolarHBondContact OD2-CA 3.47Å; D378-G385 PolarHBondContact OD2-N 2.91Å
379	K	80.9	Confident	85.8	Confident	38 Å²	38	31.9 Å²	31.9	17%	0.165	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-29.9	-178.3	175.6	171.3	172.8	139.1	0	114.5	M377 P493 R494 P495	M377-K379 HydrophobicContact CG-CB 4.27Å; M377-K379 HydrophobicContact SD-CB 3.97Å; K379-P493 PolarHBondContact NZ-O 3.01Å; K379-R494 PolarHBondContact NZ-O 3.31Å; K379-P495 HydrophobicContact CG-CB 4.48Å
380	Y	84.5	Confident	86.3	Confident	149 Å²	149	36 Å²	36	58%	0.584	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	9.7	-175.3	-57.3	-62	0	0	0	114.4	D378 K382	D378-Y380 PolarHBondContact O-N 2.69Å; Y380-K382 PolarHBondContact O-N 2.74Å
381	Q	86.1	Confident	86.5	Confident	59 Å²	59	44.1 Å²	44.1	28%	0.276	21%	0.207	S	C	.	.			trans	49.9	53.8	-177.3	-57.8	-178.1	-2.9	0	0	112.3	G279 N280 D378 G385 S386	G279-Q381 WeakPolarHBondContact O-CG 3.26Å; G279-Q381 PolarHBondContact O-NE2 3.42Å; N280-Q381 PolarHBondContact OD1-NE2 3.38Å; N280-Q381 VanDerWaalsContact OD1-NE2 3.11Å; D378-Q381 PolarHBondContact O-N 3.09Å; Q381-G385 WeakPolarHBondContact CG-O 3.4Å; Q381-S386 WeakPolarHBondContact O-CB 3.45Å
382	K	83.5	Confident	86.8	Confident	155 Å²	155	45.5 Å²	45.5	67%	0.674	21%	0.213	S	C	*	.	S	Bend	trans	-104	0.1	-177.7	-72.3	-172.2	176	-174.9	0	113.7	D378 Y380	D378-K382 PolarHBondContact OD1-N 2.93Å; D378-K382 VanDerWaalsContact OD1-N 3.11Å; D378-K382 PolarHBondContact OD2-N 2.8Å; Y380-K382 PolarHBondContact O-N 2.74Å
383	R	85.8	Confident	87.1	Confident	42 Å²	42	45.9 Å²	45.9	16%	0.158	21%	0.214	C	C	.	.	S	Bend	trans	-147.2	-135.8	-175.5	-68.4	170.2	-65	177.3	5.2	107.5	T338 R341 Y376 M377 D378 G385 S386	T338-R383 HydrophobicContact CG2-CB 4.44Å; R341-R383 HydrophobicContact CB-CG 3.91Å; R341-R383 VanDerWaalsContact O-CD 3.3Å; R341-R383 WeakPolarHBondContact O-CD 3.46Å; Y376-R383 VanDerWaalsContact CE2-CZ 3.43Å; Y376-R383 WeakPolarHBondContact OH-CB 3.41Å; Y376-R383 PolarHBondContact OH-NE 2.9Å; M377-R383 PolarHBondContact O-NH2 2.86Å; D378-R383 IonicContact OD1-CZ 2.6Å; D378-R383 IonicContact OD1-NE 3.48Å; D378-R383 PolarHBondContact OD1-NE 2.84Å; D378-R383 IonicContact OD1-NH2 2.84Å; D378-R383 PolarHBondContact OD1-NH2 2.87Å; D378-R383 WeakPolarHBondContact OD2-CA 3.4Å; D378-R383 PolarHBondContact OD2-N 3.46Å; R383-G385 PolarHBondContact O-N 2.82Å; R383-S386 WeakPolarHBondContact O-CB 3.49Å; R383-S386 PolarHBondContact O-N 2.87Å; R383-S386 PolarHBondContact O-OG 2.88Å
384	L	88.9	Confident	87.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-53.2	-28.6	-179	-70.2	-175.8	0	0	0	115.1	M276 L314 I322 L326 T338 L339 T342 Y376 S386 Y387	M276-L384 HydrophobicContact SD-CD1 4.01Å; L314-L384 HydrophobicContact CD1-CD1 3.97Å; I322-L384 HydrophobicContact CG2-CD2 3.87Å; L326-L384 HydrophobicContact CD1-CD2 3.54Å; T338-L384 HydrophobicContact CG2-CD2 3.93Å; T338-L384 HydrophobicContact CG2-CG 4.34Å; L339-L384 HydrophobicContact CD2-CD2 4.41Å; T342-L384 HydrophobicContact CG2-CD1 3.63Å; T342-L384 HydrophobicContact CG2-CG 4.05Å; Y376-L384 HydrophobicContact CE1-CB 4.05Å; Y376-L384 PolarHBondContact OH-N 3.46Å; Y376-L384 VanDerWaalsContact OH-N 3.1Å; L384-S386 PolarHBondContact O-N 3.25Å; L384-S386 VanDerWaalsContact O-N 3.15Å; L384-Y387 PolarHBondContact O-N 3.44Å; L384-Y387 VanDerWaalsContact O-N 3.11Å
385	G	88.1	Confident	87.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.6	-16.6	178.4	0	0	0	0	0	113.9	R278 D378 Q381 R383 Y387	R278-G385 WeakPolarHBondContact CD-O 3.27Å; R278-G385 PolarHBondContact NH1-O 3.02Å; D378-G385 WeakPolarHBondContact OD2-CA 3.47Å; D378-G385 PolarHBondContact OD2-N 2.91Å; Q381-G385 WeakPolarHBondContact CG-O 3.4Å; R383-G385 PolarHBondContact O-N 2.82Å; G385-Y387 VanDerWaalsContact C-N 3.34Å
386	S	89.7	Confident	88	Confident	38 Å²	38	60.3 Å²	60.3	27%	0.266	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-78.9	-13.1	174.9	69.1	0	0	0	0	114.5	W334 Q381 R383 L384	W334-S386 WeakPolarHBondContact CZ2-OG 3.38Å; Q381-S386 WeakPolarHBondContact O-CB 3.45Å; R383-S386 WeakPolarHBondContact O-CB 3.49Å; R383-S386 PolarHBondContact O-N 2.87Å; R383-S386 PolarHBondContact O-OG 2.88Å; L384-S386 PolarHBondContact O-N 3.25Å; L384-S386 VanDerWaalsContact O-N 3.15Å
387	Y	92.6	Very high	88.5	Confident	19 Å²	19	61.3 Å²	61.3	8%	0.075	30%	0.3	C	S	.	.			trans	-92.6	138.3	173.5	-158.8	-90.9	0	0	0	110.4	R278 I325 L326 A329 R330 L384 G385 F389 E392 W400	R278-Y387 PolarHBondContact NH1-O 3.31Å; R278-Y387 VanDerWaalsContact NH1-O 3.09Å; I325-Y387 HydrophobicContact CG2-CE1 3.96Å; L326-Y387 HydrophobicContact CD2-CD1 4Å; L326-Y387 HydrophobicContact CD2-CD2 3.34Å; L326-Y387 HydrophobicContact CD2-CE1 4.44Å; L326-Y387 HydrophobicContact CD2-CE2 3.85Å; L326-Y387 HydrophobicContact CD2-CG 3.43Å; L326-Y387 VanDerWaalsContact CD2-CG 3.43Å; A329-Y387 HydrophobicContact CB-CE2 3.71Å; A329-Y387 WeakPolarHBondContact CB-OH 3.33Å; R330-Y387 HydrophobicContact CG-CD2 4.16Å; R330-Y387 HydrophobicContact CG-CE2 4.13Å; L384-Y387 PolarHBondContact O-N 3.44Å; L384-Y387 VanDerWaalsContact O-N 3.11Å; G385-Y387 VanDerWaalsContact C-N 3.34Å; Y387-F389 AromaticContact CD1-CD1 3.53Å; Y387-F389 HydrophobicContact CD1-CD1 3.53Å; Y387-F389 HydrophobicContact CD1-CD2 4.02Å; Y387-F389 AromaticContact CD1-CE1 3.53Å; Y387-F389 HydrophobicContact CD1-CE1 3.53Å; Y387-F389 HydrophobicContact CD1-CE2 4.02Å; Y387-F389 AromaticContact CD1-CG 3.78Å; Y387-F389 HydrophobicContact CD1-CG 3.78Å; Y387-F389 AromaticContact CD1-CZ 3.79Å; Y387-F389 HydrophobicContact CD1-CZ 3.79Å; Y387-F389 AromaticContact CE1-CD1 3.77Å; Y387-F389 HydrophobicContact CE1-CD1 3.77Å; Y387-F389 HydrophobicContact CE1-CE1 4.01Å; Y387-F389 HydrophobicContact CE1-CG 4.26Å; Y387-F389 HydrophobicContact CG-CE1 4.37Å; Y387-F389 HydrophobicContact CG-CZ 4.29Å; Y387-E392 PolarHBondContact OH-OE1 3.17Å; Y387-W400 PolarHBondContact O-NE1 3.01Å
388	D	92.8	Very high	89.1	Confident	82 Å²	82	62.3 Å²	62.3	44%	0.439	30%	0.303	S	S	.	.			trans	-112.2	101.5	178.5	-157	48.6	0	0	0	108.8	R278 T390	R278-D388 IonicContact CZ-OD1 2.78Å; R278-D388 IonicContact NH1-OD1 2.77Å; R278-D388 PolarHBondContact NH1-OD1 3.1Å; R278-D388 VanDerWaalsContact NH1-OD1 3.15Å; R278-D388 IonicContact NH2-OD1 3.17Å; R278-D388 PolarHBondContact NH2-OD1 3.48Å; D388-T390 PolarHBondContact O-N 3.48Å; D388-T390 VanDerWaalsContact O-N 3.1Å; D388-T390 PolarHBondContact OD2-OG1 2.93Å
389	F	93.6	Very high	89.6	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-75.1	8.6	-171.1	-68.2	-80.7	0	0	0	114.2	F287 I322 I325 L326 Y387 K391 E392 E393 I396 W400	F287-F389 HydrophobicContact CE2-CB 4.35Å; F287-F389 AromaticContact CE2-CD2 3.58Å; F287-F389 HydrophobicContact CE2-CD2 3.58Å; F287-F389 HydrophobicContact CE2-CE2 4.16Å; F287-F389 HydrophobicContact CE2-CG 4.13Å; F287-F389 HydrophobicContact CZ-CD2 4.1Å; F287-F389 HydrophobicContact CZ-CE2 4.45Å; F287-F389 HydrophobicContact CZ-CG 4.4Å; I322-F389 HydrophobicContact CD1-CZ 4.36Å; I322-F389 HydrophobicContact CG1-CE1 4.11Å; I322-F389 HydrophobicContact CG1-CZ 4.11Å; I322-F389 HydrophobicContact CG2-CZ 4.2Å; I325-F389 HydrophobicContact CG2-CD1 4.39Å; I325-F389 HydrophobicContact CG2-CE1 4.23Å; L326-F389 HydrophobicContact CD2-CZ 4.49Å; Y387-F389 AromaticContact CD1-CD1 3.53Å; Y387-F389 HydrophobicContact CD1-CD1 3.53Å; Y387-F389 HydrophobicContact CD1-CD2 4.02Å; Y387-F389 AromaticContact CD1-CE1 3.53Å; Y387-F389 HydrophobicContact CD1-CE1 3.53Å; Y387-F389 HydrophobicContact CD1-CE2 4.02Å; Y387-F389 AromaticContact CD1-CG 3.78Å; Y387-F389 HydrophobicContact CD1-CG 3.78Å; Y387-F389 AromaticContact CD1-CZ 3.79Å; Y387-F389 HydrophobicContact CD1-CZ 3.79Å; Y387-F389 AromaticContact CE1-CD1 3.77Å; Y387-F389 HydrophobicContact CE1-CD1 3.77Å; Y387-F389 HydrophobicContact CE1-CE1 4.01Å; Y387-F389 HydrophobicContact CE1-CG 4.26Å; Y387-F389 HydrophobicContact CG-CE1 4.37Å; Y387-F389 HydrophobicContact CG-CZ 4.29Å; F389-K391 PolarHBondContact O-N 3Å; F389-E392 VanDerWaalsContact CA-OE2 3.27Å; F389-E392 WeakPolarHBondContact CA-OE2 3.41Å; F389-E392 CarbonylContact O-C 3.56Å; F389-E392 WeakPolarHBondContact O-CA 3.42Å; F389-E392 PolarHBondContact O-N 3.27Å; F389-E392 VanDerWaalsContact O-OE2 3.14Å; F389-E393 WeakPolarHBondContact O-CG 3.46Å; F389-E393 PolarHBondContact O-N 2.76Å; F389-I396 HydrophobicContact CB-CD1 3.81Å; F389-I396 HydrophobicContact CD1-CD1 3.73Å; F389-I396 HydrophobicContact CG-CD1 3.89Å; F389-W400 AromaticContact CD2-NE1 3.62Å
390	T	93.7	Very high	90.2	Very high	85 Å²	85	61 Å²	61	52%	0.521	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-54.4	-23.2	-175.7	-50.5	0	0	0	0	113.7	D388	D388-T390 PolarHBondContact O-N 3.48Å; D388-T390 VanDerWaalsContact O-N 3.1Å; D388-T390 PolarHBondContact OD2-OG1 2.93Å
391	K	92.9	Very high	90.6	Very high	194 Å²	194	56.3 Å²	56.3	84%	0.843	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-88	-16.4	175.8	-67.7	-173.8	175.6	-172.4	0	113.8	F389	F389-K391 PolarHBondContact O-N 3Å
392	E	93.7	Very high	90.6	Very high	28 Å²	28	55 Å²	55	13%	0.131	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	1.3	-173.7	-53.6	88.1	167.9	0	0	112.4	I325 Y387 F389 E394 V395 I396	I325-E392 HydrophobicContact CD1-CB 3.76Å; I325-E392 HydrophobicContact CD1-CG 4Å; I325-E392 HydrophobicContact CG1-CB 4.43Å; I325-E392 HydrophobicContact CG1-CG 4.13Å; I325-E392 HydrophobicContact CG2-CG 3.82Å; Y387-E392 PolarHBondContact OH-OE1 3.17Å; F389-E392 VanDerWaalsContact CA-OE2 3.27Å; F389-E392 WeakPolarHBondContact CA-OE2 3.41Å; F389-E392 CarbonylContact O-C 3.56Å; F389-E392 WeakPolarHBondContact O-CA 3.42Å; F389-E392 PolarHBondContact O-N 3.27Å; F389-E392 VanDerWaalsContact O-OE2 3.14Å; E392-E394 VanDerWaalsContact C-N 3.26Å; E392-E394 PolarHBondContact O-N 2.74Å; E392-V395 WeakPolarHBondContact O-CA 3.31Å; E392-V395 WeakPolarHBondContact O-CB 3.28Å; E392-V395 PolarHBondContact O-N 3.09Å; E392-I396 WeakPolarHBondContact O-CG1 3.33Å; E392-I396 PolarHBondContact O-N 3.23Å
393	E	93.3	Very high	90.2	Very high	32 Å²	32	49 Å²	49	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-51.9	-40	-179.9	-82	-164.1	179.3	0	0	113.2	L290 F389 G397 R401	L290-E393 HydrophobicContact CD1-CB 3.49Å; L290-E393 VanDerWaalsContact CD1-CB 3.49Å; L290-E393 HydrophobicContact CD1-CG 3.71Å; L290-E393 WeakPolarHBondContact CD1-OE2 3.3Å; F389-E393 WeakPolarHBondContact O-CG 3.46Å; F389-E393 PolarHBondContact O-N 2.76Å; E393-G397 WeakPolarHBondContact O-CA 3.44Å; E393-G397 PolarHBondContact O-N 2.99Å; E393-R401 IonicContact OE1-CZ 3.49Å; E393-R401 IonicContact OE1-NH1 2.69Å; E393-R401 PolarHBondContact OE1-NH1 2.88Å; E393-R401 IonicContact OE1-NH2 3.42Å; E393-R401 PolarHBondContact OE1-NH2 3.4Å; E393-R401 IonicContact OE2-CZ 3.56Å; E393-R401 IonicContact OE2-NH1 3.51Å; E393-R401 IonicContact OE2-NH2 2.7Å; E393-R401 PolarHBondContact OE2-NH2 3.2Å
394	E	88.1	Confident	89.5	Confident	192 Å²	192	50.4 Å²	50.4	90%	0.897	28%	0.278	S	S	*	.	H	α-helix	trans	-66.1	-36.1	174.8	-176	176.6	-166.5	0	0	112.7	E392	E392-E394 VanDerWaalsContact C-N 3.26Å; E392-E394 PolarHBondContact O-N 2.74Å
395	V	86.7	Confident	89.1	Confident	109 Å²	109	55.3 Å²	55.3	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-80.3	-31.6	-176.8	-178.8	0	0	0	0	111.9	E392	E392-V395 WeakPolarHBondContact O-CA 3.31Å; E392-V395 WeakPolarHBondContact O-CB 3.28Å; E392-V395 PolarHBondContact O-N 3.09Å
396	I	89.8	Confident	88.4	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-102.9	-20	-177.2	72.1	-167.5	0	0	0	114	F287 N321 I325 F389 E392 Y398	F287-I396 HydrophobicContact CZ-CD1 3.89Å; N321-I396 HydrophobicContact CB-CG2 4.29Å; I325-I396 HydrophobicContact CD1-CG2 3.27Å; F389-I396 HydrophobicContact CB-CD1 3.81Å; F389-I396 HydrophobicContact CD1-CD1 3.73Å; F389-I396 HydrophobicContact CG-CD1 3.89Å; E392-I396 WeakPolarHBondContact O-CG1 3.33Å; E392-I396 PolarHBondContact O-N 3.23Å; I396-Y398 WeakPolarHBondContact CD1-O 3.43Å; I396-Y398 VanDerWaalsContact CG1-O 3.29Å; I396-Y398 WeakPolarHBondContact CG1-O 3.42Å; I396-Y398 WeakPolarHBondContact O-CD2 3.32Å; I396-Y398 WeakPolarHBondContact O-CE2 3.44Å; I396-Y398 PolarHBondContact O-N 3.1Å
397	G	91.1	Very high	87.3	Confident	25 Å²	25	56.9 Å²	56.9	26%	0.258	32%	0.317	S	S	.	.	S	Bend	trans	73.4	6.2	-177.7	0	0	0	0	0	115	L290 E393	L290-G397 PolarHBondContact N-O 2.96Å; E393-G397 WeakPolarHBondContact O-CA 3.44Å; E393-G397 PolarHBondContact O-N 2.99Å
398	Y	93.1	Very high	85.7	Confident	39 Å²	39	59 Å²	59	15%	0.153	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.2	-176.7	-60.3	-78.4	0	0	0	111.3	F287 V288 E289 P302 L318 I396	F287-Y398 HydrophobicContact CD1-CG 4.39Å; F287-Y398 HydrophobicContact CE1-CD2 4.45Å; F287-Y398 AromaticContact CE1-CG 3.91Å; F287-Y398 HydrophobicContact CE1-CG 3.91Å; F287-Y398 VanDerWaalsContact CZ-CB 3.5Å; V288-Y398 VanDerWaalsContact O-CA 3.26Å; V288-Y398 WeakPolarHBondContact O-CA 3.42Å; E289-Y398 HydrophobicContact CB-CD1 4.07Å; E289-Y398 HydrophobicContact CB-CE1 3.81Å; E289-Y398 HydrophobicContact CG-CD1 4.46Å; E289-Y398 HydrophobicContact CG-CE1 4.05Å; P302-Y398 VanDerWaalsContact CA-CE1 3.48Å; P302-Y398 HydrophobicContact CB-CD1 4.07Å; P302-Y398 HydrophobicContact CB-CE1 3.63Å; P302-Y398 HydrophobicContact CG-CD1 3.81Å; P302-Y398 HydrophobicContact CG-CE1 3.85Å; P302-Y398 HydrophobicContact CG-CG 4.49Å; L318-Y398 HydrophobicContact CD1-CD2 3.82Å; L318-Y398 HydrophobicContact CD1-CE2 4.18Å; L318-Y398 HydrophobicContact CD2-CD2 4.33Å; L318-Y398 HydrophobicContact CD2-CE2 4.29Å; I396-Y398 WeakPolarHBondContact CD1-O 3.43Å; I396-Y398 VanDerWaalsContact CG1-O 3.29Å; I396-Y398 WeakPolarHBondContact CG1-O 3.42Å; I396-Y398 WeakPolarHBondContact O-CD2 3.32Å; I396-Y398 WeakPolarHBondContact O-CE2 3.44Å; I396-Y398 PolarHBondContact O-N 3.1Å
399	G	93.8	Very high	83.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165.8	176.8	0	0	0	0	0	113.6	F287 V288	F287-G399 WeakPolarHBondContact CA-O 2.95Å; V288-G399 PolarHBondContact N-O 2.91Å; V288-G399 PolarHBondContact O-N 2.9Å; V288-G399 VanDerWaalsContact O-N 3.09Å
400	W	93.5	Very high	82	Confident	14 Å²	14	58.7 Å²	58.7	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.8	177.1	-64.6	112.2	0	0	0	110.7	M276 R278 E285 L286 F287 Y387 F389	M276-W400 HydrophobicContact CB-CH2 4.26Å; M276-W400 HydrophobicContact CB-CZ3 4.39Å; M276-W400 WeakPolarHBondContact O-CZ3 3.24Å; R278-W400 HydrophobicContact CB-CE3 4.38Å; R278-W400 HydrophobicContact CB-CH2 4.04Å; R278-W400 HydrophobicContact CB-CZ3 3.93Å; R278-W400 HydrophobicContact CG-CD2 4.01Å; R278-W400 HydrophobicContact CG-CE3 3.69Å; R278-W400 HydrophobicContact CG-CH2 4.15Å; R278-W400 HydrophobicContact CG-CZ2 4.42Å; R278-W400 HydrophobicContact CG-CZ3 3.77Å; R278-W400 VanDerWaalsContact CZ-CG 3.41Å; R278-W400 VanDerWaalsContact NH1-CD1 3.32Å; E285-W400 HydrophobicContact CB-CB 4.42Å; E285-W400 HydrophobicContact CB-CE3 4.41Å; L286-W400 WeakPolarHBondContact O-CA 3.4Å; F287-W400 HydrophobicContact CB-CE3 4.01Å; F287-W400 HydrophobicContact CB-CH2 4.46Å; F287-W400 HydrophobicContact CB-CZ3 3.96Å; F287-W400 AromaticContact CD2-CD2 3.81Å; F287-W400 HydrophobicContact CD2-CD2 3.81Å; F287-W400 AromaticContact CD2-CE2 3.94Å; F287-W400 HydrophobicContact CD2-CE3 4.13Å; F287-W400 HydrophobicContact CD2-CG 4.13Å; F287-W400 HydrophobicContact CD2-CZ2 4.36Å; Y387-W400 PolarHBondContact O-NE1 3.01Å; F389-W400 AromaticContact CD2-NE1 3.62Å
401	R	91.7	Very high	80.2	Confident	51 Å²	51	62.9 Å²	62.9	19%	0.192	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.4	-179.7	-63.4	-63.8	-177.3	-95.9	5.4	111.9	E285 L286 V288 L290 W293 E393 I403	E285-R401 CarbonylContact C-O 3.46Å; E285-R401 VanDerWaalsContact CA-O 3.22Å; E285-R401 WeakPolarHBondContact CA-O 3.44Å; L286-R401 PolarHBondContact N-O 2.81Å; L286-R401 PolarHBondContact O-N 2.97Å; V288-R401 HydrophobicContact CG2-CB 3.84Å; V288-R401 HydrophobicContact CG2-CG 3.5Å; L290-R401 VanDerWaalsContact CD2-NH2 3.31Å; W293-R401 HydrophobicContact CD2-CB 3.95Å; W293-R401 HydrophobicContact CD2-CG 3.82Å; W293-R401 HydrophobicContact CE3-CB 4.29Å; W293-R401 HydrophobicContact CG-CG 3.91Å; W293-R401 HydrophobicContact CH2-CB 4.02Å; W293-R401 HydrophobicContact CZ2-CB 3.67Å; W293-R401 HydrophobicContact CZ2-CG 4.21Å; W293-R401 HydrophobicContact CZ3-CB 4.31Å; E393-R401 IonicContact OE1-CZ 3.49Å; E393-R401 IonicContact OE1-NH1 2.69Å; E393-R401 PolarHBondContact OE1-NH1 2.88Å; E393-R401 IonicContact OE1-NH2 3.42Å; E393-R401 PolarHBondContact OE1-NH2 3.4Å; E393-R401 IonicContact OE2-CZ 3.56Å; E393-R401 IonicContact OE2-NH1 3.51Å; E393-R401 IonicContact OE2-NH2 2.7Å; E393-R401 PolarHBondContact OE2-NH2 3.2Å; R401-I403 PolarHBondContact O-N 2.89Å
402	S	87.1	Confident	78.5	Confident	32 Å²	32	55.8 Å²	55.8	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	121	177.1	169.6	0	0	0	0	110.5	W293 G404 N405	W293-S402 WeakPolarHBondContact CH2-O 3.25Å; S402-G404 PolarHBondContact O-N 3.08Å; S402-G404 PolarHBondContact OG-N 3.45Å; S402-N405 WeakPolarHBondContact CB-OD1 3.46Å; S402-N405 WeakPolarHBondContact O-CB 3.43Å; S402-N405 PolarHBondContact O-N 2.79Å; S402-N405 VanDerWaalsContact O-N 3.08Å; S402-N405 PolarHBondContact OG-OD1 2.78Å
403	I	74.7	Confident	76.8	Confident	30 Å²	30	55.2 Å²	55.2	15%	0.154	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66.7	-21.7	178.4	-165.1	172.2	0	0	0	112.7	Y284 R401 N405 A406 V485 V489	Y284-I403 WeakPolarHBondContact O-CG2 3.27Å; Y284-I403 PolarHBondContact O-N 3.39Å; R401-I403 PolarHBondContact O-N 2.89Å; I403-N405 PolarHBondContact O-N 2.92Å; I403-N405 VanDerWaalsContact O-N 3.09Å; I403-A406 HydrophobicContact CG1-CB 4.39Å; I403-A406 VanDerWaalsContact O-CB 3.26Å; I403-A406 WeakPolarHBondContact O-CB 3.47Å; I403-A406 PolarHBondContact O-N 3.27Å; I403-A406 VanDerWaalsContact O-N 3.14Å; I403-V485 HydrophobicContact CD1-CG1 4.05Å; I403-V489 HydrophobicContact CD1-CB 3.93Å; I403-V489 HydrophobicContact CD1-CG1 4.44Å; I403-V489 HydrophobicContact CD1-CG2 3.58Å; I403-V489 HydrophobicContact CG2-CG1 4.07Å
404	G	71.1	Confident	75.2	Confident	71 Å²	71	56.5 Å²	56.5	73%	0.732	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-65	-9.1	172.6	0	0	0	0	0	114.2	S402	S402-G404 PolarHBondContact O-N 3.08Å; S402-G404 PolarHBondContact OG-N 3.45Å
405	N	79.6	Confident	73.7	Confident	103 Å²	103	51.2 Å²	51.2	55%	0.551	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-108.5	4.9	179.4	-56.1	37.2	0	0	0	112.1	W293 K297 S402 I403	W293-N405 HydrophobicContact CH2-CB 4.07Å; W293-N405 HydrophobicContact CZ2-CB 3.91Å; K297-N405 WeakPolarHBondContact CB-O 3.08Å; S402-N405 WeakPolarHBondContact CB-OD1 3.46Å; S402-N405 WeakPolarHBondContact O-CB 3.43Å; S402-N405 PolarHBondContact O-N 2.79Å; S402-N405 VanDerWaalsContact O-N 3.08Å; S402-N405 PolarHBondContact OG-OD1 2.78Å; I403-N405 PolarHBondContact O-N 2.92Å; I403-N405 VanDerWaalsContact O-N 3.09Å
406	A	73.3	Confident	72.2	Confident	28 Å²	28	46.4 Å²	46.4	23%	0.231	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.4	139.5	-175.3	0	0	0	0	0	112.6	W293 V299 I403	W293-A406 HydrophobicContact CH2-CB 4.15Å; W293-A406 HydrophobicContact CZ3-CB 3.95Å; V299-A406 HydrophobicContact CG2-CB 3.47Å; V299-A406 VanDerWaalsContact CG2-CB 3.47Å; I403-A406 HydrophobicContact CG1-CB 4.39Å; I403-A406 VanDerWaalsContact O-CB 3.26Å; I403-A406 WeakPolarHBondContact O-CB 3.47Å; I403-A406 PolarHBondContact O-N 3.27Å; I403-A406 VanDerWaalsContact O-N 3.14Å
407	S	68.1	Low	70.8	Confident	44 Å²	44	45.8 Å²	45.8	31%	0.308	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-89.2	129.6	159.7	57.8	0	0	0	0	109.5	E296 K297 K298	E296-S407 PolarHBondContact O-OG 2.85Å; K297-S407 PolarHBondContact O-N 2.04Å; K297-S407 PolarHBondContact O-OG 2.87Å; K298-S407 WeakPolarHBondContact CA-OG 3.42Å; K298-S407 PolarHBondContact N-OG 2.77Å
408	V	58.7	Low	69.6	Low	63 Å²	63	46.6 Å²	46.6	38%	0.382	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-93	122.1	172.8	-177.4	0	0	0	0	107.9	F413 V483 T486	V408-F413 HydrophobicContact CG1-CE1 3.92Å; V408-F413 HydrophobicContact CG1-CZ 4.13Å; V408-V483 HydrophobicContact CG1-CG2 3.81Å; V408-T486 HydrophobicContact CG2-CG2 4.26Å
409	G	54	Low	68.4	Low	16 Å²	16	49.9 Å²	49.9	17%	0.165	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.7	131.8	-172.8	0	0	0	0	0	114.1
410	S	54.6	Low	67	Low	62 Å²	62	55 Å²	55	43%	0.434	32%	0.319	S	S	.	.			trans	58.9	122.6	154.2	65.7	0	0	0	0	119	W412 F413	S410-W412 VanDerWaalsContact C-N 3.25Å; S410-W412 PolarHBondContact O-N 2.99Å; S410-W412 PolarHBondContact OG-NE1 3.24Å; S410-F413 WeakPolarHBondContact O-CD1 3.46Å; S410-F413 VanDerWaalsContact O-CE1 3.25Å; S410-F413 WeakPolarHBondContact O-CE1 3.43Å
411	E	55.3	Low	65.6	Low	173 Å²	173	54.3 Å²	54.3	81%	0.808	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15	-170.1	-57.5	-175.6	144.9	0	0	116.8	F413 Q414	E411-F413 PolarHBondContact O-N 2.77Å; E411-F413 VanDerWaalsContact O-N 3.08Å; E411-Q414 VanDerWaalsContact O-CB 3.28Å; E411-Q414 WeakPolarHBondContact O-CB 3.08Å; E411-Q414 WeakPolarHBondContact O-CG 3.07Å; E411-Q414 PolarHBondContact O-N 3.38Å
412	W	57.2	Low	64.4	Low	45 Å²	45	54.7 Å²	54.7	17%	0.17	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-57.8	-30.8	-171.6	69.6	-86.8	0	0	0	113.5	S410 Q414 S415 I416 I476 E479 L480	S410-W412 VanDerWaalsContact C-N 3.25Å; S410-W412 PolarHBondContact O-N 2.99Å; S410-W412 PolarHBondContact OG-NE1 3.24Å; W412-Q414 PolarHBondContact O-N 2.59Å; W412-Q414 VanDerWaalsContact O-N 3.1Å; W412-S415 WeakPolarHBondContact O-CB 3.19Å; W412-S415 PolarHBondContact O-N 2.91Å; W412-S415 VanDerWaalsContact O-N 3.14Å; W412-S415 PolarHBondContact O-OG 2.96Å; W412-I416 HydrophobicContact CE3-CD1 3.85Å; W412-I416 HydrophobicContact CZ3-CD1 3.55Å; W412-I476 HydrophobicContact CH2-CB 4.27Å; W412-I476 HydrophobicContact CH2-CG2 3.36Å; W412-I476 VanDerWaalsContact CH2-O 3.3Å; W412-I476 WeakPolarHBondContact CH2-O 3.42Å; W412-I476 HydrophobicContact CZ2-CB 4.49Å; W412-I476 HydrophobicContact CZ2-CG2 4.02Å; W412-I476 WeakPolarHBondContact CZ2-O 3.42Å; W412-I476 HydrophobicContact CZ3-CG2 3.69Å; W412-E479 HydrophobicContact CZ2-CB 4.07Å; W412-L480 HydrophobicContact CH2-CB 4.22Å
413	F	58.6	Low	63.5	Low	16 Å²	16	53.6 Å²	53.6	7%	0.07	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.8	178.7	66.7	-106.2	0	0	0	112.7	V408 S410 E411 S415 I416 L417 V483	V408-F413 HydrophobicContact CG1-CE1 3.92Å; V408-F413 HydrophobicContact CG1-CZ 4.13Å; S410-F413 WeakPolarHBondContact O-CD1 3.46Å; S410-F413 VanDerWaalsContact O-CE1 3.25Å; S410-F413 WeakPolarHBondContact O-CE1 3.43Å; E411-F413 PolarHBondContact O-N 2.77Å; E411-F413 VanDerWaalsContact O-N 3.08Å; F413-S415 PolarHBondContact O-N 3.37Å; F413-S415 VanDerWaalsContact O-N 3.17Å; F413-I416 PolarHBondContact O-N 2.86Å; F413-L417 HydrophobicContact CD2-CD1 3.58Å; F413-L417 HydrophobicContact CD2-CG 4.11Å; F413-L417 HydrophobicContact CE2-CD1 3.92Å; F413-L417 WeakPolarHBondContact O-CG 2.87Å; F413-L417 PolarHBondContact O-N 3.02Å; F413-V483 HydrophobicContact CB-CG2 4.09Å; F413-V483 HydrophobicContact CD1-CG1 4.48Å; F413-V483 HydrophobicContact CD1-CG2 3.31Å; F413-V483 HydrophobicContact CD2-CG1 3.73Å; F413-V483 HydrophobicContact CD2-CG2 4.06Å; F413-V483 HydrophobicContact CE1-CG2 3.66Å; F413-V483 HydrophobicContact CE2-CG1 3.87Å; F413-V483 HydrophobicContact CE2-CG2 4.34Å; F413-V483 HydrophobicContact CG-CB 4.41Å; F413-V483 HydrophobicContact CG-CG1 4.08Å; F413-V483 HydrophobicContact CG-CG2 3.57Å; F413-V483 HydrophobicContact CZ-CG1 4.33Å; F413-V483 HydrophobicContact CZ-CG2 4.16Å
414	Q	58.6	Low	63.1	Low	60 Å²	60	53.8 Å²	53.8	28%	0.28	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.9	-32	-179.9	-62.5	-70.9	18.3	0	0	112.1	E411 W412 I416 R422	E411-Q414 VanDerWaalsContact O-CB 3.28Å; E411-Q414 WeakPolarHBondContact O-CB 3.08Å; E411-Q414 WeakPolarHBondContact O-CG 3.07Å; E411-Q414 PolarHBondContact O-N 3.38Å; W412-Q414 PolarHBondContact O-N 2.59Å; W412-Q414 VanDerWaalsContact O-N 3.1Å; Q414-I416 VanDerWaalsContact C-N 3.27Å; Q414-I416 PolarHBondContact O-N 2.76Å; Q414-R422 VanDerWaalsContact O-CZ 3.28Å; Q414-R422 PolarHBondContact O-NE 3.33Å; Q414-R422 PolarHBondContact O-NH2 2.92Å
415	S	56.6	Low	62.7	Low	80 Å²	80	53.6 Å²	53.6	56%	0.559	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.9	177.9	67.2	0	0	0	0	114.2	W412 F413	W412-S415 WeakPolarHBondContact O-CB 3.19Å; W412-S415 PolarHBondContact O-N 2.91Å; W412-S415 VanDerWaalsContact O-N 3.14Å; W412-S415 PolarHBondContact O-OG 2.96Å; F413-S415 PolarHBondContact O-N 3.37Å; F413-S415 VanDerWaalsContact O-N 3.17Å
416	I	55.4	Low	62.1	Low	8 Å²	8	52.8 Å²	52.8	4%	0.041	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-29.5	-171.6	-74.3	158	0	0	0	112	W412 F413 Q414 T444 A448 L464	W412-I416 HydrophobicContact CE3-CD1 3.85Å; W412-I416 HydrophobicContact CZ3-CD1 3.55Å; F413-I416 PolarHBondContact O-N 2.86Å; Q414-I416 VanDerWaalsContact C-N 3.27Å; Q414-I416 PolarHBondContact O-N 2.76Å; I416-T444 HydrophobicContact CG2-CG2 4.45Å; I416-A448 HydrophobicContact CG2-CB 3.54Å; I416-L464 HydrophobicContact CD1-CD2 4.25Å
417	L	61.6	Low	61.7	Low	2 Å²	2	54.6 Å²	54.6	1%	0.01	31%	0.306	C	S	.	.	S	Bend	trans	-59.2	134.3	170.6	-66.5	-178.3	0	0	0	111.2	F413 L421 R422 I425 T444 V483	F413-L417 HydrophobicContact CD2-CD1 3.58Å; F413-L417 HydrophobicContact CD2-CG 4.11Å; F413-L417 HydrophobicContact CE2-CD1 3.92Å; F413-L417 WeakPolarHBondContact O-CG 2.87Å; F413-L417 PolarHBondContact O-N 3.02Å; L417-L421 HydrophobicContact CD2-CD2 4.18Å; L417-R422 PolarHBondContact O-NH2 2.82Å; L417-I425 HydrophobicContact CD1-CD1 3.41Å; L417-I425 VanDerWaalsContact CD1-CD1 3.41Å; L417-T444 HydrophobicContact CD2-CG2 4.4Å; L417-V483 HydrophobicContact CD1-CG1 4.27Å
418	P	64.2	Low	61.9	Low	41 Å²	41	59.4 Å²	59.4	27%	0.266	32%	0.321	S	S	.	.			trans	-59.7	148.1	172.2	-23	33	0	0	0	111.3	Q420 L421 R422 M440 T444	P418-Q420 PolarHBondContact O-N 3.28Å; P418-L421 WeakPolarHBondContact O-CA 3.3Å; P418-L421 PolarHBondContact O-N 2.8Å; P418-R422 PolarHBondContact O-N 3.02Å; P418-M440 HydrophobicContact CB-SD 4.41Å; P418-M440 HydrophobicContact CG-CG 4.09Å; P418-T444 WeakPolarHBondContact CD-OG1 3.26Å; P418-T444 HydrophobicContact CG-CG2 4.44Å; P418-T444 WeakPolarHBondContact CG-OG1 3.37Å
419	D	69.6	Low	62.3	Low	108 Å²	108	62.2 Å²	62.2	58%	0.578	33%	0.329	S	S	*	.	H	α-helix	trans	-60.9	-26.1	-175.9	-49.2	-63.7	0	0	0	113.2	R422 A423	D419-R422 IonicContact OD1-CZ 3.4Å; D419-R422 IonicContact OD1-NH1 3.74Å; D419-R422 PolarHBondContact OD1-NH1 2.89Å; D419-R422 IonicContact OD1-NH2 2.71Å; D419-R422 PolarHBondContact OD1-NH2 2.92Å; D419-A423 WeakPolarHBondContact O-CB 3.48Å; D419-A423 PolarHBondContact O-N 3Å
420	Q	64.4	Low	63	Low	107 Å²	107	71.1 Å²	71.1	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-42.1	171.1	-70.6	177.4	-35.2	0	0	112.3	P418 Y424 M440	P418-Q420 PolarHBondContact O-N 3.28Å; Q420-Y424 PolarHBondContact O-N 3.39Å; Q420-Y424 VanDerWaalsContact O-N 3.11Å; Q420-M440 HydrophobicContact CB-CE 3.97Å; Q420-M440 HydrophobicContact CB-SD 4.03Å
421	L	63.8	Low	63.3	Low	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-78	-37.9	-179.4	-152.6	60.9	0	0	0	111.3	L417 P418 Y424 I425 T437 M440 M441 V487	L417-L421 HydrophobicContact CD2-CD2 4.18Å; P418-L421 WeakPolarHBondContact O-CA 3.3Å; P418-L421 PolarHBondContact O-N 2.8Å; L421-Y424 HydrophobicContact CD1-CD1 4.32Å; L421-Y424 PolarHBondContact O-N 3.14Å; L421-I425 WeakPolarHBondContact O-CG1 3.38Å; L421-I425 PolarHBondContact O-N 3.13Å; L421-T437 HydrophobicContact CD1-CG2 3.71Å; L421-M440 HydrophobicContact CB-SD 3.89Å; L421-M440 HydrophobicContact CD1-SD 4.05Å; L421-M440 HydrophobicContact CG-SD 4.41Å; L421-M441 HydrophobicContact CD2-CG 4.21Å; L421-V487 HydrophobicContact CD1-CG1 3.83Å; L421-V487 HydrophobicContact CG-CG1 4.28Å
422	R	66.7	Low	63.7	Low	59 Å²	59	63.1 Å²	63.1	22%	0.223	33%	0.328	C	S	.	.	H	α-helix	trans	-57.5	-53.6	169.6	-162.7	-175.7	-48.5	111.9	11.7	110.5	Q414 L417 P418 D419 Y424 I425 E426	Q414-R422 VanDerWaalsContact O-CZ 3.28Å; Q414-R422 PolarHBondContact O-NE 3.33Å; Q414-R422 PolarHBondContact O-NH2 2.92Å; L417-R422 PolarHBondContact O-NH2 2.82Å; P418-R422 PolarHBondContact O-N 3.02Å; D419-R422 IonicContact OD1-CZ 3.4Å; D419-R422 IonicContact OD1-NH1 3.74Å; D419-R422 PolarHBondContact OD1-NH1 2.89Å; D419-R422 IonicContact OD1-NH2 2.71Å; D419-R422 PolarHBondContact OD1-NH2 2.92Å; R422-Y424 PolarHBondContact O-N 2.96Å; R422-I425 PolarHBondContact O-N 3.32Å; R422-I425 VanDerWaalsContact O-N 3.1Å; R422-E426 HydrophobicContact CG-CG 4.35Å; R422-E426 WeakPolarHBondContact O-CB 3.23Å; R422-E426 VanDerWaalsContact O-CG 3.26Å; R422-E426 WeakPolarHBondContact O-CG 3.35Å; R422-E426 PolarHBondContact O-N 3.26Å
423	A	68.3	Low	64.3	Low	10 Å²	10	62.8 Å²	62.8	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-25.1	178.6	0	0	0	0	0	113.6	D419 G427 K428 K429	D419-A423 WeakPolarHBondContact O-CB 3.48Å; D419-A423 PolarHBondContact O-N 3Å; A423-G427 CarbonylContact O-C 3.55Å; A423-G427 PolarHBondContact O-N 2.87Å; A423-K428 HydrophobicContact CB-CB 4.16Å; A423-K428 CarbonylContact O-C 3.58Å; A423-K428 WeakPolarHBondContact O-CA 3.34Å; A423-K428 WeakPolarHBondContact O-CB 3.47Å; A423-K428 PolarHBondContact O-N 3.19Å; A423-K429 HydrophobicContact CB-CB 4.1Å; A423-K429 HydrophobicContact CB-CD 3.85Å; A423-K429 HydrophobicContact CB-CG 3.88Å; A423-K429 PolarHBondContact O-N 3.16Å
424	Y	65.4	Low	64.7	Low	33 Å²	33	66.9 Å²	66.9	13%	0.129	36%	0.357	C	S	.	.	H	α-helix	trans	-72.6	-46.4	171.4	170.4	-127.9	0	0	0	112.2	Q420 L421 R422 E426 G427 A431 V487 N490 L491	Q420-Y424 PolarHBondContact O-N 3.39Å; Q420-Y424 VanDerWaalsContact O-N 3.11Å; L421-Y424 HydrophobicContact CD1-CD1 4.32Å; L421-Y424 PolarHBondContact O-N 3.14Å; R422-Y424 PolarHBondContact O-N 2.96Å; Y424-E426 VanDerWaalsContact C-N 3.3Å; Y424-E426 PolarHBondContact O-N 3.34Å; Y424-G427 PolarHBondContact O-N 3.23Å; Y424-A431 HydrophobicContact CD2-CB 4.03Å; Y424-A431 HydrophobicContact CE1-CB 4.37Å; Y424-A431 HydrophobicContact CE2-CB 3.53Å; Y424-V487 HydrophobicContact CD1-CG1 3.83Å; Y424-V487 HydrophobicContact CE1-CG1 3.69Å; Y424-N490 WeakPolarHBondContact OH-CB 3.2Å; Y424-N490 PolarHBondContact OH-O 2.64Å; Y424-N490 VanDerWaalsContact OH-O 3.05Å; Y424-L491 HydrophobicContact CE1-CD2 3.8Å; Y424-L491 HydrophobicContact CE1-CG 4.47Å; Y424-L491 PolarHBondContact OH-N 2.82Å
425	I	62	Low	65.3	Low	68 Å²	68	69.9 Å²	69.9	35%	0.349	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-40.2	176.1	-65.3	167.5	0	0	0	111.1	L417 L421 R422 G427 V487	L417-I425 HydrophobicContact CD1-CD1 3.41Å; L417-I425 VanDerWaalsContact CD1-CD1 3.41Å; L421-I425 WeakPolarHBondContact O-CG1 3.38Å; L421-I425 PolarHBondContact O-N 3.13Å; R422-I425 PolarHBondContact O-N 3.32Å; R422-I425 VanDerWaalsContact O-N 3.1Å; I425-G427 PolarHBondContact O-N 3.36Å; I425-V487 HydrophobicContact CD1-CG2 3.52Å; I425-V487 HydrophobicContact CG1-CG2 3.77Å
426	E	66.8	Low	66.1	Low	86 Å²	86	71.1 Å²	71.1	40%	0.402	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	0.8	175.6	-62.8	175.5	122.8	0	0	113.7	R422 Y424 K428	R422-E426 HydrophobicContact CG-CG 4.35Å; R422-E426 WeakPolarHBondContact O-CB 3.23Å; R422-E426 VanDerWaalsContact O-CG 3.26Å; R422-E426 WeakPolarHBondContact O-CG 3.35Å; R422-E426 PolarHBondContact O-N 3.26Å; Y424-E426 VanDerWaalsContact C-N 3.3Å; Y424-E426 PolarHBondContact O-N 3.34Å; E426-K428 HydrophobicContact CB-CD 4Å; E426-K428 HydrophobicContact CB-CG 3.95Å; E426-K428 PolarHBondContact O-N 3.07Å; E426-K428 VanDerWaalsContact O-N 3.11Å; E426-K428 IonicContact OE1-NZ 2.68Å; E426-K428 PolarHBondContact OE1-NZ 2.85Å; E426-K428 WeakPolarHBondContact OE2-CD 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.35Å; E426-K428 IonicContact OE2-NZ 3.15Å; E426-K428 PolarHBondContact OE2-NZ 3.34Å
427	G	66.3	Low	66.6	Low	65 Å²	65	70.8 Å²	70.8	67%	0.67	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	-0.6	-178	0	0	0	0	0	115.6	A423 Y424 I425 K429	A423-G427 CarbonylContact O-C 3.55Å; A423-G427 PolarHBondContact O-N 2.87Å; Y424-G427 PolarHBondContact O-N 3.23Å; I425-G427 PolarHBondContact O-N 3.36Å; G427-K429 VanDerWaalsContact C-N 3.31Å; G427-K429 PolarHBondContact O-N 2.81Å
428	K	71.4	Confident	66.9	Low	145 Å²	145	72.6 Å²	72.6	63%	0.63	39%	0.385	S	S	*	.	S	Bend	trans	-71.2	-19.2	-178.2	-59.8	174.9	-169.5	160.4	0	113.7	A423 E426	A423-K428 HydrophobicContact CB-CB 4.16Å; A423-K428 CarbonylContact O-C 3.58Å; A423-K428 WeakPolarHBondContact O-CA 3.34Å; A423-K428 WeakPolarHBondContact O-CB 3.47Å; A423-K428 PolarHBondContact O-N 3.19Å; E426-K428 HydrophobicContact CB-CD 4Å; E426-K428 HydrophobicContact CB-CG 3.95Å; E426-K428 PolarHBondContact O-N 3.07Å; E426-K428 VanDerWaalsContact O-N 3.11Å; E426-K428 IonicContact OE1-NZ 2.68Å; E426-K428 PolarHBondContact OE1-NZ 2.85Å; E426-K428 WeakPolarHBondContact OE2-CD 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.35Å; E426-K428 IonicContact OE2-NZ 3.15Å; E426-K428 PolarHBondContact OE2-NZ 3.34Å
429	K	68.2	Low	67.3	Low	123 Å²	123	72.4 Å²	72.4	54%	0.535	39%	0.385	S	S	.	.	S	Bend	trans	-137.6	151.9	176.7	-72.8	-175.8	-178	174.7	0	111.7	A423 G427	A423-K429 HydrophobicContact CB-CB 4.1Å; A423-K429 HydrophobicContact CB-CD 3.85Å; A423-K429 HydrophobicContact CB-CG 3.88Å; A423-K429 PolarHBondContact O-N 3.16Å; G427-K429 VanDerWaalsContact C-N 3.31Å; G427-K429 PolarHBondContact O-N 2.81Å
430	K	67.9	Low	67.4	Low	202 Å²	202	68.2 Å²	68.2	88%	0.878	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-63.6	152.8	169.1	-69.4	-176.4	177.8	178.9	0	110.3
431	A	61.5	Low	67.6	Low	45 Å²	45	63.1 Å²	63.1	37%	0.372	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-53.9	140.3	172.2	0	0	0	0	0	111.1	Y424 L491	Y424-A431 HydrophobicContact CD2-CB 4.03Å; Y424-A431 HydrophobicContact CE1-CB 4.37Å; Y424-A431 HydrophobicContact CE2-CB 3.53Å; A431-L491 HydrophobicContact CB-CD2 3.87Å
432	P	64.2	Low	67.9	Low	22 Å²	22	66.5 Å²	66.5	14%	0.143	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.3	169.6	163.4	-5.1	19.6	0	0	0	110.4	E436 T437 M440	P432-E436 WeakPolarHBondContact CA-OE2 3.4Å; P432-E436 HydrophobicContact CB-CB 4.24Å; P432-E436 HydrophobicContact CB-CG 3.82Å; P432-E436 VanDerWaalsContact CB-OE2 3.24Å; P432-E436 WeakPolarHBondContact CB-OE2 3.42Å; P432-T437 VanDerWaalsContact CB-OG1 3.3Å; P432-T437 WeakPolarHBondContact CB-OG1 3.33Å; P432-T437 WeakPolarHBondContact CD-OG1 3.29Å; P432-T437 HydrophobicContact CG-CG2 4.26Å; P432-T437 WeakPolarHBondContact CG-OG1 3.21Å; P432-T437 PolarHBondContact O-OG1 3.07Å; P432-M440 HydrophobicContact CB-CE 4.22Å; P432-M440 HydrophobicContact CG-CE 3.77Å
433	G	69.2	Low	68.3	Low	39 Å²	39	70.3 Å²	70.3	40%	0.402	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.3	154.7	173.6	0	0	0	0	0	111.5	T435 E436 T437	G433-T435 VanDerWaalsContact C-N 3.34Å; G433-T435 PolarHBondContact O-N 2.9Å; G433-E436 PolarHBondContact N-OE2 2.98Å; G433-E436 WeakPolarHBondContact O-CB 3.2Å; G433-E436 PolarHBondContact O-N 2.83Å; G433-T437 PolarHBondContact O-N 3.03Å; G433-T437 PolarHBondContact O-OG1 2.93Å
434	K	67.6	Low	68.4	Low	102 Å²	102	70 Å²	70	44%	0.443	37%	0.37	S	S	.	.	H	α-helix	trans	-54.2	-50.2	-177.9	-172.6	-167	175.9	-168.2	0	111.9	T437 V438 Y492	K434-T437 PolarHBondContact O-N 3.25Å; K434-V438 WeakPolarHBondContact O-CG2 3.4Å; K434-V438 PolarHBondContact O-N 2.8Å; K434-Y492 WeakPolarHBondContact CE-OH 3.25Å; K434-Y492 PolarHBondContact NZ-OH 2.83Å
435	T	70.9	Confident	68.6	Low	122 Å²	122	68.5 Å²	68.5	75%	0.748	36%	0.364	S	S	*	.	H	α-helix	trans	-65.2	-40.5	-179.9	-43.8	0	0	0	0	112.1	G433 V438 S439	G433-T435 VanDerWaalsContact C-N 3.34Å; G433-T435 PolarHBondContact O-N 2.9Å; T435-V438 PolarHBondContact O-N 2.75Å; T435-S439 PolarHBondContact O-N 2.78Å
436	E	72	Confident	69.1	Low	107 Å²	107	68.4 Å²	68.4	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-45.1	176.4	178.5	-176.9	-155.2	0	0	111.2	P432 G433 S439 M440	P432-E436 WeakPolarHBondContact CA-OE2 3.4Å; P432-E436 HydrophobicContact CB-CB 4.24Å; P432-E436 HydrophobicContact CB-CG 3.82Å; P432-E436 VanDerWaalsContact CB-OE2 3.24Å; P432-E436 WeakPolarHBondContact CB-OE2 3.42Å; G433-E436 PolarHBondContact N-OE2 2.98Å; G433-E436 WeakPolarHBondContact O-CB 3.2Å; G433-E436 PolarHBondContact O-N 2.83Å; E436-S439 PolarHBondContact O-N 2.8Å; E436-M440 VanDerWaalsContact O-CB 3.3Å; E436-M440 WeakPolarHBondContact O-CB 3.43Å; E436-M440 PolarHBondContact O-N 2.8Å
437	T	67.7	Low	69.4	Low	0 Å²	0	70 Å²	70	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-39.2	178.7	-42.8	0	0	0	0	111.6	L421 P432 G433 K434 M440 M441 L491	L421-T437 HydrophobicContact CD1-CG2 3.71Å; P432-T437 VanDerWaalsContact CB-OG1 3.3Å; P432-T437 WeakPolarHBondContact CB-OG1 3.33Å; P432-T437 WeakPolarHBondContact CD-OG1 3.29Å; P432-T437 HydrophobicContact CG-CG2 4.26Å; P432-T437 WeakPolarHBondContact CG-OG1 3.21Å; P432-T437 PolarHBondContact O-OG1 3.07Å; G433-T437 PolarHBondContact O-N 3.03Å; G433-T437 PolarHBondContact O-OG1 2.93Å; K434-T437 PolarHBondContact O-N 3.25Å; T437-M440 PolarHBondContact O-N 2.7Å; T437-M441 HydrophobicContact CG2-CE 3.81Å; T437-M441 HydrophobicContact CG2-SD 4.23Å; T437-M441 WeakPolarHBondContact O-CB 3.35Å; T437-M441 VanDerWaalsContact O-CG 3.22Å; T437-M441 WeakPolarHBondContact O-CG 3Å; T437-M441 PolarHBondContact O-N 3.36Å; T437-L491 HydrophobicContact CG2-CD1 3.61Å; T437-L491 HydrophobicContact CG2-CD2 4.04Å; T437-L491 HydrophobicContact CG2-CG 4.4Å
438	V	67.8	Low	69.5	Low	40 Å²	40	67.1 Å²	67.1	24%	0.242	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.8	171.2	0	0	0	0	111.1	L353 K434 T435 M440 M441 E442	L353-V438 HydrophobicContact CD2-CG1 4.35Å; K434-V438 WeakPolarHBondContact O-CG2 3.4Å; K434-V438 PolarHBondContact O-N 2.8Å; T435-V438 PolarHBondContact O-N 2.75Å; V438-M440 VanDerWaalsContact C-N 3.32Å; V438-M440 PolarHBondContact O-N 2.82Å; V438-M441 WeakPolarHBondContact O-CB 3.49Å; V438-M441 PolarHBondContact O-N 3.42Å; V438-E442 PolarHBondContact O-N 3.4Å
439	S	72	Confident	69.3	Low	38 Å²	38	60.7 Å²	60.7	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-34	175.1	-172.6	0	0	0	0	112.6	T435 E436 K443	T435-S439 PolarHBondContact O-N 2.78Å; E436-S439 PolarHBondContact O-N 2.8Å; S439-K443 WeakPolarHBondContact O-CB 3.38Å; S439-K443 WeakPolarHBondContact O-CD 3.25Å; S439-K443 VanDerWaalsContact O-CG 3.26Å; S439-K443 WeakPolarHBondContact O-CG 3.24Å; S439-K443 PolarHBondContact O-N 2.79Å; S439-K443 PolarHBondContact OG-NZ 2.85Å
440	M	71.6	Confident	69.4	Low	19 Å²	19	59.1 Å²	59.1	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-42.4	173	-170.8	-174.8	-55.4	0	0	111.1	P418 Q420 L421 P432 E436 T437 V438 T444	P418-M440 HydrophobicContact CB-SD 4.41Å; P418-M440 HydrophobicContact CG-CG 4.09Å; Q420-M440 HydrophobicContact CB-CE 3.97Å; Q420-M440 HydrophobicContact CB-SD 4.03Å; L421-M440 HydrophobicContact CB-SD 3.89Å; L421-M440 HydrophobicContact CD1-SD 4.05Å; L421-M440 HydrophobicContact CG-SD 4.41Å; P432-M440 HydrophobicContact CB-CE 4.22Å; P432-M440 HydrophobicContact CG-CE 3.77Å; E436-M440 VanDerWaalsContact O-CB 3.3Å; E436-M440 WeakPolarHBondContact O-CB 3.43Å; E436-M440 PolarHBondContact O-N 2.8Å; T437-M440 PolarHBondContact O-N 2.7Å; V438-M440 VanDerWaalsContact C-N 3.32Å; V438-M440 PolarHBondContact O-N 2.82Å; M440-T444 WeakPolarHBondContact O-CB 3.32Å; M440-T444 PolarHBondContact O-N 3.13Å; M440-T444 PolarHBondContact O-OG1 3.19Å
441	M	69.3	Low	69.3	Low	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-47.8	174.4	-74.4	163.5	171.1	0	0	111.7	L421 T437 V438 K443 T444 M445 I484 V487 I488 L491	L421-M441 HydrophobicContact CD2-CG 4.21Å; T437-M441 HydrophobicContact CG2-CE 3.81Å; T437-M441 HydrophobicContact CG2-SD 4.23Å; T437-M441 WeakPolarHBondContact O-CB 3.35Å; T437-M441 VanDerWaalsContact O-CG 3.22Å; T437-M441 WeakPolarHBondContact O-CG 3Å; T437-M441 PolarHBondContact O-N 3.36Å; V438-M441 WeakPolarHBondContact O-CB 3.49Å; V438-M441 PolarHBondContact O-N 3.42Å; M441-K443 PolarHBondContact O-N 2.73Å; M441-T444 WeakPolarHBondContact O-CB 3.15Å; M441-T444 PolarHBondContact O-N 3.1Å; M441-T444 VanDerWaalsContact O-N 3.11Å; M441-M445 WeakPolarHBondContact O-CG 3.29Å; M441-M445 PolarHBondContact O-N 3.26Å; M441-I484 HydrophobicContact CE-CG2 4.17Å; M441-I484 HydrophobicContact CG-CG2 4.22Å; M441-I484 HydrophobicContact SD-CG2 4.01Å; M441-V487 HydrophobicContact CE-CB 3.55Å; M441-V487 HydrophobicContact CE-CG1 3.31Å; M441-I488 HydrophobicContact CE-CD1 4.4Å; M441-I488 HydrophobicContact CE-CG1 3.56Å; M441-I488 HydrophobicContact SD-CD1 3.92Å; M441-I488 HydrophobicContact SD-CG1 3.59Å; M441-I488 VanDerWaalsContact SD-CG1 3.59Å; M441-L491 HydrophobicContact CE-CD1 4.2Å
442	E	70	Confident	69.3	Low	72 Å²	72	50.9 Å²	50.9	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-55.7	-49.8	176.5	-170.3	-153.1	156.2	0	0	111	V438 T444 M445 K446	V438-E442 PolarHBondContact O-N 3.4Å; E442-T444 VanDerWaalsContact C-N 3.32Å; E442-T444 PolarHBondContact O-N 2.85Å; E442-M445 PolarHBondContact O-N 3.16Å; E442-K446 HydrophobicContact CG-CD 4.31Å; E442-K446 WeakPolarHBondContact O-CB 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.19Å; E442-K446 PolarHBondContact O-N 2.97Å; E442-K446 WeakPolarHBondContact OE1-CE 3.18Å; E442-K446 IonicContact OE1-NZ 2.9Å; E442-K446 PolarHBondContact OE1-NZ 2.74Å
443	K	74.9	Confident	69.2	Low	139 Å²	139	49.9 Å²	49.9	60%	0.604	26%	0.257	S	S	*	.	H	α-helix	trans	-64	-34.6	176.6	-71	168.2	-177.2	167.8	0	112.8	S439 M441 K447	S439-K443 WeakPolarHBondContact O-CB 3.38Å; S439-K443 WeakPolarHBondContact O-CD 3.25Å; S439-K443 VanDerWaalsContact O-CG 3.26Å; S439-K443 WeakPolarHBondContact O-CG 3.24Å; S439-K443 PolarHBondContact O-N 2.79Å; S439-K443 PolarHBondContact OG-NZ 2.85Å; M441-K443 PolarHBondContact O-N 2.73Å; K443-K447 VanDerWaalsContact O-CB 3.31Å; K443-K447 WeakPolarHBondContact O-CB 3.15Å; K443-K447 PolarHBondContact O-N 3.5Å
444	T	70.1	Confident	68.8	Low	4 Å²	4	49.9 Å²	49.9	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-48.3	175	-58.1	0	0	0	0	110.7	I416 L417 P418 M440 M441 E442 K447 A448	I416-T444 HydrophobicContact CG2-CG2 4.45Å; L417-T444 HydrophobicContact CD2-CG2 4.4Å; P418-T444 WeakPolarHBondContact CD-OG1 3.26Å; P418-T444 HydrophobicContact CG-CG2 4.44Å; P418-T444 WeakPolarHBondContact CG-OG1 3.37Å; M440-T444 WeakPolarHBondContact O-CB 3.32Å; M440-T444 PolarHBondContact O-N 3.13Å; M440-T444 PolarHBondContact O-OG1 3.19Å; M441-T444 WeakPolarHBondContact O-CB 3.15Å; M441-T444 PolarHBondContact O-N 3.1Å; M441-T444 VanDerWaalsContact O-N 3.11Å; E442-T444 VanDerWaalsContact C-N 3.32Å; E442-T444 PolarHBondContact O-N 2.85Å; T444-K447 PolarHBondContact O-N 2.85Å; T444-A448 VanDerWaalsContact O-CB 3.25Å; T444-A448 WeakPolarHBondContact O-CB 3.26Å; T444-A448 PolarHBondContact O-N 3.36Å
445	M	69.3	Low	68.4	Low	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-46.6	177.9	-69.1	177.4	-171.6	0	0	110.9	L353 F354 L373 M441 E442 A448 V449 F481 I484	L353-M445 HydrophobicContact CB-CE 4Å; L353-M445 HydrophobicContact CB-SD 4.34Å; L353-M445 HydrophobicContact CD1-CE 3.86Å; F354-M445 HydrophobicContact CB-SD 3.74Å; F354-M445 HydrophobicContact CD2-CB 3.59Å; F354-M445 HydrophobicContact CD2-CG 4.41Å; F354-M445 HydrophobicContact CD2-SD 3.95Å; F354-M445 HydrophobicContact CE2-CB 3.91Å; F354-M445 HydrophobicContact CG-SD 4.19Å; L373-M445 HydrophobicContact CD2-CE 3.51Å; L373-M445 HydrophobicContact CD2-SD 3.91Å; M441-M445 WeakPolarHBondContact O-CG 3.29Å; M441-M445 PolarHBondContact O-N 3.26Å; E442-M445 PolarHBondContact O-N 3.16Å; M445-A448 PolarHBondContact O-N 2.88Å; M445-V449 VanDerWaalsContact O-CB 3.27Å; M445-V449 WeakPolarHBondContact O-CB 3.22Å; M445-V449 VanDerWaalsContact O-CG2 3.26Å; M445-V449 WeakPolarHBondContact O-CG2 3.45Å; M445-V449 PolarHBondContact O-N 3.14Å; M445-F481 HydrophobicContact CE-CD1 4.1Å; M445-F481 HydrophobicContact CE-CE1 4.23Å; M445-F481 HydrophobicContact CG-CE1 4.23Å; M445-F481 HydrophobicContact SD-CD1 4.35Å; M445-F481 HydrophobicContact SD-CE1 3.88Å; M445-I484 HydrophobicContact CE-CB 4.28Å; M445-I484 HydrophobicContact CE-CD1 3.45Å; M445-I484 VanDerWaalsContact CE-CD1 3.45Å; M445-I484 HydrophobicContact CE-CG1 4.41Å; M445-I484 HydrophobicContact CE-CG2 3.69Å; M445-I484 HydrophobicContact CG-CD1 3.85Å
446	K	73.4	Confident	67.4	Low	66 Å²	66	41.4 Å²	41.4	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-59.6	-50.4	177.1	-73.6	178.4	175.8	-179.4	0	111.5	F354 D356 E442 A448 V449 D450	F354-K446 HydrophobicContact CE2-CG 3.9Å; D356-K446 WeakPolarHBondContact OD2-CE 3.1Å; D356-K446 IonicContact OD2-NZ 3.69Å; D356-K446 PolarHBondContact OD2-NZ 2.76Å; E442-K446 HydrophobicContact CG-CD 4.31Å; E442-K446 WeakPolarHBondContact O-CB 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.19Å; E442-K446 PolarHBondContact O-N 2.97Å; E442-K446 WeakPolarHBondContact OE1-CE 3.18Å; E442-K446 IonicContact OE1-NZ 2.9Å; E442-K446 PolarHBondContact OE1-NZ 2.74Å; K446-A448 VanDerWaalsContact C-N 3.32Å; K446-A448 PolarHBondContact O-N 2.87Å; K446-V449 CarbonylContact O-C 3.43Å; K446-V449 PolarHBondContact O-N 2.93Å; K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 3.39Å
447	K	73.1	Confident	66.6	Low	120 Å²	120	38.4 Å²	38.4	52%	0.522	19%	0.191	S	C	.	.	H	α-helix	trans	-58.3	-41.4	174.4	-174.4	-172.2	172	-165.8	0	112.7	K443 T444 D450 Q451	K443-K447 VanDerWaalsContact O-CB 3.31Å; K443-K447 WeakPolarHBondContact O-CB 3.15Å; K443-K447 PolarHBondContact O-N 3.5Å; T444-K447 PolarHBondContact O-N 2.85Å; K447-D450 PolarHBondContact O-N 3.39Å; K447-Q451 WeakPolarHBondContact O-CB 3.28Å; K447-Q451 VanDerWaalsContact O-CG 3.3Å; K447-Q451 WeakPolarHBondContact O-CG 3.47Å; K447-Q451 PolarHBondContact O-N 3.08Å
448	A	67.5	Low	65.9	Low	4 Å²	4	41.1 Å²	41.1	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-42.9	177.6	0	0	0	0	0	111.8	I416 T444 M445 K446 Q451 V452 L480	I416-A448 HydrophobicContact CG2-CB 3.54Å; T444-A448 VanDerWaalsContact O-CB 3.25Å; T444-A448 WeakPolarHBondContact O-CB 3.26Å; T444-A448 PolarHBondContact O-N 3.36Å; M445-A448 PolarHBondContact O-N 2.88Å; K446-A448 VanDerWaalsContact C-N 3.32Å; K446-A448 PolarHBondContact O-N 2.87Å; A448-Q451 PolarHBondContact O-N 2.95Å; A448-V452 WeakPolarHBondContact O-CB 3.1Å; A448-V452 VanDerWaalsContact O-CG2 3.25Å; A448-V452 WeakPolarHBondContact O-CG2 3.39Å; A448-V452 PolarHBondContact O-N 3.21Å; A448-L480 HydrophobicContact CB-CD2 3.53Å
449	V	68.2	Low	65.2	Low	9 Å²	9	40 Å²	40	6%	0.055	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-41.8	175.7	162.1	0	0	0	0	110.9	F354 V358 M445 K446 S453 V477	F354-V449 HydrophobicContact CE2-CG2 4.11Å; F354-V449 HydrophobicContact CZ-CB 4.35Å; F354-V449 HydrophobicContact CZ-CG1 4.26Å; F354-V449 HydrophobicContact CZ-CG2 3.79Å; V358-V449 HydrophobicContact CG1-CG1 4.38Å; V358-V449 HydrophobicContact CG1-CG2 4.19Å; M445-V449 VanDerWaalsContact O-CB 3.27Å; M445-V449 WeakPolarHBondContact O-CB 3.22Å; M445-V449 VanDerWaalsContact O-CG2 3.26Å; M445-V449 WeakPolarHBondContact O-CG2 3.45Å; M445-V449 PolarHBondContact O-N 3.14Å; K446-V449 CarbonylContact O-C 3.43Å; K446-V449 PolarHBondContact O-N 2.93Å; V449-S453 WeakPolarHBondContact O-CB 3.42Å; V449-S453 PolarHBondContact O-N 2.9Å; V449-V477 HydrophobicContact CG2-CG2 4.49Å
450	D	69.1	Low	64.2	Low	91 Å²	91	42.5 Å²	42.5	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-48.5	173.8	-69.9	-38	0	0	0	111.8	K446 K447 S453 D454	K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 3.39Å; K447-D450 PolarHBondContact O-N 3.39Å; D450-S453 VanDerWaalsContact O-CB 3.31Å; D450-S453 WeakPolarHBondContact O-CB 3.08Å; D450-S453 PolarHBondContact O-N 3.44Å; D450-S453 VanDerWaalsContact O-N 3.13Å; D450-D454 PolarHBondContact O-N 2.89Å
451	Q	65.4	Low	63.4	Low	71 Å²	71	44.7 Å²	44.7	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-50.4	177.5	-72.9	-178.3	-84.6	0	0	110.9	K447 A448 S453 D454 I455	K447-Q451 WeakPolarHBondContact O-CB 3.28Å; K447-Q451 VanDerWaalsContact O-CG 3.3Å; K447-Q451 WeakPolarHBondContact O-CG 3.47Å; K447-Q451 PolarHBondContact O-N 3.08Å; A448-Q451 PolarHBondContact O-N 2.95Å; Q451-S453 PolarHBondContact O-N 3.25Å; Q451-D454 PolarHBondContact O-N 2.96Å; Q451-I455 WeakPolarHBondContact O-CD1 3.38Å; Q451-I455 WeakPolarHBondContact O-CG1 3.49Å; Q451-I455 PolarHBondContact O-N 3.1Å; Q451-I455 VanDerWaalsContact O-N 3.07Å
452	V	62.5	Low	62.7	Low	2 Å²	2	48.4 Å²	48.4	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-34.4	175.3	172.9	0	0	0	0	111	P359 A448 I455 V456 L464 C473 I476	P359-V452 HydrophobicContact CG-CB 4.43Å; P359-V452 HydrophobicContact CG-CG1 4.02Å; A448-V452 WeakPolarHBondContact O-CB 3.1Å; A448-V452 VanDerWaalsContact O-CG2 3.25Å; A448-V452 WeakPolarHBondContact O-CG2 3.39Å; A448-V452 PolarHBondContact O-N 3.21Å; V452-I455 PolarHBondContact O-N 3.43Å; V452-V456 HydrophobicContact CG1-CG2 3.81Å; V452-V456 VanDerWaalsContact O-CB 3.24Å; V452-V456 WeakPolarHBondContact O-CB 3.32Å; V452-V456 WeakPolarHBondContact O-CG2 3.21Å; V452-V456 PolarHBondContact O-N 2.87Å; V452-L464 HydrophobicContact CG2-CD2 4.23Å; V452-C473 HydrophobicContact CG1-CB 3.87Å; V452-I476 HydrophobicContact CG2-CG2 3.92Å
453	S	62.3	Low	61.9	Low	2 Å²	2	50.3 Å²	50.3	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-47.4	177.7	-174.3	0	0	0	0	111.6	P359 V449 D450 Q451 I455 V456 L457	P359-S453 VanDerWaalsContact CB-CA 3.48Å; V449-S453 WeakPolarHBondContact O-CB 3.42Å; V449-S453 PolarHBondContact O-N 2.9Å; D450-S453 VanDerWaalsContact O-CB 3.31Å; D450-S453 WeakPolarHBondContact O-CB 3.08Å; D450-S453 PolarHBondContact O-N 3.44Å; D450-S453 VanDerWaalsContact O-N 3.13Å; Q451-S453 PolarHBondContact O-N 3.25Å; S453-I455 VanDerWaalsContact C-N 3.3Å; S453-I455 PolarHBondContact O-N 2.79Å; S453-V456 PolarHBondContact O-N 3.05Å; S453-L457 VanDerWaalsContact O-CB 3.24Å; S453-L457 WeakPolarHBondContact O-CB 3.18Å; S453-L457 VanDerWaalsContact O-CG 3.31Å; S453-L457 WeakPolarHBondContact O-CG 3.42Å; S453-L457 PolarHBondContact O-N 3.11Å
454	D	61.2	Low	60.9	Low	39 Å²	39	44.5 Å²	44.5	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-72.5	-26.4	-179.7	-70.5	-16.2	0	0	0	112.6	F195 K198 D450 Q451 Y458 G459 T460	F195-D454 HydrophobicContact CE2-CB 4.29Å; F195-D454 WeakPolarHBondContact CE2-OD1 3.32Å; F195-D454 WeakPolarHBondContact CZ-OD2 3.44Å; K198-D454 IonicContact NZ-OD1 2.73Å; K198-D454 PolarHBondContact NZ-OD1 3.16Å; D450-D454 PolarHBondContact O-N 2.89Å; Q451-D454 PolarHBondContact O-N 2.96Å; D454-Y458 CarbonylContact O-C 3.25Å; D454-Y458 VanDerWaalsContact O-CA 3.29Å; D454-Y458 WeakPolarHBondContact O-CA 3.49Å; D454-Y458 WeakPolarHBondContact O-CB 3.44Å; D454-Y458 PolarHBondContact O-N 3.03Å; D454-G459 PolarHBondContact O-N 3.15Å; D454-T460 HydrophobicContact CB-CG2 4.35Å; D454-T460 PolarHBondContact O-OG1 2.97Å
455	I	57.4	Low	60.3	Low	10 Å²	10	49 Å²	49	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-75.9	-44.7	174.3	-65	154.6	0	0	0	111.4	Q451 V452 S453 G459 D461 L464 R465 V468	Q451-I455 WeakPolarHBondContact O-CD1 3.38Å; Q451-I455 WeakPolarHBondContact O-CG1 3.49Å; Q451-I455 PolarHBondContact O-N 3.1Å; Q451-I455 VanDerWaalsContact O-N 3.07Å; V452-I455 PolarHBondContact O-N 3.43Å; S453-I455 VanDerWaalsContact C-N 3.3Å; S453-I455 PolarHBondContact O-N 2.79Å; I455-G459 WeakPolarHBondContact O-CA 3.39Å; I455-G459 PolarHBondContact O-N 2.81Å; I455-D461 HydrophobicContact CD1-CB 3.79Å; I455-D461 HydrophobicContact CG1-CB 3.79Å; I455-L464 HydrophobicContact CD1-CB 3.49Å; I455-L464 VanDerWaalsContact CD1-CB 3.49Å; I455-L464 HydrophobicContact CD1-CD2 3.51Å; I455-L464 HydrophobicContact CD1-CG 4.12Å; I455-L464 HydrophobicContact CG1-CB 4.47Å; I455-L464 HydrophobicContact CG2-CB 4.44Å; I455-R465 HydrophobicContact CG2-CB 4.03Å; I455-V468 HydrophobicContact CG2-CB 4.35Å; I455-V468 HydrophobicContact CG2-CG2 3.89Å
456	V	51.6	Low	59.6	Low	35 Å²	35	53.2 Å²	53.2	21%	0.212	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-40.5	178.5	168.5	0	0	0	0	111.9	V452 S453 V468 C473	V452-V456 HydrophobicContact CG1-CG2 3.81Å; V452-V456 VanDerWaalsContact O-CB 3.24Å; V452-V456 WeakPolarHBondContact O-CB 3.32Å; V452-V456 WeakPolarHBondContact O-CG2 3.21Å; V452-V456 PolarHBondContact O-N 2.87Å; S453-V456 PolarHBondContact O-N 3.05Å; V456-V468 HydrophobicContact CG2-CG1 3.64Å; V456-V468 HydrophobicContact CG2-CG2 4.31Å; V456-C473 HydrophobicContact CG2-CB 3.77Å
457	L	53.4	Low	58.5	Low	44 Å²	44	51.7 Å²	51.7	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-93.2	-29.5	-174.1	-60.2	174.5	0	0	0	113.3	S453	S453-L457 VanDerWaalsContact O-CB 3.24Å; S453-L457 WeakPolarHBondContact O-CB 3.18Å; S453-L457 VanDerWaalsContact O-CG 3.31Å; S453-L457 WeakPolarHBondContact O-CG 3.42Å; S453-L457 PolarHBondContact O-N 3.11Å
458	Y	52.9	Low	57.6	Low	57 Å²	57	46.7 Å²	46.7	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-132.8	-4.8	-173.5	-46.9	-73.1	0	0	0	115	F195 K198 D454	F195-Y458 HydrophobicContact CD2-CD1 4.35Å; F195-Y458 AromaticContact CD2-CD2 3.61Å; F195-Y458 HydrophobicContact CD2-CD2 3.61Å; F195-Y458 HydrophobicContact CD2-CE2 4.03Å; F195-Y458 AromaticContact CD2-CG 3.82Å; F195-Y458 HydrophobicContact CD2-CG 3.82Å; F195-Y458 AromaticContact CE2-CD2 3.76Å; F195-Y458 HydrophobicContact CE2-CD2 3.76Å; F195-Y458 HydrophobicContact CE2-CE2 4.2Å; F195-Y458 HydrophobicContact CE2-CG 4.35Å; K198-Y458 HydrophobicContact CD-CE2 3.73Å; K198-Y458 WeakPolarHBondContact CD-OH 3.44Å; K198-Y458 VanDerWaalsContact CG-OH 3.32Å; K198-Y458 WeakPolarHBondContact CG-OH 3.21Å; D454-Y458 CarbonylContact O-C 3.25Å; D454-Y458 VanDerWaalsContact O-CA 3.29Å; D454-Y458 WeakPolarHBondContact O-CA 3.49Å; D454-Y458 WeakPolarHBondContact O-CB 3.44Å; D454-Y458 PolarHBondContact O-N 3.03Å
459	G	53.2	Low	56.8	Low	18 Å²	18	52.2 Å²	52.2	19%	0.186	30%	0.295	C	S	.	.			trans	69	36.4	171.1	0	0	0	0	0	115.1	D454 I455	D454-G459 PolarHBondContact O-N 3.15Å; I455-G459 WeakPolarHBondContact O-CA 3.39Å; I455-G459 PolarHBondContact O-N 2.81Å
460	T	52.6	Low	55.4	Low	90 Å²	90	57.2 Å²	57.2	55%	0.552	33%	0.325	S	S	*	.			trans	-78.5	-13.5	-166.1	49.4	0	0	0	0	116.9	D454	D454-T460 HydrophobicContact CB-CG2 4.35Å; D454-T460 PolarHBondContact O-OG1 2.97Å
461	D	53.1	Low	54.5	Low	64 Å²	64	56.4 Å²	56.4	34%	0.342	32%	0.32	S	S	.	.			trans	-130.4	125.8	177.3	-173.2	-56.8	0	0	0	110	I455 V463 L464 R465	I455-D461 HydrophobicContact CD1-CB 3.79Å; I455-D461 HydrophobicContact CG1-CB 3.79Å; D461-V463 WeakPolarHBondContact OD1-CA 3.48Å; D461-V463 WeakPolarHBondContact OD1-CB 3.34Å; D461-V463 PolarHBondContact OD1-N 3.36Å; D461-L464 HydrophobicContact CB-CB 4.28Å; D461-L464 PolarHBondContact OD1-N 2.8Å; D461-R465 WeakPolarHBondContact O-CB 2.92Å; D461-R465 PolarHBondContact O-N 2.82Å
462	A	54.6	Low	54	Low	79 Å²	79	54.1 Å²	54.1	65%	0.653	32%	0.315	S	S	*	.	H	α-helix	trans	-73.9	-30.2	-177	0	0	0	0	0	113.9	T466	A462-T466 PolarHBondContact O-N 2.84Å; A462-T466 PolarHBondContact O-OG1 3.05Å; A462-T466 VanDerWaalsContact O-OG1 3.1Å
463	V	53.2	Low	53.8	Low	111 Å²	111	54.3 Å²	54.3	67%	0.673	32%	0.317	S	S	*	.	H	α-helix	trans	-76.7	-54.1	-179.2	-178.3	0	0	0	0	109.1	D461 R465 T466 T467	D461-V463 WeakPolarHBondContact OD1-CA 3.48Å; D461-V463 WeakPolarHBondContact OD1-CB 3.34Å; D461-V463 PolarHBondContact OD1-N 3.36Å; V463-R465 VanDerWaalsContact C-N 3.29Å; V463-R465 PolarHBondContact O-N 2.81Å; V463-T466 WeakPolarHBondContact O-CB 3.16Å; V463-T466 PolarHBondContact O-N 3.16Å; V463-T467 PolarHBondContact O-N 2.79Å
464	L	55.7	Low	53.6	Low	18 Å²	18	55.9 Å²	55.9	9%	0.094	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-29.2	178.6	-118	85.2	0	0	0	112.5	I416 V452 I455 D461 T466 T467 V468	I416-L464 HydrophobicContact CD1-CD2 4.25Å; V452-L464 HydrophobicContact CG2-CD2 4.23Å; I455-L464 HydrophobicContact CD1-CB 3.49Å; I455-L464 VanDerWaalsContact CD1-CB 3.49Å; I455-L464 HydrophobicContact CD1-CD2 3.51Å; I455-L464 HydrophobicContact CD1-CG 4.12Å; I455-L464 HydrophobicContact CG1-CB 4.47Å; I455-L464 HydrophobicContact CG2-CB 4.44Å; D461-L464 HydrophobicContact CB-CB 4.28Å; D461-L464 PolarHBondContact OD1-N 2.8Å; L464-T466 VanDerWaalsContact C-N 3.29Å; L464-T466 PolarHBondContact O-N 2.93Å; L464-T467 CarbonylContact O-C 3.6Å; L464-T467 WeakPolarHBondContact O-CB 3.3Å; L464-T467 PolarHBondContact O-N 2.69Å; L464-T467 VanDerWaalsContact O-N 3.13Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 3.24Å
465	R	56.1	Low	53.6	Low	97 Å²	97	56.5 Å²	56.5	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-41.2	172.6	175	176.1	179.2	174.2	3.3	112.1	I455 D461 V463 T467 V468 D469	I455-R465 HydrophobicContact CG2-CB 4.03Å; D461-R465 WeakPolarHBondContact O-CB 2.92Å; D461-R465 PolarHBondContact O-N 2.82Å; V463-R465 VanDerWaalsContact C-N 3.29Å; V463-R465 PolarHBondContact O-N 2.81Å; R465-T467 VanDerWaalsContact C-N 3.29Å; R465-T467 PolarHBondContact O-N 3.33Å; R465-V468 PolarHBondContact O-N 3.02Å; R465-D469 WeakPolarHBondContact CG-OD2 3.45Å; R465-D469 IonicContact NE-OD2 3.91Å; R465-D469 WeakPolarHBondContact O-CB 3.3Å; R465-D469 PolarHBondContact O-N 3.01Å
466	T	54.2	Low	53.8	Low	91 Å²	91	56.2 Å²	56.2	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-61	-41	175.6	-53.9	0	0	0	0	110.8	A462 V463 L464 V470	A462-T466 PolarHBondContact O-N 2.84Å; A462-T466 PolarHBondContact O-OG1 3.05Å; A462-T466 VanDerWaalsContact O-OG1 3.1Å; V463-T466 WeakPolarHBondContact O-CB 3.16Å; V463-T466 PolarHBondContact O-N 3.16Å; L464-T466 VanDerWaalsContact C-N 3.29Å; L464-T466 PolarHBondContact O-N 2.93Å; T466-V470 WeakPolarHBondContact O-CB 3.33Å; T466-V470 VanDerWaalsContact O-CG2 3.26Å; T466-V470 WeakPolarHBondContact O-CG2 3.5Å; T466-V470 PolarHBondContact O-N 3.3Å
467	T	51.3	Low	54.4	Low	33 Å²	33	54.9 Å²	54.9	20%	0.202	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-40.4	174.5	-48.2	0	0	0	0	112.5	V463 L464 R465 V470 L471 I476	V463-T467 PolarHBondContact O-N 2.79Å; L464-T467 CarbonylContact O-C 3.6Å; L464-T467 WeakPolarHBondContact O-CB 3.3Å; L464-T467 PolarHBondContact O-N 2.69Å; L464-T467 VanDerWaalsContact O-N 3.13Å; R465-T467 VanDerWaalsContact C-N 3.29Å; R465-T467 PolarHBondContact O-N 3.33Å; T467-V470 PolarHBondContact O-N 2.93Å; T467-L471 HydrophobicContact CG2-CD1 3.82Å; T467-L471 HydrophobicContact CG2-CG 4.43Å; T467-L471 WeakPolarHBondContact O-CB 3.39Å; T467-L471 PolarHBondContact O-N 3.01Å; T467-I476 HydrophobicContact CG2-CD1 4.04Å; T467-I476 HydrophobicContact CG2-CG1 4.24Å
468	V	54.2	Low	55	Low	16 Å²	16	53.3 Å²	53.3	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-45.1	177.6	166.4	0	0	0	0	111.8	I455 V456 L464 R465 V470 G472 I476	I455-V468 HydrophobicContact CG2-CB 4.35Å; I455-V468 HydrophobicContact CG2-CG2 3.89Å; V456-V468 HydrophobicContact CG2-CG1 3.64Å; V456-V468 HydrophobicContact CG2-CG2 4.31Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 3.24Å; R465-V468 PolarHBondContact O-N 3.02Å; V468-V470 PolarHBondContact O-N 3.1Å; V468-G472 WeakPolarHBondContact O-CA 3.36Å; V468-G472 PolarHBondContact O-N 2.86Å; V468-I476 HydrophobicContact CB-CD1 4.19Å; V468-I476 HydrophobicContact CG2-CD1 3.5Å; V468-I476 VanDerWaalsContact CG2-CD1 3.5Å
469	D	50.9	Low	55.7	Low	120 Å²	120	53.2 Å²	53.2	64%	0.642	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-23.1	178.2	-73.7	-24	0	0	0	111.8	R465	R465-D469 WeakPolarHBondContact CG-OD2 3.45Å; R465-D469 IonicContact NE-OD2 3.91Å; R465-D469 WeakPolarHBondContact O-CB 3.3Å; R465-D469 PolarHBondContact O-N 3.01Å
470	V	39.6	Very low	56.3	Low	114 Å²	114	52.5 Å²	52.5	69%	0.691	31%	0.309	S	S	*	.	H	α-helix	trans	-93.8	-45.6	178.6	169.6	0	0	0	0	113.6	T466 T467 V468	T466-V470 WeakPolarHBondContact O-CB 3.33Å; T466-V470 VanDerWaalsContact O-CG2 3.26Å; T466-V470 WeakPolarHBondContact O-CG2 3.5Å; T466-V470 PolarHBondContact O-N 3.3Å; T467-V470 PolarHBondContact O-N 2.93Å; V468-V470 PolarHBondContact O-N 3.1Å
471	L	49.1	Very low	57.1	Low	74 Å²	74	48.3 Å²	48.3	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-99.3	-28	-173	-62.9	-179.1	0	0	0	113.6	T467 S475 I476	T467-L471 HydrophobicContact CG2-CD1 3.82Å; T467-L471 HydrophobicContact CG2-CG 4.43Å; T467-L471 WeakPolarHBondContact O-CB 3.39Å; T467-L471 PolarHBondContact O-N 3.01Å; L471-S475 WeakPolarHBondContact O-CB 3.48Å; L471-S475 PolarHBondContact O-OG 3.26Å; L471-I476 HydrophobicContact CB-CG1 4.03Å; L471-I476 HydrophobicContact CD1-CG1 4.23Å
472	G	55	Low	57.7	Low	22 Å²	22	45.6 Å²	45.6	23%	0.227	27%	0.269	C	S	.	.			trans	76.5	149.2	-168	0	0	0	0	0	113.5	V468 L474 S475 I476	V468-G472 WeakPolarHBondContact O-CA 3.36Å; V468-G472 PolarHBondContact O-N 2.86Å; G472-L474 PolarHBondContact O-N 3.04Å; G472-S475 PolarHBondContact O-N 3.43Å; G472-S475 VanDerWaalsContact O-N 3.14Å; G472-I476 PolarHBondContact O-N 3.29Å
473	C	57.9	Low	58.2	Low	6 Å²	6	42 Å²	42	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-43.9	-172.5	9.4	0	0	0	0	114.2	P359 V452 V456 S475 I476 V477	P359-C473 WeakPolarHBondContact O-CB 3.2Å; V452-C473 HydrophobicContact CG1-CB 3.87Å; V456-C473 HydrophobicContact CG2-CB 3.77Å; C473-S475 VanDerWaalsContact C-N 3.35Å; C473-S475 PolarHBondContact O-N 2.82Å; C473-I476 PolarHBondContact O-N 3Å; C473-V477 WeakPolarHBondContact O-CB 3.48Å; C473-V477 WeakPolarHBondContact O-CG2 3.42Å; C473-V477 PolarHBondContact O-N 3.01Å
474	L	59.2	Low	58.9	Low	35 Å²	35	36.7 Å²	36.7	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-32.8	179.2	-73.1	-172.7	0	0	0	113.2	L271 F305 V358 D360 G472 V477 S478	L271-L474 HydrophobicContact CD2-CD1 3.88Å; L271-L474 HydrophobicContact CD2-CD2 3.79Å; L271-L474 HydrophobicContact CD2-CG 4.43Å; F305-L474 HydrophobicContact CZ-CD1 3.87Å; V358-L474 HydrophobicContact CG2-CD2 4.11Å; D360-L474 WeakPolarHBondContact OD2-CD1 3.1Å; D360-L474 WeakPolarHBondContact OD2-CG 3.46Å; G472-L474 PolarHBondContact O-N 3.04Å; L474-V477 PolarHBondContact O-N 2.85Å; L474-S478 VanDerWaalsContact O-CB 3.24Å; L474-S478 WeakPolarHBondContact O-CB 3.41Å; L474-S478 PolarHBondContact O-N 3.25Å
475	S	61.5	Low	59.4	Low	53 Å²	53	35.9 Å²	35.9	37%	0.371	20%	0.203	S	C	.	.	H	α-helix	trans	-67.6	-44.5	175.7	-49	0	0	0	0	110.8	L471 G472 C473 V477 S478 E479	L471-S475 WeakPolarHBondContact O-CB 3.48Å; L471-S475 PolarHBondContact O-OG 3.26Å; G472-S475 PolarHBondContact O-N 3.43Å; G472-S475 VanDerWaalsContact O-N 3.14Å; C473-S475 VanDerWaalsContact C-N 3.35Å; C473-S475 PolarHBondContact O-N 2.82Å; S475-V477 VanDerWaalsContact C-N 3.31Å; S475-V477 PolarHBondContact O-N 2.94Å; S475-S478 PolarHBondContact O-N 3.2Å; S475-E479 WeakPolarHBondContact O-CG 3.47Å; S475-E479 PolarHBondContact O-N 3.48Å
476	I	60.7	Low	59.8	Low	3 Å²	3	33.1 Å²	33.1	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-46.3	174.2	-70.2	170.3	0	0	0	110.8	W412 V452 T467 V468 L471 G472 C473 L480	W412-I476 HydrophobicContact CH2-CB 4.27Å; W412-I476 HydrophobicContact CH2-CG2 3.36Å; W412-I476 VanDerWaalsContact CH2-O 3.3Å; W412-I476 WeakPolarHBondContact CH2-O 3.42Å; W412-I476 HydrophobicContact CZ2-CB 4.49Å; W412-I476 HydrophobicContact CZ2-CG2 4.02Å; W412-I476 WeakPolarHBondContact CZ2-O 3.42Å; W412-I476 HydrophobicContact CZ3-CG2 3.69Å; V452-I476 HydrophobicContact CG2-CG2 3.92Å; T467-I476 HydrophobicContact CG2-CD1 4.04Å; T467-I476 HydrophobicContact CG2-CG1 4.24Å; V468-I476 HydrophobicContact CB-CD1 4.19Å; V468-I476 HydrophobicContact CG2-CD1 3.5Å; V468-I476 VanDerWaalsContact CG2-CD1 3.5Å; L471-I476 HydrophobicContact CB-CG1 4.03Å; L471-I476 HydrophobicContact CD1-CG1 4.23Å; G472-I476 PolarHBondContact O-N 3.29Å; C473-I476 PolarHBondContact O-N 3Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 PolarHBondContact O-N 3.37Å; I476-L480 VanDerWaalsContact O-N 3.08Å
477	V	65	Low	60.3	Low	8 Å²	8	28.9 Å²	28.9	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-40.1	177.1	168.3	0	0	0	0	111.7	V449 C473 L474 S475 L480 F481	V449-V477 HydrophobicContact CG2-CG2 4.49Å; C473-V477 WeakPolarHBondContact O-CB 3.48Å; C473-V477 WeakPolarHBondContact O-CG2 3.42Å; C473-V477 PolarHBondContact O-N 3.01Å; L474-V477 PolarHBondContact O-N 2.85Å; S475-V477 VanDerWaalsContact C-N 3.31Å; S475-V477 PolarHBondContact O-N 2.94Å; V477-L480 PolarHBondContact O-N 3.13Å; V477-F481 HydrophobicContact CG1-CD2 4.16Å; V477-F481 HydrophobicContact CG1-CE1 4.04Å; V477-F481 HydrophobicContact CG1-CE2 3.33Å; V477-F481 HydrophobicContact CG1-CZ 3.27Å; V477-F481 WeakPolarHBondContact O-CD1 3.44Å; V477-F481 WeakPolarHBondContact O-CD2 3.45Å; V477-F481 WeakPolarHBondContact O-CG 3.41Å; V477-F481 PolarHBondContact O-N 2.9Å
478	S	65.3	Low	61	Low	10 Å²	10	27.5 Å²	27.5	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-40.5	177.7	-174.2	0	0	0	0	113.1	Q303 L474 S475 F481 A482	Q303-S478 PolarHBondContact NE2-OG 2.88Å; Q303-S478 PolarHBondContact OE1-OG 3.26Å; L474-S478 VanDerWaalsContact O-CB 3.24Å; L474-S478 WeakPolarHBondContact O-CB 3.41Å; L474-S478 PolarHBondContact O-N 3.25Å; S475-S478 PolarHBondContact O-N 3.2Å; S478-F481 PolarHBondContact O-N 3.35Å; S478-A482 PolarHBondContact O-N 3.09Å; S478-A482 VanDerWaalsContact O-N 3.09Å
479	E	66.8	Low	61.5	Low	55 Å²	55	27.2 Å²	27.2	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-65.9	-41.1	174.3	-70.1	-66.1	149.3	0	0	110.9	W412 S475 F481 A482 V483	W412-E479 HydrophobicContact CZ2-CB 4.07Å; S475-E479 WeakPolarHBondContact O-CG 3.47Å; S475-E479 PolarHBondContact O-N 3.48Å; E479-F481 PolarHBondContact O-N 2.78Å; E479-A482 WeakPolarHBondContact O-CB 3.39Å; E479-A482 PolarHBondContact O-N 2.79Å; E479-A482 VanDerWaalsContact O-N 3.11Å; E479-V483 WeakPolarHBondContact O-CG2 3.29Å; E479-V483 PolarHBondContact O-N 3.44Å; E479-V483 VanDerWaalsContact O-N 3.07Å
480	L	66.2	Low	62.2	Low	4 Å²	4	26.6 Å²	26.6	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-37.1	173	-179.1	63.4	0	0	0	111.8	W412 A448 I476 V477 I484	W412-L480 HydrophobicContact CH2-CB 4.22Å; A448-L480 HydrophobicContact CB-CD2 3.53Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 PolarHBondContact O-N 3.37Å; I476-L480 VanDerWaalsContact O-N 3.08Å; V477-L480 PolarHBondContact O-N 3.13Å; L480-I484 HydrophobicContact CD1-CD1 4.17Å; L480-I484 HydrophobicContact CG-CD1 4.01Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.25Å; L480-I484 PolarHBondContact O-N 2.75Å; L480-I484 VanDerWaalsContact O-N 3.09Å
481	F	69.1	Low	63.3	Low	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-41	174.1	-59.7	-26.3	0	0	0	112.4	I273 L301 V371 L373 M445 V477 S478 E479 V483 I484 V485	I273-F481 HydrophobicContact CD1-CD2 3.76Å; I273-F481 HydrophobicContact CD1-CE2 3.61Å; L301-F481 HydrophobicContact CD1-CB 3.99Å; V371-F481 HydrophobicContact CG1-CE2 3.85Å; V371-F481 HydrophobicContact CG1-CZ 3.93Å; L373-F481 HydrophobicContact CD1-CB 4.34Å; L373-F481 HydrophobicContact CD1-CD2 3.88Å; L373-F481 HydrophobicContact CD1-CE2 4.27Å; L373-F481 HydrophobicContact CD1-CG 4Å; L373-F481 HydrophobicContact CD2-CB 4.44Å; L373-F481 HydrophobicContact CD2-CD1 3.44Å; L373-F481 VanDerWaalsContact CD2-CD1 3.44Å; L373-F481 HydrophobicContact CD2-CD2 4.2Å; L373-F481 HydrophobicContact CD2-CE1 3.57Å; L373-F481 HydrophobicContact CD2-CE2 4.3Å; L373-F481 HydrophobicContact CD2-CG 3.78Å; L373-F481 HydrophobicContact CD2-CZ 3.99Å; M445-F481 HydrophobicContact CE-CD1 4.1Å; M445-F481 HydrophobicContact CE-CE1 4.23Å; M445-F481 HydrophobicContact CG-CE1 4.23Å; M445-F481 HydrophobicContact SD-CD1 4.35Å; M445-F481 HydrophobicContact SD-CE1 3.88Å; V477-F481 HydrophobicContact CG1-CD2 4.16Å; V477-F481 HydrophobicContact CG1-CE1 4.04Å; V477-F481 HydrophobicContact CG1-CE2 3.33Å; V477-F481 HydrophobicContact CG1-CZ 3.27Å; V477-F481 WeakPolarHBondContact O-CD1 3.44Å; V477-F481 WeakPolarHBondContact O-CD2 3.45Å; V477-F481 WeakPolarHBondContact O-CG 3.41Å; V477-F481 PolarHBondContact O-N 2.9Å; S478-F481 PolarHBondContact O-N 3.35Å; E479-F481 PolarHBondContact O-N 2.78Å; F481-V483 VanDerWaalsContact C-N 3.33Å; F481-V483 PolarHBondContact O-N 2.91Å; F481-I484 PolarHBondContact O-N 3.01Å; F481-I484 VanDerWaalsContact O-N 3.09Å; F481-V485 WeakPolarHBondContact O-CG2 3.41Å; F481-V485 PolarHBondContact O-N 2.71Å
482	A	65.6	Low	64	Low	6 Å²	6	21.2 Å²	21.2	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-41.9	175.4	0	0	0	0	0	112.4	V299 S478 E479 V485 T486	V299-A482 HydrophobicContact CB-CB 4.25Å; V299-A482 HydrophobicContact CG1-CB 4.03Å; V299-A482 WeakPolarHBondContact O-CB 3.28Å; S478-A482 PolarHBondContact O-N 3.09Å; S478-A482 VanDerWaalsContact O-N 3.09Å; E479-A482 WeakPolarHBondContact O-CB 3.39Å; E479-A482 PolarHBondContact O-N 2.79Å; E479-A482 VanDerWaalsContact O-N 3.11Å; A482-V485 PolarHBondContact O-N 2.77Å; A482-T486 PolarHBondContact O-N 2.81Å
483	V	66.3	Low	64.3	Low	4 Å²	4	24.8 Å²	24.8	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-49.3	171.4	175.9	0	0	0	0	110.6	V408 F413 L417 E479 F481 V485 T486 V487	V408-V483 HydrophobicContact CG1-CG2 3.81Å; F413-V483 HydrophobicContact CB-CG2 4.09Å; F413-V483 HydrophobicContact CD1-CG1 4.48Å; F413-V483 HydrophobicContact CD1-CG2 3.31Å; F413-V483 HydrophobicContact CD2-CG1 3.73Å; F413-V483 HydrophobicContact CD2-CG2 4.06Å; F413-V483 HydrophobicContact CE1-CG2 3.66Å; F413-V483 HydrophobicContact CE2-CG1 3.87Å; F413-V483 HydrophobicContact CE2-CG2 4.34Å; F413-V483 HydrophobicContact CG-CB 4.41Å; F413-V483 HydrophobicContact CG-CG1 4.08Å; F413-V483 HydrophobicContact CG-CG2 3.57Å; F413-V483 HydrophobicContact CZ-CG1 4.33Å; F413-V483 HydrophobicContact CZ-CG2 4.16Å; L417-V483 HydrophobicContact CD1-CG1 4.27Å; E479-V483 WeakPolarHBondContact O-CG2 3.29Å; E479-V483 PolarHBondContact O-N 3.44Å; E479-V483 VanDerWaalsContact O-N 3.07Å; F481-V483 VanDerWaalsContact C-N 3.33Å; F481-V483 PolarHBondContact O-N 2.91Å; V483-V485 VanDerWaalsContact C-N 3.31Å; V483-V485 PolarHBondContact O-N 3.34Å; V483-T486 WeakPolarHBondContact O-CB 3.23Å; V483-T486 PolarHBondContact O-N 2.86Å; V483-T486 VanDerWaalsContact O-N 3.11Å; V483-V487 WeakPolarHBondContact O-CG2 3.44Å; V483-V487 PolarHBondContact O-N 3.32Å
484	I	66.6	Low	64.7	Low	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-31.5	-176.4	-71.7	169.5	0	0	0	112	L353 M441 M445 L480 F481 T486 V487 I488	L353-I484 HydrophobicContact CD1-CG2 4.26Å; M441-I484 HydrophobicContact CE-CG2 4.17Å; M441-I484 HydrophobicContact CG-CG2 4.22Å; M441-I484 HydrophobicContact SD-CG2 4.01Å; M445-I484 HydrophobicContact CE-CB 4.28Å; M445-I484 HydrophobicContact CE-CD1 3.45Å; M445-I484 VanDerWaalsContact CE-CD1 3.45Å; M445-I484 HydrophobicContact CE-CG1 4.41Å; M445-I484 HydrophobicContact CE-CG2 3.69Å; M445-I484 HydrophobicContact CG-CD1 3.85Å; L480-I484 HydrophobicContact CD1-CD1 4.17Å; L480-I484 HydrophobicContact CG-CD1 4.01Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.25Å; L480-I484 PolarHBondContact O-N 2.75Å; L480-I484 VanDerWaalsContact O-N 3.09Å; F481-I484 PolarHBondContact O-N 3.01Å; F481-I484 VanDerWaalsContact O-N 3.09Å; I484-T486 PolarHBondContact O-N 2.91Å; I484-V487 PolarHBondContact O-N 3.42Å; I484-I488 HydrophobicContact CG2-CD1 3.61Å; I484-I488 HydrophobicContact CG2-CG1 4.13Å; I484-I488 WeakPolarHBondContact O-CB 3.37Å; I484-I488 VanDerWaalsContact O-CG1 3.23Å; I484-I488 WeakPolarHBondContact O-CG1 3.43Å; I484-I488 PolarHBondContact O-N 3.19Å
485	V	66.1	Low	64.8	Low	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-44.6	170.5	178.4	0	0	0	0	112	I275 L286 L301 I403 F481 A482 V483 V487 I488 V489	I275-V485 HydrophobicContact CB-CG2 4.27Å; I275-V485 HydrophobicContact CD1-CG2 3.66Å; I275-V485 HydrophobicContact CG1-CG2 3.65Å; I275-V485 HydrophobicContact CG2-CB 4.45Å; I275-V485 HydrophobicContact CG2-CG1 4.05Å; I275-V485 HydrophobicContact CG2-CG2 3.57Å; L286-V485 HydrophobicContact CD1-CG1 3.83Å; L286-V485 HydrophobicContact CD2-CG1 3.8Å; L286-V485 HydrophobicContact CG-CG1 4.43Å; L301-V485 HydrophobicContact CD1-CG2 4.04Å; L301-V485 HydrophobicContact CD2-CG2 4.12Å; I403-V485 HydrophobicContact CD1-CG1 4.05Å; F481-V485 WeakPolarHBondContact O-CG2 3.41Å; F481-V485 PolarHBondContact O-N 2.71Å; A482-V485 PolarHBondContact O-N 2.77Å; V483-V485 VanDerWaalsContact C-N 3.31Å; V483-V485 PolarHBondContact O-N 3.34Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.9Å; V485-I488 PolarHBondContact O-N 3.44Å; V485-V489 HydrophobicContact CG1-CG2 4.5Å; V485-V489 PolarHBondContact O-N 2.85Å
486	T	64.9	Low	64.9	Low	39 Å²	39	35 Å²	35	24%	0.239	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-43	176.8	-57.5	0	0	0	0	111.3	V408 A482 V483 I484 N490	V408-T486 HydrophobicContact CG2-CG2 4.26Å; A482-T486 PolarHBondContact O-N 2.81Å; V483-T486 WeakPolarHBondContact O-CB 3.23Å; V483-T486 PolarHBondContact O-N 2.86Å; V483-T486 VanDerWaalsContact O-N 3.11Å; I484-T486 PolarHBondContact O-N 2.91Å; T486-N490 PolarHBondContact O-N 2.83Å; T486-N490 PolarHBondContact O-ND2 2.89Å
487	V	65.9	Low	64.8	Low	2 Å²	2	37.3 Å²	37.3	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-47.2	174.9	-169.8	0	0	0	0	111.1	L421 Y424 I425 M441 V483 I484 V485 V489 N490 L491	L421-V487 HydrophobicContact CD1-CG1 3.83Å; L421-V487 HydrophobicContact CG-CG1 4.28Å; Y424-V487 HydrophobicContact CD1-CG1 3.83Å; Y424-V487 HydrophobicContact CE1-CG1 3.69Å; I425-V487 HydrophobicContact CD1-CG2 3.52Å; I425-V487 HydrophobicContact CG1-CG2 3.77Å; M441-V487 HydrophobicContact CE-CB 3.55Å; M441-V487 HydrophobicContact CE-CG1 3.31Å; V483-V487 WeakPolarHBondContact O-CG2 3.44Å; V483-V487 PolarHBondContact O-N 3.32Å; I484-V487 PolarHBondContact O-N 3.42Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.9Å; V487-V489 PolarHBondContact O-N 3.45Å; V487-N490 PolarHBondContact O-N 3.15Å; V487-L491 PolarHBondContact O-N 3.48Å
488	I	65.8	Low	64.1	Low	5 Å²	5	45.8 Å²	45.8	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-41.6	-176.1	-75.6	173.6	0	0	0	112.1	L277 L353 V375 M441 I484 V485 N490 L491 Y492	L277-I488 HydrophobicContact CD1-CG2 4.5Å; L353-I488 HydrophobicContact CD1-CD1 3.39Å; L353-I488 HydrophobicContact CD2-CD1 3.89Å; L353-I488 HydrophobicContact CG-CD1 4.25Å; V375-I488 HydrophobicContact CG1-CG2 4.14Å; V375-I488 HydrophobicContact CG2-CD1 3.93Å; M441-I488 HydrophobicContact CE-CD1 4.4Å; M441-I488 HydrophobicContact CE-CG1 3.56Å; M441-I488 HydrophobicContact SD-CD1 3.92Å; M441-I488 HydrophobicContact SD-CG1 3.59Å; M441-I488 VanDerWaalsContact SD-CG1 3.59Å; I484-I488 HydrophobicContact CG2-CD1 3.61Å; I484-I488 HydrophobicContact CG2-CG1 4.13Å; I484-I488 WeakPolarHBondContact O-CB 3.37Å; I484-I488 VanDerWaalsContact O-CG1 3.23Å; I484-I488 WeakPolarHBondContact O-CG1 3.43Å; I484-I488 PolarHBondContact O-N 3.19Å; V485-I488 PolarHBondContact O-N 3.44Å; I488-N490 VanDerWaalsContact C-N 3.3Å; I488-N490 PolarHBondContact O-N 2.9Å; I488-L491 WeakPolarHBondContact O-CB 3.25Å; I488-L491 PolarHBondContact O-N 3.35Å; I488-L491 VanDerWaalsContact O-N 3.16Å; I488-Y492 HydrophobicContact CG2-CD2 4.21Å; I488-Y492 HydrophobicContact CG2-CE2 3.82Å; I488-Y492 VanDerWaalsContact O-CD2 3.26Å; I488-Y492 WeakPolarHBondContact O-CD2 3.45Å
489	V	64	Low	63	Low	9 Å²	9	49.5 Å²	49.5	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-37.1	178.4	174.3	0	0	0	0	111.5	L277 Y284 I403 V485 V487 L491 Y492	L277-V489 HydrophobicContact CD1-CG2 3.77Å; L277-V489 HydrophobicContact CD2-CG2 3.52Å; L277-V489 HydrophobicContact CG-CG2 4.31Å; Y284-V489 HydrophobicContact CD2-CG1 3.57Å; Y284-V489 HydrophobicContact CE2-CG1 4.4Å; Y284-V489 HydrophobicContact CG-CG1 3.82Å; I403-V489 HydrophobicContact CD1-CB 3.93Å; I403-V489 HydrophobicContact CD1-CG1 4.44Å; I403-V489 HydrophobicContact CD1-CG2 3.58Å; I403-V489 HydrophobicContact CG2-CG1 4.07Å; V485-V489 HydrophobicContact CG1-CG2 4.5Å; V485-V489 PolarHBondContact O-N 2.85Å; V487-V489 PolarHBondContact O-N 3.45Å; V489-L491 PolarHBondContact O-N 2.76Å; V489-Y492 PolarHBondContact O-N 2.71Å
490	N	64.8	Low	61.9	Low	108 Å²	108	49.7 Å²	49.7	58%	0.578	29%	0.29	S	S	*	.	H	α-helix	trans	-66.5	-18.9	176.8	-68.7	-28.3	0	0	0	113.4	Y424 T486 V487 I488	Y424-N490 WeakPolarHBondContact OH-CB 3.2Å; Y424-N490 PolarHBondContact OH-O 2.64Å; Y424-N490 VanDerWaalsContact OH-O 3.05Å; T486-N490 PolarHBondContact O-N 2.83Å; T486-N490 PolarHBondContact O-ND2 2.89Å; V487-N490 PolarHBondContact O-N 3.15Å; I488-N490 VanDerWaalsContact C-N 3.3Å; I488-N490 PolarHBondContact O-N 2.9Å
491	L	63.6	Low	60.7	Low	33 Å²	33	55.1 Å²	55.1	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-78.2	-19.5	171.9	-57.4	172.8	0	0	0	113.5	Y424 A431 T437 M441 V487 I488 V489	Y424-L491 HydrophobicContact CE1-CD2 3.8Å; Y424-L491 HydrophobicContact CE1-CG 4.47Å; Y424-L491 PolarHBondContact OH-N 2.82Å; A431-L491 HydrophobicContact CB-CD2 3.87Å; T437-L491 HydrophobicContact CG2-CD1 3.61Å; T437-L491 HydrophobicContact CG2-CD2 4.04Å; T437-L491 HydrophobicContact CG2-CG 4.4Å; M441-L491 HydrophobicContact CE-CD1 4.2Å; V487-L491 PolarHBondContact O-N 3.48Å; I488-L491 WeakPolarHBondContact O-CB 3.25Å; I488-L491 PolarHBondContact O-N 3.35Å; I488-L491 VanDerWaalsContact O-N 3.16Å; V489-L491 PolarHBondContact O-N 2.76Å
492	Y	64.8	Low	59.4	Low	42 Å²	42	60.9 Å²	60.9	17%	0.165	36%	0.363	C	S	.	.	S	Bend	trans	-94.7	122.6	-179.7	-75.5	-76.3	0	0	0	110.4	M377 K434 I488 V489 R494	M377-Y492 HydrophobicContact CE-CD2 3.68Å; M377-Y492 HydrophobicContact CE-CE2 4.02Å; M377-Y492 HydrophobicContact CE-CG 3.98Å; M377-Y492 HydrophobicContact CG-CE1 4.28Å; K434-Y492 WeakPolarHBondContact CE-OH 3.25Å; K434-Y492 PolarHBondContact NZ-OH 2.83Å; I488-Y492 HydrophobicContact CG2-CD2 4.21Å; I488-Y492 HydrophobicContact CG2-CE2 3.82Å; I488-Y492 VanDerWaalsContact O-CD2 3.26Å; I488-Y492 WeakPolarHBondContact O-CD2 3.45Å; V489-Y492 PolarHBondContact O-N 2.71Å; Y492-R494 PolarHBondContact O-N 2.96Å
493	P	60.7	Low	58.3	Low	97 Å²	97	63.4 Å²	63.4	63%	0.63	39%	0.39	S	S	*	.			trans	-59.6	135.8	173.9	25.2	-32.9	0	0	0	108.8	Y284 K379	Y284-P493 PolarHBondContact OH-O 3.03Å; Y284-P493 VanDerWaalsContact OH-O 3.1Å; K379-P493 PolarHBondContact NZ-O 3.01Å
494	R	65.4	Low	57.4	Low	206 Å²	206	69 Å²	69	78%	0.777	43%	0.426	S	S	*	.			trans	-45.8	147.7	-175.7	-69.6	-173.7	-177.6	-178.8	0.5	111.9	K379 Y492	K379-R494 PolarHBondContact NZ-O 3.31Å; Y492-R494 PolarHBondContact O-N 2.96Å
495	P	62.4	Low	56.7	Low	10 Å²	10	75 Å²	75	7%	0.065	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-58.5	141.3	171	28.1	-33.4	0	0	0	108.6	V283 K379 G497	V283-P495 WeakPolarHBondContact O-CG 3.12Å; K379-P495 HydrophobicContact CG-CB 4.48Å; P495-G497 PolarHBondContact O-N 3.13Å
496	P	62.9	Low	55.9	Low	92 Å²	92	77.9 Å²	77.9	60%	0.597	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-55.3	122	172.6	25	-32.8	0	0	0	107.3	K498	P496-K498 PolarHBondContact O-N 3.4Å; P496-K498 VanDerWaalsContact O-N 3.15Å
497	G	58.6	Low	55.5	Low	51 Å²	51	82.4 Å²	82.4	53%	0.526	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-56	124.2	171.4	0	0	0	0	0	107	P495 A499	P495-G497 PolarHBondContact O-N 3.13Å; G497-A499 PolarHBondContact O-N 3.3Å
498	K	51.3	Low	54.9	Low	186 Å²	186	87.1 Å²	87.1	81%	0.809	56%	0.564	S	S	*	*			trans	-60.5	109.8	163.4	-75.9	-173.5	177.6	-178.9	0	105.2	P496 G500	P496-K498 PolarHBondContact O-N 3.4Å; P496-K498 VanDerWaalsContact O-N 3.15Å; K498-G500 PolarHBondContact O-N 3.11Å
499	A	41.9	Very low	54.5	Low	89 Å²	89	89.7 Å²	89.7	74%	0.736	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-47.2	135.7	152.3	0	0	0	0	0	106.4	G497	G497-A499 PolarHBondContact O-N 3.3Å
500	G	43	Very low	54.5	Low	58 Å²	58	95.2 Å²	95.2	60%	0.598	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-52.6	147.4	175.7	0	0	0	0	0	109.2	K498	K498-G500 PolarHBondContact O-N 3.11Å
501	P	41.6	Very low	54.3	Low	119 Å²	119	96.1 Å²	96.1	77%	0.773	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-51.1	139.3	166.5	26.2	-33.7	0	0	0	107.6	G503	P501-G503 PolarHBondContact O-N 3.26Å
502	P	41.7	Very low	53.9	Low	123 Å²	123	97.7 Å²	97.7	80%	0.799	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-48.2	138.6	173.1	-26.6	34.7	0	0	0	109.3
503	G	42.1	Very low	54	Low	59 Å²	59	101.5 Å²	101.5	61%	0.608	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-50.9	142.2	173.7	0	0	0	0	0	109.4	P501	P501-G503 PolarHBondContact O-N 3.26Å
504	P	48.5	Very low	53.7	Low	121 Å²	121	103 Å²	103	79%	0.786	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-52.7	132.8	-176.2	22.8	-33.6	0	0	0	109	G506	P504-G506 PolarHBondContact O-N 2.85Å
505	P	51.2	Low	52.8	Low	126 Å²	126	96.3 Å²	96.3	82%	0.818	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-56.8	131.4	-177.5	23.6	-33.1	0	0	0	108.9
506	G	49.4	Very low	52	Low	60 Å²	60	101.5 Å²	101.5	62%	0.619	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-54.3	146.9	175.5	0	0	0	0	0	110.2	P504 A508	P504-G506 PolarHBondContact O-N 2.85Å; G506-A508 PolarHBondContact O-N 3.35Å; G506-A508 VanDerWaalsContact O-N 3.1Å
507	P	55.5	Low	51.2	Low	135 Å²	135	102.8 Å²	102.8	88%	0.877	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.4	-174	22.8	-33.6	0	0	0	110.1	G509	P507-G509 PolarHBondContact O-N 3.08Å
508	A	54.1	Low	50.6	Low	100 Å²	100	109.5 Å²	109.5	83%	0.826	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.5	125.9	179.9	0	0	0	0	0	109.4	G506	G506-A508 PolarHBondContact O-N 3.35Å; G506-A508 VanDerWaalsContact O-N 3.1Å
509	G	56.3	Low	50.1	Low	60 Å²	60	105.8 Å²	105.8	62%	0.619	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-59.3	151.2	172	0	0	0	0	0	111	P507	P507-G509 PolarHBondContact O-N 3.08Å
510	P	63.7	Low	50.2	Low	124 Å²	124	107.1 Å²	107.1	81%	0.805	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.6	145.6	-178.9	25.7	-34.5	0	0	0	111.1	G512	P510-G512 PolarHBondContact O-N 3.09Å
511	P	61.1	Low	50.4	Low	128 Å²	128	112.6 Å²	112.6	83%	0.831	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.8	122.8	-177.2	26.4	-34.1	0	0	0	110.8
512	G	55.6	Low	50.1	Low	66 Å²	66	118.3 Å²	118.3	68%	0.68	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-65.4	143.8	171.1	0	0	0	0	0	111.2	P510	P510-G512 PolarHBondContact O-N 3.09Å
513	P	67.2	Low	50.7	Low	122 Å²	122	121.2 Å²	121.2	79%	0.792	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.6	151	179.8	28.9	-35.1	0	0	0	111.7	G515	P513-G515 PolarHBondContact O-N 2.8Å
514	P	54.6	Low	51.1	Low	128 Å²	128	124.4 Å²	124.4	83%	0.831	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.7	125.8	-178.6	29.6	-34.2	0	0	0	112
515	G	46	Very low	51.2	Low	66 Å²	66	124.5 Å²	124.5	68%	0.68	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.8	169.4	148.9	0	0	0	0	0	110.6	P513	P513-G515 PolarHBondContact O-N 2.8Å
516	P	46	Very low	51.2	Low	118 Å²	118	124.4 Å²	124.4	77%	0.766	79%	0.788	S	S	*	*			cis	-138.9	167.3	33.3	41.2	-25.6	0	0	0	116.2
517	S	45	Very low	51.3	Low	120 Å²	120	128.2 Å²	128.2	84%	0.839	80%	0.798	S	S	*	*				-168.6	145.3	127.2	15.3	0	0	0	0	114
518	F	46.1	Very low	51.1	Low	192 Å²	192	127.8 Å²	127.8	84%	0.842	79%	0.793	S	S	*	*			trans	-52.2	176.2	171.2	-63.5	-87.8	0	0	0	116.8
519	P	41.9	Very low	50.9	Low	108 Å²	108	129.7 Å²	129.7	70%	0.701	79%	0.791	S	S	*	*			cis	-134.1	-166.6	-14.4	26.2	-2	0	0	0	114.4
520	D	43.1	Very low	50.5	Low	117 Å²	117	134.6 Å²	134.6	63%	0.626	80%	0.804	S	S	*	*			trans	88.8	113.5	142.3	-95.4	-8.1	0	0	0	122.1
521	K	47.2	Very low	49.5	Very low	173 Å²	173	135.5 Å²	135.5	75%	0.752	80%	0.803	S	S	*	*			trans	71.8	124.3	136	-66.8	162.1	-172	143.4	0	121.3
522	W	34.8	Very low	48.5	Very low	238 Å²	238	136.1 Å²	136.1	90%	0.902	80%	0.801	S	S	*	*			trans	-78.9	161.3	160.9	-73.8	43	0	0	0	111.7
523	P	54.6	Low	47.9	Very low	185 Å²	185	142.5 Å²	142.5	100%	1.201	81%	0.812	S	S	*	*			trans	-79.4	0	132.7	34.6	-26.4	0	0	0	111.7

Retrieved 523 of 523 residues in 415.8 ms (Link to these results)

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