A0A096NC74_PAPAN Loading...

cGMP-dependent protein kinase

AlphaFold DB (G7MSY8), UniProt , Accession A0A096NC74, Species PAPAN (Papio anubis, Olive baboon), Gene PRKG2, Length 762 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	34.1	Very low	250 Å²	250	151.9 Å²	151.9	100%	1.232	87%	0.874	S	S	*	*				0	112.1	0	-55.7	-178.3	-168.6	0	0	105.1
2	G	38.7	Very low	34.5	Very low	67 Å²	67	153.5 Å²	153.5	69%	0.691	86%	0.863	S	S	*	*			cis	122.9	117.7	37.3	0	0	0	0	0	106.1
3	N	31.9	Very low	34.6	Very low	175 Å²	175	152.8 Å²	152.8	94%	0.936	85%	0.848	S	S	*	*			trans	76.7	132.8	173.4	-53.8	-15.2	0	0	0	116.1
4	G	31.3	Very low	35.5	Very low	73 Å²	73	149.6 Å²	149.6	75%	0.753	84%	0.837	S	S	*	*			cis	123.2	96	17.5	0	0	0	0	0	109.9
5	S	31.2	Very low	35.5	Very low	126 Å²	126	150.2 Å²	150.2	88%	0.881	84%	0.838	S	S	*	*			trans	32.1	129.2	155.3	-67.9	0	0	0	0	122.6
6	V	33.6	Very low	35.6	Very low	152 Å²	152	145 Å²	145	92%	0.921	83%	0.829	S	S	*	*			trans	-123.3	139.2	149.6	178.1	0	0	0	0	109.8
7	K	31	Very low	35.6	Very low	193 Å²	193	148.2 Å²	148.2	84%	0.839	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.6	162.9	-159.7	-72.5	173.3	171.9	175.9	0	117.3
8	P	37.5	Very low	36.1	Very low	123 Å²	123	146.8 Å²	146.8	80%	0.799	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-85.3	159.8	167.8	36	-32.5	0	0	0	112.9
9	K	32.2	Very low	36.5	Very low	214 Å²	214	142.7 Å²	142.7	93%	0.93	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.4	131.4	174.1	-92.8	-179.5	173.9	177.5	0	111.8
10	H	40.2	Very low	37.1	Very low	193 Å²	193	143.3 Å²	143.3	89%	0.894	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.2	156.8	170.5	-91.3	-62.1	0	0	0	114.5
11	S	32.8	Very low	37.9	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	82%	0.822	S	S	*	*			trans	-168.1	142.7	130.9	64.1	0	0	0	0	109.5
12	K	38.3	Very low	39.3	Very low	171 Å²	171	135.1 Å²	135.1	74%	0.743	79%	0.79	S	S	*	*			cis	-176.5	150.5	-4.2	-119.2	176.3	168.6	-160	0	108.9
13	H	35.5	Very low	40.5	Very low	145 Å²	145	137 Å²	137	67%	0.671	79%	0.788	S	S	*	*			trans	72.6	155.4	150.3	-67.6	-53.8	0	0	0	121.7
14	P	47.8	Very low	42.2	Very low	107 Å²	107	133.2 Å²	133.2	70%	0.695	77%	0.768	S	S	*	*			cis	-132	162.7	-16.5	25.8	-3.5	0	0	0	115.7
15	D	35.8	Very low	43.9	Very low	159 Å²	159	131.5 Å²	131.5	85%	0.85	75%	0.746	S	S	*	*			trans	12.5	136.5	147.7	-47	-33.2	0	0	0	119.1
16	G	36.3	Very low	45.8	Very low	67 Å²	67	130.5 Å²	130.5	69%	0.691	73%	0.731	S	S	*	*			cis	158.9	117.8	7.1	0	0	0	0	0	107.5
17	H	36.9	Very low	47.7	Very low	200 Å²	200	131.4 Å²	131.4	93%	0.926	72%	0.717	S	S	*	*			trans	-162.8	103.8	153.5	-98.1	-44.9	0	0	0	108.7	G19	H17-G19 PolarHBondContact O-N 3.02Å; H17-G19 VanDerWaalsContact O-N 3.17Å
18	S	44.2	Very low	49.9	Very low	122 Å²	122	127.4 Å²	127.4	85%	0.853	71%	0.705	S	S	*	*			trans	-72	95.7	169.2	38.3	0	0	0	0	110
19	G	42.7	Very low	51.9	Low	69 Å²	69	126.8 Å²	126.8	71%	0.711	69%	0.69	S	S	*	*			trans	-87.7	100.3	161.1	0	0	0	0	0	109.7	H17 L21	H17-G19 PolarHBondContact O-N 3.02Å; H17-G19 VanDerWaalsContact O-N 3.17Å; G19-L21 PolarHBondContact O-N 3.1Å; G19-L21 VanDerWaalsContact O-N 3.1Å
20	N	48.6	Very low	54.3	Low	155 Å²	155	120.2 Å²	120.2	83%	0.829	67%	0.668	S	S	*	*			trans	-57.9	109.8	167.7	-84	-22.6	0	0	0	109.2	T22	N20-T22 PolarHBondContact O-N 3.17Å; N20-T22 VanDerWaalsContact O-N 3.17Å
21	L	55.1	Low	56.4	Low	132 Å²	132	114 Å²	114	69%	0.691	64%	0.644	S	S	*	*			trans	-64.6	112.9	168	-84.9	154.3	0	0	0	107.9	G19 A25	G19-L21 PolarHBondContact O-N 3.1Å; G19-L21 VanDerWaalsContact O-N 3.1Å; L21-A25 HydrophobicContact CD2-CB 3.77Å
22	T	64.3	Low	59	Low	89 Å²	89	113.8 Å²	113.8	55%	0.546	63%	0.631	S	S	.	*			trans	-61.3	149.7	177.2	48.1	0	0	0	0	110.2	N20 D24 A25 L26	N20-T22 PolarHBondContact O-N 3.17Å; N20-T22 VanDerWaalsContact O-N 3.17Å; T22-D24 PolarHBondContact O-N 3.17Å; T22-A25 WeakPolarHBondContact O-CB 3.4Å; T22-A25 PolarHBondContact O-N 3.37Å; T22-L26 PolarHBondContact O-N 3.05Å
23	T	64.4	Low	61.2	Low	108 Å²	108	110.3 Å²	110.3	66%	0.663	62%	0.62	S	S	*	*	H	α-helix	trans	-51	-28.7	176.8	32.2	0	0	0	0	113	R27	T23-R27 WeakPolarHBondContact O-CB 3.4Å; T23-R27 PolarHBondContact O-N 3.43Å
24	D	65.9	Low	63.7	Low	95 Å²	95	107.7 Å²	107.7	51%	0.508	61%	0.608	S	S	.	*	H	α-helix	trans	-71.5	-34.4	175.9	-64.8	-32.7	0	0	0	113.3	T22 R27 N28	T22-D24 PolarHBondContact O-N 3.17Å; D24-R27 PolarHBondContact O-N 3.34Å; D24-N28 WeakPolarHBondContact O-CB 3.43Å; D24-N28 PolarHBondContact O-N 2.89Å; D24-N28 PolarHBondContact O-ND2 3.34Å
25	A	67.3	Low	65.6	Low	36 Å²	36	111 Å²	111	30%	0.298	61%	0.607	S	S	.	*	H	α-helix	trans	-67.5	-39.1	176.2	0	0	0	0	0	111.8	L21 T22 K29	L21-A25 HydrophobicContact CD2-CB 3.77Å; T22-A25 WeakPolarHBondContact O-CB 3.4Å; T22-A25 PolarHBondContact O-N 3.37Å; A25-K29 PolarHBondContact O-N 2.92Å; A25-K29 VanDerWaalsContact O-N 3.09Å
26	L	70.9	Confident	68.1	Low	105 Å²	105	108 Å²	108	55%	0.55	59%	0.587	S	S	.	*	H	α-helix	trans	-67.2	-42.5	173.3	-76.8	166.1	0	0	0	111.6	T22 N28 K29 V30	T22-L26 PolarHBondContact O-N 3.05Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-N28 PolarHBondContact O-N 3.09Å; L26-K29 PolarHBondContact O-N 2.98Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.09Å
27	R	73.9	Confident	70.4	Confident	171 Å²	171	110 Å²	110	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-61.9	-42.5	177.8	-160	179.6	-72.9	-179.9	-2.7	111.3	T23 D24 K29 V30 T31	T23-R27 WeakPolarHBondContact O-CB 3.4Å; T23-R27 PolarHBondContact O-N 3.43Å; D24-R27 PolarHBondContact O-N 3.34Å; R27-K29 PolarHBondContact O-N 3.47Å; R27-V30 PolarHBondContact O-N 3.36Å; R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 VanDerWaalsContact O-N 3.09Å; R27-T31 PolarHBondContact O-OG1 2.96Å
28	N	78.5	Confident	72.9	Confident	109 Å²	109	108 Å²	108	58%	0.583	57%	0.566	S	S	*	*	H	α-helix	trans	-61.6	-41.4	174.5	-73.7	-19.4	0	0	0	112.3	D24 L26 T31 E32	D24-N28 WeakPolarHBondContact O-CB 3.43Å; D24-N28 PolarHBondContact O-N 2.89Å; D24-N28 PolarHBondContact O-ND2 3.34Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-N28 PolarHBondContact O-N 3.09Å; N28-T31 VanDerWaalsContact CA-OG1 3.29Å; N28-T31 WeakPolarHBondContact CA-OG1 3.29Å; N28-T31 PolarHBondContact O-N 2.79Å; N28-T31 PolarHBondContact O-OG1 2.76Å; N28-E32 PolarHBondContact O-N 3.33Å
29	K	78.6	Confident	75.2	Confident	110 Å²	110	109 Å²	109	48%	0.478	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-37.5	178.4	-159.1	73.1	-168.8	161.3	0	112.7	A25 L26 R27 E32 L33	A25-K29 PolarHBondContact O-N 2.92Å; A25-K29 VanDerWaalsContact O-N 3.09Å; L26-K29 PolarHBondContact O-N 2.98Å; R27-K29 PolarHBondContact O-N 3.47Å; K29-E32 IonicContact NZ-OE2 3.79Å; K29-E32 PolarHBondContact NZ-OE2 2.98Å; K29-E32 PolarHBondContact O-N 2.98Å; K29-L33 WeakPolarHBondContact O-CG 3.41Å; K29-L33 PolarHBondContact O-N 3.19Å
30	V	83.3	Confident	77.3	Confident	76 Å²	76	111 Å²	111	46%	0.461	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-47.3	173.8	172.6	0	0	0	0	110.5	L26 R27 E32 L33 E34	L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.09Å; R27-V30 PolarHBondContact O-N 3.36Å; V30-E32 VanDerWaalsContact C-N 3.27Å; V30-E32 PolarHBondContact O-N 3.31Å; V30-L33 PolarHBondContact O-N 3.13Å; V30-E34 HydrophobicContact CG1-CG 4.36Å; V30-E34 WeakPolarHBondContact O-CG 3.39Å; V30-E34 PolarHBondContact O-N 3.44Å
31	T	84.3	Confident	79.2	Confident	64 Å²	64	107.3 Å²	107.3	39%	0.393	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-32.7	175.8	30.6	0	0	0	0	113.6	R27 N28 R35	R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 VanDerWaalsContact O-N 3.09Å; R27-T31 PolarHBondContact O-OG1 2.96Å; N28-T31 VanDerWaalsContact CA-OG1 3.29Å; N28-T31 WeakPolarHBondContact CA-OG1 3.29Å; N28-T31 PolarHBondContact O-N 2.79Å; N28-T31 PolarHBondContact O-OG1 2.76Å; T31-R35 WeakPolarHBondContact O-CB 3.37Å; T31-R35 PolarHBondContact O-N 3.22Å; T31-R35 VanDerWaalsContact O-N 3.13Å
32	E	87	Confident	80.9	Confident	99 Å²	99	103.6 Å²	103.6	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-47.3	174.8	-171	178	-158.5	0	0	111.2	N28 K29 V30 E34 R35 E36	N28-E32 PolarHBondContact O-N 3.33Å; K29-E32 IonicContact NZ-OE2 3.79Å; K29-E32 PolarHBondContact NZ-OE2 2.98Å; K29-E32 PolarHBondContact O-N 2.98Å; V30-E32 VanDerWaalsContact C-N 3.27Å; V30-E32 PolarHBondContact O-N 3.31Å; E32-E34 PolarHBondContact O-N 2.88Å; E32-R35 WeakPolarHBondContact O-CB 3.48Å; E32-R35 PolarHBondContact O-N 3.12Å; E32-E36 PolarHBondContact O-N 3.39Å
33	L	84.1	Confident	82.1	Confident	98 Å²	98	102.7 Å²	102.7	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-38.9	177.4	-72.1	170.7	0	0	0	112.5	K29 V30 R35 E36 L37	K29-L33 WeakPolarHBondContact O-CG 3.41Å; K29-L33 PolarHBondContact O-N 3.19Å; V30-L33 PolarHBondContact O-N 3.13Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.19Å; L33-E36 PolarHBondContact O-N 2.92Å; L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 PolarHBondContact O-N 3.18Å
34	E	87	Confident	83.1	Confident	91 Å²	91	101.5 Å²	101.5	43%	0.425	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-32.7	174.6	-73.2	178.3	176.6	0	0	112.4	V30 E32 R38	V30-E34 HydrophobicContact CG1-CG 4.36Å; V30-E34 WeakPolarHBondContact O-CG 3.39Å; V30-E34 PolarHBondContact O-N 3.44Å; E32-E34 PolarHBondContact O-N 2.88Å; E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 PolarHBondContact O-NE 3.4Å; E34-R38 VanDerWaalsContact O-NE 3.12Å; E34-R38 IonicContact OE2-NH2 3.75Å
35	R	88.3	Confident	84.2	Confident	177 Å²	177	103.6 Å²	103.6	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-70.3	-40.3	173.5	-170	-176.9	-67.7	144.1	-1.5	110.7	T31 E32 L33 R39	T31-R35 WeakPolarHBondContact O-CB 3.37Å; T31-R35 PolarHBondContact O-N 3.22Å; T31-R35 VanDerWaalsContact O-N 3.13Å; E32-R35 WeakPolarHBondContact O-CB 3.48Å; E32-R35 PolarHBondContact O-N 3.12Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.19Å; R35-R39 PolarHBondContact O-N 2.84Å; R35-R39 VanDerWaalsContact O-N 3.11Å
36	E	89.3	Confident	85.4	Confident	94 Å²	94	107.9 Å²	107.9	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-68.3	-39.2	178.5	-153	-179	179.4	0	0	112.2	E32 L33 R39 K40	E32-E36 PolarHBondContact O-N 3.39Å; L33-E36 PolarHBondContact O-N 2.92Å; E36-R39 WeakPolarHBondContact O-CB 3.4Å; E36-R39 PolarHBondContact O-N 3.43Å; E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 3.34Å
37	L	84.7	Confident	86.1	Confident	109 Å²	109	110.7 Å²	110.7	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-48.6	174.6	-172.1	67.6	0	0	0	111.1	L33 R39 K40 D41	L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 PolarHBondContact O-N 3.18Å; L37-R39 VanDerWaalsContact C-N 3.25Å; L37-R39 PolarHBondContact O-N 2.96Å; L37-K40 PolarHBondContact O-N 2.89Å; L37-D41 PolarHBondContact O-N 2.99Å
38	R	89.4	Confident	86.8	Confident	158 Å²	158	108.4 Å²	108.4	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-57.8	-37	175.3	-79.4	-178.6	-80.3	-128.8	-2.9	112.9	E34 A42	E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 PolarHBondContact O-NE 3.4Å; E34-R38 VanDerWaalsContact O-NE 3.12Å; E34-R38 IonicContact OE2-NH2 3.75Å; R38-A42 PolarHBondContact O-N 2.82Å
39	R	91	Very high	87.3	Confident	143 Å²	143	110.6 Å²	110.6	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-43.8	175.3	-166.9	-174.4	72.6	172.1	-4.5	111.5	R35 E36 L37 A42 E43	R35-R39 PolarHBondContact O-N 2.84Å; R35-R39 VanDerWaalsContact O-N 3.11Å; E36-R39 WeakPolarHBondContact O-CB 3.4Å; E36-R39 PolarHBondContact O-N 3.43Å; L37-R39 VanDerWaalsContact C-N 3.25Å; L37-R39 PolarHBondContact O-N 2.96Å; R39-A42 PolarHBondContact O-N 3.24Å; R39-E43 IonicContact NE-OE1 3.71Å; R39-E43 PolarHBondContact O-N 3.11Å
40	K	86.9	Confident	87.8	Confident	112 Å²	112	108.8 Å²	108.8	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-66	-38.3	178.4	-70.5	-121.7	178.6	178.1	0	112.4	E36 L37 A42 E43 I44	E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 3.34Å; L37-K40 PolarHBondContact O-N 2.89Å; K40-A42 VanDerWaalsContact C-N 3.32Å; K40-A42 PolarHBondContact O-N 3.26Å; K40-E43 PolarHBondContact O-N 3.24Å; K40-I44 VanDerWaalsContact O-CG1 3.31Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 3.18Å
41	D	88.8	Confident	87.9	Confident	78 Å²	78	110 Å²	110	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-39.3	176	-69.8	-26.1	0	0	0	111.4	L37 I44 Q45	L37-D41 PolarHBondContact O-N 2.99Å; D41-I44 PolarHBondContact O-N 3.06Å; D41-Q45 PolarHBondContact O-N 2.82Å
42	A	90.1	Very high	88.1	Confident	54 Å²	54	114 Å²	114	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-43.2	173.4	0	0	0	0	0	112.4	R38 R39 K40 I44 Q45 E46	R38-A42 PolarHBondContact O-N 2.82Å; R39-A42 PolarHBondContact O-N 3.24Å; K40-A42 VanDerWaalsContact C-N 3.32Å; K40-A42 PolarHBondContact O-N 3.26Å; A42-I44 VanDerWaalsContact C-N 3.29Å; A42-I44 PolarHBondContact O-N 3.14Å; A42-Q45 PolarHBondContact O-N 3.11Å; A42-E46 PolarHBondContact O-N 2.88Å
43	E	89.7	Confident	88.2	Confident	69 Å²	69	113.5 Å²	113.5	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-35.5	174.9	-76.5	176.4	-160.8	0	0	112.5	R39 K40 R47	R39-E43 IonicContact NE-OE1 3.71Å; R39-E43 PolarHBondContact O-N 3.11Å; K40-E43 PolarHBondContact O-N 3.24Å; E43-R47 VanDerWaalsContact O-CG 3.3Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.5Å; E43-R47 VanDerWaalsContact O-N 3.11Å
44	I	86.9	Confident	88.2	Confident	83 Å²	83	114 Å²	114	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-68.3	-46.8	176.5	-71.1	167.3	0	0	0	110.2	K40 D41 A42 E46 R47 E48	K40-I44 VanDerWaalsContact O-CG1 3.31Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 3.18Å; D41-I44 PolarHBondContact O-N 3.06Å; A42-I44 VanDerWaalsContact C-N 3.29Å; A42-I44 PolarHBondContact O-N 3.14Å; I44-E46 VanDerWaalsContact C-N 3.3Å; I44-E46 PolarHBondContact O-N 2.62Å; I44-R47 PolarHBondContact O-N 2.84Å; I44-R47 VanDerWaalsContact O-N 3.16Å; I44-E48 HydrophobicContact CG2-CG 4.34Å; I44-E48 WeakPolarHBondContact O-CG 3.45Å; I44-E48 PolarHBondContact O-N 2.78Å
45	Q	89.1	Confident	88.1	Confident	139 Å²	139	118.3 Å²	118.3	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-59.5	-41	177.5	-78.1	-175.8	-10.6	0	0	112.3	D41 A42 E48 Y49	D41-Q45 PolarHBondContact O-N 2.82Å; A42-Q45 PolarHBondContact O-N 3.11Å; Q45-E48 PolarHBondContact O-N 3.42Å; Q45-Y49 PolarHBondContact O-N 3.01Å
46	E	91.2	Very high	88.1	Confident	127 Å²	127	114.9 Å²	114.9	59%	0.593	52%	0.524	S	S	*	.	H	α-helix	trans	-64	-41.7	176.3	-170.4	179.7	-176.6	0	0	111.8	A42 I44 Y49 N50	A42-E46 PolarHBondContact O-N 2.88Å; I44-E46 VanDerWaalsContact C-N 3.3Å; I44-E46 PolarHBondContact O-N 2.62Å; E46-Y49 PolarHBondContact O-N 2.75Å; E46-N50 PolarHBondContact O-N 3.46Å; E46-N50 PolarHBondContact O-ND2 2.92Å
47	R	86.9	Confident	88	Confident	164 Å²	164	115.2 Å²	115.2	62%	0.619	53%	0.525	S	S	*	.	H	α-helix	trans	-67	-37.5	175.8	-74.2	176.9	-175.7	176.3	6.3	112.9	E43 I44 Y49 N50 L51	E43-R47 VanDerWaalsContact O-CG 3.3Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.5Å; E43-R47 VanDerWaalsContact O-N 3.11Å; I44-R47 PolarHBondContact O-N 2.84Å; I44-R47 VanDerWaalsContact O-N 3.16Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; R47-N50 PolarHBondContact O-N 2.99Å; R47-L51 WeakPolarHBondContact O-CB 3.28Å; R47-L51 PolarHBondContact O-N 2.9Å
48	E	87.2	Confident	87.8	Confident	122 Å²	122	115 Å²	115	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-65	-39.6	175.4	-75.2	-177.3	164	0	0	111.6	I44 Q45 L51 K52	I44-E48 HydrophobicContact CG2-CG 4.34Å; I44-E48 WeakPolarHBondContact O-CG 3.45Å; I44-E48 PolarHBondContact O-N 2.78Å; Q45-E48 PolarHBondContact O-N 3.42Å; E48-L51 PolarHBondContact O-N 3.14Å; E48-K52 PolarHBondContact O-N 2.82Å
49	Y	90.2	Very high	87.7	Confident	155 Å²	155	110.9 Å²	110.9	61%	0.608	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-49.1	173.4	-174	-92.8	0	0	0	111.6	Q45 E46 R47 L51 K52 E53	Q45-Y49 PolarHBondContact O-N 3.01Å; E46-Y49 PolarHBondContact O-N 2.75Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; Y49-L51 VanDerWaalsContact C-N 3.31Å; Y49-L51 PolarHBondContact O-N 2.71Å; Y49-K52 WeakPolarHBondContact O-CB 3.49Å; Y49-K52 PolarHBondContact O-N 3.15Å; Y49-K52 VanDerWaalsContact O-N 3.08Å; Y49-E53 PolarHBondContact O-N 3.48Å
50	N	89.2	Confident	87.5	Confident	72 Å²	72	110.3 Å²	110.3	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-39.3	177.3	-73	-23.4	0	0	0	112.3	E46 R47 K52 E53 L54	E46-N50 PolarHBondContact O-N 3.46Å; E46-N50 PolarHBondContact O-ND2 2.92Å; R47-N50 PolarHBondContact O-N 2.99Å; N50-K52 VanDerWaalsContact C-N 3.32Å; N50-K52 PolarHBondContact O-N 3.43Å; N50-E53 PolarHBondContact O-N 3.49Å; N50-L54 WeakPolarHBondContact O-CD1 3.42Å; N50-L54 PolarHBondContact O-N 3.43Å
51	L	84.2	Confident	87.4	Confident	101 Å²	101	110.8 Å²	110.8	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-37.4	174.9	-90.1	165.5	0	0	0	112.5	R47 E48 Y49 R55	R47-L51 WeakPolarHBondContact O-CB 3.28Å; R47-L51 PolarHBondContact O-N 2.9Å; E48-L51 PolarHBondContact O-N 3.14Å; Y49-L51 VanDerWaalsContact C-N 3.31Å; Y49-L51 PolarHBondContact O-N 2.71Å; L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.3Å; L51-R55 WeakPolarHBondContact O-CG 3.45Å; L51-R55 PolarHBondContact O-N 2.8Å
52	K	87.9	Confident	87.1	Confident	148 Å²	148	111 Å²	111	64%	0.643	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-43.7	176.2	-169	179.9	177.9	-175.4	0	110.9	E48 Y49 N50 R55 E56	E48-K52 PolarHBondContact O-N 2.82Å; Y49-K52 WeakPolarHBondContact O-CB 3.49Å; Y49-K52 PolarHBondContact O-N 3.15Å; Y49-K52 VanDerWaalsContact O-N 3.08Å; N50-K52 VanDerWaalsContact C-N 3.32Å; N50-K52 PolarHBondContact O-N 3.43Å; K52-R55 PolarHBondContact O-N 2.92Å; K52-E56 PolarHBondContact O-N 2.69Å
53	E	89.2	Confident	86.9	Confident	89 Å²	89	112.1 Å²	112.1	42%	0.416	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-45.2	177.4	-167.5	177.9	178.5	0	0	112.1	Y49 N50 R55 E56 Q57	Y49-E53 PolarHBondContact O-N 3.48Å; N50-E53 PolarHBondContact O-N 3.49Å; E53-R55 VanDerWaalsContact C-N 3.31Å; E53-R55 PolarHBondContact O-N 2.72Å; E53-E56 PolarHBondContact O-N 2.92Å; E53-E56 VanDerWaalsContact O-N 3.17Å; E53-Q57 WeakPolarHBondContact O-CG 3.2Å; E53-Q57 PolarHBondContact O-N 2.64Å
54	L	85.3	Confident	86.7	Confident	108 Å²	108	110.8 Å²	110.8	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-61.7	-38.3	175.8	-95.9	80.7	0	0	0	112.4	N50 E56 Q57 L58	N50-L54 WeakPolarHBondContact O-CD1 3.42Å; N50-L54 PolarHBondContact O-N 3.43Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-Q57 PolarHBondContact O-N 3.04Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 2.86Å
55	R	85.4	Confident	86.5	Confident	183 Å²	183	111.9 Å²	111.9	69%	0.691	54%	0.537	S	S	*	.	H	α-helix	trans	-64.3	-39.1	175.7	-79.8	175.8	176	175.4	0.2	111.8	L51 K52 E53 L58 S59	L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.3Å; L51-R55 WeakPolarHBondContact O-CG 3.45Å; L51-R55 PolarHBondContact O-N 2.8Å; K52-R55 PolarHBondContact O-N 2.92Å; E53-R55 VanDerWaalsContact C-N 3.31Å; E53-R55 PolarHBondContact O-N 2.72Å; R55-L58 PolarHBondContact O-N 2.86Å; R55-S59 WeakPolarHBondContact O-CB 3.47Å; R55-S59 PolarHBondContact O-N 3Å
56	E	87.7	Confident	86	Confident	104 Å²	104	108.1 Å²	108.1	49%	0.486	53%	0.53	S	S	.	.	H	α-helix	trans	-68.6	-40.9	177.4	-158.8	-177.4	143.3	0	0	111.6	K52 E53 L54 S59 K60	K52-E56 PolarHBondContact O-N 2.69Å; E53-E56 PolarHBondContact O-N 2.92Å; E53-E56 VanDerWaalsContact O-N 3.17Å; L54-E56 VanDerWaalsContact C-N 3.33Å; E56-S59 PolarHBondContact O-N 2.73Å; E56-K60 WeakPolarHBondContact O-CG 3.45Å; E56-K60 PolarHBondContact O-N 3.31Å; E56-K60 IonicContact OE1-NZ 3.5Å; E56-K60 PolarHBondContact OE1-NZ 3.26Å
57	Q	87.1	Confident	85.8	Confident	101 Å²	101	108.1 Å²	108.1	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-43.2	172.7	-72	-179.2	-4.3	0	0	112.2	E53 L54 S59 K60 Q61	E53-Q57 WeakPolarHBondContact O-CG 3.2Å; E53-Q57 PolarHBondContact O-N 2.64Å; L54-Q57 PolarHBondContact O-N 3.04Å; Q57-S59 VanDerWaalsContact C-N 3.32Å; Q57-S59 PolarHBondContact O-N 3.03Å; Q57-K60 PolarHBondContact O-N 2.95Å; Q57-Q61 WeakPolarHBondContact O-CG 3.26Å; Q57-Q61 PolarHBondContact O-N 3.18Å
58	L	81	Confident	85.5	Confident	106 Å²	106	105.5 Å²	105.5	56%	0.555	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-39	177	-172.7	68	0	0	0	111.5	L54 R55 Q61 T62	L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 2.86Å; R55-L58 PolarHBondContact O-N 2.86Å; L58-Q61 PolarHBondContact O-N 3.32Å; L58-T62 WeakPolarHBondContact O-CB 3.28Å; L58-T62 PolarHBondContact O-N 3.26Å; L58-T62 PolarHBondContact O-OG1 3.4Å
59	S	86.4	Confident	85.2	Confident	70 Å²	70	103.3 Å²	103.3	49%	0.49	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-47	175.1	178.4	0	0	0	0	111.6	R55 E56 Q57 Q61 T62 V63	R55-S59 WeakPolarHBondContact O-CB 3.47Å; R55-S59 PolarHBondContact O-N 3Å; E56-S59 PolarHBondContact O-N 2.73Å; Q57-S59 VanDerWaalsContact C-N 3.32Å; Q57-S59 PolarHBondContact O-N 3.03Å; S59-Q61 PolarHBondContact O-N 3.43Å; S59-T62 PolarHBondContact O-N 2.86Å; S59-V63 WeakPolarHBondContact O-CG2 3.25Å; S59-V63 PolarHBondContact O-N 2.65Å
60	K	86.4	Confident	84.8	Confident	131 Å²	131	101.9 Å²	101.9	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-44.2	176.1	-70.9	174.2	-174.2	167	0	111.9	E56 Q57 T62 V63 A64	E56-K60 WeakPolarHBondContact O-CG 3.45Å; E56-K60 PolarHBondContact O-N 3.31Å; E56-K60 IonicContact OE1-NZ 3.5Å; E56-K60 PolarHBondContact OE1-NZ 3.26Å; Q57-K60 PolarHBondContact O-N 2.95Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.29Å; K60-V63 PolarHBondContact O-N 3.49Å; K60-A64 PolarHBondContact O-N 3.32Å; K60-A64 VanDerWaalsContact O-N 3.12Å
61	Q	85.9	Confident	84.6	Confident	123 Å²	123	103 Å²	103	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-65.1	-37	176.2	-73.3	-176.5	-9.8	0	0	112.6	Q57 L58 S59 A64 I65	Q57-Q61 WeakPolarHBondContact O-CG 3.26Å; Q57-Q61 PolarHBondContact O-N 3.18Å; L58-Q61 PolarHBondContact O-N 3.32Å; S59-Q61 PolarHBondContact O-N 3.43Å; Q61-A64 PolarHBondContact O-N 3.01Å; Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.49Å; Q61-I65 PolarHBondContact O-N 3.05Å
62	T	82.3	Confident	84.2	Confident	83 Å²	83	103.7 Å²	103.7	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-65.4	-41.4	179.2	-58	0	0	0	0	111.4	L58 S59 K60 I65 A66	L58-T62 WeakPolarHBondContact O-CB 3.28Å; L58-T62 PolarHBondContact O-N 3.26Å; L58-T62 PolarHBondContact O-OG1 3.4Å; S59-T62 PolarHBondContact O-N 2.86Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.29Å; T62-I65 PolarHBondContact O-N 3.34Å; T62-A66 PolarHBondContact O-N 3.49Å; T62-A66 VanDerWaalsContact O-N 3.09Å
63	V	86.4	Confident	83.6	Confident	76 Å²	76	102.6 Å²	102.6	46%	0.461	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-47.4	174.8	175.1	0	0	0	0	110.7	S59 K60 I65 A66 E67	S59-V63 WeakPolarHBondContact O-CG2 3.25Å; S59-V63 PolarHBondContact O-N 2.65Å; K60-V63 PolarHBondContact O-N 3.49Å; V63-I65 VanDerWaalsContact C-N 3.31Å; V63-I65 PolarHBondContact O-N 3.02Å; V63-A66 WeakPolarHBondContact O-CB 3.23Å; V63-A66 PolarHBondContact O-N 2.88Å; V63-E67 PolarHBondContact O-N 3.36Å
64	A	85	Confident	83	Confident	42 Å²	42	102.3 Å²	102.3	35%	0.347	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-38.1	178.1	0	0	0	0	0	112.9	K60 Q61 A66 E67 L68	K60-A64 PolarHBondContact O-N 3.32Å; K60-A64 VanDerWaalsContact O-N 3.12Å; Q61-A64 PolarHBondContact O-N 3.01Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A64-E67 PolarHBondContact O-N 2.89Å; A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 WeakPolarHBondContact O-CG 3.41Å; A64-L68 PolarHBondContact O-N 3.4Å
65	I	81.6	Confident	82.7	Confident	106 Å²	106	102.4 Å²	102.4	54%	0.544	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-40.1	174.8	-71.3	166.2	0	0	0	110.9	Q61 T62 V63 T69	Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.49Å; Q61-I65 PolarHBondContact O-N 3.05Å; T62-I65 PolarHBondContact O-N 3.34Å; V63-I65 VanDerWaalsContact C-N 3.31Å; V63-I65 PolarHBondContact O-N 3.02Å; I65-T69 VanDerWaalsContact O-CB 3.3Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.87Å; I65-T69 PolarHBondContact O-OG1 3.05Å
66	A	79.6	Confident	82	Confident	60 Å²	60	96.6 Å²	96.6	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.8	0	0	0	0	0	111.3	T62 V63 A64 T69 E70	T62-A66 PolarHBondContact O-N 3.49Å; T62-A66 VanDerWaalsContact O-N 3.09Å; V63-A66 WeakPolarHBondContact O-CB 3.23Å; V63-A66 PolarHBondContact O-N 2.88Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A66-T69 PolarHBondContact O-N 2.91Å; A66-E70 PolarHBondContact O-N 3.36Å
67	E	86.1	Confident	81.3	Confident	126 Å²	126	95.4 Å²	95.4	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-61	-47.5	176.4	-69.4	173.9	173.7	0	0	111.9	V63 A64 T69 E70 E71	V63-E67 PolarHBondContact O-N 3.36Å; A64-E67 PolarHBondContact O-N 2.89Å; E67-T69 VanDerWaalsContact C-N 3.29Å; E67-T69 PolarHBondContact O-N 2.78Å; E67-E70 PolarHBondContact O-N 3.38Å; E67-E71 PolarHBondContact O-N 2.64Å
68	L	81.2	Confident	80.5	Confident	110 Å²	110	96.5 Å²	96.5	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-34	176.5	-74.2	170.9	0	0	0	112.5	A64 L72	A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 WeakPolarHBondContact O-CG 3.41Å; A64-L68 PolarHBondContact O-N 3.4Å; L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 PolarHBondContact O-N 2.72Å
69	T	80.1	Confident	79.9	Confident	75 Å²	75	96.4 Å²	96.4	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-42.4	177.1	-58.1	0	0	0	0	110.7	I65 A66 E67 L72 Q73	I65-T69 VanDerWaalsContact O-CB 3.3Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.87Å; I65-T69 PolarHBondContact O-OG1 3.05Å; A66-T69 PolarHBondContact O-N 2.91Å; E67-T69 VanDerWaalsContact C-N 3.29Å; E67-T69 PolarHBondContact O-N 2.78Å; T69-L72 PolarHBondContact O-N 2.61Å; T69-Q73 WeakPolarHBondContact O-CB 3.43Å; T69-Q73 PolarHBondContact O-N 3.41Å
70	E	82.4	Confident	79	Confident	125 Å²	125	97.4 Å²	97.4	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-64.3	-42.5	175.5	-171.1	175.9	179	0	0	111.4	A66 E67 L72 Q73 N74	A66-E70 PolarHBondContact O-N 3.36Å; E67-E70 PolarHBondContact O-N 3.38Å; E70-L72 PolarHBondContact O-N 3.13Å; E70-Q73 PolarHBondContact O-N 2.75Å; E70-N74 WeakPolarHBondContact O-CB 3.49Å; E70-N74 PolarHBondContact O-N 2.77Å; E70-N74 PolarHBondContact O-ND2 2.78Å
71	E	84.5	Confident	78	Confident	96 Å²	96	97.8 Å²	97.8	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175.5	-162.1	-170.5	158.5	0	0	112	E67 Q73 N74 K75	E67-E71 PolarHBondContact O-N 2.64Å; E71-Q73 VanDerWaalsContact C-N 3.34Å; E71-Q73 PolarHBondContact O-N 3.35Å; E71-N74 PolarHBondContact O-N 2.84Å; E71-K75 WeakPolarHBondContact O-CG 3.46Å; E71-K75 PolarHBondContact O-N 3.44Å; E71-K75 VanDerWaalsContact OE1-CE 3.24Å; E71-K75 WeakPolarHBondContact OE1-CE 3.31Å; E71-K75 IonicContact OE1-NZ 2.76Å; E71-K75 PolarHBondContact OE1-NZ 2.57Å
72	L	75.7	Confident	76.6	Confident	116 Å²	116	97.2 Å²	97.2	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-42.5	176.1	-166.4	80	0	0	0	111.2	L68 T69 E70 N74 K75 C76	L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 PolarHBondContact O-N 2.72Å; T69-L72 PolarHBondContact O-N 2.61Å; E70-L72 PolarHBondContact O-N 3.13Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 2.92Å; L72-K75 PolarHBondContact O-N 3.38Å; L72-C76 WeakPolarHBondContact O-CB 3.43Å; L72-C76 PolarHBondContact O-N 2.91Å; L72-C76 PolarHBondContact O-SG 3.07Å; L72-C76 VanDerWaalsContact O-SG 3.41Å
73	Q	76.1	Confident	75.2	Confident	125 Å²	125	98.6 Å²	98.6	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-41.6	179.1	-156.8	170.2	0.9	0	0	111.1	T69 E70 E71 C76 I77	T69-Q73 WeakPolarHBondContact O-CB 3.43Å; T69-Q73 PolarHBondContact O-N 3.41Å; E70-Q73 PolarHBondContact O-N 2.75Å; E71-Q73 VanDerWaalsContact C-N 3.34Å; E71-Q73 PolarHBondContact O-N 3.35Å; Q73-C76 PolarHBondContact O-N 3.19Å; Q73-I77 VanDerWaalsContact O-CG1 3.29Å; Q73-I77 WeakPolarHBondContact O-CG1 2.84Å; Q73-I77 PolarHBondContact O-N 2.87Å
74	N	76.9	Confident	73.6	Confident	83 Å²	83	100.2 Å²	100.2	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-42.4	174.3	-73.4	-29	0	0	0	112.3	E70 E71 L72 I77 Q78	E70-N74 WeakPolarHBondContact O-CB 3.49Å; E70-N74 PolarHBondContact O-N 2.77Å; E70-N74 PolarHBondContact O-ND2 2.78Å; E71-N74 PolarHBondContact O-N 2.84Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 2.92Å; N74-I77 PolarHBondContact O-N 2.9Å; N74-Q78 WeakPolarHBondContact O-CG 3.46Å; N74-Q78 PolarHBondContact O-N 2.82Å
75	K	78.9	Confident	72	Confident	109 Å²	109	103 Å²	103	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-37.6	175	-75.6	-178.4	-175.9	167.1	0	112.6	E71 L72 I77 Q78 L79	E71-K75 WeakPolarHBondContact O-CG 3.46Å; E71-K75 PolarHBondContact O-N 3.44Å; E71-K75 VanDerWaalsContact OE1-CE 3.24Å; E71-K75 WeakPolarHBondContact OE1-CE 3.31Å; E71-K75 IonicContact OE1-NZ 2.76Å; E71-K75 PolarHBondContact OE1-NZ 2.57Å; L72-K75 PolarHBondContact O-N 3.38Å; K75-I77 VanDerWaalsContact C-N 3.35Å; K75-Q78 PolarHBondContact O-N 2.97Å; K75-L79 WeakPolarHBondContact O-CB 3.48Å; K75-L79 PolarHBondContact O-N 2.87Å
76	C	69.8	Low	70.6	Confident	62 Å²	62	103.1 Å²	103.1	42%	0.419	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-41	172.8	-78.1	0	0	0	0	112	L72 Q73 Q78 L79 N80	L72-C76 WeakPolarHBondContact O-CB 3.43Å; L72-C76 PolarHBondContact O-N 2.91Å; L72-C76 PolarHBondContact O-SG 3.07Å; L72-C76 VanDerWaalsContact O-SG 3.41Å; Q73-C76 PolarHBondContact O-N 3.19Å; C76-Q78 VanDerWaalsContact C-N 3.34Å; C76-L79 PolarHBondContact O-N 3.2Å; C76-N80 VanDerWaalsContact O-CG 3.32Å; C76-N80 PolarHBondContact O-N 3.42Å
77	I	73.8	Confident	69.1	Low	79 Å²	79	108 Å²	108	41%	0.405	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.5	-67.8	163.5	0	0	0	110.8	Q73 N74 K75 K81	Q73-I77 VanDerWaalsContact O-CG1 3.29Å; Q73-I77 WeakPolarHBondContact O-CG1 2.84Å; Q73-I77 PolarHBondContact O-N 2.87Å; N74-I77 PolarHBondContact O-N 2.9Å; K75-I77 VanDerWaalsContact C-N 3.35Å; I77-K81 HydrophobicContact CG2-CD 4.33Å; I77-K81 WeakPolarHBondContact O-CG 3.11Å; I77-K81 PolarHBondContact O-N 3.02Å; I77-K81 VanDerWaalsContact O-N 3.1Å
78	Q	70.9	Confident	67.2	Low	124 Å²	124	110 Å²	110	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-66.7	-40.5	175.6	-72.8	-178.8	-9.6	0	0	112.6	N74 K75 C76 K81 L82	N74-Q78 WeakPolarHBondContact O-CG 3.46Å; N74-Q78 PolarHBondContact O-N 2.82Å; K75-Q78 PolarHBondContact O-N 2.97Å; C76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-K81 PolarHBondContact O-N 3.32Å; Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 3.01Å
79	L	68.8	Low	65.1	Low	104 Å²	104	112.8 Å²	112.8	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-61.8	-43.6	175.4	-92.6	162.3	0	0	0	112.2	K75 C76 L82 Q83	K75-L79 WeakPolarHBondContact O-CB 3.48Å; K75-L79 PolarHBondContact O-N 2.87Å; C76-L79 PolarHBondContact O-N 3.2Å; L79-L82 PolarHBondContact O-N 3.23Å; L79-Q83 PolarHBondContact O-N 2.9Å
80	N	65.6	Low	63	Low	91 Å²	91	113.3 Å²	113.3	49%	0.487	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-42.6	176.4	-70.9	-14.1	0	0	0	111.2	C76 L82 Q83 D84	C76-N80 VanDerWaalsContact O-CG 3.32Å; C76-N80 PolarHBondContact O-N 3.42Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.03Å; N80-Q83 PolarHBondContact O-N 3.32Å; N80-D84 PolarHBondContact O-N 3.19Å
81	K	65.8	Low	60.4	Low	138 Å²	138	111.4 Å²	111.4	60%	0.6	60%	0.604	S	S	*	*	H	α-helix	trans	-62.7	-34	175.1	-73.4	176.5	-179.8	-177.6	0	113	I77 Q78 V85	I77-K81 HydrophobicContact CG2-CD 4.33Å; I77-K81 WeakPolarHBondContact O-CG 3.11Å; I77-K81 PolarHBondContact O-N 3.02Å; I77-K81 VanDerWaalsContact O-N 3.1Å; Q78-K81 PolarHBondContact O-N 3.32Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å
82	L	57.9	Low	57.8	Low	111 Å²	111	112.3 Å²	112.3	58%	0.581	62%	0.621	S	S	*	*	H	α-helix	trans	-76.3	-35.5	175.6	-78.3	161.1	0	0	0	112.1	Q78 L79 N80 D84 V85 V86	Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 3.01Å; L79-L82 PolarHBondContact O-N 3.23Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.03Å; L82-D84 VanDerWaalsContact C-N 3.33Å; L82-V85 PolarHBondContact O-N 2.65Å; L82-V86 WeakPolarHBondContact O-CG2 3.36Å; L82-V86 PolarHBondContact O-N 3.07Å
83	Q	52.1	Low	56.6	Low	112 Å²	112	112 Å²	112	52%	0.523	63%	0.625	S	S	.	*	H	α-helix	trans	-63.9	-36.6	173.3	-88.7	-179.5	-25	0	0	112.5	L79 N80 V85 V86 H87	L79-Q83 PolarHBondContact O-N 2.9Å; N80-Q83 PolarHBondContact O-N 3.32Å; Q83-V85 VanDerWaalsContact C-N 3.29Å; Q83-V85 PolarHBondContact O-N 3.4Å; Q83-V86 PolarHBondContact O-N 3.25Å; Q83-H87 PolarHBondContact O-CD2 3.19Å; Q83-H87 PolarHBondContact O-N 2.95Å
84	D	51.8	Low	54.2	Low	111 Å²	111	114.7 Å²	114.7	59%	0.594	64%	0.643	S	S	*	*	H	α-helix	trans	-64.8	-33.2	174.6	-70	-25.3	0	0	0	112.3	N80 L82	N80-D84 PolarHBondContact O-N 3.19Å; L82-D84 VanDerWaalsContact C-N 3.33Å
85	V	52.7	Low	52.1	Low	99 Å²	99	120 Å²	120	60%	0.6	67%	0.665	S	S	*	*	H	α-helix	trans	-75.5	-37	176.3	176.4	0	0	0	0	111.6	K81 L82 Q83 H87 M88	K81-V85 WeakPolarHBondContact O-CG2 3.42Å; L82-V85 PolarHBondContact O-N 2.65Å; Q83-V85 VanDerWaalsContact C-N 3.29Å; Q83-V85 PolarHBondContact O-N 3.4Å; V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 PolarHBondContact O-N 3.46Å; V85-M88 PolarHBondContact O-N 3.41Å
86	V	51	Low	49.6	Very low	109 Å²	109	119.5 Å²	119.5	66%	0.661	68%	0.681	S	S	*	*	H	α-helix	trans	-70.3	-26.6	176.2	174.7	0	0	0	0	111.8	L82 Q83	L82-V86 WeakPolarHBondContact O-CG2 3.36Å; L82-V86 PolarHBondContact O-N 3.07Å; Q83-V86 PolarHBondContact O-N 3.25Å
87	H	48.2	Very low	47.4	Very low	162 Å²	162	122.1 Å²	122.1	75%	0.75	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-13.7	175.7	-88.6	-53.6	0	0	0	115.1	Q83 V85	Q83-H87 PolarHBondContact O-CD2 3.19Å; Q83-H87 PolarHBondContact O-N 2.95Å; V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 PolarHBondContact O-N 3.46Å
88	M	46	Very low	45.7	Very low	170 Å²	170	123.6 Å²	123.6	84%	0.837	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-4.9	178.8	-78.6	-73.7	-177.5	0	0	114.4	V85	V85-M88 PolarHBondContact O-N 3.41Å
89	Q	38	Very low	43.5	Very low	168 Å²	168	123.9 Å²	123.9	79%	0.785	72%	0.721	S	S	*	*	S	Bend	trans	-123.4	104.4	173	-70.2	-174.9	-3.9	0	0	109.8
90	G	36.3	Very low	41.5	Very low	86 Å²	86	127.4 Å²	127.4	89%	0.887	73%	0.732	S	S	*	*			trans	-75.2	158.2	-174.2	0	0	0	0	0	115.5
91	G	28.6	Very low	39.5	Very low	84 Å²	84	129.2 Å²	129.2	87%	0.866	75%	0.746	S	S	*	*			trans	158.5	121.6	163.6	0	0	0	0	0	114.4
92	S	28.4	Very low	37.6	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	75%	0.753	S	S	*	*			trans	-86.1	-178.4	175.5	-166	0	0	0	0	111.5
93	P	50.1	Low	36	Very low	108 Å²	108	130.7 Å²	130.7	70%	0.701	77%	0.766	S	S	*	*				-122.3	151.6	-71.3	36.6	-22.4	0	0	0	111.9
94	L	26.6	Very low	34.6	Very low	183 Å²	183	133 Å²	133	96%	0.958	78%	0.777	S	S	*	*			trans	-141	134.1	163.1	-80.5	171.8	0	0	0	112.9
95	Q	33.6	Very low	33.4	Very low	193 Å²	193	133.7 Å²	133.7	90%	0.902	79%	0.785	S	S	*	*			trans	-62.8	140.7	177.2	-71.6	165.3	-42.8	0	0	112.5
96	A	24.8	Very low	32.1	Very low	99 Å²	99	136 Å²	136	82%	0.818	79%	0.789	S	S	*	*			trans	-170.8	129.4	132.4	0	0	0	0	0	110.8
97	S	25	Very low	30.9	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	80%	0.798	S	S	*	*			trans	-102.2	156.6	148.4	-50.6	0	0	0	0	105.8
98	P	37.3	Very low	29.7	Very low	111 Å²	111	143.3 Å²	143.3	72%	0.721	80%	0.803	S	S	*	*				-149	167.5	56.9	36.7	-13.9	0	0	0	118.6
99	D	25	Very low	28.8	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	80%	0.801	S	S	*	*			trans	77.8	107.7	146.6	-72.5	-39.9	0	0	0	123.8
100	K	26.9	Very low	28.4	Very low	179 Å²	179	139.2 Å²	139.2	78%	0.778	81%	0.805	S	S	*	*				58.3	117.2	128.6	-63.3	177.6	-173.7	176	0	120.3
101	V	23	Very low	27.9	Very low	129 Å²	129	138.4 Å²	138.4	78%	0.782	80%	0.796	S	S	*	*				-158.6	130.9	101.1	-175.3	0	0	0	0	108.8	L103	V101-L103 PolarHBondContact O-N 3.09Å
102	P	26.3	Very low	27.7	Very low	115 Å²	115	143 Å²	143	75%	0.747	80%	0.8	S	S	*	*			trans	-77.3	119.4	168.7	-4	21.4	0	0	0	110.3	E104	P102-E104 PolarHBondContact O-N 3.14Å
103	L	23.4	Very low	27.6	Very low	165 Å²	165	144 Å²	144	86%	0.864	80%	0.801	S	S	*	*			trans	-73.6	100	169.1	-81.3	151.9	0	0	0	109.3	V101 V105	V101-L103 PolarHBondContact O-N 3.09Å; L103-V105 PolarHBondContact O-N 3.37Å
104	E	24.4	Very low	26.5	Very low	161 Å²	161	143.8 Å²	143.8	75%	0.752	80%	0.802	S	S	*	*			trans	-64.5	107	164.1	-82.2	-172.2	138.5	0	0	110	P102 H106	P102-E104 PolarHBondContact O-N 3.14Å; E104-H106 PolarHBondContact O-N 3.38Å
105	V	26	Very low	26.5	Very low	125 Å²	125	141.6 Å²	141.6	76%	0.758	79%	0.791	S	S	*	*			trans	-83.1	91	167.4	-179.3	0	0	0	0	108.5	L103 R107	L103-V105 PolarHBondContact O-N 3.37Å; V105-R107 PolarHBondContact O-N 3.36Å
106	H	24.7	Very low	26.3	Very low	146 Å²	146	140.6 Å²	140.6	68%	0.676	79%	0.785	S	S	*	*			trans	-66.7	95.8	166.5	-88.9	5.9	0	0	0	110.7	E104 K108	E104-H106 PolarHBondContact O-N 3.38Å; H106-K108 PolarHBondContact O-N 2.99Å; H106-K108 VanDerWaalsContact O-N 3.11Å
107	R	26.8	Very low	26.8	Very low	229 Å²	229	140.5 Å²	140.5	86%	0.864	78%	0.779	S	S	*	*			trans	-70.2	97.2	161.8	-90.8	-179.4	172.1	168.8	-1.6	109.4	V105	V105-R107 PolarHBondContact O-N 3.36Å
108	K	22.8	Very low	28	Very low	196 Å²	196	137.5 Å²	137.5	85%	0.852	75%	0.75	S	S	*	*			trans	-85.6	108.9	159.6	-78.8	-175.7	178.5	176.8	0	108.8	H106	H106-K108 PolarHBondContact O-N 2.99Å; H106-K108 VanDerWaalsContact O-N 3.11Å
109	T	27.9	Very low	28.3	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	76%	0.757	S	S	*	*			trans	-115.6	108.3	161.5	39.3	0	0	0	0	109
110	S	28.9	Very low	29.8	Very low	125 Å²	125	140.2 Å²	140.2	87%	0.874	76%	0.755	S	S	*	*			trans	-67.9	142.1	154.5	48.5	0	0	0	0	108.4
111	G	24.8	Very low	31.6	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	73%	0.731	S	S	*	*			cis	152.9	97.7	8.5	0	0	0	0	0	106.3
112	L	25.3	Very low	34.3	Very low	181 Å²	181	128.7 Å²	128.7	95%	0.948	70%	0.701	S	S	*	*			trans	-150.7	126.8	154.9	-121.2	129.8	0	0	0	108.2
113	V	26.6	Very low	36.7	Very low	137 Å²	137	126.9 Å²	126.9	83%	0.83	70%	0.695	S	S	*	*			trans	-88.8	113	-150	178.5	0	0	0	0	110.6
114	S	27	Very low	38.9	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	67%	0.669	S	S	*	*			trans	-109.2	130.2	146.9	-179	0	0	0	0	106.5	H116	S114-H116 PolarHBondContact O-N 3.2Å; S114-H116 VanDerWaalsContact O-N 3.08Å
115	L	26.8	Very low	41.6	Very low	137 Å²	137	113.7 Å²	113.7	72%	0.717	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	115.5	-172.8	-76.7	99.2	0	0	0	111.4	S117	L115-S117 PolarHBondContact O-N 2.96Å
116	H	28	Very low	44	Very low	171 Å²	171	108.8 Å²	108.8	79%	0.792	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	26.5	70.9	170.6	-70.8	-65.4	0	0	0	116.5	S114 R118	S114-H116 PolarHBondContact O-N 3.2Å; S114-H116 VanDerWaalsContact O-N 3.08Å; H116-R118 PolarHBondContact O-N 3.24Å
117	S	35.4	Very low	45.9	Very low	97 Å²	97	102.2 Å²	102.2	68%	0.678	58%	0.581	S	S	*	*			trans	-65.8	127.3	159.2	-177.3	0	0	0	0	109.3	L115 R119	L115-S117 PolarHBondContact O-N 2.96Å; S117-R119 PolarHBondContact O-N 2.72Å
118	R	50.7	Low	47.8	Very low	54 Å²	54	92 Å²	92	20%	0.204	54%	0.543	C	S	.	.			trans	-46.2	110	168.4	-68.2	176.5	176.1	-164.5	-7.9	109	H116 G120 A121 E537 Y744	H116-R118 PolarHBondContact O-N 3.24Å; R118-G120 PolarHBondContact O-N 2.84Å; R118-A121 HydrophobicContact CB-CB 3.79Å; R118-A121 PolarHBondContact O-N 2.97Å; R118-E537 IonicContact CZ-OE1 2.7Å; R118-E537 IonicContact CZ-OE2 3.82Å; R118-E537 IonicContact NH1-OE1 3.2Å; R118-E537 PolarHBondContact NH1-OE1 2.95Å; R118-E537 IonicContact NH1-OE2 2.71Å; R118-E537 PolarHBondContact NH1-OE2 3.09Å; R118-E537 IonicContact NH2-OE1 3.21Å; R118-E537 PolarHBondContact NH2-OE1 3.03Å; R118-Y744 PolarHBondContact NE-OH 3.47Å; R118-Y744 PolarHBondContact NH2-OH 3.42Å
119	R	44.3	Very low	49.2	Very low	234 Å²	234	85.2 Å²	85.2	88%	0.883	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	112.2	-177.3	-76.7	-178	177.7	-177	-0.7	109	S117	S117-R119 PolarHBondContact O-N 2.72Å
120	G	56	Low	50.2	Low	63 Å²	63	82.3 Å²	82.3	65%	0.649	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-3.6	173.6	0	0	0	0	0	116.7	R118	R118-G120 PolarHBondContact O-N 2.84Å
121	A	64.3	Low	51.1	Low	32 Å²	32	78.2 Å²	78.2	26%	0.264	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-76	137.5	173.7	0	0	0	0	0	110.7	R118 W539 E580	R118-A121 HydrophobicContact CB-CB 3.79Å; R118-A121 PolarHBondContact O-N 2.97Å; A121-W539 HydrophobicContact CB-CH2 4.23Å; A121-W539 HydrophobicContact CB-CZ2 4.07Å; A121-E580 HydrophobicContact CB-CG 4.37Å
122	K	78.9	Confident	51.9	Low	34 Å²	34	85.7 Å²	85.7	15%	0.148	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-86.8	126.4	-175.3	-57.6	170	-170.3	152.6	0	111.2	K578 E580 T613 Y616 E642	K122-K578 PolarHBondContact O-NZ 3.44Å; K122-K578 VanDerWaalsContact O-NZ 3.08Å; K122-E580 WeakPolarHBondContact CB-OE1 3.4Å; K122-E580 PolarHBondContact N-OE1 2.68Å; K122-T613 HydrophobicContact CB-CG2 3.48Å; K122-T613 VanDerWaalsContact CB-CG2 3.48Å; K122-T613 HydrophobicContact CD-CG2 4.15Å; K122-T613 HydrophobicContact CG-CG2 4.4Å; K122-Y616 HydrophobicContact CD-CE2 4.11Å; K122-E642 IonicContact NZ-OE1 3.29Å; K122-E642 PolarHBondContact NZ-OE1 2.92Å; K122-E642 IonicContact NZ-OE2 3.75Å; K122-E642 PolarHBondContact NZ-OE2 2.67Å
123	A	77.7	Confident	52.9	Low	77 Å²	77	78.5 Å²	78.5	64%	0.636	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-89.4	133.9	177.8	0	0	0	0	0	111.3
124	G	70.6	Confident	53.6	Low	29 Å²	29	73.3 Å²	73.3	30%	0.299	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-70.3	150.1	171	0	0	0	0	0	111.6
125	V	79.3	Confident	54.3	Low	21 Å²	21	73.1 Å²	73.1	13%	0.127	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.8	174.7	-62.7	0	0	0	0	110.5	Y238 F597 F610 C611 G612 P614	V125-Y238 HydrophobicContact CB-CD2 3.59Å; V125-Y238 HydrophobicContact CB-CE2 3.55Å; V125-Y238 HydrophobicContact CB-CG 4.16Å; V125-Y238 HydrophobicContact CG1-CD2 4.01Å; V125-Y238 HydrophobicContact CG1-CE2 3.47Å; V125-Y238 VanDerWaalsContact CG1-CE2 3.47Å; V125-Y238 HydrophobicContact CG2-CD1 4.22Å; V125-Y238 HydrophobicContact CG2-CD2 4Å; V125-Y238 HydrophobicContact CG2-CE1 4.11Å; V125-Y238 HydrophobicContact CG2-CE2 3.87Å; V125-Y238 HydrophobicContact CG2-CG 4.14Å; V125-F597 WeakPolarHBondContact O-CZ 3.32Å; V125-F610 HydrophobicContact CG2-CD1 4.41Å; V125-F610 HydrophobicContact CG2-CE1 3.77Å; V125-C611 CarbonylContact O-C 3.59Å; V125-C611 WeakPolarHBondContact O-CA 3.49Å; V125-C611 WeakPolarHBondContact O-CB 3.47Å; V125-G612 WeakPolarHBondContact CG2-O 3.46Å; V125-G612 PolarHBondContact N-O 2.7Å; V125-G612 PolarHBondContact O-N 3.11Å; V125-P614 HydrophobicContact CG1-CG 4.47Å; V125-P614 HydrophobicContact CG2-CG 4.4Å
126	S	77	Confident	55	Low	22 Å²	22	71.1 Å²	71.1	15%	0.154	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.1	178.8	179.1	0	0	0	0	112.3	E128 F610	S126-E128 WeakPolarHBondContact OG-CG 3.49Å; S126-E128 PolarHBondContact OG-N 3.16Å; S126-F610 CarbonylContact C-O 3.59Å; S126-F610 WeakPolarHBondContact CA-O 3.41Å
127	A	65.7	Low	55.6	Low	7 Å²	7	70.8 Å²	70.8	6%	0.058	39%	0.391	C	S	.	.			trans	-112.7	13.7	177.8	0	0	0	0	0	112.9	L237 Y238 Q263 F610	A127-L237 WeakPolarHBondContact CB-O 3.5Å; A127-Y238 VanDerWaalsContact CB-CA 3.48Å; A127-Q263 PolarHBondContact O-NE2 2.99Å; A127-F610 HydrophobicContact CB-CB 3.8Å; A127-F610 WeakPolarHBondContact CB-O 3.31Å; A127-F610 PolarHBondContact N-O 3.38Å
128	E	64.7	Low	56	Low	16 Å²	16	74.6 Å²	74.6	8%	0.075	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-58.3	139.7	-175.2	-67.4	-141.9	-153.3	0	0	111.9	S126 Y134 H497 R575 T609	S126-E128 WeakPolarHBondContact OG-CG 3.49Å; S126-E128 PolarHBondContact OG-N 3.16Å; E128-Y134 WeakPolarHBondContact OE2-CD2 3.23Å; E128-Y134 WeakPolarHBondContact OE2-CE2 3.45Å; E128-H497 WeakPolarHBondContact CB-CE1 3.34Å; E128-H497 WeakPolarHBondContact CB-NE2 3.45Å; E128-H497 IonicContact OE2-NE2 2.64Å; E128-R575 IonicContact OE1-CZ 3.19Å; E128-R575 IonicContact OE1-NH1 3.41Å; E128-R575 IonicContact OE1-NH2 2.9Å; E128-R575 PolarHBondContact OE1-NH2 2.77Å; E128-T609 HydrophobicContact CB-CG2 4.32Å; E128-T609 HydrophobicContact CG-CG2 3.07Å; E128-T609 WeakPolarHBondContact CG-OG1 3.41Å; E128-T609 PolarHBondContact OE2-OG1 3.42Å
129	P	52.4	Low	55.9	Low	53 Å²	53	74.3 Å²	74.3	34%	0.344	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-68.9	151.6	178.7	30.9	-34.6	0	0	0	110.3	T133	P129-T133 VanDerWaalsContact CB-OG1 3.24Å; P129-T133 WeakPolarHBondContact CB-OG1 3.49Å; P129-T133 VanDerWaalsContact CG-OG1 3.3Å; P129-T133 WeakPolarHBondContact CG-OG1 3.31Å
130	T	50.4	Low	56.2	Low	66 Å²	66	66.8 Å²	66.8	41%	0.405	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-63.2	149	-176.9	58.9	0	0	0	0	111.9	R132 T133 K493	T130-R132 PolarHBondContact O-N 2.92Å; T130-T133 PolarHBondContact O-N 3.01Å; T130-K493 HydrophobicContact CG2-CB 3.71Å; T130-K493 HydrophobicContact CG2-CD 3.22Å; T130-K493 HydrophobicContact CG2-CG 4.12Å
131	T	48.1	Very low	56.2	Low	40 Å²	40	72.6 Å²	72.6	25%	0.245	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-6.2	-37.2	175.7	-6.4	0	0	0	0	120.9	T133 Q495 E496	T131-T133 PolarHBondContact O-N 3.38Å; T131-Q495 HydrophobicContact CG2-CB 3.65Å; T131-Q495 HydrophobicContact CG2-CG 4.08Å; T131-Q495 PolarHBondContact OG1-OE1 3.37Å; T131-E496 HydrophobicContact CG2-CG 3.68Å; T131-E496 WeakPolarHBondContact O-CG 3.5Å
132	R	41.3	Very low	56.3	Low	225 Å²	225	72.5 Å²	72.5	85%	0.849	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.9	-174.5	-73.9	-174.7	176.8	179.9	-1.2	115.8	T130 L136	T130-R132 PolarHBondContact O-N 2.92Å; R132-L136 WeakPolarHBondContact O-CD1 3.41Å
133	T	45.6	Very low	56	Low	29 Å²	29	72.8 Å²	72.8	18%	0.178	39%	0.392	C	S	.	.	S	Bend	trans	-130.8	4.1	-170.8	60	0	0	0	0	114.6	P129 T130 T131 P140	P129-T133 VanDerWaalsContact CB-OG1 3.24Å; P129-T133 WeakPolarHBondContact CB-OG1 3.49Å; P129-T133 VanDerWaalsContact CG-OG1 3.3Å; P129-T133 WeakPolarHBondContact CG-OG1 3.31Å; T130-T133 PolarHBondContact O-N 3.01Å; T131-T133 PolarHBondContact O-N 3.38Å; T133-P140 HydrophobicContact CG2-CG 3.39Å
134	Y	42	Very low	55.6	Low	29 Å²	29	70.9 Å²	70.9	11%	0.114	37%	0.37	C	S	.	.	S	Bend	trans	-71	-43.2	-171.5	-170.5	-93.3	0	0	0	113.4	E128 E496 H497 S500	E128-Y134 WeakPolarHBondContact OE2-CD2 3.23Å; E128-Y134 WeakPolarHBondContact OE2-CE2 3.45Å; Y134-E496 HydrophobicContact CD1-CB 3.49Å; Y134-E496 VanDerWaalsContact CD1-CB 3.49Å; Y134-E496 HydrophobicContact CD1-CG 4.29Å; Y134-E496 HydrophobicContact CD2-CB 4Å; Y134-E496 HydrophobicContact CE1-CB 4.16Å; Y134-E496 HydrophobicContact CG-CB 3.4Å; Y134-E496 HydrophobicContact CG-CG 4.09Å; Y134-H497 AromaticContact CD2-CD2 3.71Å; Y134-H497 AromaticContact CD2-NE2 3.84Å; Y134-H497 AromaticContact CE2-CD2 3.13Å; Y134-H497 WeakPolarHBondContact CE2-CD2 3.48Å; Y134-H497 AromaticContact CE2-NE2 3.48Å; Y134-H497 WeakPolarHBondContact CE2-NE2 3.33Å; Y134-H497 AromaticContact CZ-CD2 3.79Å; Y134-S500 WeakPolarHBondContact OH-CB 3.43Å; Y134-S500 PolarHBondContact OH-OG 3.03Å
135	D	40.8	Very low	55.5	Low	100 Å²	100	77.2 Å²	77.2	54%	0.535	39%	0.392	S	S	.	.	S	Bend	trans	-105.3	9.4	-177.3	-147.6	4.8	0	0	0	112.8	N137 R503	D135-N137 PolarHBondContact O-N 3.08Å; D135-R503 IonicContact OD2-NH1 2.72Å; D135-R503 PolarHBondContact OD2-NH1 3.26Å
136	L	40.9	Very low	55.3	Low	94 Å²	94	85.2 Å²	85.2	49%	0.492	43%	0.425	S	S	.	.			trans	-79.6	110.6	175.5	-69.1	179.3	0	0	0	109	R132 K138	R132-L136 WeakPolarHBondContact O-CD1 3.41Å; L136-K138 VanDerWaalsContact CB-O 3.25Å; L136-K138 WeakPolarHBondContact CB-O 3.37Å; L136-K138 PolarHBondContact O-N 3.46Å
137	N	42.3	Very low	55.3	Low	165 Å²	165	85.2 Å²	85.2	88%	0.882	43%	0.426	S	S	*	.	S	Bend	trans	-50.7	-11.6	161.3	-76.2	-29.3	0	0	0	113.1	D135	D135-N137 PolarHBondContact O-N 3.08Å
138	K	42.6	Very low	56.2	Low	176 Å²	176	91.2 Å²	91.2	77%	0.765	45%	0.448	S	S	*	.	S	Bend	trans	-139.1	108.9	166.5	-76.2	-175.9	175.9	-179.6	0	111.4	L136	L136-K138 VanDerWaalsContact CB-O 3.25Å; L136-K138 WeakPolarHBondContact CB-O 3.37Å; L136-K138 PolarHBondContact O-N 3.46Å
139	P	48.7	Very low	57.2	Low	49 Å²	49	92.9 Å²	92.9	32%	0.318	46%	0.459	S	S	.	.			trans	-59.8	159.5	173.5	23.7	-31.3	0	0	0	111.3	E141 R267	P139-E141 PolarHBondContact O-N 3.3Å; P139-R267 VanDerWaalsContact CG-CZ 3.45Å
140	P	50.6	Low	58.8	Low	76 Å²	76	102.1 Å²	102.1	49%	0.494	49%	0.486	S	S	.	.			trans	-49.8	139.7	175.9	-22.7	30.4	0	0	0	110.8	T133 F142	T133-P140 HydrophobicContact CG2-CG 3.39Å; P140-F142 PolarHBondContact O-N 3.43Å
141	E	56.6	Low	60.7	Low	185 Å²	185	99.7 Å²	99.7	86%	0.864	47%	0.471	S	S	*	.			trans	-71.8	91	-174.5	-144.6	173.7	-153.4	0	0	109.9	P139 S143	P139-E141 PolarHBondContact O-N 3.3Å; E141-S143 PolarHBondContact O-N 3.39Å
142	F	66.5	Low	62.6	Low	30 Å²	30	101.6 Å²	101.6	13%	0.132	48%	0.479	C	S	.	.			trans	-57.2	124.4	172.6	176.7	-109.8	0	0	0	109.3	P140 F144 A147 V261 N264 R268	P140-F142 PolarHBondContact O-N 3.43Å; F142-F144 AromaticContact CE1-CD2 4Å; F142-F144 HydrophobicContact CE1-CD2 4Å; F142-A147 HydrophobicContact CE1-CB 4.5Å; F142-A147 HydrophobicContact CE2-CB 3.96Å; F142-A147 HydrophobicContact CZ-CB 3.55Å; F142-V261 HydrophobicContact CE2-CG2 4.01Å; F142-V261 HydrophobicContact CZ-CB 4.34Å; F142-V261 HydrophobicContact CZ-CG1 3.9Å; F142-V261 HydrophobicContact CZ-CG2 4.15Å; F142-N264 HydrophobicContact CB-CB 4.19Å; F142-N264 HydrophobicContact CD1-CB 3.66Å; F142-N264 HydrophobicContact CD2-CB 4.28Å; F142-N264 WeakPolarHBondContact CD2-ND2 3.38Å; F142-N264 HydrophobicContact CE1-CB 4.07Å; F142-N264 HydrophobicContact CG-CB 3.78Å; F142-R268 PolarHBondContact O-NH1 2.77Å; F142-R268 PolarHBondContact O-NH2 2.9Å
143	S	72.8	Confident	64.9	Low	39 Å²	39	96 Å²	96	27%	0.273	47%	0.474	S	S	.	.			trans	-98	109.9	176.8	176.5	0	0	0	0	109.4	E141 E145 K146 A147	E141-S143 PolarHBondContact O-N 3.39Å; S143-E145 VanDerWaalsContact C-N 3.27Å; S143-E145 PolarHBondContact O-N 2.92Å; S143-K146 PolarHBondContact O-N 2.76Å; S143-K146 WeakPolarHBondContact OG-CG 3.46Å; S143-K146 PolarHBondContact OG-N 2.8Å; S143-A147 PolarHBondContact O-N 2.82Å
144	F	69.4	Low	67	Low	38 Å²	38	98 Å²	98	17%	0.167	49%	0.489	C	S	.	.	H	α-helix	trans	-61.5	-40.7	177.7	-164	-104.3	0	0	0	110.8	F142 K146 A147 R148 D179 E182 C183 I265	F142-F144 AromaticContact CE1-CD2 4Å; F142-F144 HydrophobicContact CE1-CD2 4Å; F144-K146 VanDerWaalsContact C-N 3.28Å; F144-K146 PolarHBondContact O-N 2.89Å; F144-A147 PolarHBondContact O-N 3.25Å; F144-R148 HydrophobicContact CD1-CG 4Å; F144-R148 HydrophobicContact CE1-CG 3.89Å; F144-R148 WeakPolarHBondContact O-CG 3.29Å; F144-R148 PolarHBondContact O-N 2.8Å; F144-D179 HydrophobicContact CE2-CB 3.76Å; F144-D179 HydrophobicContact CZ-CB 3.5Å; F144-D179 WeakPolarHBondContact CZ-O 3.2Å; F144-D179 WeakPolarHBondContact CZ-OD1 3.4Å; F144-E182 HydrophobicContact CE1-CB 4.36Å; F144-E182 HydrophobicContact CZ-CB 4.19Å; F144-C183 WeakPolarHBondContact CE2-SG 3.24Å; F144-I265 HydrophobicContact CE2-CD1 4.18Å; F144-I265 HydrophobicContact CE2-CG1 3.98Å
145	E	68.5	Low	69.3	Low	162 Å²	162	98.4 Å²	98.4	76%	0.757	49%	0.492	S	S	*	.	H	α-helix	trans	-58.4	-39.8	177.9	-65.3	177.7	167.9	0	0	112.4	S143 A147	S143-E145 VanDerWaalsContact C-N 3.27Å; S143-E145 PolarHBondContact O-N 2.92Å; E145-A147 VanDerWaalsContact C-N 3.35Å
146	K	73.4	Confident	71.8	Confident	188 Å²	188	96.2 Å²	96.2	82%	0.817	48%	0.478	S	S	*	.	H	α-helix	trans	-72.6	-27	176.3	-67.1	-179.5	-175.6	177.3	0	113.2	S143 F144	S143-K146 PolarHBondContact O-N 2.76Å; S143-K146 WeakPolarHBondContact OG-CG 3.46Å; S143-K146 PolarHBondContact OG-N 2.8Å; F144-K146 VanDerWaalsContact C-N 3.28Å; F144-K146 PolarHBondContact O-N 2.89Å
147	A	78.1	Confident	74.3	Confident	23 Å²	23	98.4 Å²	98.4	19%	0.19	48%	0.484	C	S	.	.	H	α-helix	trans	-87.1	-11.4	179.8	0	0	0	0	0	113.5	F142 S143 F144 E145 C183	F142-A147 HydrophobicContact CE1-CB 4.5Å; F142-A147 HydrophobicContact CE2-CB 3.96Å; F142-A147 HydrophobicContact CZ-CB 3.55Å; S143-A147 PolarHBondContact O-N 2.82Å; F144-A147 PolarHBondContact O-N 3.25Å; E145-A147 VanDerWaalsContact C-N 3.35Å; A147-C183 WeakPolarHBondContact O-CA 3.36Å
148	R	83.9	Confident	76.8	Confident	133 Å²	133	93.5 Å²	93.5	50%	0.502	46%	0.457	S	S	.	.			trans	-69.4	138	178.9	-79.7	-176.9	176.6	178	-0.4	111.3	F144 E182	F144-R148 HydrophobicContact CD1-CG 4Å; F144-R148 HydrophobicContact CE1-CG 3.89Å; F144-R148 WeakPolarHBondContact O-CG 3.29Å; F144-R148 PolarHBondContact O-N 2.8Å; R148-E182 HydrophobicContact CG-CB 4.2Å
149	V	86	Confident	79.3	Confident	51 Å²	51	85.1 Å²	85.1	31%	0.309	42%	0.421	S	S	.	.			trans	-122	126.5	174.9	-179.9	0	0	0	0	109.3	K151 E182 M184	V149-K151 PolarHBondContact O-N 3.49Å; V149-K151 PolarHBondContact O-NZ 2.84Å; V149-E182 PolarHBondContact N-O 3.32Å; V149-M184 WeakPolarHBondContact CB-O 3.39Å
150	R	86.1	Confident	81.6	Confident	246 Å²	246	84.6 Å²	84.6	93%	0.928	42%	0.417	S	S	*	.			trans	-61.6	131	178.2	-175.4	178.5	176.1	138.1	-0.3	110.3
151	K	90.5	Very high	83.6	Confident	16 Å²	16	84.2 Å²	84.2	7%	0.07	41%	0.41	C	S	.	.			trans	-142	152.5	176.5	-57.7	176.7	-165.5	69.8	0	108.4	V149 E155 K156 I159 V181 E182 M184 W255	V149-K151 PolarHBondContact O-N 3.49Å; V149-K151 PolarHBondContact O-NZ 2.84Å; K151-E155 HydrophobicContact CB-CB 4.49Å; K151-K156 HydrophobicContact CB-CG 3.92Å; K151-K156 WeakPolarHBondContact O-CE 3.32Å; K151-I159 HydrophobicContact CD-CD1 3.7Å; K151-V181 WeakPolarHBondContact CE-O 3.42Å; K151-V181 PolarHBondContact NZ-O 3.3Å; K151-E182 PolarHBondContact NZ-O 3.28Å; K151-M184 WeakPolarHBondContact CE-O 3.27Å; K151-M184 PolarHBondContact NZ-O 3.46Å; K151-W255 HydrophobicContact CD-CE3 4.17Å; K151-W255 HydrophobicContact CD-CH2 3.82Å; K151-W255 HydrophobicContact CD-CZ2 4.3Å; K151-W255 HydrophobicContact CD-CZ3 3.75Å; K151-W255 HydrophobicContact CG-CH2 3.64Å; K151-W255 HydrophobicContact CG-CZ2 4.36Å; K151-W255 HydrophobicContact CG-CZ3 3.87Å
152	D	88.1	Confident	85.5	Confident	79 Å²	79	75.4 Å²	75.4	42%	0.422	37%	0.37	S	S	.	.			trans	-74.6	164.5	172.6	73.7	44.2	0	0	0	111.6	S154 E155 K156	D152-S154 PolarHBondContact O-N 3.2Å; D152-S154 WeakPolarHBondContact OD1-CA 3.26Å; D152-S154 WeakPolarHBondContact OD1-CB 3.11Å; D152-S154 PolarHBondContact OD1-N 3.08Å; D152-S154 PolarHBondContact OD1-OG 3.28Å; D152-E155 PolarHBondContact N-OE2 3.43Å; D152-E155 WeakPolarHBondContact OD1-CB 3.1Å; D152-E155 WeakPolarHBondContact OD1-CG 3.5Å; D152-E155 PolarHBondContact OD1-N 2.77Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.47Å; D152-K156 PolarHBondContact O-N 2.94Å; D152-K156 VanDerWaalsContact O-N 3.07Å
153	S	88.6	Confident	86.8	Confident	107 Å²	107	74 Å²	74	75%	0.748	36%	0.363	S	S	*	.	H	α-helix	trans	-64.8	-27.2	-177.7	-56.8	0	0	0	0	113.1	K157	S153-K157 PolarHBondContact O-N 3.34Å
154	S	91.1	Very high	87.8	Confident	71 Å²	71	75.6 Å²	75.6	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-76.1	-43.8	-179	72.9	0	0	0	0	111.7	D152 K157 L158	D152-S154 PolarHBondContact O-N 3.2Å; D152-S154 WeakPolarHBondContact OD1-CA 3.26Å; D152-S154 WeakPolarHBondContact OD1-CB 3.11Å; D152-S154 PolarHBondContact OD1-N 3.08Å; D152-S154 PolarHBondContact OD1-OG 3.28Å; S154-K157 WeakPolarHBondContact O-CB 3.22Å; S154-K157 PolarHBondContact O-N 2.81Å; S154-L158 WeakPolarHBondContact O-CG 3.24Å; S154-L158 PolarHBondContact O-N 3.34Å
155	E	90.5	Very high	88.8	Confident	38 Å²	38	81 Å²	81	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-44.6	173.3	-71.8	-178.2	131.5	0	0	110.3	K151 D152 K157 L158 I159 K253 W255	K151-E155 HydrophobicContact CB-CB 4.49Å; D152-E155 PolarHBondContact N-OE2 3.43Å; D152-E155 WeakPolarHBondContact OD1-CB 3.1Å; D152-E155 WeakPolarHBondContact OD1-CG 3.5Å; D152-E155 PolarHBondContact OD1-N 2.77Å; E155-K157 VanDerWaalsContact C-N 3.27Å; E155-K157 PolarHBondContact O-N 3.02Å; E155-L158 PolarHBondContact O-N 2.77Å; E155-I159 WeakPolarHBondContact O-CD1 3.35Å; E155-I159 WeakPolarHBondContact O-CG1 3.41Å; E155-I159 PolarHBondContact O-N 2.73Å; E155-K253 IonicContact OE1-NZ 2.76Å; E155-K253 PolarHBondContact OE1-NZ 3.35Å; E155-W255 HydrophobicContact CB-CZ2 4.46Å; E155-W255 HydrophobicContact CG-CZ2 4.47Å; E155-W255 WeakPolarHBondContact OE1-CZ2 3.42Å
156	K	92.6	Very high	89.8	Confident	54 Å²	54	74.1 Å²	74.1	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-44.1	175.9	-73.7	-178.2	-179.5	-164.1	0	111.7	K151 D152 T160 V181 E182	K151-K156 HydrophobicContact CB-CG 3.92Å; K151-K156 WeakPolarHBondContact O-CE 3.32Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.47Å; D152-K156 PolarHBondContact O-N 2.94Å; D152-K156 VanDerWaalsContact O-N 3.07Å; K156-T160 WeakPolarHBondContact O-CB 3.27Å; K156-T160 PolarHBondContact O-N 2.86Å; K156-T160 PolarHBondContact O-OG1 2.86Å; K156-V181 HydrophobicContact CB-CG1 4.01Å; K156-V181 HydrophobicContact CG-CG1 3.94Å; K156-E182 WeakPolarHBondContact CE-OE1 3.18Å; K156-E182 IonicContact NZ-OE1 3.4Å; K156-E182 PolarHBondContact NZ-OE1 2.86Å; K156-E182 IonicContact NZ-OE2 3.04Å; K156-E182 PolarHBondContact NZ-OE2 2.9Å
157	K	93.6	Very high	90.3	Very high	140 Å²	140	70.3 Å²	70.3	61%	0.609	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-48.3	178.3	-174.6	177.8	177.6	-179.3	0	111.3	S153 S154 E155 I159 T160 D161	S153-K157 PolarHBondContact O-N 3.34Å; S154-K157 WeakPolarHBondContact O-CB 3.22Å; S154-K157 PolarHBondContact O-N 2.81Å; E155-K157 VanDerWaalsContact C-N 3.27Å; E155-K157 PolarHBondContact O-N 3.02Å; K157-I159 PolarHBondContact O-N 3.19Å; K157-T160 WeakPolarHBondContact O-CB 3.2Å; K157-T160 PolarHBondContact O-N 3.37Å; K157-T160 VanDerWaalsContact O-N 3.16Å; K157-D161 VanDerWaalsContact O-CG 3.28Å; K157-D161 PolarHBondContact O-N 2.96Å
158	L	95.4	Very high	90.6	Very high	63 Å²	63	69.2 Å²	69.2	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-39.3	-179.7	-69	166.2	0	0	0	112.9	S154 E155 D161 A162 W228	S154-L158 WeakPolarHBondContact O-CG 3.24Å; S154-L158 PolarHBondContact O-N 3.34Å; E155-L158 PolarHBondContact O-N 2.77Å; L158-D161 PolarHBondContact O-N 3.49Å; L158-A162 WeakPolarHBondContact O-CB 3.18Å; L158-A162 PolarHBondContact O-N 3.12Å; L158-W228 HydrophobicContact CB-CD2 3.94Å; L158-W228 HydrophobicContact CB-CE3 3.64Å; L158-W228 HydrophobicContact CB-CH2 3.81Å; L158-W228 HydrophobicContact CB-CZ2 4.13Å; L158-W228 HydrophobicContact CB-CZ3 3.56Å; L158-W228 HydrophobicContact CD1-CH2 3.81Å; L158-W228 HydrophobicContact CD1-CZ2 3.57Å; L158-W228 HydrophobicContact CD1-CZ3 4.44Å; L158-W228 HydrophobicContact CD2-CD2 4.45Å; L158-W228 HydrophobicContact CG-CH2 4.43Å; L158-W228 HydrophobicContact CG-CZ2 4.35Å
159	I	95.3	Very high	90.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-45.7	173.7	-62	162.5	0	0	0	109.9	K151 E155 K157 D161 A162 L163 V181 M184 W228 W255	K151-I159 HydrophobicContact CD-CD1 3.7Å; E155-I159 WeakPolarHBondContact O-CD1 3.35Å; E155-I159 WeakPolarHBondContact O-CG1 3.41Å; E155-I159 PolarHBondContact O-N 2.73Å; K157-I159 PolarHBondContact O-N 3.19Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 3.23Å; I159-A162 WeakPolarHBondContact O-CB 3.38Å; I159-A162 PolarHBondContact O-N 2.96Å; I159-A162 VanDerWaalsContact O-N 3.16Å; I159-L163 HydrophobicContact CG2-CD1 4.13Å; I159-L163 HydrophobicContact CG2-CG 4.36Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.89Å; I159-V181 HydrophobicContact CB-CG1 4.19Å; I159-V181 HydrophobicContact CB-CG2 4.26Å; I159-V181 HydrophobicContact CD1-CG1 4.33Å; I159-V181 HydrophobicContact CG2-CB 4.38Å; I159-V181 HydrophobicContact CG2-CG1 4.19Å; I159-V181 HydrophobicContact CG2-CG2 3.72Å; I159-M184 HydrophobicContact CG2-SD 3.41Å; I159-M184 WeakPolarHBondContact CG2-SD 3.38Å; I159-W228 HydrophobicContact CG1-CZ3 4.36Å; I159-W255 HydrophobicContact CD1-CD2 3.7Å; I159-W255 HydrophobicContact CD1-CE3 4.35Å; I159-W255 HydrophobicContact CD1-CG 3.74Å; I159-W255 HydrophobicContact CD1-CZ2 4.32Å; I159-W255 HydrophobicContact CG1-CD2 4.46Å; I159-W255 HydrophobicContact CG1-CG 4.02Å
160	T	95.4	Very high	90.9	Very high	38 Å²	38	66 Å²	66	23%	0.233	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-47.3	177.6	-60.4	0	0	0	0	111.1	K156 K157 A162 L163 N164 I177	K156-T160 WeakPolarHBondContact O-CB 3.27Å; K156-T160 PolarHBondContact O-N 2.86Å; K156-T160 PolarHBondContact O-OG1 2.86Å; K157-T160 WeakPolarHBondContact O-CB 3.2Å; K157-T160 PolarHBondContact O-N 3.37Å; K157-T160 VanDerWaalsContact O-N 3.16Å; T160-A162 VanDerWaalsContact C-N 3.33Å; T160-A162 PolarHBondContact O-N 3.16Å; T160-L163 PolarHBondContact O-N 3.33Å; T160-N164 WeakPolarHBondContact O-CB 3.44Å; T160-N164 PolarHBondContact O-N 3.34Å; T160-N164 PolarHBondContact O-ND2 3.31Å; T160-I177 HydrophobicContact CG2-CG2 4.14Å
161	D	94.3	Very high	90.9	Very high	67 Å²	67	59.1 Å²	59.1	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-39.6	178.5	-67.3	-17.7	0	0	0	111.6	K157 L158 I159 N164 K165	K157-D161 VanDerWaalsContact O-CG 3.28Å; K157-D161 PolarHBondContact O-N 2.96Å; L158-D161 PolarHBondContact O-N 3.49Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 3.23Å; D161-N164 PolarHBondContact O-N 3.43Å; D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.3Å; D161-K165 PolarHBondContact O-N 3.09Å
162	A	94.8	Very high	90.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-39.1	176.8	0	0	0	0	0	113	L158 I159 T160 V207 W228 T230	L158-A162 WeakPolarHBondContact O-CB 3.18Å; L158-A162 PolarHBondContact O-N 3.12Å; I159-A162 WeakPolarHBondContact O-CB 3.38Å; I159-A162 PolarHBondContact O-N 2.96Å; I159-A162 VanDerWaalsContact O-N 3.16Å; T160-A162 VanDerWaalsContact C-N 3.33Å; T160-A162 PolarHBondContact O-N 3.16Å; A162-V207 HydrophobicContact CB-CG1 3.58Å; A162-V207 HydrophobicContact CB-CG2 4.21Å; A162-W228 HydrophobicContact CB-CB 4.41Å; A162-W228 WeakPolarHBondContact CB-O 3.48Å; A162-T230 PolarHBondContact O-OG1 3.46Å
163	L	94	Very high	90.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-42.5	175.3	-61.8	173.7	0	0	0	110.5	I159 T160 K165 N166 L169 I177 M180 V181 V207 T230	I159-L163 HydrophobicContact CG2-CD1 4.13Å; I159-L163 HydrophobicContact CG2-CG 4.36Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.89Å; T160-L163 PolarHBondContact O-N 3.33Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 2.67Å; L163-N166 WeakPolarHBondContact O-CB 3.46Å; L163-N166 PolarHBondContact O-N 2.97Å; L163-N166 VanDerWaalsContact O-N 3.09Å; L163-L169 HydrophobicContact CB-CD1 4.34Å; L163-L169 HydrophobicContact CD2-CD1 3.59Å; L163-L169 WeakPolarHBondContact O-CB 3.42Å; L163-I177 HydrophobicContact CB-CD1 4.32Å; L163-I177 HydrophobicContact CB-CG2 4.44Å; L163-I177 HydrophobicContact CD1-CG2 4.15Å; L163-M180 HydrophobicContact CD1-CB 4.4Å; L163-M180 HydrophobicContact CD1-CE 4.36Å; L163-M180 HydrophobicContact CD2-CE 4.26Å; L163-V181 HydrophobicContact CD1-CG2 3.71Å; L163-V207 HydrophobicContact CD2-CG2 4.03Å; L163-T230 HydrophobicContact CD2-CG2 4.45Å
164	N	93.4	Very high	90.3	Very high	72 Å²	72	58.2 Å²	58.2	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-69.8	-19.2	179	-75.3	-30.3	0	0	0	114.3	T160 D161 N166 K170	T160-N164 WeakPolarHBondContact O-CB 3.44Å; T160-N164 PolarHBondContact O-N 3.34Å; T160-N164 PolarHBondContact O-ND2 3.31Å; D161-N164 PolarHBondContact O-N 3.43Å; N164-N166 VanDerWaalsContact C-N 3.35Å; N164-K170 VanDerWaalsContact O-CB 3.24Å; N164-K170 WeakPolarHBondContact O-CB 3.44Å
165	K	91.6	Very high	90	Very high	151 Å²	151	58.7 Å²	58.7	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-74.4	-24.5	170.2	-75.6	170.7	-173.6	175.6	0	112.9	D161 L163	D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.3Å; D161-K165 PolarHBondContact O-N 3.09Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 2.67Å
166	N	89.7	Confident	90	Very high	18 Å²	18	57.7 Å²	57.7	10%	0.096	28%	0.279	C	S	.	.	S	Bend	trans	-73.2	134.3	-178.4	-178.7	-79.2	0	0	0	110.9	L163 N164 F168 L169 K170 E233	L163-N166 WeakPolarHBondContact O-CB 3.46Å; L163-N166 PolarHBondContact O-N 2.97Å; L163-N166 VanDerWaalsContact O-N 3.09Å; N164-N166 VanDerWaalsContact C-N 3.35Å; N166-F168 VanDerWaalsContact C-N 3.26Å; N166-F168 PolarHBondContact O-N 3.41Å; N166-F168 WeakPolarHBondContact OD1-CB 3.35Å; N166-F168 PolarHBondContact OD1-N 2.92Å; N166-L169 HydrophobicContact CB-CB 4.15Å; N166-L169 HydrophobicContact CB-CD1 4.12Å; N166-L169 HydrophobicContact CB-CG 4.26Å; N166-L169 PolarHBondContact OD1-N 3.46Å; N166-L169 VanDerWaalsContact OD1-N 3.1Å; N166-K170 VanDerWaalsContact O-CB 3.3Å; N166-K170 WeakPolarHBondContact O-CB 3.39Å; N166-K170 VanDerWaalsContact O-CG 3.27Å; N166-K170 WeakPolarHBondContact O-CG 3.43Å; N166-K170 PolarHBondContact O-N 3.39Å; N166-K170 VanDerWaalsContact O-N 3.12Å; N166-E233 PolarHBondContact ND2-OE1 3.07Å
167	Q	84	Confident	89.9	Confident	108 Å²	108	55.4 Å²	55.4	51%	0.505	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.7	-173.7	-67.9	-165.1	-2.1	0	0	114.4	R171 N660	Q167-R171 PolarHBondContact O-NE 3.11Å; Q167-N660 PolarHBondContact OE1-ND2 2.76Å
168	F	84.3	Confident	89.8	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-55.9	177.1	164.9	-111	0	0	0	110.5	N166 K170 R171 I236 L237 F262 I622 L623 M656 L663	N166-F168 VanDerWaalsContact C-N 3.26Å; N166-F168 PolarHBondContact O-N 3.41Å; N166-F168 WeakPolarHBondContact OD1-CB 3.35Å; N166-F168 PolarHBondContact OD1-N 2.92Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 2.69Å; F168-R171 PolarHBondContact O-N 2.59Å; F168-I236 HydrophobicContact CE1-CD1 4.4Å; F168-L237 HydrophobicContact CE1-CD2 3.86Å; F168-L237 HydrophobicContact CE1-CG 4.48Å; F168-L237 HydrophobicContact CE2-CD2 4.05Å; F168-L237 HydrophobicContact CZ-CD2 3.44Å; F168-L237 VanDerWaalsContact CZ-CD2 3.44Å; F168-L237 HydrophobicContact CZ-CG 4.42Å; F168-F262 HydrophobicContact CE1-CZ 4.15Å; F168-F262 HydrophobicContact CZ-CZ 4.2Å; F168-I622 HydrophobicContact CD2-CG2 4.18Å; F168-I622 HydrophobicContact CE2-CG2 3.99Å; F168-I622 VanDerWaalsContact CE2-O 3.23Å; F168-I622 WeakPolarHBondContact CE2-O 3.41Å; F168-L623 HydrophobicContact CE2-CD2 4.31Å; F168-M656 HydrophobicContact CB-CE 4Å; F168-L663 HydrophobicContact CD2-CD1 4.32Å
169	L	87.9	Confident	89.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.1	-30.3	-171.1	-61.6	174	0	0	0	113.9	L163 N166 R171 L172 I177 M180 I205 T230 I236 F262	L163-L169 HydrophobicContact CB-CD1 4.34Å; L163-L169 HydrophobicContact CD2-CD1 3.59Å; L163-L169 WeakPolarHBondContact O-CB 3.42Å; N166-L169 HydrophobicContact CB-CB 4.15Å; N166-L169 HydrophobicContact CB-CD1 4.12Å; N166-L169 HydrophobicContact CB-CG 4.26Å; N166-L169 PolarHBondContact OD1-N 3.46Å; N166-L169 VanDerWaalsContact OD1-N 3.1Å; L169-R171 PolarHBondContact O-N 2.79Å; L169-L172 HydrophobicContact CB-CD1 4.48Å; L169-L172 HydrophobicContact CD2-CD1 3.67Å; L169-L172 WeakPolarHBondContact O-CB 3.25Å; L169-L172 WeakPolarHBondContact O-CG 3.3Å; L169-L172 PolarHBondContact O-N 2.77Å; L169-I177 HydrophobicContact CB-CD1 4.42Å; L169-M180 HydrophobicContact CD1-CE 4.46Å; L169-M180 HydrophobicContact CD2-CE 4.02Å; L169-I205 HydrophobicContact CD1-CD1 3.72Å; L169-T230 HydrophobicContact CD1-CG2 3.89Å; L169-I236 HydrophobicContact CD2-CD1 4.13Å; L169-F262 HydrophobicContact CD2-CE2 4.28Å
170	K	88.4	Confident	89.4	Confident	115 Å²	115	52.1 Å²	52.1	50%	0.5	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.6	-11.9	177.5	74.6	-177.8	-174.8	172.5	0	114.9	N164 N166 F168	N164-K170 VanDerWaalsContact O-CB 3.24Å; N164-K170 WeakPolarHBondContact O-CB 3.44Å; N166-K170 VanDerWaalsContact O-CB 3.3Å; N166-K170 WeakPolarHBondContact O-CB 3.39Å; N166-K170 VanDerWaalsContact O-CG 3.27Å; N166-K170 WeakPolarHBondContact O-CG 3.43Å; N166-K170 PolarHBondContact O-N 3.39Å; N166-K170 VanDerWaalsContact O-N 3.12Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 2.69Å
171	R	85.5	Confident	89.4	Confident	103 Å²	103	50.5 Å²	50.5	39%	0.389	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.8	-3.8	179.2	-58.9	179	-176.4	-113.1	11.1	112.9	Q167 F168 L169 L623 L663	Q167-R171 PolarHBondContact O-NE 3.11Å; F168-R171 PolarHBondContact O-N 2.59Å; L169-R171 PolarHBondContact O-N 2.79Å; R171-L623 HydrophobicContact CB-CD2 3.89Å; R171-L663 PolarHBondContact NH1-O 3.24Å
172	L	84.9	Confident	89.3	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.084	23%	0.234	C	C	.	.	S	Bend	trans	-78.9	158.7	177.3	-58.7	179.6	0	0	0	110.6	L169 I177 M180 F262 M266	L169-L172 HydrophobicContact CB-CD1 4.48Å; L169-L172 HydrophobicContact CD2-CD1 3.67Å; L169-L172 WeakPolarHBondContact O-CB 3.25Å; L169-L172 WeakPolarHBondContact O-CG 3.3Å; L169-L172 PolarHBondContact O-N 2.77Å; L172-I177 HydrophobicContact CB-CD1 4.1Å; L172-I177 HydrophobicContact CB-CG1 4.31Å; L172-I177 HydrophobicContact CD1-CD1 4.24Å; L172-M180 HydrophobicContact CD1-SD 4.04Å; L172-F262 HydrophobicContact CD1-CE2 3.96Å; L172-F262 HydrophobicContact CD1-CZ 4.38Å; L172-M266 HydrophobicContact CD1-CE 3.91Å; L172-M266 HydrophobicContact CD1-SD 4.15Å; L172-M266 HydrophobicContact CD2-SD 4.03Å
173	D	83.2	Confident	89.2	Confident	62 Å²	62	49.1 Å²	49.1	33%	0.332	24%	0.235	S	C	.	.			trans	-62.8	140.4	177.8	179.1	-83.9	0	0	0	110.7	Q175 Q176 I177	D173-Q175 PolarHBondContact O-N 3.05Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.38Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.4Å; D173-Q175 PolarHBondContact OD1-N 2.89Å; D173-Q176 HydrophobicContact CB-CB 4.32Å; D173-Q176 HydrophobicContact CB-CG 3.91Å; D173-Q176 WeakPolarHBondContact O-CA 3.43Å; D173-Q176 VanDerWaalsContact O-CB 3.29Å; D173-Q176 WeakPolarHBondContact O-CB 3.49Å; D173-Q176 PolarHBondContact O-N 3Å; D173-I177 PolarHBondContact O-N 3.04Å
174	P	86.4	Confident	89.2	Confident	105 Å²	105	49.1 Å²	49.1	68%	0.682	24%	0.235	S	C	*	.	H	α-helix	trans	-55.6	-34.6	-179.1	-27.5	35.6	0	0	0	114.1	I177 K178	P174-I177 PolarHBondContact O-N 2.97Å; P174-K178 PolarHBondContact O-N 3.16Å
175	Q	85.8	Confident	89.2	Confident	80 Å²	80	48.3 Å²	48.3	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-69.2	-37	176.1	-174.8	53.6	52.4	0	0	110.9	D173 K178 D179	D173-Q175 PolarHBondContact O-N 3.05Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.38Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.4Å; D173-Q175 PolarHBondContact OD1-N 2.89Å; Q175-K178 PolarHBondContact O-N 3.39Å; Q175-D179 VanDerWaalsContact NE2-CG 3.26Å; Q175-D179 PolarHBondContact NE2-OD1 3.5Å; Q175-D179 PolarHBondContact NE2-OD2 2.89Å; Q175-D179 VanDerWaalsContact NE2-OD2 3.09Å; Q175-D179 WeakPolarHBondContact O-CB 3.32Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 3.43Å
176	Q	89.3	Confident	89.3	Confident	18 Å²	18	43 Å²	43	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-43.4	172.8	-66.8	171.9	-31.9	0	0	111.6	D173 D179 M180 I265 M266 T269	D173-Q176 HydrophobicContact CB-CB 4.32Å; D173-Q176 HydrophobicContact CB-CG 3.91Å; D173-Q176 WeakPolarHBondContact O-CA 3.43Å; D173-Q176 VanDerWaalsContact O-CB 3.29Å; D173-Q176 WeakPolarHBondContact O-CB 3.49Å; D173-Q176 PolarHBondContact O-N 3Å; Q176-D179 PolarHBondContact O-N 2.72Å; Q176-M180 VanDerWaalsContact O-CG 3.26Å; Q176-M180 WeakPolarHBondContact O-CG 3.29Å; Q176-M180 PolarHBondContact O-N 3.32Å; Q176-I265 HydrophobicContact CB-CG2 4.37Å; Q176-M266 HydrophobicContact CB-CE 3.85Å; Q176-M266 HydrophobicContact CB-SD 4.32Å; Q176-M266 VanDerWaalsContact CD-SD 3.56Å; Q176-M266 HydrophobicContact CG-CE 4.26Å; Q176-M266 HydrophobicContact CG-SD 4.2Å; Q176-T269 HydrophobicContact CG-CG2 4.02Å
177	I	91.7	Very high	89.6	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-46.8	176.3	-65.1	-64.3	0	0	0	110.5	T160 L163 L169 L172 D173 P174 D179 M180 V181	T160-I177 HydrophobicContact CG2-CG2 4.14Å; L163-I177 HydrophobicContact CB-CD1 4.32Å; L163-I177 HydrophobicContact CB-CG2 4.44Å; L163-I177 HydrophobicContact CD1-CG2 4.15Å; L169-I177 HydrophobicContact CB-CD1 4.42Å; L172-I177 HydrophobicContact CB-CD1 4.1Å; L172-I177 HydrophobicContact CB-CG1 4.31Å; L172-I177 HydrophobicContact CD1-CD1 4.24Å; D173-I177 PolarHBondContact O-N 3.04Å; P174-I177 PolarHBondContact O-N 2.97Å; I177-D179 VanDerWaalsContact C-N 3.3Å; I177-D179 PolarHBondContact O-N 3.28Å; I177-M180 HydrophobicContact CD1-SD 4.26Å; I177-M180 WeakPolarHBondContact O-CB 3.48Å; I177-M180 PolarHBondContact O-N 2.95Å; I177-V181 WeakPolarHBondContact O-CG2 3.47Å; I177-V181 PolarHBondContact O-N 3.14Å
178	K	90.6	Very high	90.2	Very high	116 Å²	116	46.4 Å²	46.4	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-56.6	-46.5	176.2	-175.8	179.4	177.6	-177.2	0	111.4	P174 Q175 M180 V181 E182	P174-K178 PolarHBondContact O-N 3.16Å; Q175-K178 PolarHBondContact O-N 3.39Å; K178-M180 VanDerWaalsContact C-N 3.34Å; K178-M180 PolarHBondContact O-N 3.16Å; K178-V181 PolarHBondContact O-N 3.39Å; K178-E182 WeakPolarHBondContact O-CG 3.09Å; K178-E182 PolarHBondContact O-N 3.21Å
179	D	90.4	Very high	90.8	Very high	19 Å²	19	48 Å²	48	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-37.3	-180	-72.6	-28.4	0	0	0	112.3	F144 Q175 Q176 I177 E182 C183 I265	F144-D179 HydrophobicContact CE2-CB 3.76Å; F144-D179 HydrophobicContact CZ-CB 3.5Å; F144-D179 WeakPolarHBondContact CZ-O 3.2Å; F144-D179 WeakPolarHBondContact CZ-OD1 3.4Å; Q175-D179 VanDerWaalsContact NE2-CG 3.26Å; Q175-D179 PolarHBondContact NE2-OD1 3.5Å; Q175-D179 PolarHBondContact NE2-OD2 2.89Å; Q175-D179 VanDerWaalsContact NE2-OD2 3.09Å; Q175-D179 WeakPolarHBondContact O-CB 3.32Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 3.43Å; Q176-D179 PolarHBondContact O-N 2.72Å; I177-D179 VanDerWaalsContact C-N 3.3Å; I177-D179 PolarHBondContact O-N 3.28Å; D179-E182 PolarHBondContact O-N 3.02Å; D179-C183 PolarHBondContact O-N 3.2Å; D179-C183 VanDerWaalsContact O-N 3.14Å; D179-I265 HydrophobicContact CB-CD1 4.35Å; D179-I265 HydrophobicContact CB-CG1 4.41Å; D179-I265 HydrophobicContact CB-CG2 3.79Å
180	M	92.6	Very high	91.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-48.3	171.2	-71.3	171.8	61.6	0	0	111.1	L163 L169 L172 Q176 I177 K178 E182 C183 M184 L257 F262 I265 M266	L163-M180 HydrophobicContact CD1-CB 4.4Å; L163-M180 HydrophobicContact CD1-CE 4.36Å; L163-M180 HydrophobicContact CD2-CE 4.26Å; L169-M180 HydrophobicContact CD1-CE 4.46Å; L169-M180 HydrophobicContact CD2-CE 4.02Å; L172-M180 HydrophobicContact CD1-SD 4.04Å; Q176-M180 VanDerWaalsContact O-CG 3.26Å; Q176-M180 WeakPolarHBondContact O-CG 3.29Å; Q176-M180 PolarHBondContact O-N 3.32Å; I177-M180 HydrophobicContact CD1-SD 4.26Å; I177-M180 WeakPolarHBondContact O-CB 3.48Å; I177-M180 PolarHBondContact O-N 2.95Å; K178-M180 VanDerWaalsContact C-N 3.34Å; K178-M180 PolarHBondContact O-N 3.16Å; M180-E182 VanDerWaalsContact C-N 3.31Å; M180-E182 PolarHBondContact O-N 2.95Å; M180-C183 PolarHBondContact O-N 2.53Å; M180-C183 VanDerWaalsContact O-N 3.09Å; M180-M184 WeakPolarHBondContact O-CG 3.48Å; M180-M184 PolarHBondContact O-N 3.48Å; M180-L257 HydrophobicContact CB-CD2 4.03Å; M180-L257 HydrophobicContact CE-CD2 3.77Å; M180-L257 HydrophobicContact CG-CD2 3.81Å; M180-F262 HydrophobicContact CE-CD2 3.92Å; M180-F262 HydrophobicContact CE-CE2 4.11Å; M180-F262 HydrophobicContact CG-CD2 4.47Å; M180-F262 HydrophobicContact SD-CD2 3.91Å; M180-F262 HydrophobicContact SD-CE2 3.94Å; M180-I265 HydrophobicContact CG-CD1 4.1Å; M180-M266 HydrophobicContact CG-CE 4.24Å; M180-M266 HydrophobicContact SD-CE 3.77Å
181	V	93.9	Very high	91.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-41.2	178.8	175.9	0	0	0	0	111.4	K151 K156 I159 L163 I177 K178 C183 M184	K151-V181 WeakPolarHBondContact CE-O 3.42Å; K151-V181 PolarHBondContact NZ-O 3.3Å; K156-V181 HydrophobicContact CB-CG1 4.01Å; K156-V181 HydrophobicContact CG-CG1 3.94Å; I159-V181 HydrophobicContact CB-CG1 4.19Å; I159-V181 HydrophobicContact CB-CG2 4.26Å; I159-V181 HydrophobicContact CD1-CG1 4.33Å; I159-V181 HydrophobicContact CG2-CB 4.38Å; I159-V181 HydrophobicContact CG2-CG1 4.19Å; I159-V181 HydrophobicContact CG2-CG2 3.72Å; L163-V181 HydrophobicContact CD1-CG2 3.71Å; I177-V181 WeakPolarHBondContact O-CG2 3.47Å; I177-V181 PolarHBondContact O-N 3.14Å; K178-V181 PolarHBondContact O-N 3.39Å; V181-C183 VanDerWaalsContact C-N 3.27Å; V181-C183 PolarHBondContact O-N 3.45Å; V181-M184 PolarHBondContact O-N 2.86Å
182	E	91.9	Very high	92	Very high	33 Å²	33	52 Å²	52	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-34.4	176.7	-66.8	-63.5	163.9	0	0	112.2	F144 R148 V149 K151 K156 K178 D179 M180	F144-E182 HydrophobicContact CE1-CB 4.36Å; F144-E182 HydrophobicContact CZ-CB 4.19Å; R148-E182 HydrophobicContact CG-CB 4.2Å; V149-E182 PolarHBondContact N-O 3.32Å; K151-E182 PolarHBondContact NZ-O 3.28Å; K156-E182 WeakPolarHBondContact CE-OE1 3.18Å; K156-E182 IonicContact NZ-OE1 3.4Å; K156-E182 PolarHBondContact NZ-OE1 2.86Å; K156-E182 IonicContact NZ-OE2 3.04Å; K156-E182 PolarHBondContact NZ-OE2 2.9Å; K178-E182 WeakPolarHBondContact O-CG 3.09Å; K178-E182 PolarHBondContact O-N 3.21Å; D179-E182 PolarHBondContact O-N 3.02Å; M180-E182 VanDerWaalsContact C-N 3.31Å; M180-E182 PolarHBondContact O-N 2.95Å
183	C	92.8	Very high	92.5	Very high	5 Å²	5	53 Å²	53	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-89.1	-14.3	-178.9	-71.9	0	0	0	0	115.7	F144 A147 D179 M180 V181 L257 V261 I265	F144-C183 WeakPolarHBondContact CE2-SG 3.24Å; A147-C183 WeakPolarHBondContact O-CA 3.36Å; D179-C183 PolarHBondContact O-N 3.2Å; D179-C183 VanDerWaalsContact O-N 3.14Å; M180-C183 PolarHBondContact O-N 2.53Å; M180-C183 VanDerWaalsContact O-N 3.09Å; V181-C183 VanDerWaalsContact C-N 3.27Å; V181-C183 PolarHBondContact O-N 3.45Å; C183-L257 HydrophobicContact CB-CD1 3.75Å; C183-V261 HydrophobicContact CB-CG1 3.67Å; C183-I265 HydrophobicContact CB-CD1 4.4Å
184	M	94.7	Very high	93	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.			trans	-62.1	145.1	178.2	-77.7	-172.5	96.8	0	0	111.8	V149 K151 I159 M180 V181 V207 W255 A256 L257	V149-M184 WeakPolarHBondContact CB-O 3.39Å; K151-M184 WeakPolarHBondContact CE-O 3.27Å; K151-M184 PolarHBondContact NZ-O 3.46Å; I159-M184 HydrophobicContact CG2-SD 3.41Å; I159-M184 WeakPolarHBondContact CG2-SD 3.38Å; M180-M184 WeakPolarHBondContact O-CG 3.48Å; M180-M184 PolarHBondContact O-N 3.48Å; V181-M184 PolarHBondContact O-N 2.86Å; M184-V207 HydrophobicContact CE-CB 4.19Å; M184-V207 HydrophobicContact CE-CG2 3.8Å; M184-V207 HydrophobicContact SD-CG2 4.43Å; M184-W255 HydrophobicContact CB-CB 4.25Å; M184-W255 HydrophobicContact CB-CE3 4.33Å; M184-W255 HydrophobicContact CE-CB 3.6Å; M184-W255 WeakPolarHBondContact CE-O 3.31Å; M184-W255 HydrophobicContact SD-CB 4.17Å; M184-A256 CarbonylContact C-O 3.54Å; M184-A256 VanDerWaalsContact CA-O 3.24Å; M184-A256 WeakPolarHBondContact CA-O 3.36Å; M184-L257 HydrophobicContact CE-CB 4.47Å; M184-L257 HydrophobicContact CG-CB 3.94Å; M184-L257 HydrophobicContact CG-CD1 4.18Å
185	Y	94.2	Very high	93.4	Very high	56 Å²	56	50.8 Å²	50.8	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.5	-179.8	63.5	-85.2	0	0	0	112.5	R187 H204 W255 A256 D258	Y185-R187 HydrophobicContact CD2-CG 4.16Å; Y185-R187 HydrophobicContact CE2-CG 3.94Å; Y185-R187 VanDerWaalsContact CE2-NE 3.26Å; Y185-R187 PolarHBondContact OH-NE 3.35Å; Y185-R187 PolarHBondContact OH-NH2 2.94Å; Y185-H204 PolarHBondContact OH-CD2 3.23Å; Y185-W255 VanDerWaalsContact C-CE3 3.46Å; Y185-W255 CarbonylContact O-C 3.54Å; Y185-W255 WeakPolarHBondContact O-CA 3.18Å; Y185-A256 VanDerWaalsContact CD1-O 3.31Å; Y185-A256 WeakPolarHBondContact CD1-O 3.42Å; Y185-A256 HydrophobicContact CE1-CB 4.19Å; Y185-A256 HydrophobicContact CE2-CB 4.28Å; Y185-A256 PolarHBondContact N-O 2.98Å; Y185-A256 PolarHBondContact O-N 3.02Å; Y185-D258 WeakPolarHBondContact CE1-OD1 3.22Å; Y185-D258 WeakPolarHBondContact CE1-OD2 3.19Å; Y185-D258 PolarHBondContact OH-OD1 3.01Å
186	G	94.2	Very high	93.8	Very high	40 Å²	40	47.4 Å²	47.4	41%	0.412	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.3	-176.9	0	0	0	0	0	112.2	T254	G186-T254 CarbonylContact C-O 3.58Å; G186-T254 WeakPolarHBondContact CA-O 3.33Å
187	R	95.4	Very high	93.8	Very high	75 Å²	75	51 Å²	51	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	169.1	-69.2	-170.3	176.5	-163.7	-1.9	110.2	Y185 Y189 H204 K253 T254 A256	Y185-R187 HydrophobicContact CD2-CG 4.16Å; Y185-R187 HydrophobicContact CE2-CG 3.94Å; Y185-R187 VanDerWaalsContact CE2-NE 3.26Å; Y185-R187 PolarHBondContact OH-NE 3.35Å; Y185-R187 PolarHBondContact OH-NH2 2.94Å; R187-Y189 HydrophobicContact CB-CE2 3.74Å; R187-Y189 VanDerWaalsContact CD-OH 3.25Å; R187-Y189 WeakPolarHBondContact CD-OH 3.07Å; R187-H204 PolarHBondContact NH2-NE2 3.26Å; R187-K253 WeakPolarHBondContact O-CA 3.11Å; R187-T254 PolarHBondContact N-O 3.19Å; R187-T254 PolarHBondContact O-N 3.23Å; R187-T254 PolarHBondContact O-OG1 3.27Å; R187-A256 HydrophobicContact CG-CB 4.36Å
188	N	96.3	Very high	93.7	Very high	121 Å²	121	54.7 Å²	54.7	65%	0.647	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.1	179	-61.8	-46.5	0	0	0	110.2	V252 K253	N188-V252 CarbonylContact C-O 3.5Å; N188-V252 WeakPolarHBondContact CA-O 3.42Å; N188-K253 WeakPolarHBondContact OD1-CG 3.47Å
189	Y	96.4	Very high	93.3	Very high	34 Å²	34	51.4 Å²	51.4	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.4	-178.1	-64	-83.9	0	0	0	109.5	R187 S193 I195 N251 V252 T254	R187-Y189 HydrophobicContact CB-CE2 3.74Å; R187-Y189 VanDerWaalsContact CD-OH 3.25Å; R187-Y189 WeakPolarHBondContact CD-OH 3.07Å; Y189-S193 WeakPolarHBondContact CB-OG 3.47Å; Y189-I195 HydrophobicContact CD1-CG1 3.9Å; Y189-I195 HydrophobicContact CD2-CG1 3.8Å; Y189-I195 HydrophobicContact CE1-CB 4.39Å; Y189-I195 HydrophobicContact CE1-CG1 4.09Å; Y189-I195 HydrophobicContact CE1-CG2 4.27Å; Y189-I195 HydrophobicContact CE2-CG1 3.98Å; Y189-I195 HydrophobicContact CE2-CG2 3.96Å; Y189-I195 HydrophobicContact CG-CG1 3.75Å; Y189-N251 WeakPolarHBondContact O-CA 3.39Å; Y189-V252 HydrophobicContact CD2-CG1 4.49Å; Y189-V252 PolarHBondContact N-O 2.91Å; Y189-V252 PolarHBondContact O-N 3.47Å; Y189-T254 HydrophobicContact CD2-CG2 4.24Å; Y189-T254 HydrophobicContact CE2-CG2 4.12Å; Y189-T254 WeakPolarHBondContact CE2-OG1 3.33Å
190	Q	97	Very high	92.9	Very high	128 Å²	128	55 Å²	55	60%	0.598	29%	0.288	S	S	*	.			trans	-78.4	153.2	175.7	-61.5	-60.3	-46.5	0	0	110.4	G192 S193 A248 N251	Q190-G192 PolarHBondContact O-N 3.39Å; Q190-S193 VanDerWaalsContact O-CB 3.28Å; Q190-S193 WeakPolarHBondContact O-CB 3.46Å; Q190-S193 PolarHBondContact O-N 2.74Å; Q190-S193 VanDerWaalsContact O-N 3.11Å; Q190-S193 PolarHBondContact O-OG 3.21Å; Q190-A248 WeakPolarHBondContact O-CB 3.39Å; Q190-N251 WeakPolarHBondContact CA-OD1 3.3Å; Q190-N251 PolarHBondContact OE1-OD1 3.37Å
191	Q	96.6	Very high	92.1	Very high	139 Å²	139	59.1 Å²	59.1	65%	0.65	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	137.1	171.5	174.9	170.9	10.7	0	0	111.6	S193 I249 N251	Q191-S193 VanDerWaalsContact C-N 3.26Å; Q191-S193 PolarHBondContact O-N 3.38Å; Q191-I249 VanDerWaalsContact CD-O 3.31Å; Q191-I249 VanDerWaalsContact CG-O 3.26Å; Q191-I249 WeakPolarHBondContact CG-O 3.42Å; Q191-I249 PolarHBondContact NE2-O 3.06Å; Q191-I249 VanDerWaalsContact NE2-O 3.14Å; Q191-N251 PolarHBondContact N-OD1 3.31Å
192	G	93.6	Very high	91.4	Very high	35 Å²	35	59 Å²	59	36%	0.361	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-13.3	-179.6	0	0	0	0	0	114.7	Q190 K247 A248	Q190-G192 PolarHBondContact O-N 3.39Å; G192-K247 VanDerWaalsContact O-CE 3.23Å; G192-K247 WeakPolarHBondContact O-CE 3.39Å; G192-A248 WeakPolarHBondContact CA-O 3.44Å; G192-A248 PolarHBondContact N-O 2.96Å
193	S	96.3	Very high	91	Very high	37 Å²	37	60.8 Å²	60.8	26%	0.259	33%	0.325	S	S	.	.			trans	-74.4	154.9	179.3	68.6	0	0	0	0	112.7	Y189 Q190 Q191 A248	Y189-S193 WeakPolarHBondContact CB-OG 3.47Å; Q190-S193 VanDerWaalsContact O-CB 3.28Å; Q190-S193 WeakPolarHBondContact O-CB 3.46Å; Q190-S193 PolarHBondContact O-N 2.74Å; Q190-S193 VanDerWaalsContact O-N 3.11Å; Q190-S193 PolarHBondContact O-OG 3.21Å; Q191-S193 VanDerWaalsContact C-N 3.26Å; Q191-S193 PolarHBondContact O-N 3.38Å; S193-A248 WeakPolarHBondContact O-CB 3.48Å; S193-A248 PolarHBondContact O-N 3Å
194	Y	93.6	Very high	90.8	Very high	102 Å²	102	62.4 Å²	62.4	40%	0.4	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.7	174.3	-72	-92.9	0	0	0	109.7	K197 K247	Y194-K197 HydrophobicContact CD1-CG 4.15Å; Y194-K197 HydrophobicContact CG-CG 3.89Å; Y194-K247 HydrophobicContact CD1-CB 4.11Å; Y194-K247 HydrophobicContact CD1-CG 4.37Å; Y194-K247 HydrophobicContact CE1-CB 4Å; Y194-K247 HydrophobicContact CE1-CD 4.19Å; Y194-K247 HydrophobicContact CE1-CG 4.18Å; Y194-K247 HydrophobicContact CE2-CD 4.31Å; Y194-K247 HydrophobicContact CE2-CG 4.47Å
195	I	94.3	Very high	90.7	Very high	19 Å²	19	62.4 Å²	62.4	10%	0.097	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-37.4	171.6	-56.1	96.4	0	0	0	109.7	Y189 F206 L213 F231 V246 A248	Y189-I195 HydrophobicContact CD1-CG1 3.9Å; Y189-I195 HydrophobicContact CD2-CG1 3.8Å; Y189-I195 HydrophobicContact CE1-CB 4.39Å; Y189-I195 HydrophobicContact CE1-CG1 4.09Å; Y189-I195 HydrophobicContact CE1-CG2 4.27Å; Y189-I195 HydrophobicContact CE2-CG1 3.98Å; Y189-I195 HydrophobicContact CE2-CG2 3.96Å; Y189-I195 HydrophobicContact CG-CG1 3.75Å; I195-F206 HydrophobicContact CG2-CD1 4.36Å; I195-F206 HydrophobicContact CG2-CD2 4.32Å; I195-F206 HydrophobicContact CG2-CE1 4.17Å; I195-F206 HydrophobicContact CG2-CE2 4.11Å; I195-F206 HydrophobicContact CG2-CG 4.43Å; I195-F206 HydrophobicContact CG2-CZ 4.03Å; I195-L213 HydrophobicContact CD1-CD1 4.28Å; I195-L213 HydrophobicContact CD1-CD2 3.23Å; I195-L213 HydrophobicContact CD1-CG 4.37Å; I195-L213 HydrophobicContact CG1-CD2 4.38Å; I195-F231 HydrophobicContact CG2-CE2 4.1Å; I195-F231 HydrophobicContact CG2-CZ 4.23Å; I195-V246 HydrophobicContact CD1-CG1 4.28Å; I195-V246 PolarHBondContact N-O 3.07Å; I195-A248 HydrophobicContact CD1-CB 4.01Å
196	I	93.2	Very high	90.7	Very high	9 Å²	9	60 Å²	60	5%	0.046	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135	177	-65.1	178.7	0	0	0	106.7	F206 F231 R242 A244 S245 V246	I196-F206 HydrophobicContact CD1-CD2 4.2Å; I196-F206 HydrophobicContact CD1-CE2 4.18Å; I196-F206 HydrophobicContact CG1-CE2 4.1Å; I196-F231 HydrophobicContact CD1-CD2 3.8Å; I196-F231 HydrophobicContact CD1-CE2 3.92Å; I196-R242 HydrophobicContact CG2-CB 3.65Å; I196-R242 VanDerWaalsContact CG2-CD 3.41Å; I196-R242 HydrophobicContact CG2-CG 3.5Å; I196-A244 VanDerWaalsContact CG2-O 3.27Å; I196-A244 WeakPolarHBondContact CG2-O 3.28Å; I196-S245 CarbonylContact O-C 3.51Å; I196-S245 WeakPolarHBondContact O-CA 3.26Å; I196-V246 HydrophobicContact CB-CB 3.96Å; I196-V246 HydrophobicContact CB-CG2 3.95Å; I196-V246 HydrophobicContact CD1-CG2 3.99Å; I196-V246 HydrophobicContact CG1-CB 4.41Å; I196-V246 HydrophobicContact CG1-CG2 4.34Å; I196-V246 PolarHBondContact N-O 3.19Å; I196-V246 PolarHBondContact O-N 3.49Å
197	K	90.6	Very high	90.8	Very high	93 Å²	93	58 Å²	58	40%	0.404	30%	0.303	S	S	.	.			trans	-115.7	136.5	168.6	-62.7	-179.7	-175.1	169.2	0	110	Y194 G199 E200 R242	Y194-K197 HydrophobicContact CD1-CG 4.15Å; Y194-K197 HydrophobicContact CG-CG 3.89Å; K197-G199 PolarHBondContact O-N 3.16Å; K197-E200 HydrophobicContact CB-CG 4.01Å; K197-E200 WeakPolarHBondContact CD-OE1 3.44Å; K197-E200 PolarHBondContact O-N 3.11Å; K197-R242 VanDerWaalsContact O-CB 3.24Å; K197-R242 WeakPolarHBondContact O-CB 3.32Å
198	Q	88.6	Confident	90.9	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	137.4	174.7	-176.9	178.1	-4.3	0	0	110.5	E200 R242 S245	Q198-E200 VanDerWaalsContact C-N 3.27Å; Q198-E200 PolarHBondContact O-N 3.39Å; Q198-R242 CarbonylContact C-O 3.5Å; Q198-R242 WeakPolarHBondContact CA-O 3.16Å; Q198-S245 WeakPolarHBondContact CB-OG 3.39Å; Q198-S245 PolarHBondContact N-OG 3.37Å
199	G	82.1	Confident	90.8	Very high	48 Å²	48	48.9 Å²	48.9	50%	0.495	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-18.1	-179.8	0	0	0	0	0	114.8	K197 R242	K197-G199 PolarHBondContact O-N 3.16Å; G199-R242 PolarHBondContact N-O 3.4Å
200	E	82.4	Confident	90.8	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	28%	0.277	S	S	.	.	S	Bend	trans	-74.7	149.3	176.2	-69	-175.2	165.4	0	0	111.3	K197 Q198 G202 T241 R242	K197-E200 HydrophobicContact CB-CG 4.01Å; K197-E200 WeakPolarHBondContact CD-OE1 3.44Å; K197-E200 PolarHBondContact O-N 3.11Å; Q198-E200 VanDerWaalsContact C-N 3.27Å; Q198-E200 PolarHBondContact O-N 3.39Å; E200-G202 PolarHBondContact O-N 3.01Å; E200-T241 CarbonylContact O-C 3.44Å; E200-T241 WeakPolarHBondContact O-CA 3.47Å; E200-R242 WeakPolarHBondContact O-CG 3.4Å; E200-R242 PolarHBondContact O-N 3.09Å
201	P	77.1	Confident	90.7	Very high	87 Å²	87	47.4 Å²	47.4	57%	0.565	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-64.6	123.2	170.4	26.7	-32.4	0	0	0	109.6
202	G	78.1	Confident	90.6	Very high	1 Å²	1	47 Å²	47	1%	0.01	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-80.9	144.7	170.5	0	0	0	0	0	110.3	E200 C240 R259	E200-G202 PolarHBondContact O-N 3.01Å; G202-C240 PolarHBondContact N-O 3.38Å; G202-C240 VanDerWaalsContact N-O 3.08Å; G202-R259 PolarHBondContact O-NH2 3.4Å
203	N	83.2	Confident	90.8	Very high	71 Å²	71	45.3 Å²	45.3	38%	0.38	24%	0.236	S	C	.	.			trans	-137.4	6.6	171.5	-73.2	-34.5	0	0	0	113.3	R259	N203-R259 PolarHBondContact O-N 2.89Å; N203-R259 PolarHBondContact OD1-NH1 3.28Å; N203-R259 VanDerWaalsContact OD1-NH1 3.11Å; N203-R259 PolarHBondContact OD1-NH2 3.34Å
204	H	88.3	Confident	90.8	Very high	39 Å²	39	44.9 Å²	44.9	18%	0.181	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.7	-169.8	-49.9	75.6	0	0	0	110.4	Y185 R187 F206 R242 L257 D258	Y185-H204 PolarHBondContact OH-CD2 3.23Å; R187-H204 PolarHBondContact NH2-NE2 3.26Å; H204-F206 HydrophobicContact CB-CE1 4.2Å; H204-F206 HydrophobicContact CB-CE2 3.85Å; H204-F206 HydrophobicContact CB-CZ 3.62Å; H204-R242 PolarHBondContact O-NH1 3.15Å; H204-R242 PolarHBondContact O-NH2 3.01Å; H204-L257 VanDerWaalsContact CA-O 3.27Å; H204-L257 WeakPolarHBondContact CA-O 3.39Å; H204-D258 IonicContact CD2-OD1 2.65Å; H204-D258 PolarHBondContact CD2-OD1 2.99Å; H204-D258 IonicContact NE2-OD1 2.86Å; H204-D258 PolarHBondContact NE2-OD1 3.23Å
205	I	92.9	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	151.2	160.9	-170.7	171	0	0	0	109	L169 T230 E233 I236 A256 L257	L169-I205 HydrophobicContact CD1-CD1 3.72Å; I205-T230 HydrophobicContact CD1-CG2 3.39Å; I205-T230 HydrophobicContact CG1-CG2 3.67Å; I205-E233 HydrophobicContact CD1-CB 3.68Å; I205-E233 HydrophobicContact CG1-CB 4.31Å; I205-I236 HydrophobicContact CB-CD1 4.33Å; I205-I236 HydrophobicContact CB-CG1 4.28Å; I205-I236 HydrophobicContact CB-CG2 3.58Å; I205-I236 HydrophobicContact CD1-CD1 3.74Å; I205-I236 HydrophobicContact CD1-CG1 4.26Å; I205-I236 HydrophobicContact CG2-CD1 4.25Å; I205-I236 HydrophobicContact CG2-CG2 3.6Å; I205-A256 CarbonylContact O-C 3.53Å; I205-A256 WeakPolarHBondContact O-CA 3.4Å; I205-L257 HydrophobicContact CG2-CB 3.67Å; I205-L257 HydrophobicContact CG2-CD2 4.46Å; I205-L257 PolarHBondContact N-O 2.86Å; I205-L257 PolarHBondContact O-N 3.36Å
206	F	94.8	Very high	90.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.8	-178.6	-58.1	-84.7	0	0	0	112.1	I195 I196 H204 T230 F231 W255 A256	I195-F206 HydrophobicContact CG2-CD1 4.36Å; I195-F206 HydrophobicContact CG2-CD2 4.32Å; I195-F206 HydrophobicContact CG2-CE1 4.17Å; I195-F206 HydrophobicContact CG2-CE2 4.11Å; I195-F206 HydrophobicContact CG2-CG 4.43Å; I195-F206 HydrophobicContact CG2-CZ 4.03Å; I196-F206 HydrophobicContact CD1-CD2 4.2Å; I196-F206 HydrophobicContact CD1-CE2 4.18Å; I196-F206 HydrophobicContact CG1-CE2 4.1Å; H204-F206 HydrophobicContact CB-CE1 4.2Å; H204-F206 HydrophobicContact CB-CE2 3.85Å; H204-F206 HydrophobicContact CB-CZ 3.62Å; F206-T230 CarbonylContact O-C 3.53Å; F206-T230 VanDerWaalsContact O-CA 3.31Å; F206-T230 WeakPolarHBondContact O-CA 3.42Å; F206-F231 HydrophobicContact CB-CD1 3.93Å; F206-F231 HydrophobicContact CB-CD2 4.12Å; F206-F231 HydrophobicContact CB-CE1 3.43Å; F206-F231 VanDerWaalsContact CB-CE1 3.43Å; F206-F231 HydrophobicContact CB-CE2 3.64Å; F206-F231 HydrophobicContact CB-CG 4.26Å; F206-F231 HydrophobicContact CB-CZ 3.27Å; F206-F231 HydrophobicContact CD2-CD2 4.22Å; F206-F231 AromaticContact CD2-CE2 3.71Å; F206-F231 HydrophobicContact CD2-CE2 3.71Å; F206-F231 HydrophobicContact CD2-CZ 4.15Å; F206-F231 HydrophobicContact CG-CE1 4.45Å; F206-F231 AromaticContact CG-CE2 3.9Å; F206-F231 HydrophobicContact CG-CE2 3.9Å; F206-F231 AromaticContact CG-CZ 3.83Å; F206-F231 HydrophobicContact CG-CZ 3.83Å; F206-F231 PolarHBondContact N-O 3.33Å; F206-F231 PolarHBondContact O-N 3.09Å; F206-W255 CarbonylContact C-O 3.57Å; F206-W255 WeakPolarHBondContact CA-O 3.48Å; F206-A256 HydrophobicContact CD1-CB 3.7Å; F206-A256 HydrophobicContact CE1-CB 3.68Å
207	V	96.6	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.8	163.2	172.9	0	0	0	0	107.7	A162 L163 M184 A209 W228 T254 W255	A162-V207 HydrophobicContact CB-CG1 3.58Å; A162-V207 HydrophobicContact CB-CG2 4.21Å; L163-V207 HydrophobicContact CD2-CG2 4.03Å; M184-V207 HydrophobicContact CE-CB 4.19Å; M184-V207 HydrophobicContact CE-CG2 3.8Å; M184-V207 HydrophobicContact SD-CG2 4.43Å; V207-A209 PolarHBondContact O-N 3.44Å; V207-W228 HydrophobicContact CG1-CE3 4.18Å; V207-T254 CarbonylContact O-C 3.58Å; V207-T254 VanDerWaalsContact O-CA 3.23Å; V207-T254 WeakPolarHBondContact O-CA 3.27Å; V207-T254 WeakPolarHBondContact O-CB 3.49Å; V207-W255 HydrophobicContact CB-CB 4.3Å; V207-W255 PolarHBondContact N-O 3.07Å; V207-W255 PolarHBondContact O-N 2.64Å
208	L	96.6	Very high	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.8	175.7	178.4	57.6	0	0	0	109.7	E210 L213 I225 W228 T229 F231 V252 T254	L208-E210 VanDerWaalsContact CD1-O 3.29Å; L208-E210 WeakPolarHBondContact CD1-O 3.44Å; L208-L213 HydrophobicContact CB-CD1 4.47Å; L208-L213 HydrophobicContact CD1-CD1 3.85Å; L208-L213 HydrophobicContact CD1-CG 3.97Å; L208-L213 HydrophobicContact CD2-CB 4.36Å; L208-L213 HydrophobicContact CD2-CD1 4.13Å; L208-L213 HydrophobicContact CD2-CG 4.02Å; L208-L213 HydrophobicContact CG-CD1 4.38Å; L208-I225 HydrophobicContact CD2-CB 4.44Å; L208-I225 HydrophobicContact CD2-CG2 4.29Å; L208-I225 WeakPolarHBondContact CD2-O 3.16Å; L208-W228 VanDerWaalsContact O-CA 3.26Å; L208-W228 WeakPolarHBondContact O-CA 3.31Å; L208-W228 PolarHBondContact O-N 2.84Å; L208-T229 PolarHBondContact N-O 3.44Å; L208-T229 VanDerWaalsContact N-O 3.13Å; L208-F231 HydrophobicContact CB-CE1 4.17Å; L208-V252 HydrophobicContact CD1-CG1 3.58Å; L208-T254 HydrophobicContact CD1-CG2 4.44Å
209	A	95.3	Very high	90.1	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-45.1	177.5	0	0	0	0	0	111.6	V207 W228 K253	V207-A209 PolarHBondContact O-N 3.44Å; A209-W228 HydrophobicContact CB-CH2 3.8Å; A209-W228 HydrophobicContact CB-CZ2 4.31Å; A209-W228 HydrophobicContact CB-CZ3 4.02Å; A209-K253 HydrophobicContact CB-CB 4.48Å; A209-K253 HydrophobicContact CB-CG 4.35Å; A209-K253 WeakPolarHBondContact CB-O 3.47Å; A209-K253 PolarHBondContact N-O 2.79Å
210	E	95.2	Very high	90.4	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.7	-176.6	-61.6	167.1	-151.4	0	0	110.7	L208 V252 K253	L208-E210 VanDerWaalsContact CD1-O 3.29Å; L208-E210 WeakPolarHBondContact CD1-O 3.44Å; E210-V252 VanDerWaalsContact O-CA 3.28Å; E210-V252 WeakPolarHBondContact O-CA 3.45Å; E210-K253 HydrophobicContact CB-CB 4.01Å; E210-K253 HydrophobicContact CG-CB 4.41Å; E210-K253 PolarHBondContact N-O 2.95Å; E210-K253 VanDerWaalsContact N-O 3.14Å; E210-K253 PolarHBondContact O-N 3.36Å; E210-K253 IonicContact OE1-NZ 2.74Å
211	G	95.2	Very high	90.9	Very high	26 Å²	26	54.3 Å²	54.3	27%	0.268	28%	0.281	S	S	.	.	S	Bend	trans	92.4	-174.3	177.6	0	0	0	0	0	114.3	T250	G211-T250 WeakPolarHBondContact CA-OG1 3.21Å
212	R	95.4	Very high	91.4	Very high	130 Å²	130	54.1 Å²	54.1	49%	0.491	27%	0.274	S	S	.	.			trans	-119.3	131.5	-177	-178	175.9	169.6	168	-3.4	111.5	E214 I249 T250	R212-E214 IonicContact CZ-OE1 3.19Å; R212-E214 IonicContact NE-OE1 2.78Å; R212-E214 PolarHBondContact NE-OE1 2.96Å; R212-E214 IonicContact NH2-OE1 2.76Å; R212-E214 PolarHBondContact NH2-OE1 3.34Å; R212-I249 HydrophobicContact CB-CB 4.32Å; R212-I249 HydrophobicContact CG-CB 4.21Å; R212-I249 PolarHBondContact O-N 3.09Å; R212-T250 HydrophobicContact CB-CG2 4.2Å; R212-T250 PolarHBondContact N-OG1 3.37Å
213	L	97.3	Very high	92.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.8	177.1	-64.8	-175.2	0	0	0	111.5	I195 L208 S224 I225 F231 V246 K247 A248 V252	I195-L213 HydrophobicContact CD1-CD1 4.28Å; I195-L213 HydrophobicContact CD1-CD2 3.23Å; I195-L213 HydrophobicContact CD1-CG 4.37Å; I195-L213 HydrophobicContact CG1-CD2 4.38Å; L208-L213 HydrophobicContact CB-CD1 4.47Å; L208-L213 HydrophobicContact CD1-CD1 3.85Å; L208-L213 HydrophobicContact CD1-CG 3.97Å; L208-L213 HydrophobicContact CD2-CB 4.36Å; L208-L213 HydrophobicContact CD2-CD1 4.13Å; L208-L213 HydrophobicContact CD2-CG 4.02Å; L208-L213 HydrophobicContact CG-CD1 4.38Å; L213-S224 CarbonylContact O-C 3.54Å; L213-S224 VanDerWaalsContact O-CA 3.29Å; L213-S224 WeakPolarHBondContact O-CA 3.23Å; L213-I225 HydrophobicContact CB-CB 4.01Å; L213-I225 HydrophobicContact CB-CD1 4.15Å; L213-I225 HydrophobicContact CB-CG1 4.2Å; L213-I225 HydrophobicContact CD1-CD1 4.25Å; L213-I225 PolarHBondContact O-N 3.36Å; L213-F231 HydrophobicContact CD1-CE1 3.69Å; L213-F231 HydrophobicContact CD1-CE2 4.26Å; L213-F231 HydrophobicContact CD1-CZ 3.5Å; L213-V246 HydrophobicContact CB-CG1 4.03Å; L213-V246 HydrophobicContact CD1-CG1 3.94Å; L213-V246 HydrophobicContact CD2-CG1 4.39Å; L213-V246 HydrophobicContact CG-CG1 4.36Å; L213-K247 WeakPolarHBondContact CA-O 3.35Å; L213-A248 HydrophobicContact CD2-CB 4.21Å; L213-V252 HydrophobicContact CD1-CG1 4.45Å; L213-V252 HydrophobicContact CD2-CB 4.3Å; L213-V252 HydrophobicContact CD2-CG1 3.99Å; L213-V252 HydrophobicContact CD2-CG2 3.68Å; L213-V252 HydrophobicContact CG-CG1 4.32Å; L213-V252 HydrophobicContact CG-CG2 4.27Å
214	E	96.4	Very high	92.6	Very high	27 Å²	27	56.9 Å²	56.9	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.6	174.4	-76.1	177.9	-176.8	0	0	111.2	R212 F216 L221 S223 V246 K247 I249	R212-E214 IonicContact CZ-OE1 3.19Å; R212-E214 IonicContact NE-OE1 2.78Å; R212-E214 PolarHBondContact NE-OE1 2.96Å; R212-E214 IonicContact NH2-OE1 2.76Å; R212-E214 PolarHBondContact NH2-OE1 3.34Å; E214-F216 HydrophobicContact CB-CD2 4.44Å; E214-F216 HydrophobicContact CB-CE2 3.52Å; E214-F216 HydrophobicContact CB-CZ 3.87Å; E214-L221 HydrophobicContact CB-CD1 3.75Å; E214-L221 HydrophobicContact CG-CD1 4.06Å; E214-S223 WeakPolarHBondContact CA-O 3.47Å; E214-V246 WeakPolarHBondContact O-CA 3.21Å; E214-K247 PolarHBondContact N-O 3.07Å; E214-K247 PolarHBondContact O-N 3.06Å; E214-I249 HydrophobicContact CB-CD1 4.06Å; E214-I249 HydrophobicContact CB-CG1 3.94Å; E214-I249 HydrophobicContact CG-CD1 4.18Å; E214-I249 HydrophobicContact CG-CG1 3.69Å; E214-I249 WeakPolarHBondContact OE2-CD1 3.25Å
215	V	94.6	Very high	92.9	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.1	-175.5	-172.7	0	0	0	0	109.6	L222 S223 I225 A244 S245 V246	V215-L222 HydrophobicContact CB-CB 4.48Å; V215-L222 HydrophobicContact CG1-CB 4.45Å; V215-L222 HydrophobicContact CG1-CD1 4.35Å; V215-L222 PolarHBondContact O-N 3.17Å; V215-S223 PolarHBondContact N-O 3.04Å; V215-I225 HydrophobicContact CG2-CD1 3.81Å; V215-I225 HydrophobicContact CG2-CG1 3.64Å; V215-A244 HydrophobicContact CG1-CB 3.65Å; V215-S245 CarbonylContact C-O 3.53Å; V215-S245 WeakPolarHBondContact CA-O 3.42Å; V215-V246 HydrophobicContact CG2-CG2 4.27Å
216	F	91.3	Very high	92.9	Very high	39 Å²	39	59.8 Å²	59.8	17%	0.171	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	-177.5	-61	-93.7	0	0	0	111.1	E214 K220 L221 A244 S245 K247	E214-F216 HydrophobicContact CB-CD2 4.44Å; E214-F216 HydrophobicContact CB-CE2 3.52Å; E214-F216 HydrophobicContact CB-CZ 3.87Å; F216-K220 CarbonylContact C-O 3.6Å; F216-K220 VanDerWaalsContact CA-O 3.27Å; F216-K220 WeakPolarHBondContact CA-O 3.37Å; F216-L221 HydrophobicContact CD1-CB 4.19Å; F216-L221 HydrophobicContact CD1-CD1 4.22Å; F216-L221 HydrophobicContact CE1-CB 3.95Å; F216-L221 HydrophobicContact CE1-CD1 3.71Å; F216-L221 HydrophobicContact CE1-CG 4.4Å; F216-L221 HydrophobicContact CE2-CD1 4.23Å; F216-L221 HydrophobicContact CZ-CD1 3.71Å; F216-A244 CarbonylContact O-C 3.53Å; F216-A244 WeakPolarHBondContact O-CA 3.49Å; F216-A244 WeakPolarHBondContact O-CB 3.34Å; F216-S245 PolarHBondContact N-O 3.15Å; F216-S245 PolarHBondContact O-N 2.87Å; F216-K247 HydrophobicContact CD2-CB 4.18Å; F216-K247 HydrophobicContact CE2-CB 3.89Å; F216-K247 HydrophobicContact CE2-CD 4.46Å
217	Q	87.8	Confident	92.9	Very high	103 Å²	103	64.9 Å²	64.9	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113	166.9	-172.8	177	35.6	0	0	108.6	E219 K220 L222	Q217-E219 PolarHBondContact O-N 3.33Å; Q217-K220 PolarHBondContact N-O 3.05Å; Q217-K220 WeakPolarHBondContact O-CB 3.45Å; Q217-K220 PolarHBondContact O-N 3.07Å; Q217-K220 VanDerWaalsContact O-N 3.09Å; Q217-L222 HydrophobicContact CB-CD1 3.74Å; Q217-L222 HydrophobicContact CB-CD2 4.36Å; Q217-L222 HydrophobicContact CB-CG 4.1Å
218	G	84.9	Confident	92.8	Very high	52 Å²	52	67.7 Å²	67.7	54%	0.536	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-124.8	-160.2	0	0	0	0	0	110.2
219	E	85.8	Confident	92.6	Very high	198 Å²	198	70 Å²	70	93%	0.925	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.7	174.9	-59	-158.5	147	0	0	113.6	Q217	Q217-E219 PolarHBondContact O-N 3.33Å
220	K	89.8	Confident	92.6	Very high	146 Å²	146	70.3 Å²	70.3	64%	0.635	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.1	-177.2	-174.9	178.7	178.6	179.5	0	110.9	F216 Q217 L222	F216-K220 CarbonylContact C-O 3.6Å; F216-K220 VanDerWaalsContact CA-O 3.27Å; F216-K220 WeakPolarHBondContact CA-O 3.37Å; Q217-K220 PolarHBondContact N-O 3.05Å; Q217-K220 WeakPolarHBondContact O-CB 3.45Å; Q217-K220 PolarHBondContact O-N 3.07Å; Q217-K220 VanDerWaalsContact O-N 3.09Å; K220-L222 HydrophobicContact CD-CD2 4.33Å; K220-L222 HydrophobicContact CG-CD2 4.42Å; K220-L222 PolarHBondContact O-N 3.05Å
221	L	91.4	Very high	92.4	Very high	89 Å²	89	65.9 Å²	65.9	47%	0.466	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.2	167.3	179.4	66.8	0	0	0	109.6	E214 F216	E214-L221 HydrophobicContact CB-CD1 3.75Å; E214-L221 HydrophobicContact CG-CD1 4.06Å; F216-L221 HydrophobicContact CD1-CB 4.19Å; F216-L221 HydrophobicContact CD1-CD1 4.22Å; F216-L221 HydrophobicContact CE1-CB 3.95Å; F216-L221 HydrophobicContact CE1-CD1 3.71Å; F216-L221 HydrophobicContact CE1-CG 4.4Å; F216-L221 HydrophobicContact CE2-CD1 4.23Å; F216-L221 HydrophobicContact CZ-CD1 3.71Å
222	L	89.3	Confident	92.1	Very high	82 Å²	82	65.4 Å²	65.4	43%	0.429	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-49.5	177.8	-63.9	-175.4	0	0	0	111.8	V215 Q217 K220 A244	V215-L222 HydrophobicContact CB-CB 4.48Å; V215-L222 HydrophobicContact CG1-CB 4.45Å; V215-L222 HydrophobicContact CG1-CD1 4.35Å; V215-L222 PolarHBondContact O-N 3.17Å; Q217-L222 HydrophobicContact CB-CD1 3.74Å; Q217-L222 HydrophobicContact CB-CD2 4.36Å; Q217-L222 HydrophobicContact CB-CG 4.1Å; K220-L222 HydrophobicContact CD-CD2 4.33Å; K220-L222 HydrophobicContact CG-CD2 4.42Å; K220-L222 PolarHBondContact O-N 3.05Å; L222-A244 HydrophobicContact CD1-CB 4.48Å
223	S	92.2	Very high	91.6	Very high	63 Å²	63	61 Å²	61	44%	0.441	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	169	-176.5	64.2	0	0	0	0	112.5	E214 V215	E214-S223 WeakPolarHBondContact CA-O 3.47Å; V215-S223 PolarHBondContact N-O 3.04Å
224	S	93.9	Very high	90.8	Very high	68 Å²	68	61.9 Å²	61.9	48%	0.476	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.3	165.7	61	0	0	0	0	111	L213 P226	L213-S224 CarbonylContact O-C 3.54Å; L213-S224 VanDerWaalsContact O-CA 3.29Å; L213-S224 WeakPolarHBondContact O-CA 3.23Å; S224-P226 WeakPolarHBondContact O-CD 3.08Å
225	I	93.5	Very high	90	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.087	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.6	177.7	-51.2	-179.8	0	0	0	109.3	L208 L213 V215 T229 F231 V246	L208-I225 HydrophobicContact CD2-CB 4.44Å; L208-I225 HydrophobicContact CD2-CG2 4.29Å; L208-I225 WeakPolarHBondContact CD2-O 3.16Å; L213-I225 HydrophobicContact CB-CB 4.01Å; L213-I225 HydrophobicContact CB-CD1 4.15Å; L213-I225 HydrophobicContact CB-CG1 4.2Å; L213-I225 HydrophobicContact CD1-CD1 4.25Å; L213-I225 PolarHBondContact O-N 3.36Å; V215-I225 HydrophobicContact CG2-CD1 3.81Å; V215-I225 HydrophobicContact CG2-CG1 3.64Å; I225-T229 HydrophobicContact CG2-CG2 4.11Å; I225-F231 HydrophobicContact CD1-CB 3.9Å; I225-F231 HydrophobicContact CD1-CD1 4.02Å; I225-F231 HydrophobicContact CD1-CD2 3.98Å; I225-F231 HydrophobicContact CD1-CG 3.71Å; I225-F231 HydrophobicContact CG2-CD1 4.23Å; I225-V246 HydrophobicContact CD1-CG1 3.67Å; I225-V246 HydrophobicContact CD1-CG2 4.33Å
226	P	93.4	Very high	89.3	Confident	82 Å²	82	59.7 Å²	59.7	53%	0.532	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67.8	153.6	175.3	-16.7	30.4	0	0	0	112.2	S224 T229	S224-P226 WeakPolarHBondContact O-CD 3.08Å; P226-T229 WeakPolarHBondContact O-CB 3.3Å; P226-T229 PolarHBondContact O-N 2.96Å; P226-T229 PolarHBondContact O-OG1 2.92Å
227	M	94.5	Very high	88.5	Confident	112 Å²	112	58 Å²	58	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	148.1	171.3	-66.4	-172.9	-64.7	0	0	111.1	T229	M227-T229 PolarHBondContact O-N 3.44Å
228	W	94.2	Very high	87.6	Confident	59 Å²	59	53.2 Å²	53.2	22%	0.223	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	35.8	-175.9	-52.6	107.7	0	0	0	113.4	L158 I159 A162 V207 L208 A209	L158-W228 HydrophobicContact CB-CD2 3.94Å; L158-W228 HydrophobicContact CB-CE3 3.64Å; L158-W228 HydrophobicContact CB-CH2 3.81Å; L158-W228 HydrophobicContact CB-CZ2 4.13Å; L158-W228 HydrophobicContact CB-CZ3 3.56Å; L158-W228 HydrophobicContact CD1-CH2 3.81Å; L158-W228 HydrophobicContact CD1-CZ2 3.57Å; L158-W228 HydrophobicContact CD1-CZ3 4.44Å; L158-W228 HydrophobicContact CD2-CD2 4.45Å; L158-W228 HydrophobicContact CG-CH2 4.43Å; L158-W228 HydrophobicContact CG-CZ2 4.35Å; I159-W228 HydrophobicContact CG1-CZ3 4.36Å; A162-W228 HydrophobicContact CB-CB 4.41Å; A162-W228 WeakPolarHBondContact CB-O 3.48Å; V207-W228 HydrophobicContact CG1-CE3 4.18Å; L208-W228 VanDerWaalsContact O-CA 3.26Å; L208-W228 WeakPolarHBondContact O-CA 3.31Å; L208-W228 PolarHBondContact O-N 2.84Å; A209-W228 HydrophobicContact CB-CH2 3.8Å; A209-W228 HydrophobicContact CB-CZ2 4.31Å; A209-W228 HydrophobicContact CB-CZ3 4.02Å
229	T	93.6	Very high	86.9	Confident	48 Å²	48	55.2 Å²	55.2	29%	0.294	29%	0.293	S	S	.	.			trans	-111.8	137	173.1	-54.3	0	0	0	0	109.9	L208 I225 P226 M227	L208-T229 PolarHBondContact N-O 3.44Å; L208-T229 VanDerWaalsContact N-O 3.13Å; I225-T229 HydrophobicContact CG2-CG2 4.11Å; P226-T229 WeakPolarHBondContact O-CB 3.3Å; P226-T229 PolarHBondContact O-N 2.96Å; P226-T229 PolarHBondContact O-OG1 2.92Å; M227-T229 PolarHBondContact O-N 3.44Å
230	T	94.3	Very high	86.1	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.3	174.9	-57.3	0	0	0	0	110.3	A162 L163 L169 I205 F206	A162-T230 PolarHBondContact O-OG1 3.46Å; L163-T230 HydrophobicContact CD2-CG2 4.45Å; L169-T230 HydrophobicContact CD1-CG2 3.89Å; I205-T230 HydrophobicContact CD1-CG2 3.39Å; I205-T230 HydrophobicContact CG1-CG2 3.67Å; F206-T230 CarbonylContact O-C 3.53Å; F206-T230 VanDerWaalsContact O-CA 3.31Å; F206-T230 WeakPolarHBondContact O-CA 3.42Å
231	F	92.3	Very high	85.5	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.057	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.2	176.2	67	-84.4	0	0	0	113	I195 I196 F206 L208 L213 I225 V246 T254	I195-F231 HydrophobicContact CG2-CE2 4.1Å; I195-F231 HydrophobicContact CG2-CZ 4.23Å; I196-F231 HydrophobicContact CD1-CD2 3.8Å; I196-F231 HydrophobicContact CD1-CE2 3.92Å; F206-F231 HydrophobicContact CB-CD1 3.93Å; F206-F231 HydrophobicContact CB-CD2 4.12Å; F206-F231 HydrophobicContact CB-CE1 3.43Å; F206-F231 VanDerWaalsContact CB-CE1 3.43Å; F206-F231 HydrophobicContact CB-CE2 3.64Å; F206-F231 HydrophobicContact CB-CG 4.26Å; F206-F231 HydrophobicContact CB-CZ 3.27Å; F206-F231 HydrophobicContact CD2-CD2 4.22Å; F206-F231 AromaticContact CD2-CE2 3.71Å; F206-F231 HydrophobicContact CD2-CE2 3.71Å; F206-F231 HydrophobicContact CD2-CZ 4.15Å; F206-F231 HydrophobicContact CG-CE1 4.45Å; F206-F231 AromaticContact CG-CE2 3.9Å; F206-F231 HydrophobicContact CG-CE2 3.9Å; F206-F231 AromaticContact CG-CZ 3.83Å; F206-F231 HydrophobicContact CG-CZ 3.83Å; F206-F231 PolarHBondContact N-O 3.33Å; F206-F231 PolarHBondContact O-N 3.09Å; L208-F231 HydrophobicContact CB-CE1 4.17Å; L213-F231 HydrophobicContact CD1-CE1 3.69Å; L213-F231 HydrophobicContact CD1-CE2 4.26Å; L213-F231 HydrophobicContact CD1-CZ 3.5Å; I225-F231 HydrophobicContact CD1-CB 3.9Å; I225-F231 HydrophobicContact CD1-CD1 4.02Å; I225-F231 HydrophobicContact CD1-CD2 3.98Å; I225-F231 HydrophobicContact CD1-CG 3.71Å; I225-F231 HydrophobicContact CG2-CD1 4.23Å; F231-V246 HydrophobicContact CD2-CG1 4.46Å; F231-V246 HydrophobicContact CD2-CG2 4.35Å; F231-V246 HydrophobicContact CE2-CG1 4.12Å; F231-T254 HydrophobicContact CZ-CG2 4.26Å
232	G	87.9	Confident	85.1	Confident	15 Å²	15	40.8 Å²	40.8	16%	0.155	23%	0.232	C	C	.	.			trans	83.6	21.7	177	0	0	0	0	0	114	L234 A235 R242	G232-L234 PolarHBondContact O-N 3.38Å; G232-A235 WeakPolarHBondContact O-CB 3.36Å; G232-A235 PolarHBondContact O-N 2.81Å; G232-R242 VanDerWaalsContact CA-NH1 3.29Å; G232-R242 PolarHBondContact O-NH1 3.19Å
233	E	86.1	Confident	84.8	Confident	38 Å²	38	40.8 Å²	40.8	18%	0.178	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.7	-173.7	62.5	-93.1	-129.5	0	0	114.9	N166 I205 A235 I236 M656	N166-E233 PolarHBondContact ND2-OE1 3.07Å; I205-E233 HydrophobicContact CD1-CB 3.68Å; I205-E233 HydrophobicContact CG1-CB 4.31Å; E233-A235 PolarHBondContact O-N 3.35Å; E233-A235 VanDerWaalsContact O-N 3.15Å; E233-I236 WeakPolarHBondContact O-CG1 3.24Å; E233-I236 PolarHBondContact O-N 3.15Å; E233-M656 HydrophobicContact CG-CE 3.62Å; E233-M656 HydrophobicContact CG-CG 4.45Å; E233-M656 HydrophobicContact CG-SD 3.86Å
234	L	78.9	Confident	84.6	Confident	19 Å²	19	38.4 Å²	38.4	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-34.9	175.9	-77.7	173.1	0	0	0	112	G232 I236 L237 Y238 Q655 M656 Y659	G232-L234 PolarHBondContact O-N 3.38Å; L234-I236 PolarHBondContact O-N 2.65Å; L234-L237 PolarHBondContact O-N 2.82Å; L234-L237 VanDerWaalsContact O-N 3.07Å; L234-Y238 HydrophobicContact CD2-CE1 4.49Å; L234-Y238 PolarHBondContact O-N 3.13Å; L234-Q655 HydrophobicContact CD1-CB 4.44Å; L234-Q655 HydrophobicContact CD2-CB 4.26Å; L234-M656 HydrophobicContact CD1-CG 3.82Å; L234-M656 HydrophobicContact CD2-CG 3.54Å; L234-M656 HydrophobicContact CD2-SD 3.28Å; L234-M656 WeakPolarHBondContact CD2-SD 3.46Å; L234-M656 HydrophobicContact CG-CG 3.44Å; L234-M656 VanDerWaalsContact CG-CG 3.44Å; L234-M656 HydrophobicContact CG-SD 3.61Å; L234-Y659 HydrophobicContact CD2-CD2 4.01Å; L234-Y659 HydrophobicContact CD2-CE2 3.65Å
235	A	79.7	Confident	84.6	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.7	-10.3	-177.9	0	0	0	0	0	113.5	G232 E233 R259	G232-A235 WeakPolarHBondContact O-CB 3.36Å; G232-A235 PolarHBondContact O-N 2.81Å; E233-A235 PolarHBondContact O-N 3.35Å; E233-A235 VanDerWaalsContact O-N 3.15Å; A235-R259 PolarHBondContact O-NE 2.57Å; A235-R259 PolarHBondContact O-NH2 3.33Å
236	I	80.7	Confident	84.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-93.4	-15.4	170.6	55.5	156.8	0	0	0	113	F168 L169 I205 E233 L234 R259 F262	F168-I236 HydrophobicContact CE1-CD1 4.4Å; L169-I236 HydrophobicContact CD2-CD1 4.13Å; I205-I236 HydrophobicContact CB-CD1 4.33Å; I205-I236 HydrophobicContact CB-CG1 4.28Å; I205-I236 HydrophobicContact CB-CG2 3.58Å; I205-I236 HydrophobicContact CD1-CD1 3.74Å; I205-I236 HydrophobicContact CD1-CG1 4.26Å; I205-I236 HydrophobicContact CG2-CD1 4.25Å; I205-I236 HydrophobicContact CG2-CG2 3.6Å; E233-I236 WeakPolarHBondContact O-CG1 3.24Å; E233-I236 PolarHBondContact O-N 3.15Å; L234-I236 PolarHBondContact O-N 2.65Å; I236-R259 WeakPolarHBondContact O-CG 3.37Å; I236-F262 HydrophobicContact CB-CB 4.4Å; I236-F262 HydrophobicContact CB-CD1 4.06Å; I236-F262 HydrophobicContact CB-CG 4.14Å; I236-F262 HydrophobicContact CD1-CD1 4.17Å; I236-F262 HydrophobicContact CD1-CD2 3.69Å; I236-F262 HydrophobicContact CD1-CE1 4.13Å; I236-F262 HydrophobicContact CD1-CE2 3.63Å; I236-F262 HydrophobicContact CD1-CG 3.97Å; I236-F262 HydrophobicContact CD1-CZ 3.88Å; I236-F262 HydrophobicContact CG1-CD1 4.49Å; I236-F262 WeakPolarHBondContact O-CD1 3.37Å
237	L	73.7	Confident	84.8	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-77.6	-52.2	174.7	-66.1	178.9	0	0	0	110.8	A127 F168 L234 F610 Y659	A127-L237 WeakPolarHBondContact CB-O 3.5Å; F168-L237 HydrophobicContact CE1-CD2 3.86Å; F168-L237 HydrophobicContact CE1-CG 4.48Å; F168-L237 HydrophobicContact CE2-CD2 4.05Å; F168-L237 HydrophobicContact CZ-CD2 3.44Å; F168-L237 VanDerWaalsContact CZ-CD2 3.44Å; F168-L237 HydrophobicContact CZ-CG 4.42Å; L234-L237 PolarHBondContact O-N 2.82Å; L234-L237 VanDerWaalsContact O-N 3.07Å; L237-F610 HydrophobicContact CB-CD2 4.07Å; L237-F610 HydrophobicContact CB-CE2 4.01Å; L237-F610 HydrophobicContact CB-CG 4.44Å; L237-F610 HydrophobicContact CB-CZ 4.39Å; L237-F610 HydrophobicContact CD1-CE2 4.12Å; L237-F610 HydrophobicContact CD2-CD2 4.27Å; L237-F610 HydrophobicContact CD2-CE2 4.29Å; L237-F610 HydrophobicContact CG-CE2 4.38Å; L237-F610 WeakPolarHBondContact O-CB 3.44Å; L237-Y659 HydrophobicContact CD1-CD2 4.13Å; L237-Y659 HydrophobicContact CD1-CE2 4.18Å
238	Y	70.5	Confident	84.9	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.008	16%	0.162	C	C	.	.	S	Bend	trans	-155.9	172.4	-178.2	61.5	-86.5	0	0	0	112.7	V125 A127 L234 C240 R259 F610 Q655 Y659	V125-Y238 HydrophobicContact CB-CD2 3.59Å; V125-Y238 HydrophobicContact CB-CE2 3.55Å; V125-Y238 HydrophobicContact CB-CG 4.16Å; V125-Y238 HydrophobicContact CG1-CD2 4.01Å; V125-Y238 HydrophobicContact CG1-CE2 3.47Å; V125-Y238 VanDerWaalsContact CG1-CE2 3.47Å; V125-Y238 HydrophobicContact CG2-CD1 4.22Å; V125-Y238 HydrophobicContact CG2-CD2 4Å; V125-Y238 HydrophobicContact CG2-CE1 4.11Å; V125-Y238 HydrophobicContact CG2-CE2 3.87Å; V125-Y238 HydrophobicContact CG2-CG 4.14Å; A127-Y238 VanDerWaalsContact CB-CA 3.48Å; L234-Y238 HydrophobicContact CD2-CE1 4.49Å; L234-Y238 PolarHBondContact O-N 3.13Å; Y238-C240 VanDerWaalsContact C-N 3.3Å; Y238-C240 HydrophobicContact CD2-CB 3.84Å; Y238-C240 HydrophobicContact CE2-CB 3.41Å; Y238-C240 VanDerWaalsContact CE2-CB 3.41Å; Y238-C240 PolarHBondContact O-N 3.32Å; Y238-R259 VanDerWaalsContact C-NH2 3.32Å; Y238-R259 PolarHBondContact O-NH2 3.04Å; Y238-F610 AromaticContact CD1-CD1 3.49Å; Y238-F610 HydrophobicContact CD1-CD1 3.49Å; Y238-F610 VanDerWaalsContact CD1-CD1 3.49Å; Y238-F610 AromaticContact CD1-CE1 3.14Å; Y238-F610 HydrophobicContact CD1-CE1 3.14Å; Y238-F610 HydrophobicContact CD1-CE2 4.48Å; Y238-F610 HydrophobicContact CD1-CG 4.34Å; Y238-F610 AromaticContact CD1-CZ 3.71Å; Y238-F610 HydrophobicContact CD1-CZ 3.71Å; Y238-F610 HydrophobicContact CE1-CD1 4.37Å; Y238-F610 AromaticContact CE1-CE1 3.58Å; Y238-F610 HydrophobicContact CE1-CE1 3.58Å; Y238-F610 AromaticContact CE1-CZ 3.87Å; Y238-F610 HydrophobicContact CE1-CZ 3.87Å; Y238-F610 AromaticContact CG-CD1 3.93Å; Y238-F610 HydrophobicContact CG-CD1 3.93Å; Y238-F610 AromaticContact CG-CE1 3.91Å; Y238-F610 HydrophobicContact CG-CE1 3.91Å; Y238-Q655 PolarHBondContact OH-NE2 3.33Å; Y238-Q655 PolarHBondContact OH-OE1 2.9Å; Y238-Y659 AromaticContact CE1-CE2 3.97Å; Y238-Y659 HydrophobicContact CE1-CE2 3.97Å; Y238-Y659 WeakPolarHBondContact CE1-OH 3.1Å; Y238-Y659 PolarHBondContact OH-OH 3.5Å
239	N	68.4	Low	85	Confident	94 Å²	94	28.8 Å²	28.8	50%	0.503	16%	0.163	S	C	.	.			trans	-71.6	83.1	179.1	-163.8	38.5	0	0	0	111.5	R259	N239-R259 VanDerWaalsContact CA-NH1 3.31Å; N239-R259 PolarHBondContact OD1-NH1 2.75Å
240	C	70.1	Confident	85.2	Confident	13 Å²	13	29 Å²	29	9%	0.088	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-101.9	145.5	175.1	76.4	0	0	0	0	111.3	G202 Y238	G202-C240 PolarHBondContact N-O 3.38Å; G202-C240 VanDerWaalsContact N-O 3.08Å; Y238-C240 VanDerWaalsContact C-N 3.3Å; Y238-C240 HydrophobicContact CD2-CB 3.84Å; Y238-C240 HydrophobicContact CE2-CB 3.41Å; Y238-C240 VanDerWaalsContact CE2-CB 3.41Å; Y238-C240 PolarHBondContact O-N 3.32Å
241	T	77.1	Confident	85.3	Confident	93 Å²	93	33.1 Å²	33.1	57%	0.571	19%	0.186	S	C	*	.	B	Isolated β-bridge	trans	-69.7	137.6	162.1	51.2	0	0	0	0	109.1	E200 T243	E200-T241 CarbonylContact O-C 3.44Å; E200-T241 WeakPolarHBondContact O-CA 3.47Å; T241-T243 PolarHBondContact O-N 2.87Å
242	R	83.3	Confident	85.6	Confident	23 Å²	23	32.8 Å²	32.8	9%	0.087	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-62.5	128.3	178.1	-64	-71.3	-159.8	-175.8	-2.3	109.8	I196 K197 Q198 G199 E200 H204 G232	I196-R242 HydrophobicContact CG2-CB 3.65Å; I196-R242 VanDerWaalsContact CG2-CD 3.41Å; I196-R242 HydrophobicContact CG2-CG 3.5Å; K197-R242 VanDerWaalsContact O-CB 3.24Å; K197-R242 WeakPolarHBondContact O-CB 3.32Å; Q198-R242 CarbonylContact C-O 3.5Å; Q198-R242 WeakPolarHBondContact CA-O 3.16Å; G199-R242 PolarHBondContact N-O 3.4Å; E200-R242 WeakPolarHBondContact O-CG 3.4Å; E200-R242 PolarHBondContact O-N 3.09Å; H204-R242 PolarHBondContact O-NH1 3.15Å; H204-R242 PolarHBondContact O-NH2 3.01Å; G232-R242 VanDerWaalsContact CA-NH1 3.29Å; G232-R242 PolarHBondContact O-NH1 3.19Å
243	T	82.5	Confident	86	Confident	83 Å²	83	34.4 Å²	34.4	51%	0.509	19%	0.188	S	C	.	.	S	Bend	trans	-81.5	-22.6	-175.2	51.9	0	0	0	0	113.2	T241	T241-T243 PolarHBondContact O-N 2.87Å
244	A	88.1	Confident	86.5	Confident	13 Å²	13	32.6 Å²	32.6	11%	0.107	18%	0.179	C	C	.	.	S	Bend	trans	-143.5	157	179.5	0	0	0	0	0	109.9	I196 V215 F216 L222	I196-A244 VanDerWaalsContact CG2-O 3.27Å; I196-A244 WeakPolarHBondContact CG2-O 3.28Å; V215-A244 HydrophobicContact CG1-CB 3.65Å; F216-A244 CarbonylContact O-C 3.53Å; F216-A244 WeakPolarHBondContact O-CA 3.49Å; F216-A244 WeakPolarHBondContact O-CB 3.34Å; L222-A244 HydrophobicContact CD1-CB 4.48Å
245	S	92.9	Very high	87.3	Confident	16 Å²	16	32.3 Å²	32.3	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.5	170.8	-59	0	0	0	0	110.1	I196 Q198 V215 F216	I196-S245 CarbonylContact O-C 3.51Å; I196-S245 WeakPolarHBondContact O-CA 3.26Å; Q198-S245 WeakPolarHBondContact CB-OG 3.39Å; Q198-S245 PolarHBondContact N-OG 3.37Å; V215-S245 CarbonylContact C-O 3.53Å; V215-S245 WeakPolarHBondContact CA-O 3.42Å; F216-S245 PolarHBondContact N-O 3.15Å; F216-S245 PolarHBondContact O-N 2.87Å
246	V	95.3	Very high	88	Confident	8 Å²	8	32.3 Å²	32.3	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.2	172.8	-175.9	0	0	0	0	108.1	I195 I196 L213 E214 V215 I225 F231	I195-V246 HydrophobicContact CD1-CG1 4.28Å; I195-V246 PolarHBondContact N-O 3.07Å; I196-V246 HydrophobicContact CB-CB 3.96Å; I196-V246 HydrophobicContact CB-CG2 3.95Å; I196-V246 HydrophobicContact CD1-CG2 3.99Å; I196-V246 HydrophobicContact CG1-CB 4.41Å; I196-V246 HydrophobicContact CG1-CG2 4.34Å; I196-V246 PolarHBondContact N-O 3.19Å; I196-V246 PolarHBondContact O-N 3.49Å; L213-V246 HydrophobicContact CB-CG1 4.03Å; L213-V246 HydrophobicContact CD1-CG1 3.94Å; L213-V246 HydrophobicContact CD2-CG1 4.39Å; L213-V246 HydrophobicContact CG-CG1 4.36Å; E214-V246 WeakPolarHBondContact O-CA 3.21Å; V215-V246 HydrophobicContact CG2-CG2 4.27Å; I225-V246 HydrophobicContact CD1-CG1 3.67Å; I225-V246 HydrophobicContact CD1-CG2 4.33Å; F231-V246 HydrophobicContact CD2-CG1 4.46Å; F231-V246 HydrophobicContact CD2-CG2 4.35Å; F231-V246 HydrophobicContact CE2-CG1 4.12Å
247	K	96.2	Very high	88.6	Confident	64 Å²	64	32.3 Å²	32.3	28%	0.278	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.4	-174.3	-168.4	179.7	-178.2	176.2	0	111.2	G192 Y194 L213 E214 F216 I249	G192-K247 VanDerWaalsContact O-CE 3.23Å; G192-K247 WeakPolarHBondContact O-CE 3.39Å; Y194-K247 HydrophobicContact CD1-CB 4.11Å; Y194-K247 HydrophobicContact CD1-CG 4.37Å; Y194-K247 HydrophobicContact CE1-CB 4Å; Y194-K247 HydrophobicContact CE1-CD 4.19Å; Y194-K247 HydrophobicContact CE1-CG 4.18Å; Y194-K247 HydrophobicContact CE2-CD 4.31Å; Y194-K247 HydrophobicContact CE2-CG 4.47Å; L213-K247 WeakPolarHBondContact CA-O 3.35Å; E214-K247 PolarHBondContact N-O 3.07Å; E214-K247 PolarHBondContact O-N 3.06Å; F216-K247 HydrophobicContact CD2-CB 4.18Å; F216-K247 HydrophobicContact CE2-CB 3.89Å; F216-K247 HydrophobicContact CE2-CD 4.46Å; K247-I249 PolarHBondContact O-N 3.1Å
248	A	96.9	Very high	89.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	116.5	172	0	0	0	0	0	110.4	Q190 G192 S193 I195 L213 T250 V252	Q190-A248 WeakPolarHBondContact O-CB 3.39Å; G192-A248 WeakPolarHBondContact CA-O 3.44Å; G192-A248 PolarHBondContact N-O 2.96Å; S193-A248 WeakPolarHBondContact O-CB 3.48Å; S193-A248 PolarHBondContact O-N 3Å; I195-A248 HydrophobicContact CD1-CB 4.01Å; L213-A248 HydrophobicContact CD2-CB 4.21Å; A248-T250 WeakPolarHBondContact CB-O 3.42Å; A248-V252 HydrophobicContact CB-CB 4.45Å; A248-V252 HydrophobicContact CB-CG2 4.15Å
249	I	96.8	Very high	90	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.246	19%	0.193	C	C	.	.	S	Bend	trans	-88	-27.4	175.7	-56.3	-54.2	0	0	0	111	Q191 R212 E214 K247	Q191-I249 VanDerWaalsContact CD-O 3.31Å; Q191-I249 VanDerWaalsContact CG-O 3.26Å; Q191-I249 WeakPolarHBondContact CG-O 3.42Å; Q191-I249 PolarHBondContact NE2-O 3.06Å; Q191-I249 VanDerWaalsContact NE2-O 3.14Å; R212-I249 HydrophobicContact CB-CB 4.32Å; R212-I249 HydrophobicContact CG-CB 4.21Å; R212-I249 PolarHBondContact O-N 3.09Å; E214-I249 HydrophobicContact CB-CD1 4.06Å; E214-I249 HydrophobicContact CB-CG1 3.94Å; E214-I249 HydrophobicContact CG-CD1 4.18Å; E214-I249 HydrophobicContact CG-CG1 3.69Å; E214-I249 WeakPolarHBondContact OE2-CD1 3.25Å; K247-I249 PolarHBondContact O-N 3.1Å
250	T	97.1	Very high	90.7	Very high	53 Å²	53	37.3 Å²	37.3	33%	0.325	20%	0.198	S	C	.	.	S	Bend	trans	-122.7	179.8	170.2	64.4	0	0	0	0	109.3	G211 R212 A248 V252	G211-T250 WeakPolarHBondContact CA-OG1 3.21Å; R212-T250 HydrophobicContact CB-CG2 4.2Å; R212-T250 PolarHBondContact N-OG1 3.37Å; A248-T250 WeakPolarHBondContact CB-O 3.42Å; T250-V252 WeakPolarHBondContact O-CG2 3.22Å; T250-V252 PolarHBondContact O-N 3.32Å
251	N	96.6	Very high	91.4	Very high	96 Å²	96	37.5 Å²	37.5	51%	0.513	20%	0.198	S	C	.	.			trans	-59.7	136.2	159	-66.9	-19.2	0	0	0	108.9	Y189 Q190 Q191	Y189-N251 WeakPolarHBondContact O-CA 3.39Å; Q190-N251 WeakPolarHBondContact CA-OD1 3.3Å; Q190-N251 PolarHBondContact OE1-OD1 3.37Å; Q191-N251 PolarHBondContact N-OD1 3.31Å
252	V	97.7	Very high	91.9	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138	-169.2	162.3	0	0	0	0	110.7	N188 Y189 L208 E210 L213 A248 T250 T254	N188-V252 CarbonylContact C-O 3.5Å; N188-V252 WeakPolarHBondContact CA-O 3.42Å; Y189-V252 HydrophobicContact CD2-CG1 4.49Å; Y189-V252 PolarHBondContact N-O 2.91Å; Y189-V252 PolarHBondContact O-N 3.47Å; L208-V252 HydrophobicContact CD1-CG1 3.58Å; E210-V252 VanDerWaalsContact O-CA 3.28Å; E210-V252 WeakPolarHBondContact O-CA 3.45Å; L213-V252 HydrophobicContact CD1-CG1 4.45Å; L213-V252 HydrophobicContact CD2-CB 4.3Å; L213-V252 HydrophobicContact CD2-CG1 3.99Å; L213-V252 HydrophobicContact CD2-CG2 3.68Å; L213-V252 HydrophobicContact CG-CG1 4.32Å; L213-V252 HydrophobicContact CG-CG2 4.27Å; A248-V252 HydrophobicContact CB-CB 4.45Å; A248-V252 HydrophobicContact CB-CG2 4.15Å; T250-V252 WeakPolarHBondContact O-CG2 3.22Å; T250-V252 PolarHBondContact O-N 3.32Å; V252-T254 HydrophobicContact CG1-CG2 3.68Å
253	K	96.6	Very high	91.8	Very high	49 Å²	49	33.8 Å²	33.8	21%	0.213	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.6	168.9	-175.2	178.6	169	-164.3	0	109.3	E155 R187 N188 A209 E210	E155-K253 IonicContact OE1-NZ 2.76Å; E155-K253 PolarHBondContact OE1-NZ 3.35Å; R187-K253 WeakPolarHBondContact O-CA 3.11Å; N188-K253 WeakPolarHBondContact OD1-CG 3.47Å; A209-K253 HydrophobicContact CB-CB 4.48Å; A209-K253 HydrophobicContact CB-CG 4.35Å; A209-K253 WeakPolarHBondContact CB-O 3.47Å; A209-K253 PolarHBondContact N-O 2.79Å; E210-K253 HydrophobicContact CB-CB 4.01Å; E210-K253 HydrophobicContact CG-CB 4.41Å; E210-K253 PolarHBondContact N-O 2.95Å; E210-K253 VanDerWaalsContact N-O 3.14Å; E210-K253 PolarHBondContact O-N 3.36Å; E210-K253 IonicContact OE1-NZ 2.74Å
254	T	96.6	Very high	91.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.5	176.9	67.6	0	0	0	0	111.3	G186 R187 Y189 V207 L208 F231 V252	G186-T254 CarbonylContact C-O 3.58Å; G186-T254 WeakPolarHBondContact CA-O 3.33Å; R187-T254 PolarHBondContact N-O 3.19Å; R187-T254 PolarHBondContact O-N 3.23Å; R187-T254 PolarHBondContact O-OG1 3.27Å; Y189-T254 HydrophobicContact CD2-CG2 4.24Å; Y189-T254 HydrophobicContact CE2-CG2 4.12Å; Y189-T254 WeakPolarHBondContact CE2-OG1 3.33Å; V207-T254 CarbonylContact O-C 3.58Å; V207-T254 VanDerWaalsContact O-CA 3.23Å; V207-T254 WeakPolarHBondContact O-CA 3.27Å; V207-T254 WeakPolarHBondContact O-CB 3.49Å; L208-T254 HydrophobicContact CD1-CG2 4.44Å; F231-T254 HydrophobicContact CZ-CG2 4.26Å; V252-T254 HydrophobicContact CG1-CG2 3.68Å
255	W	96.6	Very high	91.6	Very high	13 Å²	13	30 Å²	30	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.9	161.4	-66.7	101	0	0	0	109.1	K151 E155 I159 M184 Y185 F206 V207	K151-W255 HydrophobicContact CD-CE3 4.17Å; K151-W255 HydrophobicContact CD-CH2 3.82Å; K151-W255 HydrophobicContact CD-CZ2 4.3Å; K151-W255 HydrophobicContact CD-CZ3 3.75Å; K151-W255 HydrophobicContact CG-CH2 3.64Å; K151-W255 HydrophobicContact CG-CZ2 4.36Å; K151-W255 HydrophobicContact CG-CZ3 3.87Å; E155-W255 HydrophobicContact CB-CZ2 4.46Å; E155-W255 HydrophobicContact CG-CZ2 4.47Å; E155-W255 WeakPolarHBondContact OE1-CZ2 3.42Å; I159-W255 HydrophobicContact CD1-CD2 3.7Å; I159-W255 HydrophobicContact CD1-CE3 4.35Å; I159-W255 HydrophobicContact CD1-CG 3.74Å; I159-W255 HydrophobicContact CD1-CZ2 4.32Å; I159-W255 HydrophobicContact CG1-CD2 4.46Å; I159-W255 HydrophobicContact CG1-CG 4.02Å; M184-W255 HydrophobicContact CB-CB 4.25Å; M184-W255 HydrophobicContact CB-CE3 4.33Å; M184-W255 HydrophobicContact CE-CB 3.6Å; M184-W255 WeakPolarHBondContact CE-O 3.31Å; M184-W255 HydrophobicContact SD-CB 4.17Å; Y185-W255 VanDerWaalsContact C-CE3 3.46Å; Y185-W255 CarbonylContact O-C 3.54Å; Y185-W255 WeakPolarHBondContact O-CA 3.18Å; F206-W255 CarbonylContact C-O 3.57Å; F206-W255 WeakPolarHBondContact CA-O 3.48Å; V207-W255 HydrophobicContact CB-CB 4.3Å; V207-W255 PolarHBondContact N-O 3.07Å; V207-W255 PolarHBondContact O-N 2.64Å
256	A	94.4	Very high	91.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.9	179	0	0	0	0	0	111.3	M184 Y185 R187 I205 F206	M184-A256 CarbonylContact C-O 3.54Å; M184-A256 VanDerWaalsContact CA-O 3.24Å; M184-A256 WeakPolarHBondContact CA-O 3.36Å; Y185-A256 VanDerWaalsContact CD1-O 3.31Å; Y185-A256 WeakPolarHBondContact CD1-O 3.42Å; Y185-A256 HydrophobicContact CE1-CB 4.19Å; Y185-A256 HydrophobicContact CE2-CB 4.28Å; Y185-A256 PolarHBondContact N-O 2.98Å; Y185-A256 PolarHBondContact O-N 3.02Å; R187-A256 HydrophobicContact CG-CB 4.36Å; I205-A256 CarbonylContact O-C 3.53Å; I205-A256 WeakPolarHBondContact O-CA 3.4Å; F206-A256 HydrophobicContact CD1-CB 3.7Å; F206-A256 HydrophobicContact CE1-CB 3.68Å
257	L	92.8	Very high	90.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.8	167.6	-171.3	73.9	0	0	0	109.5	M180 C183 M184 H204 I205 V261 F262	M180-L257 HydrophobicContact CB-CD2 4.03Å; M180-L257 HydrophobicContact CE-CD2 3.77Å; M180-L257 HydrophobicContact CG-CD2 3.81Å; C183-L257 HydrophobicContact CB-CD1 3.75Å; M184-L257 HydrophobicContact CE-CB 4.47Å; M184-L257 HydrophobicContact CG-CB 3.94Å; M184-L257 HydrophobicContact CG-CD1 4.18Å; H204-L257 VanDerWaalsContact CA-O 3.27Å; H204-L257 WeakPolarHBondContact CA-O 3.39Å; I205-L257 HydrophobicContact CG2-CB 3.67Å; I205-L257 HydrophobicContact CG2-CD2 4.46Å; I205-L257 PolarHBondContact N-O 2.86Å; I205-L257 PolarHBondContact O-N 3.36Å; L257-V261 HydrophobicContact CD1-CB 4.21Å; L257-V261 HydrophobicContact CD1-CG1 3.69Å; L257-V261 HydrophobicContact CG-CG1 4.48Å; L257-F262 HydrophobicContact CD2-CB 3.98Å; L257-F262 HydrophobicContact CD2-CD2 4.29Å
258	D	89.1	Confident	89.5	Confident	50 Å²	50	32.3 Å²	32.3	27%	0.267	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.5	178.9	-50.1	-45.4	0	0	0	111	Y185 H204 E260 V261 F262	Y185-D258 WeakPolarHBondContact CE1-OD1 3.22Å; Y185-D258 WeakPolarHBondContact CE1-OD2 3.19Å; Y185-D258 PolarHBondContact OH-OD1 3.01Å; H204-D258 IonicContact CD2-OD1 2.65Å; H204-D258 PolarHBondContact CD2-OD1 2.99Å; H204-D258 IonicContact NE2-OD1 2.86Å; H204-D258 PolarHBondContact NE2-OD1 3.23Å; D258-E260 VanDerWaalsContact C-N 3.3Å; D258-E260 PolarHBondContact O-N 3.44Å; D258-V261 HydrophobicContact CB-CB 4.48Å; D258-V261 HydrophobicContact CB-CG2 4.12Å; D258-V261 PolarHBondContact O-N 3.04Å; D258-F262 PolarHBondContact O-N 3.24Å
259	R	85.2	Confident	88.4	Confident	24 Å²	24	33.9 Å²	33.9	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-53.3	-46	176.9	178.5	-174	-59	139.3	10.1	112.2	G202 N203 A235 I236 Y238 N239 V261 F262 Q263	G202-R259 PolarHBondContact O-NH2 3.4Å; N203-R259 PolarHBondContact O-N 2.89Å; N203-R259 PolarHBondContact OD1-NH1 3.28Å; N203-R259 VanDerWaalsContact OD1-NH1 3.11Å; N203-R259 PolarHBondContact OD1-NH2 3.34Å; A235-R259 PolarHBondContact O-NE 2.57Å; A235-R259 PolarHBondContact O-NH2 3.33Å; I236-R259 WeakPolarHBondContact O-CG 3.37Å; Y238-R259 VanDerWaalsContact C-NH2 3.32Å; Y238-R259 PolarHBondContact O-NH2 3.04Å; N239-R259 VanDerWaalsContact CA-NH1 3.31Å; N239-R259 PolarHBondContact OD1-NH1 2.75Å; R259-V261 VanDerWaalsContact C-N 3.3Å; R259-V261 PolarHBondContact O-N 2.81Å; R259-F262 WeakPolarHBondContact O-CB 2.9Å; R259-F262 PolarHBondContact O-N 3.34Å; R259-Q263 HydrophobicContact CG-CG 4.17Å; R259-Q263 WeakPolarHBondContact O-CG 3.17Å; R259-Q263 PolarHBondContact O-N 3.39Å
260	E	81.8	Confident	87.4	Confident	132 Å²	132	31.8 Å²	31.8	62%	0.617	15%	0.154	S	C	*	.	H	α-helix	trans	-61.8	-40.9	-177.3	-176.6	177.9	179.9	0	0	111.3	D258 Q263 N264	D258-E260 VanDerWaalsContact C-N 3.3Å; D258-E260 PolarHBondContact O-N 3.44Å; E260-Q263 PolarHBondContact O-N 3.03Å; E260-N264 WeakPolarHBondContact O-CB 3.4Å; E260-N264 VanDerWaalsContact O-CG 3.29Å; E260-N264 PolarHBondContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 2.57Å
261	V	86.3	Confident	86.5	Confident	16 Å²	16	32.7 Å²	32.7	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-48.1	175.6	176.8	0	0	0	0	110.3	F142 C183 L257 D258 R259 Q263 N264 I265	F142-V261 HydrophobicContact CE2-CG2 4.01Å; F142-V261 HydrophobicContact CZ-CB 4.34Å; F142-V261 HydrophobicContact CZ-CG1 3.9Å; F142-V261 HydrophobicContact CZ-CG2 4.15Å; C183-V261 HydrophobicContact CB-CG1 3.67Å; L257-V261 HydrophobicContact CD1-CB 4.21Å; L257-V261 HydrophobicContact CD1-CG1 3.69Å; L257-V261 HydrophobicContact CG-CG1 4.48Å; D258-V261 HydrophobicContact CB-CB 4.48Å; D258-V261 HydrophobicContact CB-CG2 4.12Å; D258-V261 PolarHBondContact O-N 3.04Å; R259-V261 VanDerWaalsContact C-N 3.3Å; R259-V261 PolarHBondContact O-N 2.81Å; V261-Q263 PolarHBondContact O-N 3.08Å; V261-N264 PolarHBondContact O-N 3.3Å; V261-I265 HydrophobicContact CG1-CD1 3.79Å; V261-I265 HydrophobicContact CG1-CG1 4.41Å; V261-I265 VanDerWaalsContact O-CG1 3.28Å; V261-I265 WeakPolarHBondContact O-CG1 3.3Å; V261-I265 PolarHBondContact O-N 2.78Å
262	F	87.2	Confident	85.7	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-52.2	175.6	174.1	-97	0	0	0	111.7	F168 L169 L172 M180 I236 L257 D258 R259 N264 I265 M266	F168-F262 HydrophobicContact CE1-CZ 4.15Å; F168-F262 HydrophobicContact CZ-CZ 4.2Å; L169-F262 HydrophobicContact CD2-CE2 4.28Å; L172-F262 HydrophobicContact CD1-CE2 3.96Å; L172-F262 HydrophobicContact CD1-CZ 4.38Å; M180-F262 HydrophobicContact CE-CD2 3.92Å; M180-F262 HydrophobicContact CE-CE2 4.11Å; M180-F262 HydrophobicContact CG-CD2 4.47Å; M180-F262 HydrophobicContact SD-CD2 3.91Å; M180-F262 HydrophobicContact SD-CE2 3.94Å; I236-F262 HydrophobicContact CB-CB 4.4Å; I236-F262 HydrophobicContact CB-CD1 4.06Å; I236-F262 HydrophobicContact CB-CG 4.14Å; I236-F262 HydrophobicContact CD1-CD1 4.17Å; I236-F262 HydrophobicContact CD1-CD2 3.69Å; I236-F262 HydrophobicContact CD1-CE1 4.13Å; I236-F262 HydrophobicContact CD1-CE2 3.63Å; I236-F262 HydrophobicContact CD1-CG 3.97Å; I236-F262 HydrophobicContact CD1-CZ 3.88Å; I236-F262 HydrophobicContact CG1-CD1 4.49Å; I236-F262 WeakPolarHBondContact O-CD1 3.37Å; L257-F262 HydrophobicContact CD2-CB 3.98Å; L257-F262 HydrophobicContact CD2-CD2 4.29Å; D258-F262 PolarHBondContact O-N 3.24Å; R259-F262 WeakPolarHBondContact O-CB 2.9Å; R259-F262 PolarHBondContact O-N 3.34Å; F262-N264 VanDerWaalsContact C-N 3.31Å; F262-N264 PolarHBondContact O-N 3.31Å; F262-I265 PolarHBondContact O-N 2.85Å; F262-M266 HydrophobicContact CD1-CG 4.34Å; F262-M266 HydrophobicContact CD2-CE 3.77Å; F262-M266 HydrophobicContact CE1-CG 3.95Å; F262-M266 HydrophobicContact CE2-CE 3.45Å; F262-M266 VanDerWaalsContact CE2-CE 3.45Å; F262-M266 HydrophobicContact CE2-CG 4.14Å; F262-M266 HydrophobicContact CE2-SD 4.11Å; F262-M266 HydrophobicContact CZ-CE 4.05Å; F262-M266 HydrophobicContact CZ-CG 3.83Å; F262-M266 HydrophobicContact CZ-SD 4.09Å; F262-M266 WeakPolarHBondContact O-CG 3.23Å; F262-M266 PolarHBondContact O-N 3.46Å
263	Q	81	Confident	84.8	Confident	37 Å²	37	35.5 Å²	35.5	17%	0.173	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-40.5	179.6	-72.7	177.6	-20.7	0	0	112.3	A127 R259 E260 V261 M266 R267	A127-Q263 PolarHBondContact O-NE2 2.99Å; R259-Q263 HydrophobicContact CG-CG 4.17Å; R259-Q263 WeakPolarHBondContact O-CG 3.17Å; R259-Q263 PolarHBondContact O-N 3.39Å; E260-Q263 PolarHBondContact O-N 3.03Å; V261-Q263 PolarHBondContact O-N 3.08Å; Q263-M266 PolarHBondContact O-N 2.85Å; Q263-R267 WeakPolarHBondContact O-CB 3.39Å; Q263-R267 PolarHBondContact O-N 3.37Å
264	N	82.4	Confident	83.9	Confident	11 Å²	11	34 Å²	34	6%	0.059	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-38.7	178.1	-76.7	-40.5	0	0	0	112.6	F142 E260 V261 F262 R267 R268	F142-N264 HydrophobicContact CB-CB 4.19Å; F142-N264 HydrophobicContact CD1-CB 3.66Å; F142-N264 HydrophobicContact CD2-CB 4.28Å; F142-N264 WeakPolarHBondContact CD2-ND2 3.38Å; F142-N264 HydrophobicContact CE1-CB 4.07Å; F142-N264 HydrophobicContact CG-CB 3.78Å; E260-N264 WeakPolarHBondContact O-CB 3.4Å; E260-N264 VanDerWaalsContact O-CG 3.29Å; E260-N264 PolarHBondContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 2.57Å; V261-N264 PolarHBondContact O-N 3.3Å; F262-N264 VanDerWaalsContact C-N 3.31Å; F262-N264 PolarHBondContact O-N 3.31Å; N264-R267 PolarHBondContact OD1-NH2 3.3Å; N264-R268 WeakPolarHBondContact O-CB 3.41Å; N264-R268 WeakPolarHBondContact O-CG 3.38Å; N264-R268 PolarHBondContact O-N 3.01Å
265	I	84.9	Confident	83.4	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-51.4	173.8	-68	166.3	0	0	0	109.5	F144 Q176 D179 M180 C183 V261 F262 R267 R268 T269	F144-I265 HydrophobicContact CE2-CD1 4.18Å; F144-I265 HydrophobicContact CE2-CG1 3.98Å; Q176-I265 HydrophobicContact CB-CG2 4.37Å; D179-I265 HydrophobicContact CB-CD1 4.35Å; D179-I265 HydrophobicContact CB-CG1 4.41Å; D179-I265 HydrophobicContact CB-CG2 3.79Å; M180-I265 HydrophobicContact CG-CD1 4.1Å; C183-I265 HydrophobicContact CB-CD1 4.4Å; V261-I265 HydrophobicContact CG1-CD1 3.79Å; V261-I265 HydrophobicContact CG1-CG1 4.41Å; V261-I265 VanDerWaalsContact O-CG1 3.28Å; V261-I265 WeakPolarHBondContact O-CG1 3.3Å; V261-I265 PolarHBondContact O-N 2.78Å; F262-I265 PolarHBondContact O-N 2.85Å; I265-R267 PolarHBondContact O-N 3.33Å; I265-R268 PolarHBondContact O-N 3.07Å; I265-T269 PolarHBondContact O-N 3.18Å; I265-T269 VanDerWaalsContact O-N 3.16Å; I265-T269 PolarHBondContact O-OG1 2.96Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å
266	M	82.5	Confident	82.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-48	-179.4	-62.6	-55.2	123.8	0	0	111.9	L172 Q176 M180 F262 Q263 A270 N624	L172-M266 HydrophobicContact CD1-CE 3.91Å; L172-M266 HydrophobicContact CD1-SD 4.15Å; L172-M266 HydrophobicContact CD2-SD 4.03Å; Q176-M266 HydrophobicContact CB-CE 3.85Å; Q176-M266 HydrophobicContact CB-SD 4.32Å; Q176-M266 VanDerWaalsContact CD-SD 3.56Å; Q176-M266 HydrophobicContact CG-CE 4.26Å; Q176-M266 HydrophobicContact CG-SD 4.2Å; M180-M266 HydrophobicContact CG-CE 4.24Å; M180-M266 HydrophobicContact SD-CE 3.77Å; F262-M266 HydrophobicContact CD1-CG 4.34Å; F262-M266 HydrophobicContact CD2-CE 3.77Å; F262-M266 HydrophobicContact CE1-CG 3.95Å; F262-M266 HydrophobicContact CE2-CE 3.45Å; F262-M266 VanDerWaalsContact CE2-CE 3.45Å; F262-M266 HydrophobicContact CE2-CG 4.14Å; F262-M266 HydrophobicContact CE2-SD 4.11Å; F262-M266 HydrophobicContact CZ-CE 4.05Å; F262-M266 HydrophobicContact CZ-CG 3.83Å; F262-M266 HydrophobicContact CZ-SD 4.09Å; F262-M266 WeakPolarHBondContact O-CG 3.23Å; F262-M266 PolarHBondContact O-N 3.46Å; Q263-M266 PolarHBondContact O-N 2.85Å; M266-A270 WeakPolarHBondContact O-CB 3.34Å; M266-A270 PolarHBondContact O-N 3Å; M266-N624 HydrophobicContact CB-CB 4.13Å; M266-N624 WeakPolarHBondContact CB-ND2 3.35Å; M266-N624 HydrophobicContact CG-CB 4.15Å
267	R	79.1	Confident	82.5	Confident	47 Å²	47	48.5 Å²	48.5	18%	0.177	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-46.9	-178.9	-174.8	178.6	69.9	-140.1	-9.3	112.2	P139 Q263 N264 I265 A270 Q271 W608	P139-R267 VanDerWaalsContact CG-CZ 3.45Å; Q263-R267 WeakPolarHBondContact O-CB 3.39Å; Q263-R267 PolarHBondContact O-N 3.37Å; N264-R267 PolarHBondContact OD1-NH2 3.3Å; I265-R267 PolarHBondContact O-N 3.33Å; R267-A270 PolarHBondContact O-N 3.21Å; R267-Q271 HydrophobicContact CG-CG 4.2Å; R267-Q271 WeakPolarHBondContact O-CB 3.46Å; R267-Q271 VanDerWaalsContact O-CG 3.24Å; R267-Q271 WeakPolarHBondContact O-CG 3.45Å; R267-Q271 PolarHBondContact O-N 3.41Å; R267-W608 HydrophobicContact CB-CG 4.26Å; R267-W608 HydrophobicContact CG-CD2 3.84Å; R267-W608 HydrophobicContact CG-CE3 4.21Å; R267-W608 HydrophobicContact CG-CG 3.99Å
268	R	78.4	Confident	82.3	Confident	90 Å²	90	50.7 Å²	50.7	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-68.1	-44.1	-175.1	-81.7	-170.8	168.6	-178.1	1.5	113.2	F142 N264 I265 A270 Q271 A272	F142-R268 PolarHBondContact O-NH1 2.77Å; F142-R268 PolarHBondContact O-NH2 2.9Å; N264-R268 WeakPolarHBondContact O-CB 3.41Å; N264-R268 WeakPolarHBondContact O-CG 3.38Å; N264-R268 PolarHBondContact O-N 3.01Å; I265-R268 PolarHBondContact O-N 3.07Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 2.94Å; R268-Q271 PolarHBondContact O-N 2.81Å; R268-A272 WeakPolarHBondContact O-CB 3.09Å; R268-A272 PolarHBondContact O-N 3.17Å
269	T	74.5	Confident	82.3	Confident	33 Å²	33	53 Å²	53	20%	0.202	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-40.5	179.6	-51.2	0	0	0	0	110.4	Q176 I265 R273	Q176-T269 HydrophobicContact CG-CG2 4.02Å; I265-T269 PolarHBondContact O-N 3.18Å; I265-T269 VanDerWaalsContact O-N 3.16Å; I265-T269 PolarHBondContact O-OG1 2.96Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å; T269-R273 VanDerWaalsContact O-CB 3.31Å; T269-R273 WeakPolarHBondContact O-CB 3.38Å; T269-R273 PolarHBondContact O-N 3.49Å; T269-R273 VanDerWaalsContact O-N 3.15Å
270	A	74.3	Confident	82.5	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-49.7	174.6	0	0	0	0	0	112.3	M266 R267 R268 A272 R273 D274	M266-A270 WeakPolarHBondContact O-CB 3.34Å; M266-A270 PolarHBondContact O-N 3Å; R267-A270 PolarHBondContact O-N 3.21Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 2.94Å; A270-A272 PolarHBondContact O-N 2.9Å; A270-R273 PolarHBondContact O-N 3.33Å; A270-D274 WeakPolarHBondContact O-CB 3.44Å; A270-D274 PolarHBondContact O-N 3.5Å
271	Q	78.4	Confident	82.8	Confident	72 Å²	72	46.9 Å²	46.9	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-44.2	-180	-75.8	177.7	-25.6	0	0	112.7	R267 R268 R273 D274 E275 W608	R267-Q271 HydrophobicContact CG-CG 4.2Å; R267-Q271 WeakPolarHBondContact O-CB 3.46Å; R267-Q271 VanDerWaalsContact O-CG 3.24Å; R267-Q271 WeakPolarHBondContact O-CG 3.45Å; R267-Q271 PolarHBondContact O-N 3.41Å; R268-Q271 PolarHBondContact O-N 2.81Å; Q271-R273 VanDerWaalsContact C-N 3.31Å; Q271-R273 PolarHBondContact O-N 3.39Å; Q271-D274 PolarHBondContact O-N 3.15Å; Q271-E275 VanDerWaalsContact O-CB 3.28Å; Q271-E275 WeakPolarHBondContact O-CB 3.32Å; Q271-E275 PolarHBondContact O-N 3.39Å; Q271-W608 HydrophobicContact CG-CH2 3.81Å; Q271-W608 HydrophobicContact CG-CZ2 3.68Å
272	A	79.4	Confident	83	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-41.3	178.8	0	0	0	0	0	111.3	R268 A270 Q276	R268-A272 WeakPolarHBondContact O-CB 3.09Å; R268-A272 PolarHBondContact O-N 3.17Å; A270-A272 PolarHBondContact O-N 2.9Å; A272-Q276 WeakPolarHBondContact O-CB 2.93Å; A272-Q276 WeakPolarHBondContact O-CG 3.44Å; A272-Q276 PolarHBondContact O-N 2.88Å
273	R	78.4	Confident	83	Confident	109 Å²	109	52.5 Å²	52.5	41%	0.411	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-48.7	176.2	-174.6	-176.3	68.1	-174.8	2.8	111.6	T269 A270 Q271 E275 Q276 Y277	T269-R273 VanDerWaalsContact O-CB 3.31Å; T269-R273 WeakPolarHBondContact O-CB 3.38Å; T269-R273 PolarHBondContact O-N 3.49Å; T269-R273 VanDerWaalsContact O-N 3.15Å; A270-R273 PolarHBondContact O-N 3.33Å; Q271-R273 VanDerWaalsContact C-N 3.31Å; Q271-R273 PolarHBondContact O-N 3.39Å; R273-E275 VanDerWaalsContact C-N 3.3Å; R273-E275 PolarHBondContact O-N 3.21Å; R273-Q276 PolarHBondContact O-N 3.45Å; R273-Y277 HydrophobicContact CG-CD2 3.77Å; R273-Y277 HydrophobicContact CG-CE2 3.41Å; R273-Y277 VanDerWaalsContact CG-CE2 3.41Å; R273-Y277 WeakPolarHBondContact O-CD2 3.44Å; R273-Y277 PolarHBondContact O-N 2.94Å
274	D	79.4	Confident	83.2	Confident	18 Å²	18	50.8 Å²	50.8	10%	0.096	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-40.6	178.8	-76.1	10.6	0	0	0	111.1	A270 Q271 R278 K606	A270-D274 WeakPolarHBondContact O-CB 3.44Å; A270-D274 PolarHBondContact O-N 3.5Å; Q271-D274 PolarHBondContact O-N 3.15Å; D274-R278 WeakPolarHBondContact O-CB 3.06Å; D274-R278 PolarHBondContact O-N 3.03Å; D274-K606 IonicContact OD2-NZ 3.05Å
275	E	85.1	Confident	83.2	Confident	121 Å²	121	54.3 Å²	54.3	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-70.4	-38.2	177.5	-174.5	152	-162.1	0	0	112.6	Q271 R273 R278 N279	Q271-E275 VanDerWaalsContact O-CB 3.28Å; Q271-E275 WeakPolarHBondContact O-CB 3.32Å; Q271-E275 PolarHBondContact O-N 3.39Å; R273-E275 VanDerWaalsContact C-N 3.3Å; R273-E275 PolarHBondContact O-N 3.21Å; E275-R278 PolarHBondContact O-N 3.39Å; E275-N279 VanDerWaalsContact O-CB 3.32Å; E275-N279 WeakPolarHBondContact O-CB 3.31Å; E275-N279 PolarHBondContact O-N 2.89Å; E275-N279 PolarHBondContact O-ND2 3.31Å
276	Q	85.3	Confident	82.8	Confident	139 Å²	139	54.9 Å²	54.9	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-60.1	-48.9	171.8	-79.4	176.3	-8.1	0	0	111.6	A272 R273 F280	A272-Q276 WeakPolarHBondContact O-CB 2.93Å; A272-Q276 WeakPolarHBondContact O-CG 3.44Å; A272-Q276 PolarHBondContact O-N 2.88Å; R273-Q276 PolarHBondContact O-N 3.45Å; Q276-F280 VanDerWaalsContact O-CB 3.29Å; Q276-F280 WeakPolarHBondContact O-CB 3.39Å; Q276-F280 PolarHBondContact O-N 3.25Å
277	Y	87.4	Confident	82.7	Confident	57 Å²	57	55 Å²	55	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-43	176.2	-72.6	-48.7	0	0	0	111.6	R273 N279 F280 L281 I299 V304 L380	R273-Y277 HydrophobicContact CG-CD2 3.77Å; R273-Y277 HydrophobicContact CG-CE2 3.41Å; R273-Y277 VanDerWaalsContact CG-CE2 3.41Å; R273-Y277 WeakPolarHBondContact O-CD2 3.44Å; R273-Y277 PolarHBondContact O-N 2.94Å; Y277-N279 PolarHBondContact O-N 3.39Å; Y277-F280 PolarHBondContact O-N 2.94Å; Y277-L281 WeakPolarHBondContact O-CB 3.32Å; Y277-L281 VanDerWaalsContact O-CG 3.23Å; Y277-L281 WeakPolarHBondContact O-CG 3.25Å; Y277-L281 PolarHBondContact O-N 3.43Å; Y277-I299 HydrophobicContact CD2-CG2 4.26Å; Y277-V304 WeakPolarHBondContact OH-CG2 3.48Å; Y277-L380 HydrophobicContact CD1-CD1 4.08Å; Y277-L380 HydrophobicContact CD1-CD2 4.42Å; Y277-L380 HydrophobicContact CE1-CD1 4.21Å; Y277-L380 HydrophobicContact CE1-CD2 3.73Å
278	R	88.9	Confident	82.9	Confident	46 Å²	46	58.5 Å²	58.5	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-50.9	177.9	-169.6	177.6	-57.7	-79	-4.5	111.7	D274 E275 F280 L281 R282 E292 L295 T296 I299	D274-R278 WeakPolarHBondContact O-CB 3.06Å; D274-R278 PolarHBondContact O-N 3.03Å; E275-R278 PolarHBondContact O-N 3.39Å; R278-F280 VanDerWaalsContact C-N 3.28Å; R278-F280 PolarHBondContact O-N 3.46Å; R278-L281 PolarHBondContact O-N 2.97Å; R278-R282 WeakPolarHBondContact O-CB 3.49Å; R278-R282 WeakPolarHBondContact O-CG 3.34Å; R278-R282 PolarHBondContact O-N 3.18Å; R278-E292 IonicContact CZ-OE2 2.66Å; R278-E292 IonicContact NE-OE2 2.84Å; R278-E292 IonicContact NH1-OE2 2.66Å; R278-E292 PolarHBondContact NH1-OE2 3.37Å; R278-L295 HydrophobicContact CG-CD2 3.76Å; R278-T296 PolarHBondContact NH1-OG1 2.94Å; R278-T296 VanDerWaalsContact NH1-OG1 3.14Å; R278-T296 PolarHBondContact NH2-OG1 3.31Å; R278-I299 HydrophobicContact CB-CD1 3.83Å; R278-I299 HydrophobicContact CG-CD1 4.35Å
279	N	89	Confident	83	Confident	99 Å²	99	59.4 Å²	59.4	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-38.8	178.7	-71.1	-24.9	0	0	0	111.5	E275 Y277 S283	E275-N279 VanDerWaalsContact O-CB 3.32Å; E275-N279 WeakPolarHBondContact O-CB 3.31Å; E275-N279 PolarHBondContact O-N 2.89Å; E275-N279 PolarHBondContact O-ND2 3.31Å; Y277-N279 PolarHBondContact O-N 3.39Å; N279-S283 PolarHBondContact O-N 2.91Å
280	F	89.6	Confident	83.1	Confident	27 Å²	27	58.1 Å²	58.1	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-50.5	176.4	179.2	-113.1	0	0	0	112.3	Q276 Y277 R278 R282 S283 V284 I325 L326 A327 K351 L380	Q276-F280 VanDerWaalsContact O-CB 3.29Å; Q276-F280 WeakPolarHBondContact O-CB 3.39Å; Q276-F280 PolarHBondContact O-N 3.25Å; Y277-F280 PolarHBondContact O-N 2.94Å; R278-F280 VanDerWaalsContact C-N 3.28Å; R278-F280 PolarHBondContact O-N 3.46Å; F280-R282 VanDerWaalsContact C-N 3.26Å; F280-R282 PolarHBondContact O-N 3.1Å; F280-S283 WeakPolarHBondContact O-CA 3.13Å; F280-S283 VanDerWaalsContact O-CB 3.3Å; F280-S283 WeakPolarHBondContact O-CB 3.13Å; F280-S283 PolarHBondContact O-N 3.43Å; F280-S283 PolarHBondContact O-OG 2.91Å; F280-V284 PolarHBondContact O-N 2.71Å; F280-I325 HydrophobicContact CE1-CG2 3.74Å; F280-I325 HydrophobicContact CZ-CG2 4.03Å; F280-L326 WeakPolarHBondContact CZ-O 2.95Å; F280-A327 HydrophobicContact CE1-CB 4.15Å; F280-A327 HydrophobicContact CZ-CB 4.27Å; F280-K351 HydrophobicContact CE2-CG 3.96Å; F280-L380 HydrophobicContact CD1-CD1 3.67Å; F280-L380 HydrophobicContact CE1-CD1 3.61Å; F280-L380 HydrophobicContact CE1-CG 4.46Å
281	L	88.4	Confident	83.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-33	178.6	-64.1	175.7	0	0	0	111.9	Y277 R278 S283 V284 L287 L295 I298 I299 L302 I325 L380	Y277-L281 WeakPolarHBondContact O-CB 3.32Å; Y277-L281 VanDerWaalsContact O-CG 3.23Å; Y277-L281 WeakPolarHBondContact O-CG 3.25Å; Y277-L281 PolarHBondContact O-N 3.43Å; R278-L281 PolarHBondContact O-N 2.97Å; L281-S283 PolarHBondContact O-N 3.07Å; L281-V284 WeakPolarHBondContact O-CB 3.46Å; L281-V284 PolarHBondContact O-N 3.45Å; L281-V284 VanDerWaalsContact O-N 3.08Å; L281-L287 HydrophobicContact CB-CD1 4.32Å; L281-L287 HydrophobicContact CD2-CD1 3.74Å; L281-L287 HydrophobicContact CG-CD1 4.48Å; L281-L295 HydrophobicContact CB-CD1 3.75Å; L281-L295 HydrophobicContact CD1-CD1 3.74Å; L281-L295 HydrophobicContact CG-CD1 4.43Å; L281-I298 HydrophobicContact CD1-CG2 4.11Å; L281-I299 HydrophobicContact CD1-CD1 4.32Å; L281-I299 HydrophobicContact CD1-CG1 3.53Å; L281-L302 HydrophobicContact CD1-CD1 3.76Å; L281-L302 HydrophobicContact CD2-CD1 3.92Å; L281-L302 HydrophobicContact CG-CD1 4.29Å; L281-I325 HydrophobicContact CD2-CD1 3.56Å; L281-L380 HydrophobicContact CD2-CD1 4.31Å
282	R	89.1	Confident	83.5	Confident	59 Å²	59	59 Å²	59	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-22.8	171.8	-73.1	-70.2	-172.1	-156.8	-7.8	113.1	R278 F280 K288 L290 E292 L295	R278-R282 WeakPolarHBondContact O-CB 3.49Å; R278-R282 WeakPolarHBondContact O-CG 3.34Å; R278-R282 PolarHBondContact O-N 3.18Å; F280-R282 VanDerWaalsContact C-N 3.26Å; F280-R282 PolarHBondContact O-N 3.1Å; R282-K288 VanDerWaalsContact CD-O 3.28Å; R282-K288 WeakPolarHBondContact CD-O 3.44Å; R282-K288 PolarHBondContact NH1-O 3.08Å; R282-K288 VanDerWaalsContact O-CB 3.28Å; R282-K288 WeakPolarHBondContact O-CB 3.25Å; R282-K288 WeakPolarHBondContact O-CG 3.36Å; R282-L290 PolarHBondContact NH1-O 3.13Å; R282-L290 PolarHBondContact NH2-O 3.23Å; R282-E292 IonicContact CZ-OE1 3.37Å; R282-E292 IonicContact NE-OE1 3.71Å; R282-E292 IonicContact NH2-OE1 3.49Å; R282-E292 PolarHBondContact NH2-OE1 2.88Å; R282-E292 IonicContact NH2-OE2 2.66Å; R282-L295 HydrophobicContact CG-CD2 3.99Å
283	S	87.9	Confident	83.4	Confident	77 Å²	77	59.5 Å²	59.5	54%	0.538	29%	0.294	S	S	.	.	H	α-helix	trans	-79.1	-20.4	173	79.8	0	0	0	0	113	N279 F280 L281 S285	N279-S283 PolarHBondContact O-N 2.91Å; F280-S283 WeakPolarHBondContact O-CA 3.13Å; F280-S283 VanDerWaalsContact O-CB 3.3Å; F280-S283 WeakPolarHBondContact O-CB 3.13Å; F280-S283 PolarHBondContact O-N 3.43Å; F280-S283 PolarHBondContact O-OG 2.91Å; L281-S283 PolarHBondContact O-N 3.07Å; S283-S285 PolarHBondContact O-N 3.2Å
284	V	85.2	Confident	83.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-76.4	122.2	178.2	-176.7	0	0	0	0	109.1	F280 L281 L286 L287 K288 I325 Y354	F280-V284 PolarHBondContact O-N 2.71Å; L281-V284 WeakPolarHBondContact O-CB 3.46Å; L281-V284 PolarHBondContact O-N 3.45Å; L281-V284 VanDerWaalsContact O-N 3.08Å; V284-L286 HydrophobicContact CG1-CB 4.44Å; V284-L286 PolarHBondContact O-N 2.65Å; V284-L286 VanDerWaalsContact O-N 3.15Å; V284-L287 HydrophobicContact CB-CB 4.45Å; V284-L287 HydrophobicContact CG1-CG 4.39Å; V284-L287 PolarHBondContact O-N 3.37Å; V284-K288 WeakPolarHBondContact O-CB 3.29Å; V284-K288 PolarHBondContact O-N 2.86Å; V284-I325 HydrophobicContact CG2-CG2 3.77Å; V284-Y354 HydrophobicContact CG1-CD1 3.67Å; V284-Y354 HydrophobicContact CG1-CE1 4.22Å
285	S	81.3	Confident	83.8	Confident	86 Å²	86	55.7 Å²	55.7	60%	0.601	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.3	-173.5	53.6	0	0	0	0	113.6	S283	S283-S285 PolarHBondContact O-N 3.2Å
286	L	76.7	Confident	83.7	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.084	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-35	178.6	-176.7	67.1	0	0	0	113.3	V284 F323 Y354 F394 L397 L401	V284-L286 HydrophobicContact CG1-CB 4.44Å; V284-L286 PolarHBondContact O-N 2.65Å; V284-L286 VanDerWaalsContact O-N 3.15Å; L286-F323 HydrophobicContact CD2-CE2 4.32Å; L286-F323 HydrophobicContact CD2-CZ 3.82Å; L286-Y354 HydrophobicContact CB-CD1 4.3Å; L286-Y354 HydrophobicContact CB-CE1 3.67Å; L286-Y354 HydrophobicContact CD2-CE2 4.28Å; L286-F394 HydrophobicContact CD1-CE2 3.98Å; L286-F394 HydrophobicContact CD1-CZ 4.2Å; L286-F394 HydrophobicContact CD2-CE2 3.89Å; L286-L397 HydrophobicContact CD1-CD2 4.27Å; L286-L397 HydrophobicContact CG-CD2 4.25Å; L286-L401 HydrophobicContact CD1-CD1 4.1Å; L286-L401 WeakPolarHBondContact O-CD1 3.39Å
287	L	81.4	Confident	83.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-11	-169.7	-54.1	178.8	0	0	0	113	L281 V284 N289 L290 I298 I325 L397	L281-L287 HydrophobicContact CB-CD1 4.32Å; L281-L287 HydrophobicContact CD2-CD1 3.74Å; L281-L287 HydrophobicContact CG-CD1 4.48Å; V284-L287 HydrophobicContact CB-CB 4.45Å; V284-L287 HydrophobicContact CG1-CG 4.39Å; V284-L287 PolarHBondContact O-N 3.37Å; L287-N289 PolarHBondContact O-N 3.16Å; L287-L290 HydrophobicContact CB-CD1 4.07Å; L287-L290 HydrophobicContact CD2-CD1 3.51Å; L287-L290 HydrophobicContact CG-CD1 4.37Å; L287-L290 PolarHBondContact O-N 2.76Å; L287-L290 VanDerWaalsContact O-N 3.15Å; L287-I298 HydrophobicContact CD2-CD1 4.17Å; L287-I325 HydrophobicContact CD1-CD1 3.64Å; L287-L397 HydrophobicContact CD2-CD2 4.5Å
288	K	82.6	Confident	83.4	Confident	121 Å²	121	42.7 Å²	42.7	53%	0.526	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-35.3	-175	179.1	171.4	178.2	-175.8	0	114.7	R282 V284	R282-K288 VanDerWaalsContact CD-O 3.28Å; R282-K288 WeakPolarHBondContact CD-O 3.44Å; R282-K288 PolarHBondContact NH1-O 3.08Å; R282-K288 VanDerWaalsContact O-CB 3.28Å; R282-K288 WeakPolarHBondContact O-CB 3.25Å; R282-K288 WeakPolarHBondContact O-CG 3.36Å; V284-K288 WeakPolarHBondContact O-CB 3.29Å; V284-K288 PolarHBondContact O-N 2.86Å
289	N	80	Confident	83.3	Confident	109 Å²	109	41 Å²	41	58%	0.583	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	13.2	-173.7	-62.8	-28.8	0	0	0	114.1	L287 L401	L287-N289 PolarHBondContact O-N 3.16Å; N289-L401 HydrophobicContact CB-CD2 3.88Å
290	L	78	Confident	83	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.201	C	C	.	.			trans	-70	150.3	179.8	-67	-179.2	0	0	0	112.9	R282 L287 I298 L397 Y400	R282-L290 PolarHBondContact NH1-O 3.13Å; R282-L290 PolarHBondContact NH2-O 3.23Å; L287-L290 HydrophobicContact CB-CD1 4.07Å; L287-L290 HydrophobicContact CD2-CD1 3.51Å; L287-L290 HydrophobicContact CG-CD1 4.37Å; L287-L290 PolarHBondContact O-N 2.76Å; L287-L290 VanDerWaalsContact O-N 3.15Å; L290-I298 HydrophobicContact CD1-CD1 3.62Å; L290-L397 HydrophobicContact CD1-CD1 4.26Å; L290-L397 HydrophobicContact CD2-CD1 3.35Å; L290-L397 HydrophobicContact CD2-CG 4.04Å; L290-L397 HydrophobicContact CG-CD1 4.45Å; L290-Y400 HydrophobicContact CD2-CD1 4.43Å; L290-Y400 HydrophobicContact CD2-CE1 4.36Å
291	P	79.9	Confident	82.6	Confident	20 Å²	20	37.6 Å²	37.6	13%	0.13	20%	0.199	C	C	.	.			trans	-58	153.5	170.2	-25.9	37.5	0	0	0	112.2	D293 K294 L295 Y400	P291-D293 VanDerWaalsContact C-N 3.3Å; P291-D293 WeakPolarHBondContact CB-OD1 3.24Å; P291-D293 PolarHBondContact O-N 3.27Å; P291-K294 HydrophobicContact CB-CB 4.35Å; P291-K294 HydrophobicContact CB-CG 4.19Å; P291-K294 HydrophobicContact CG-CB 4.48Å; P291-K294 HydrophobicContact CG-CG 4.08Å; P291-K294 PolarHBondContact O-N 3.4Å; P291-L295 WeakPolarHBondContact O-CB 3.16Å; P291-L295 PolarHBondContact O-N 3.02Å; P291-Y400 VanDerWaalsContact CD-CZ 3.46Å; P291-Y400 WeakPolarHBondContact CD-OH 3.27Å; P291-Y400 HydrophobicContact CG-CE2 3.89Å; P291-Y400 WeakPolarHBondContact CG-OH 3.38Å
292	E	81.3	Confident	82.4	Confident	77 Å²	77	38.7 Å²	38.7	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-36.1	177.8	-70.3	-59.4	144.1	0	0	113.1	R278 R282 T296	R278-E292 IonicContact CZ-OE2 2.66Å; R278-E292 IonicContact NE-OE2 2.84Å; R278-E292 IonicContact NH1-OE2 2.66Å; R278-E292 PolarHBondContact NH1-OE2 3.37Å; R282-E292 IonicContact CZ-OE1 3.37Å; R282-E292 IonicContact NE-OE1 3.71Å; R282-E292 IonicContact NH2-OE1 3.49Å; R282-E292 PolarHBondContact NH2-OE1 2.88Å; R282-E292 IonicContact NH2-OE2 2.66Å; E292-T296 VanDerWaalsContact O-CB 3.29Å; E292-T296 WeakPolarHBondContact O-CB 3.21Å; E292-T296 PolarHBondContact O-N 2.75Å; E292-T296 PolarHBondContact O-OG1 2.86Å
293	D	77.1	Confident	82.3	Confident	61 Å²	61	42.2 Å²	42.2	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-45.2	176.5	60	-59.5	0	0	0	111.5	P291 T296 K297	P291-D293 VanDerWaalsContact C-N 3.3Å; P291-D293 WeakPolarHBondContact CB-OD1 3.24Å; P291-D293 PolarHBondContact O-N 3.27Å; D293-T296 PolarHBondContact O-N 3.2Å; D293-K297 WeakPolarHBondContact O-CG 3.01Å; D293-K297 PolarHBondContact O-N 2.76Å; D293-K297 VanDerWaalsContact O-N 3.08Å
294	K	79.7	Confident	82.3	Confident	47 Å²	47	40.9 Å²	40.9	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-43.4	178.5	-64.9	-67.7	179.2	169.6	0	111.8	P291 T296 K297 I298 V391	P291-K294 HydrophobicContact CB-CB 4.35Å; P291-K294 HydrophobicContact CB-CG 4.19Å; P291-K294 HydrophobicContact CG-CB 4.48Å; P291-K294 HydrophobicContact CG-CG 4.08Å; P291-K294 PolarHBondContact O-N 3.4Å; K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.48Å; K294-K297 PolarHBondContact O-N 3.17Å; K294-I298 WeakPolarHBondContact O-CG1 3.34Å; K294-I298 PolarHBondContact O-N 2.83Å; K294-V391 HydrophobicContact CD-CG1 4.33Å; K294-V391 PolarHBondContact NZ-O 2.91Å
295	L	85	Confident	82.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-42	179	-172.8	63.1	0	0	0	111.5	R278 L281 R282 P291 K297 I298 I299	R278-L295 HydrophobicContact CG-CD2 3.76Å; L281-L295 HydrophobicContact CB-CD1 3.75Å; L281-L295 HydrophobicContact CD1-CD1 3.74Å; L281-L295 HydrophobicContact CG-CD1 4.43Å; R282-L295 HydrophobicContact CG-CD2 3.99Å; P291-L295 WeakPolarHBondContact O-CB 3.16Å; P291-L295 PolarHBondContact O-N 3.02Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.44Å; L295-I298 WeakPolarHBondContact O-CB 3.45Å; L295-I298 PolarHBondContact O-N 2.82Å; L295-I299 HydrophobicContact CG-CD1 4.27Å; L295-I299 VanDerWaalsContact O-CG1 3.32Å; L295-I299 WeakPolarHBondContact O-CG1 3.31Å; L295-I299 PolarHBondContact O-N 2.71Å
296	T	84.5	Confident	83.3	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-42.4	176.8	-56.3	0	0	0	0	111.2	R278 E292 D293 K294 I298 I299 D300 G604	R278-T296 PolarHBondContact NH1-OG1 2.94Å; R278-T296 VanDerWaalsContact NH1-OG1 3.14Å; R278-T296 PolarHBondContact NH2-OG1 3.31Å; E292-T296 VanDerWaalsContact O-CB 3.29Å; E292-T296 WeakPolarHBondContact O-CB 3.21Å; E292-T296 PolarHBondContact O-N 2.75Å; E292-T296 PolarHBondContact O-OG1 2.86Å; D293-T296 PolarHBondContact O-N 3.2Å; K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.48Å; T296-I298 VanDerWaalsContact C-N 3.3Å; T296-I298 PolarHBondContact O-N 3.42Å; T296-I299 WeakPolarHBondContact O-CB 3.35Å; T296-I299 PolarHBondContact O-N 3.26Å; T296-D300 PolarHBondContact O-N 3.34Å; T296-G604 WeakPolarHBondContact OG1-CA 3.44Å; T296-G604 PolarHBondContact OG1-O 2.91Å
297	K	82.6	Confident	84.2	Confident	34 Å²	34	48.7 Å²	48.7	15%	0.148	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-35.1	175.2	-71.9	-174	178.5	-157.8	0	113.3	D293 K294 L295 D300 C301 T390 N697	D293-K297 WeakPolarHBondContact O-CG 3.01Å; D293-K297 PolarHBondContact O-N 2.76Å; D293-K297 VanDerWaalsContact O-N 3.08Å; K294-K297 PolarHBondContact O-N 3.17Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.44Å; K297-D300 PolarHBondContact O-N 2.9Å; K297-C301 PolarHBondContact O-N 3.23Å; K297-C301 PolarHBondContact O-SG 3.26Å; K297-T390 HydrophobicContact CB-CG2 3.42Å; K297-T390 VanDerWaalsContact CB-CG2 3.42Å; K297-T390 HydrophobicContact CD-CG2 3.95Å; K297-T390 HydrophobicContact CG-CG2 4.19Å; K297-N697 PolarHBondContact NZ-O 3.47Å; K297-N697 PolarHBondContact NZ-OD1 2.78Å
298	I	83.1	Confident	84.9	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-51.4	171.9	-68.1	169.5	0	0	0	109.6	L281 L287 L290 K294 L295 T296 D300 C301 L302 V391	L281-I298 HydrophobicContact CD1-CG2 4.11Å; L287-I298 HydrophobicContact CD2-CD1 4.17Å; L290-I298 HydrophobicContact CD1-CD1 3.62Å; K294-I298 WeakPolarHBondContact O-CG1 3.34Å; K294-I298 PolarHBondContact O-N 2.83Å; L295-I298 WeakPolarHBondContact O-CB 3.45Å; L295-I298 PolarHBondContact O-N 2.82Å; T296-I298 VanDerWaalsContact C-N 3.3Å; T296-I298 PolarHBondContact O-N 3.42Å; I298-D300 PolarHBondContact O-N 3.28Å; I298-D300 VanDerWaalsContact O-N 3.16Å; I298-C301 CarbonylContact O-C 3.58Å; I298-C301 WeakPolarHBondContact O-CA 3.32Å; I298-C301 PolarHBondContact O-N 3.31Å; I298-L302 HydrophobicContact CG2-CD1 4.15Å; I298-L302 HydrophobicContact CG2-CD2 4.13Å; I298-L302 HydrophobicContact CG2-CG 4.02Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.37Å; I298-L302 VanDerWaalsContact O-N 3.09Å; I298-V391 HydrophobicContact CD1-CG1 4.49Å; I298-V391 HydrophobicContact CD1-CG2 3.87Å; I298-V391 HydrophobicContact CG1-CG2 3.4Å; I298-V391 VanDerWaalsContact CG1-CG2 3.4Å
299	I	86.7	Confident	85.5	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-52.9	-39.8	179.6	-67.4	165.6	0	0	0	111.2	Y277 R278 L281 L295 T296 C301 L302	Y277-I299 HydrophobicContact CD2-CG2 4.26Å; R278-I299 HydrophobicContact CB-CD1 3.83Å; R278-I299 HydrophobicContact CG-CD1 4.35Å; L281-I299 HydrophobicContact CD1-CD1 4.32Å; L281-I299 HydrophobicContact CD1-CG1 3.53Å; L295-I299 HydrophobicContact CG-CD1 4.27Å; L295-I299 VanDerWaalsContact O-CG1 3.32Å; L295-I299 WeakPolarHBondContact O-CG1 3.31Å; L295-I299 PolarHBondContact O-N 2.71Å; T296-I299 WeakPolarHBondContact O-CB 3.35Å; T296-I299 PolarHBondContact O-N 3.26Å; I299-C301 VanDerWaalsContact C-N 3.26Å; I299-C301 PolarHBondContact O-N 3.17Å; I299-L302 PolarHBondContact O-N 3.21Å
300	D	81.8	Confident	86.2	Confident	41 Å²	41	50.3 Å²	50.3	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-19.4	179.9	-70.8	-10.7	0	0	0	114.2	T296 K297 I298 K606 T692	T296-D300 PolarHBondContact O-N 3.34Å; K297-D300 PolarHBondContact O-N 2.9Å; I298-D300 PolarHBondContact O-N 3.28Å; I298-D300 VanDerWaalsContact O-N 3.16Å; D300-K606 IonicContact OD1-NZ 2.65Å; D300-K606 PolarHBondContact OD1-NZ 3.34Å; D300-K606 VanDerWaalsContact OD2-CE 3.24Å; D300-K606 WeakPolarHBondContact OD2-CE 3.31Å; D300-K606 IonicContact OD2-NZ 3.04Å; D300-K606 PolarHBondContact OD2-NZ 2.87Å; D300-T692 HydrophobicContact CB-CG2 3.43Å; D300-T692 VanDerWaalsContact CB-CG2 3.43Å
301	C	82.4	Confident	87.1	Confident	13 Å²	13	53.6 Å²	53.6	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-102	-8.1	178	-64.7	0	0	0	0	114	K297 I298 I299 E303 I382 T386 T692	K297-C301 PolarHBondContact O-N 3.23Å; K297-C301 PolarHBondContact O-SG 3.26Å; I298-C301 CarbonylContact O-C 3.58Å; I298-C301 WeakPolarHBondContact O-CA 3.32Å; I298-C301 PolarHBondContact O-N 3.31Å; I299-C301 VanDerWaalsContact C-N 3.26Å; I299-C301 PolarHBondContact O-N 3.17Å; C301-E303 PolarHBondContact O-N 3.12Å; C301-I382 HydrophobicContact CB-CD1 3.87Å; C301-I382 HydrophobicContact CB-CG1 4.48Å; C301-T386 HydrophobicContact CB-CG2 3.68Å; C301-T386 VanDerWaalsContact SG-CG2 3.52Å; C301-T692 WeakPolarHBondContact SG-CB 3.27Å; C301-T692 VanDerWaalsContact SG-CG2 3.53Å; C301-T692 PolarHBondContact SG-OG1 3.32Å
302	L	84.6	Confident	87.8	Confident	24 Å²	24	57.1 Å²	57.1	13%	0.126	28%	0.278	C	S	.	.			trans	-73.4	126.5	-174.8	-75	175.8	0	0	0	111.4	L281 I298 I299 L380 I382	L281-L302 HydrophobicContact CD1-CD1 3.76Å; L281-L302 HydrophobicContact CD2-CD1 3.92Å; L281-L302 HydrophobicContact CG-CD1 4.29Å; I298-L302 HydrophobicContact CG2-CD1 4.15Å; I298-L302 HydrophobicContact CG2-CD2 4.13Å; I298-L302 HydrophobicContact CG2-CG 4.02Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.37Å; I298-L302 VanDerWaalsContact O-N 3.09Å; I299-L302 PolarHBondContact O-N 3.21Å; L302-L380 HydrophobicContact CD1-CB 4.35Å; L302-L380 HydrophobicContact CD1-CD1 4Å; L302-L380 HydrophobicContact CD2-CB 3.98Å; L302-I382 HydrophobicContact CD2-CB 4.38Å
303	E	85.7	Confident	88.3	Confident	132 Å²	132	54 Å²	54	62%	0.617	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	155.2	167.8	-59.9	-166.9	160.2	0	0	110.1	C301 L380 V381	C301-E303 PolarHBondContact O-N 3.12Å; E303-L380 CarbonylContact O-C 3.58Å; E303-L380 VanDerWaalsContact O-CA 3.25Å; E303-L380 WeakPolarHBondContact O-CA 3.29Å; E303-V381 PolarHBondContact N-O 3.24Å; E303-V381 VanDerWaalsContact N-O 3.09Å; E303-V381 PolarHBondContact O-N 3.44Å
304	V	88.6	Confident	89	Confident	50 Å²	50	51.4 Å²	51.4	30%	0.303	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.5	176.6	-170.6	0	0	0	0	108.8	Y277 Y306 A378 C379 L380	Y277-V304 WeakPolarHBondContact OH-CG2 3.48Å; V304-Y306 HydrophobicContact CB-CE2 4.48Å; V304-Y306 HydrophobicContact CG1-CE1 4.34Å; V304-Y306 HydrophobicContact CG1-CE2 3.89Å; V304-A378 HydrophobicContact CG1-CB 4.4Å; V304-C379 WeakPolarHBondContact CA-O 3.31Å; V304-L380 HydrophobicContact CG1-CD2 4.48Å; V304-L380 HydrophobicContact CG2-CD2 3.75Å
305	E	93.2	Very high	89.4	Confident	68 Å²	68	55.1 Å²	55.1	32%	0.318	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.1	173.6	-68.3	-175.2	169.3	0	0	110.6	Y307 A378 C379 V381	E305-Y307 HydrophobicContact CB-CD2 4.5Å; E305-Y307 HydrophobicContact CB-CE2 3.64Å; E305-Y307 PolarHBondContact OE2-OH 3.24Å; E305-A378 WeakPolarHBondContact O-CA 3.38Å; E305-C379 PolarHBondContact N-O 2.84Å; E305-C379 PolarHBondContact O-N 3.01Å; E305-V381 HydrophobicContact CB-CG2 3.97Å; E305-V381 HydrophobicContact CG-CG2 3.74Å
306	Y	93.8	Very high	89.5	Confident	162 Å²	162	57.9 Å²	57.9	64%	0.635	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.7	-178.4	-61.9	-88.4	0	0	0	110.5	V304 V377 A378	V304-Y306 HydrophobicContact CB-CE2 4.48Å; V304-Y306 HydrophobicContact CG1-CE1 4.34Å; V304-Y306 HydrophobicContact CG1-CE2 3.89Å; Y306-V377 CarbonylContact C-O 3.58Å; Y306-V377 VanDerWaalsContact CA-O 3.28Å; Y306-V377 WeakPolarHBondContact CA-O 3.43Å; Y306-A378 HydrophobicContact CD1-CB 3.95Å; Y306-A378 HydrophobicContact CE1-CB 3.87Å
307	Y	95.3	Very high	89.3	Confident	36 Å²	36	59.9 Å²	59.9	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.9	-176.6	-63.7	-88.3	0	0	0	110	E305 D311 I313 D376 V377 C379	E305-Y307 HydrophobicContact CB-CD2 4.5Å; E305-Y307 HydrophobicContact CB-CE2 3.64Å; E305-Y307 PolarHBondContact OE2-OH 3.24Å; Y307-D311 HydrophobicContact CD1-CB 4.14Å; Y307-I313 HydrophobicContact CD1-CB 4.47Å; Y307-I313 HydrophobicContact CD1-CG1 3.73Å; Y307-I313 HydrophobicContact CD2-CD1 4.12Å; Y307-I313 HydrophobicContact CD2-CG1 3.93Å; Y307-I313 HydrophobicContact CE1-CB 4.23Å; Y307-I313 HydrophobicContact CE1-CG1 3.97Å; Y307-I313 HydrophobicContact CE1-CG2 4.22Å; Y307-I313 HydrophobicContact CE2-CG1 4.2Å; Y307-I313 HydrophobicContact CE2-CG2 3.97Å; Y307-I313 HydrophobicContact CG-CD1 4.17Å; Y307-I313 HydrophobicContact CG-CG1 3.68Å; Y307-D376 PolarHBondContact O-N 3.45Å; Y307-V377 PolarHBondContact N-O 3.09Å; Y307-V377 PolarHBondContact O-N 2.95Å; Y307-C379 HydrophobicContact CE2-CB 4.41Å
308	D	96.5	Very high	89.3	Confident	80 Å²	80	61.6 Å²	61.6	43%	0.428	31%	0.306	S	S	.	.			trans	-96.4	165.1	176	-79	-36	0	0	0	112	G310 D311 A372 E374 D376	D308-G310 PolarHBondContact O-N 3.39Å; D308-D311 PolarHBondContact N-OD2 2.67Å; D308-D311 VanDerWaalsContact O-CB 3.23Å; D308-D311 WeakPolarHBondContact O-CB 3.36Å; D308-D311 PolarHBondContact O-N 3.17Å; D308-A372 VanDerWaalsContact O-CB 3.23Å; D308-A372 WeakPolarHBondContact O-CB 3.37Å; D308-E374 CarbonylContact C-O 3.57Å; D308-D376 PolarHBondContact OD1-N 3.48Å
309	K	96.5	Very high	89	Confident	147 Å²	147	70 Å²	70	64%	0.639	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.3	-176	179	176.5	-178.3	-178.6	0	110.8	E373 E374 N375	K309-E373 WeakPolarHBondContact CD-O 3.45Å; K309-E373 WeakPolarHBondContact CG-O 3.5Å; K309-E374 WeakPolarHBondContact CA-O 3.18Å; K309-E374 PolarHBondContact N-O 3.12Å; K309-N375 WeakPolarHBondContact CB-OD1 3.3Å; K309-N375 PolarHBondContact N-OD1 3.38Å
310	G	93.6	Very high	88.2	Confident	40 Å²	40	70.1 Å²	70.1	41%	0.412	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-9.5	-179.3	0	0	0	0	0	114	D308 A372	D308-G310 PolarHBondContact O-N 3.39Å; G310-A372 PolarHBondContact N-O 3.2Å
311	D	96.6	Very high	88	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	36%	0.356	S	S	.	.			trans	-66.2	137.4	174.8	-71.1	-15.5	0	0	0	110.8	Y307 D308 I371 A372	Y307-D311 HydrophobicContact CD1-CB 4.14Å; D308-D311 PolarHBondContact N-OD2 2.67Å; D308-D311 VanDerWaalsContact O-CB 3.23Å; D308-D311 WeakPolarHBondContact O-CB 3.36Å; D308-D311 PolarHBondContact O-N 3.17Å; D311-I371 CarbonylContact O-C 3.59Å; D311-I371 VanDerWaalsContact O-CA 3.31Å; D311-I371 WeakPolarHBondContact O-CA 3.39Å; D311-A372 PolarHBondContact O-N 2.89Å
312	Y	94.5	Very high	88.1	Confident	95 Å²	95	71.8 Å²	71.8	37%	0.373	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.2	171.9	-76.4	-109.7	0	0	0	108.3	R315 N369 I370 I371	Y312-R315 HydrophobicContact CD1-CG 3.93Å; Y312-R315 VanDerWaalsContact CD1-NH1 3.34Å; Y312-R315 VanDerWaalsContact CD2-NH1 3.32Å; Y312-R315 HydrophobicContact CG-CG 4.21Å; Y312-N369 HydrophobicContact CD1-CB 4.1Å; Y312-N369 HydrophobicContact CE1-CB 3.93Å; Y312-I370 CarbonylContact C-O 3.56Å; Y312-I371 HydrophobicContact CD1-CD1 4.14Å; Y312-I371 HydrophobicContact CD1-CG1 3.74Å; Y312-I371 HydrophobicContact CD2-CG1 4.35Å; Y312-I371 HydrophobicContact CE1-CD1 3.53Å; Y312-I371 HydrophobicContact CE1-CG1 3.68Å; Y312-I371 HydrophobicContact CE2-CD1 4.14Å; Y312-I371 HydrophobicContact CE2-CG1 4.29Å; Y312-I371 HydrophobicContact CG-CG1 4.09Å
313	I	93.5	Very high	88.2	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-39.2	173.3	-54	175.2	0	0	0	109.6	Y307 F324 V331 F355 I370 V377	Y307-I313 HydrophobicContact CD1-CB 4.47Å; Y307-I313 HydrophobicContact CD1-CG1 3.73Å; Y307-I313 HydrophobicContact CD2-CD1 4.12Å; Y307-I313 HydrophobicContact CD2-CG1 3.93Å; Y307-I313 HydrophobicContact CE1-CB 4.23Å; Y307-I313 HydrophobicContact CE1-CG1 3.97Å; Y307-I313 HydrophobicContact CE1-CG2 4.22Å; Y307-I313 HydrophobicContact CE2-CG1 4.2Å; Y307-I313 HydrophobicContact CE2-CG2 3.97Å; Y307-I313 HydrophobicContact CG-CD1 4.17Å; Y307-I313 HydrophobicContact CG-CG1 3.68Å; I313-F324 HydrophobicContact CG2-CD1 4.1Å; I313-F324 HydrophobicContact CG2-CE1 3.96Å; I313-F324 HydrophobicContact CG2-CZ 4.25Å; I313-V331 HydrophobicContact CD1-CB 4.41Å; I313-V331 HydrophobicContact CD1-CG1 3.52Å; I313-F355 HydrophobicContact CD1-CZ 4.25Å; I313-F355 HydrophobicContact CG2-CE2 3.78Å; I313-F355 HydrophobicContact CG2-CZ 3.94Å; I313-I370 HydrophobicContact CB-CB 4.3Å; I313-I370 HydrophobicContact CB-CG2 4.23Å; I313-I370 HydrophobicContact CD1-CG2 4.2Å; I313-I370 PolarHBondContact N-O 3.3Å; I313-V377 HydrophobicContact CD1-CG1 4.21Å
314	I	90.3	Very high	88.4	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.8	173.3	-68.3	177.8	0	0	0	107.8	E318 F324 F355 R366 A368 N369 I370	I314-E318 VanDerWaalsContact CA-OE1 3.31Å; I314-E318 WeakPolarHBondContact CA-OE1 3.48Å; I314-F324 HydrophobicContact CD1-CD2 3.98Å; I314-F324 HydrophobicContact CD1-CE2 3.89Å; I314-F324 HydrophobicContact CG1-CD2 4.47Å; I314-F324 HydrophobicContact CG1-CE2 3.99Å; I314-F355 HydrophobicContact CD1-CD2 3.68Å; I314-F355 HydrophobicContact CD1-CE2 3.97Å; I314-F355 HydrophobicContact CG1-CE2 4.44Å; I314-R366 HydrophobicContact CG2-CB 3.6Å; I314-R366 HydrophobicContact CG2-CG 3.53Å; I314-A368 WeakPolarHBondContact CG2-O 3.19Å; I314-N369 CarbonylContact O-C 3.49Å; I314-N369 VanDerWaalsContact O-CA 3.27Å; I314-N369 WeakPolarHBondContact O-CA 3.47Å; I314-I370 HydrophobicContact CB-CB 4.01Å; I314-I370 HydrophobicContact CB-CG1 3.82Å; I314-I370 HydrophobicContact CD1-CG1 4.05Å; I314-I370 HydrophobicContact CG1-CG1 4.28Å; I314-I370 HydrophobicContact CG2-CG1 4.47Å; I314-I370 PolarHBondContact N-O 3.2Å; I314-I370 PolarHBondContact O-N 3.38Å
315	R	89.7	Confident	88.5	Confident	125 Å²	125	62.6 Å²	62.6	47%	0.472	32%	0.315	S	S	.	.			trans	-105	137.2	170.7	-60	-174.6	178.3	-76.5	-3.2	110.8	Y312 G317 E318 R366	Y312-R315 HydrophobicContact CD1-CG 3.93Å; Y312-R315 VanDerWaalsContact CD1-NH1 3.34Å; Y312-R315 VanDerWaalsContact CD2-NH1 3.32Å; Y312-R315 HydrophobicContact CG-CG 4.21Å; R315-G317 PolarHBondContact O-N 3.35Å; R315-E318 HydrophobicContact CB-CG 4.48Å; R315-E318 WeakPolarHBondContact CB-OE2 3.43Å; R315-E318 VanDerWaalsContact N-CD 3.31Å; R315-E318 PolarHBondContact N-OE1 3.21Å; R315-E318 VanDerWaalsContact O-CG 3.26Å; R315-E318 WeakPolarHBondContact O-CG 3.43Å; R315-E318 PolarHBondContact O-N 3.4Å; R315-R366 VanDerWaalsContact O-CB 3.27Å; R315-R366 WeakPolarHBondContact O-CB 3.49Å
316	E	86.7	Confident	88.4	Confident	58 Å²	58	59.3 Å²	59.3	27%	0.271	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	135.3	172.2	-176.3	178.5	-178.7	0	0	110.4	E318 S336 R366 N369	E316-E318 VanDerWaalsContact C-N 3.34Å; E316-E318 PolarHBondContact O-N 3.41Å; E316-S336 WeakPolarHBondContact OE1-CB 3.28Å; E316-S336 PolarHBondContact OE1-N 3.18Å; E316-S336 PolarHBondContact OE1-OG 2.93Å; E316-S336 PolarHBondContact OE2-N 2.91Å; E316-S336 PolarHBondContact OE2-OG 3.22Å; E316-R366 CarbonylContact C-O 3.58Å; E316-R366 WeakPolarHBondContact CA-O 3.35Å; E316-N369 WeakPolarHBondContact CB-ND2 3.23Å; E316-N369 PolarHBondContact N-OD1 3.39Å; E316-N369 PolarHBondContact OE2-ND2 2.91Å
317	G	80.4	Confident	88.3	Confident	49 Å²	49	52.8 Å²	52.8	51%	0.505	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-8.8	179.6	0	0	0	0	0	115.5	R315 R366	R315-G317 PolarHBondContact O-N 3.35Å; G317-R366 PolarHBondContact N-O 3.29Å
318	E	82.3	Confident	88.2	Confident	71 Å²	71	56.2 Å²	56.2	33%	0.332	30%	0.295	S	S	.	.	S	Bend	trans	-78.5	151.3	176.3	84.1	-166.5	164.9	0	0	111.6	I314 R315 E316 G320 V365 R366	I314-E318 VanDerWaalsContact CA-OE1 3.31Å; I314-E318 WeakPolarHBondContact CA-OE1 3.48Å; R315-E318 HydrophobicContact CB-CG 4.48Å; R315-E318 WeakPolarHBondContact CB-OE2 3.43Å; R315-E318 VanDerWaalsContact N-CD 3.31Å; R315-E318 PolarHBondContact N-OE1 3.21Å; R315-E318 VanDerWaalsContact O-CG 3.26Å; R315-E318 WeakPolarHBondContact O-CG 3.43Å; R315-E318 PolarHBondContact O-N 3.4Å; E316-E318 VanDerWaalsContact C-N 3.34Å; E316-E318 PolarHBondContact O-N 3.41Å; E318-G320 PolarHBondContact O-N 3Å; E318-V365 CarbonylContact O-C 3.58Å; E318-V365 WeakPolarHBondContact O-CA 3.37Å; E318-R366 HydrophobicContact CG-CB 4.24Å; E318-R366 HydrophobicContact CG-CG 3.71Å; E318-R366 VanDerWaalsContact O-CG 3.27Å; E318-R366 WeakPolarHBondContact O-CG 3.35Å; E318-R366 PolarHBondContact O-N 2.87Å
319	E	76.3	Confident	88.1	Confident	179 Å²	179	53.1 Å²	53.1	84%	0.836	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-72.1	127.4	169.5	-69.6	-178.8	-177.1	0	0	109.4	V365	E319-V365 HydrophobicContact CG-CG1 4.41Å
320	G	71.1	Confident	88.1	Confident	12 Å²	12	50 Å²	50	12%	0.124	27%	0.268	C	S	.	.			trans	-123.9	141.6	-178.3	0	0	0	0	0	112	E318 A359	E318-G320 PolarHBondContact O-N 3Å; G320-A359 WeakPolarHBondContact O-CB 3.33Å
321	S	77.1	Confident	88.2	Confident	54 Å²	54	48.1 Å²	48.1	38%	0.378	25%	0.249	S	C	.	.			trans	-132.3	10.9	173.5	60.7	0	0	0	0	112.6	D383 R384	S321-D383 CarbonylContact O-C 3.58Å; S321-R384 WeakPolarHBondContact O-CA 3.47Å; S321-R384 WeakPolarHBondContact O-CB 3.34Å; S321-R384 PolarHBondContact O-N 2.84Å
322	T	84.7	Confident	88.2	Confident	35 Å²	35	48.1 Å²	48.1	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.3	-174.1	49.1	0	0	0	0	112.4	F324 R366 V381 D383	T322-F324 WeakPolarHBondContact OG1-CE2 3.29Å; T322-F324 VanDerWaalsContact OG1-CZ 3.32Å; T322-F324 WeakPolarHBondContact OG1-CZ 3.17Å; T322-R366 PolarHBondContact O-NH1 3.28Å; T322-R366 PolarHBondContact O-NH2 2.89Å; T322-R366 PolarHBondContact OG1-NH2 3.3Å; T322-V381 HydrophobicContact CG2-CG1 4.27Å; T322-D383 HydrophobicContact CG2-CB 4.13Å
323	F	85.4	Confident	88.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.1	173.7	172.7	-116.8	0	0	0	110	L286 I325 Y354 E357 L360 V381 I382	L286-F323 HydrophobicContact CD2-CE2 4.32Å; L286-F323 HydrophobicContact CD2-CZ 3.82Å; F323-I325 HydrophobicContact CD1-CG1 4.32Å; F323-I325 HydrophobicContact CE1-CD1 3.83Å; F323-I325 HydrophobicContact CE1-CG1 3.58Å; F323-I325 HydrophobicContact CZ-CD1 4.42Å; F323-I325 HydrophobicContact CZ-CG1 3.88Å; F323-Y354 AromaticContact CE2-CD2 3.62Å; F323-Y354 HydrophobicContact CE2-CD2 3.62Å; F323-Y354 AromaticContact CE2-CG 3.89Å; F323-Y354 HydrophobicContact CE2-CG 3.89Å; F323-Y354 HydrophobicContact CZ-CD2 4.06Å; F323-Y354 AromaticContact CZ-CG 3.92Å; F323-Y354 HydrophobicContact CZ-CG 3.92Å; F323-E357 HydrophobicContact CD2-CB 4Å; F323-E357 HydrophobicContact CE2-CB 3.9Å; F323-L360 HydrophobicContact CB-CD1 3.57Å; F323-L360 HydrophobicContact CB-CD2 3.84Å; F323-L360 HydrophobicContact CB-CG 3.75Å; F323-L360 HydrophobicContact CD1-CD1 4.24Å; F323-L360 HydrophobicContact CD2-CD1 4.14Å; F323-L360 HydrophobicContact CG-CD1 3.74Å; F323-L360 HydrophobicContact CG-CG 4.4Å; F323-V381 WeakPolarHBondContact O-CA 3.37Å; F323-I382 HydrophobicContact CB-CG2 3.89Å; F323-I382 HydrophobicContact CD1-CG2 3.61Å; F323-I382 HydrophobicContact CG-CG2 4.23Å; F323-I382 PolarHBondContact N-O 3.46Å; F323-I382 PolarHBondContact O-N 3.03Å
324	F	89.8	Confident	88	Confident	7 Å²	7	44.1 Å²	44.1	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.3	-174.4	-62	-95.4	0	0	0	111.1	I313 I314 T322 Y354 F355 C379 L380 V381	I313-F324 HydrophobicContact CG2-CD1 4.1Å; I313-F324 HydrophobicContact CG2-CE1 3.96Å; I313-F324 HydrophobicContact CG2-CZ 4.25Å; I314-F324 HydrophobicContact CD1-CD2 3.98Å; I314-F324 HydrophobicContact CD1-CE2 3.89Å; I314-F324 HydrophobicContact CG1-CD2 4.47Å; I314-F324 HydrophobicContact CG1-CE2 3.99Å; T322-F324 WeakPolarHBondContact OG1-CE2 3.29Å; T322-F324 VanDerWaalsContact OG1-CZ 3.32Å; T322-F324 WeakPolarHBondContact OG1-CZ 3.17Å; F324-Y354 CarbonylContact O-C 3.57Å; F324-Y354 VanDerWaalsContact O-CA 3.23Å; F324-Y354 WeakPolarHBondContact O-CA 3.2Å; F324-Y354 VanDerWaalsContact O-CB 3.29Å; F324-Y354 WeakPolarHBondContact O-CB 3.17Å; F324-F355 HydrophobicContact CB-CD1 4.41Å; F324-F355 HydrophobicContact CB-CD2 3.74Å; F324-F355 HydrophobicContact CB-CE1 4.02Å; F324-F355 HydrophobicContact CB-CE2 3.3Å; F324-F355 HydrophobicContact CB-CG 4.29Å; F324-F355 HydrophobicContact CB-CZ 3.45Å; F324-F355 VanDerWaalsContact CB-CZ 3.45Å; F324-F355 HydrophobicContact CD1-CE2 4.24Å; F324-F355 HydrophobicContact CD1-CZ 4.46Å; F324-F355 HydrophobicContact CD2-CD2 4Å; F324-F355 AromaticContact CD2-CE2 3.66Å; F324-F355 HydrophobicContact CD2-CE2 3.66Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.49Å; F324-F355 HydrophobicContact CG-CE2 3.49Å; F324-F355 VanDerWaalsContact CG-CE2 3.49Å; F324-F355 AromaticContact CG-CZ 3.96Å; F324-F355 HydrophobicContact CG-CZ 3.96Å; F324-F355 PolarHBondContact N-O 2.94Å; F324-F355 PolarHBondContact O-N 3.38Å; F324-C379 HydrophobicContact CD1-CB 3.93Å; F324-L380 CarbonylContact C-O 3.55Å; F324-L380 WeakPolarHBondContact CA-O 3.44Å; F324-V381 HydrophobicContact CD1-CB 4.34Å; F324-V381 HydrophobicContact CD1-CG1 4.08Å; F324-V381 HydrophobicContact CD1-CG2 3.57Å; F324-V381 HydrophobicContact CE1-CB 4.34Å; F324-V381 HydrophobicContact CE1-CG1 3.76Å; F324-V381 HydrophobicContact CE1-CG2 3.63Å; F324-V381 HydrophobicContact CZ-CG1 4.22Å
325	I	90.9	Very high	87.8	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.1	171.8	-50.8	172.3	0	0	0	108.2	F280 L281 V284 L287 F323 A327 C379 L380	F280-I325 HydrophobicContact CE1-CG2 3.74Å; F280-I325 HydrophobicContact CZ-CG2 4.03Å; L281-I325 HydrophobicContact CD2-CD1 3.56Å; V284-I325 HydrophobicContact CG2-CG2 3.77Å; L287-I325 HydrophobicContact CD1-CD1 3.64Å; F323-I325 HydrophobicContact CD1-CG1 4.32Å; F323-I325 HydrophobicContact CE1-CD1 3.83Å; F323-I325 HydrophobicContact CE1-CG1 3.58Å; F323-I325 HydrophobicContact CZ-CD1 4.42Å; F323-I325 HydrophobicContact CZ-CG1 3.88Å; I325-A327 PolarHBondContact O-N 2.9Å; I325-A327 VanDerWaalsContact O-N 3.16Å; I325-C379 CarbonylContact O-C 3.4Å; I325-C379 WeakPolarHBondContact O-CA 3.36Å; I325-L380 HydrophobicContact CB-CB 4.24Å; I325-L380 PolarHBondContact N-O 2.99Å; I325-L380 PolarHBondContact O-N 3.48Å
326	L	92.3	Very high	87.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.1	-176.1	-173.6	58.5	0	0	0	110.8	F280 K328 V331 L349 K351 G352 E353 F355 V377	F280-L326 WeakPolarHBondContact CZ-O 2.95Å; L326-K328 WeakPolarHBondContact CD1-O 3.19Å; L326-V331 HydrophobicContact CD1-CG1 4.02Å; L326-V331 HydrophobicContact CD2-CG1 4.24Å; L326-V331 HydrophobicContact CD2-CG2 4.1Å; L326-L349 HydrophobicContact CD2-CB 4.43Å; L326-K351 WeakPolarHBondContact O-CA 3.35Å; L326-G352 PolarHBondContact O-N 2.7Å; L326-E353 WeakPolarHBondContact CB-O 3.28Å; L326-E353 PolarHBondContact N-O 2.73Å; L326-F355 HydrophobicContact CB-CE1 4.5Å; L326-V377 HydrophobicContact CD1-CG1 3.68Å
327	A	91.4	Very high	87.4	Confident	24 Å²	24	44 Å²	44	20%	0.198	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-29.8	-178.3	0	0	0	0	0	113.5	F280 I325 K351 A378 L380	F280-A327 HydrophobicContact CE1-CB 4.15Å; F280-A327 HydrophobicContact CZ-CB 4.27Å; I325-A327 PolarHBondContact O-N 2.9Å; I325-A327 VanDerWaalsContact O-N 3.16Å; A327-K351 VanDerWaalsContact O-CD 3.31Å; A327-K351 WeakPolarHBondContact O-CD 3.27Å; A327-K351 VanDerWaalsContact O-CE 3.29Å; A327-K351 WeakPolarHBondContact O-CE 3.3Å; A327-K351 WeakPolarHBondContact O-CG 3.36Å; A327-A378 PolarHBondContact N-O 3.49Å; A327-L380 HydrophobicContact CB-CD1 4.47Å; A327-L380 HydrophobicContact CB-CD2 4.15Å; A327-L380 HydrophobicContact CB-CG 4.01Å
328	K	93.2	Very high	87.1	Confident	109 Å²	109	51.2 Å²	51.2	47%	0.474	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.4	179.9	-175.3	-171.1	166.2	-145.2	0	110.9	L326 D376 V377 A378	L326-K328 WeakPolarHBondContact CD1-O 3.19Å; K328-D376 PolarHBondContact NZ-O 3.3Å; K328-V377 WeakPolarHBondContact O-CA 3.43Å; K328-A378 HydrophobicContact CB-CB 3.89Å; K328-A378 PolarHBondContact N-O 3Å; K328-A378 PolarHBondContact O-N 3.33Å
329	G	93.7	Very high	86.8	Confident	15 Å²	15	51.8 Å²	51.8	16%	0.155	29%	0.292	C	S	.	.	S	Bend	trans	88.9	-163.2	174.5	0	0	0	0	0	113.2	E374	G329-E374 WeakPolarHBondContact CA-OE2 3.35Å
330	K	96.1	Very high	86.8	Confident	81 Å²	81	48.6 Å²	48.6	35%	0.352	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.3	179.3	-65.7	-179.8	-172.7	164.1	0	110.8	T348 L349 Q350 E373 E374	K330-T348 HydrophobicContact CB-CG2 4.26Å; K330-T348 HydrophobicContact CD-CG2 4.48Å; K330-L349 WeakPolarHBondContact CA-O 3.46Å; K330-Q350 HydrophobicContact CG-CG 4.4Å; K330-E373 HydrophobicContact CB-CB 4.43Å; K330-E373 PolarHBondContact O-N 2.95Å; K330-E374 WeakPolarHBondContact CD-OE1 3.35Å
331	V	96.7	Very high	87	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.3	175.8	-53.2	0	0	0	0	109.4	I313 L326 T348 L349 F355 I370 I371 V377	I313-V331 HydrophobicContact CD1-CB 4.41Å; I313-V331 HydrophobicContact CD1-CG1 3.52Å; L326-V331 HydrophobicContact CD1-CG1 4.02Å; L326-V331 HydrophobicContact CD2-CG1 4.24Å; L326-V331 HydrophobicContact CD2-CG2 4.1Å; V331-T348 CarbonylContact O-C 3.56Å; V331-T348 WeakPolarHBondContact O-CA 3.45Å; V331-L349 HydrophobicContact CG2-CB 3.73Å; V331-L349 HydrophobicContact CG2-CD1 4.19Å; V331-L349 HydrophobicContact CG2-CG 4.34Å; V331-L349 PolarHBondContact N-O 3.03Å; V331-L349 VanDerWaalsContact N-O 3.11Å; V331-L349 PolarHBondContact O-N 3.19Å; V331-F355 HydrophobicContact CG2-CD1 4.5Å; V331-F355 HydrophobicContact CG2-CE1 4.11Å; V331-I370 HydrophobicContact CB-CG2 3.85Å; V331-I370 HydrophobicContact CG1-CG2 4.45Å; V331-I370 HydrophobicContact CG2-CG2 3.66Å; V331-I371 CarbonylContact C-O 3.41Å; V331-I371 VanDerWaalsContact CA-O 3.26Å; V331-I371 WeakPolarHBondContact CA-O 3.29Å; V331-V377 HydrophobicContact CG1-CG1 3.79Å
332	K	95.8	Very high	87.2	Confident	73 Å²	73	60.9 Å²	60.9	32%	0.317	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.9	173.4	63.8	179.8	-178.4	-178.6	0	110.6	T334 L345 I370 I371 E373	K332-T334 HydrophobicContact CD-CG2 4.41Å; K332-T334 HydrophobicContact CG-CG2 4.43Å; K332-L345 HydrophobicContact CB-CD1 3.69Å; K332-I370 WeakPolarHBondContact O-CA 3.42Å; K332-I371 HydrophobicContact CG-CB 3.91Å; K332-I371 PolarHBondContact N-O 2.83Å; K332-I371 PolarHBondContact O-N 3.16Å; K332-E373 HydrophobicContact CB-CG 3.83Å; K332-E373 HydrophobicContact CD-CG 4.13Å; K332-E373 HydrophobicContact CG-CG 3.89Å
333	V	93.3	Very high	87.3	Confident	11 Å²	11	62 Å²	62	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.3	176.6	-172.8	0	0	0	0	108.1	I346 K347 L349 A368 N369 I370	V333-I346 HydrophobicContact CG1-CB 4.39Å; V333-I346 PolarHBondContact O-N 2.99Å; V333-K347 HydrophobicContact CB-CG 3.92Å; V333-K347 WeakPolarHBondContact CB-O 3.48Å; V333-K347 HydrophobicContact CG2-CG 3.75Å; V333-K347 PolarHBondContact N-O 3.19Å; V333-L349 HydrophobicContact CG2-CD1 3.87Å; V333-L349 HydrophobicContact CG2-CG 3.89Å; V333-A368 HydrophobicContact CG1-CB 3.83Å; V333-N369 WeakPolarHBondContact CA-O 3.19Å; V333-I370 HydrophobicContact CB-CD1 4.07Å; V333-I370 HydrophobicContact CG1-CD1 3.81Å; V333-I370 HydrophobicContact CG2-CD1 3.56Å
334	T	90.8	Very high	87.5	Confident	13 Å²	13	65.3 Å²	65.3	8%	0.08	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.4	178	66	0	0	0	0	111.4	K332 Q344 L345 N369	K332-T334 HydrophobicContact CD-CG2 4.41Å; K332-T334 HydrophobicContact CG-CG2 4.43Å; T334-Q344 CarbonylContact C-O 3.58Å; T334-Q344 WeakPolarHBondContact CA-O 3.41Å; T334-Q344 WeakPolarHBondContact CB-O 3.47Å; T334-L345 HydrophobicContact CG2-CD1 4.27Å; T334-N369 PolarHBondContact N-O 3.41Å; T334-N369 WeakPolarHBondContact O-CB 3.35Å; T334-N369 PolarHBondContact O-N 3.39Å; T334-N369 PolarHBondContact O-ND2 2.59Å; T334-N369 WeakPolarHBondContact OG1-CB 3.34Å
335	Q	87.3	Confident	87.5	Confident	68 Å²	68	70 Å²	70	32%	0.318	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.8	-177.7	-175.6	174.9	30.8	0	0	110.7	P343 Q344 I346 S367 A368	Q335-P343 CarbonylContact O-C 3.57Å; Q335-P343 WeakPolarHBondContact O-CA 3.09Å; Q335-Q344 PolarHBondContact N-O 2.88Å; Q335-Q344 PolarHBondContact O-N 3.06Å; Q335-I346 HydrophobicContact CB-CD1 4.04Å; Q335-I346 HydrophobicContact CB-CG1 3.75Å; Q335-S367 WeakPolarHBondContact CG-O 3.36Å; Q335-S367 PolarHBondContact NE2-O 3.32Å; Q335-A368 HydrophobicContact CB-CB 4.19Å
336	S	85.8	Confident	87.4	Confident	67 Å²	67	74.1 Å²	74.1	47%	0.469	40%	0.4	S	S	.	.			trans	-72.7	126.4	173.7	-53.8	0	0	0	0	110	E316	E316-S336 WeakPolarHBondContact OE1-CB 3.28Å; E316-S336 PolarHBondContact OE1-N 3.18Å; E316-S336 PolarHBondContact OE1-OG 2.93Å; E316-S336 PolarHBondContact OE2-N 2.91Å; E316-S336 PolarHBondContact OE2-OG 3.22Å
337	T	81.1	Confident	87.4	Confident	51 Å²	51	79.3 Å²	79.3	31%	0.313	42%	0.423	S	S	.	.			trans	-122.5	144	-177.7	54.1	0	0	0	0	110.4	G339 H340 Q344	T337-G339 PolarHBondContact O-N 3.4Å; T337-H340 PolarHBondContact O-N 3.43Å; T337-Q344 WeakPolarHBondContact OG1-CG 3.23Å
338	E	75.4	Confident	87.5	Confident	200 Å²	200	80.7 Å²	80.7	94%	0.935	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	129.1	177.1	-71.2	-174.8	167	0	0	111.4
339	G	74.6	Confident	87.4	Confident	82 Å²	82	75.7 Å²	75.7	85%	0.845	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	1.5	178.6	0	0	0	0	0	116.1	T337	T337-G339 PolarHBondContact O-N 3.4Å
340	H	77.1	Confident	87.4	Confident	112 Å²	112	80.1 Å²	80.1	52%	0.519	42%	0.424	S	S	.	.			trans	-125.8	131.3	175.6	-70.1	-79.8	0	0	0	112.2	T337 Q342 Q344	T337-H340 PolarHBondContact O-N 3.43Å; H340-Q342 VanDerWaalsContact C-N 3.27Å; H340-Q342 PolarHBondContact O-N 2.97Å; H340-Q344 HydrophobicContact CB-CG 4.18Å
341	D	75.7	Confident	87.3	Confident	175 Å²	175	82.9 Å²	82.9	94%	0.936	44%	0.436	S	S	*	.	S	Bend	trans	-73	-16.6	178.7	-68	-27.6	0	0	0	113.7
342	Q	80.8	Confident	86.8	Confident	149 Å²	149	83.6 Å²	83.6	70%	0.696	44%	0.443	S	S	*	.	S	Bend	trans	-122.9	143.9	178.6	-67.3	-170.4	-1.5	0	0	111.7	H340 Q344	H340-Q342 VanDerWaalsContact C-N 3.27Å; H340-Q342 PolarHBondContact O-N 2.97Å; Q342-Q344 PolarHBondContact O-N 2.88Å; Q342-Q344 PolarHBondContact O-NE2 2.84Å
343	P	86.6	Confident	86.5	Confident	58 Å²	58	84 Å²	84	38%	0.377	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-54.9	130.9	175.2	-25.5	33.9	0	0	0	112.2	Q335	Q335-P343 CarbonylContact O-C 3.57Å; Q335-P343 WeakPolarHBondContact O-CA 3.09Å
344	Q	88.9	Confident	86.3	Confident	74 Å²	74	86.4 Å²	86.4	35%	0.346	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.6	-177.6	-63	-58.1	-57	0	0	111.3	T334 Q335 T337 H340 Q342 I346	T334-Q344 CarbonylContact C-O 3.58Å; T334-Q344 WeakPolarHBondContact CA-O 3.41Å; T334-Q344 WeakPolarHBondContact CB-O 3.47Å; Q335-Q344 PolarHBondContact N-O 2.88Å; Q335-Q344 PolarHBondContact O-N 3.06Å; T337-Q344 WeakPolarHBondContact OG1-CG 3.23Å; H340-Q344 HydrophobicContact CB-CG 4.18Å; Q342-Q344 PolarHBondContact O-N 2.88Å; Q342-Q344 PolarHBondContact O-NE2 2.84Å; Q344-I346 PolarHBondContact O-N 3.31Å
345	L	89.9	Confident	86.2	Confident	107 Å²	107	86.1 Å²	86.1	56%	0.56	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.5	175.4	179.3	67	0	0	0	110.5	K332 T334	K332-L345 HydrophobicContact CB-CD1 3.69Å; T334-L345 HydrophobicContact CG2-CD1 4.27Å
346	I	89.1	Confident	85.8	Confident	87 Å²	87	83.6 Å²	83.6	45%	0.446	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-50.1	178.8	-56	-57.5	0	0	0	110.9	V333 Q335 Q344	V333-I346 HydrophobicContact CG1-CB 4.39Å; V333-I346 PolarHBondContact O-N 2.99Å; Q335-I346 HydrophobicContact CB-CD1 4.04Å; Q335-I346 HydrophobicContact CB-CG1 3.75Å; Q344-I346 PolarHBondContact O-N 3.31Å
347	K	91.7	Very high	85.2	Confident	110 Å²	110	82.9 Å²	82.9	48%	0.478	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	163.7	179.3	60.5	178.6	175.2	172.3	0	111.4	V333 L349	V333-K347 HydrophobicContact CB-CG 3.92Å; V333-K347 WeakPolarHBondContact CB-O 3.48Å; V333-K347 HydrophobicContact CG2-CG 3.75Å; V333-K347 PolarHBondContact N-O 3.19Å; K347-L349 HydrophobicContact CD-CD2 3.86Å; K347-L349 HydrophobicContact CG-CD2 4.36Å
348	T	93.5	Very high	84.4	Confident	53 Å²	53	86.4 Å²	86.4	33%	0.325	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.6	166.2	-65.8	0	0	0	0	108.5	K330 V331 E373	K330-T348 HydrophobicContact CB-CG2 4.26Å; K330-T348 HydrophobicContact CD-CG2 4.48Å; V331-T348 CarbonylContact O-C 3.56Å; V331-T348 WeakPolarHBondContact O-CA 3.45Å; T348-E373 WeakPolarHBondContact CG2-OE2 3.28Å; T348-E373 PolarHBondContact OG1-OE2 3.3Å
349	L	92.4	Very high	83.8	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.016	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.1	174.2	-57.3	175.1	0	0	0	110.5	L326 K330 V331 V333 K347 E353 F355	L326-L349 HydrophobicContact CD2-CB 4.43Å; K330-L349 WeakPolarHBondContact CA-O 3.46Å; V331-L349 HydrophobicContact CG2-CB 3.73Å; V331-L349 HydrophobicContact CG2-CD1 4.19Å; V331-L349 HydrophobicContact CG2-CG 4.34Å; V331-L349 PolarHBondContact N-O 3.03Å; V331-L349 VanDerWaalsContact N-O 3.11Å; V331-L349 PolarHBondContact O-N 3.19Å; V333-L349 HydrophobicContact CG2-CD1 3.87Å; V333-L349 HydrophobicContact CG2-CG 3.89Å; K347-L349 HydrophobicContact CD-CD2 3.86Å; K347-L349 HydrophobicContact CG-CD2 4.36Å; L349-E353 WeakPolarHBondContact CA-OE2 3.45Å; L349-E353 HydrophobicContact CB-CB 4.31Å; L349-E353 HydrophobicContact CD2-CB 4.27Å; L349-F355 HydrophobicContact CD1-CB 3.91Å; L349-F355 HydrophobicContact CD1-CD1 3.68Å; L349-F355 HydrophobicContact CD1-CG 4.15Å
350	Q	93.9	Very high	83.1	Confident	108 Å²	108	73.5 Å²	73.5	51%	0.505	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	170.8	-178.5	-55.4	-170.9	7.1	0	0	111.5	K330 G352 E353	K330-Q350 HydrophobicContact CG-CG 4.4Å; Q350-G352 PolarHBondContact O-N 2.91Å; Q350-E353 PolarHBondContact N-OE2 3.25Å; Q350-E353 VanDerWaalsContact O-CB 3.32Å; Q350-E353 WeakPolarHBondContact O-CB 3.24Å; Q350-E353 PolarHBondContact O-N 2.93Å
351	K	92.4	Very high	82.2	Confident	139 Å²	139	71.9 Å²	71.9	60%	0.604	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	130	177.4	177	178.5	179.3	-176.9	0	112.2	F280 L326 A327	F280-K351 HydrophobicContact CE2-CG 3.96Å; L326-K351 WeakPolarHBondContact O-CA 3.35Å; A327-K351 VanDerWaalsContact O-CD 3.31Å; A327-K351 WeakPolarHBondContact O-CD 3.27Å; A327-K351 VanDerWaalsContact O-CE 3.29Å; A327-K351 WeakPolarHBondContact O-CE 3.3Å; A327-K351 WeakPolarHBondContact O-CG 3.36Å
352	G	86.5	Confident	81.3	Confident	15 Å²	15	65.1 Å²	65.1	16%	0.155	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-11	-179.5	0	0	0	0	0	114	L326 Q350	L326-G352 PolarHBondContact O-N 2.7Å; Q350-G352 PolarHBondContact O-N 2.91Å
353	E	90.1	Very high	80.1	Confident	82 Å²	82	64.2 Å²	64.2	38%	0.383	32%	0.324	S	S	.	.			trans	-85.2	161.1	169.4	-60.1	-173.3	105.6	0	0	111.2	L326 L349 Q350	L326-E353 WeakPolarHBondContact CB-O 3.28Å; L326-E353 PolarHBondContact N-O 2.73Å; L349-E353 WeakPolarHBondContact CA-OE2 3.45Å; L349-E353 HydrophobicContact CB-CB 4.31Å; L349-E353 HydrophobicContact CD2-CB 4.27Å; Q350-E353 PolarHBondContact N-OE2 3.25Å; Q350-E353 VanDerWaalsContact O-CB 3.32Å; Q350-E353 WeakPolarHBondContact O-CB 3.24Å; Q350-E353 PolarHBondContact O-N 2.93Å
354	Y	89.2	Confident	78.9	Confident	62 Å²	62	66 Å²	66	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.5	-176.8	59.2	-94.9	0	0	0	110.7	V284 L286 F323 F324 E357	V284-Y354 HydrophobicContact CG1-CD1 3.67Å; V284-Y354 HydrophobicContact CG1-CE1 4.22Å; L286-Y354 HydrophobicContact CB-CD1 4.3Å; L286-Y354 HydrophobicContact CB-CE1 3.67Å; L286-Y354 HydrophobicContact CD2-CE2 4.28Å; F323-Y354 AromaticContact CE2-CD2 3.62Å; F323-Y354 HydrophobicContact CE2-CD2 3.62Å; F323-Y354 AromaticContact CE2-CG 3.89Å; F323-Y354 HydrophobicContact CE2-CG 3.89Å; F323-Y354 HydrophobicContact CZ-CD2 4.06Å; F323-Y354 AromaticContact CZ-CG 3.92Å; F323-Y354 HydrophobicContact CZ-CG 3.92Å; F324-Y354 CarbonylContact O-C 3.57Å; F324-Y354 VanDerWaalsContact O-CA 3.23Å; F324-Y354 WeakPolarHBondContact O-CA 3.2Å; F324-Y354 VanDerWaalsContact O-CB 3.29Å; F324-Y354 WeakPolarHBondContact O-CB 3.17Å; Y354-E357 HydrophobicContact CD2-CB 4.29Å; Y354-E357 HydrophobicContact CD2-CG 4.46Å; Y354-E357 HydrophobicContact CE2-CB 4.27Å; Y354-E357 HydrophobicContact CE2-CG 4.11Å
355	F	87.9	Confident	78	Confident	7 Å²	7	66.5 Å²	66.5	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163	177.3	53.8	-91.7	0	0	0	111.2	I313 I314 F324 L326 V331 L349 E357 I370	I313-F355 HydrophobicContact CD1-CZ 4.25Å; I313-F355 HydrophobicContact CG2-CE2 3.78Å; I313-F355 HydrophobicContact CG2-CZ 3.94Å; I314-F355 HydrophobicContact CD1-CD2 3.68Å; I314-F355 HydrophobicContact CD1-CE2 3.97Å; I314-F355 HydrophobicContact CG1-CE2 4.44Å; F324-F355 HydrophobicContact CB-CD1 4.41Å; F324-F355 HydrophobicContact CB-CD2 3.74Å; F324-F355 HydrophobicContact CB-CE1 4.02Å; F324-F355 HydrophobicContact CB-CE2 3.3Å; F324-F355 HydrophobicContact CB-CG 4.29Å; F324-F355 HydrophobicContact CB-CZ 3.45Å; F324-F355 VanDerWaalsContact CB-CZ 3.45Å; F324-F355 HydrophobicContact CD1-CE2 4.24Å; F324-F355 HydrophobicContact CD1-CZ 4.46Å; F324-F355 HydrophobicContact CD2-CD2 4Å; F324-F355 AromaticContact CD2-CE2 3.66Å; F324-F355 HydrophobicContact CD2-CE2 3.66Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.49Å; F324-F355 HydrophobicContact CG-CE2 3.49Å; F324-F355 VanDerWaalsContact CG-CE2 3.49Å; F324-F355 AromaticContact CG-CZ 3.96Å; F324-F355 HydrophobicContact CG-CZ 3.96Å; F324-F355 PolarHBondContact N-O 2.94Å; F324-F355 PolarHBondContact O-N 3.38Å; L326-F355 HydrophobicContact CB-CE1 4.5Å; V331-F355 HydrophobicContact CG2-CD1 4.5Å; V331-F355 HydrophobicContact CG2-CE1 4.11Å; L349-F355 HydrophobicContact CD1-CB 3.91Å; L349-F355 HydrophobicContact CD1-CD1 3.68Å; L349-F355 HydrophobicContact CD1-CG 4.15Å; F355-E357 VanDerWaalsContact C-N 3.28Å; F355-E357 WeakPolarHBondContact CA-OE2 3.36Å; F355-I370 HydrophobicContact CB-CD1 4.41Å; F355-I370 HydrophobicContact CD1-CG2 4.47Å; F355-I370 HydrophobicContact CD2-CB 4.4Å; F355-I370 HydrophobicContact CD2-CD1 4.39Å; F355-I370 HydrophobicContact CD2-CG1 3.86Å; F355-I370 HydrophobicContact CD2-CG2 4.12Å; F355-I370 HydrophobicContact CE1-CG2 4.2Å; F355-I370 HydrophobicContact CE2-CB 4.27Å; F355-I370 HydrophobicContact CE2-CG1 4.21Å; F355-I370 HydrophobicContact CE2-CG2 3.81Å; F355-I370 HydrophobicContact CG-CD1 4.39Å; F355-I370 HydrophobicContact CG-CG1 4.34Å; F355-I370 HydrophobicContact CG-CG2 4.44Å; F355-I370 HydrophobicContact CZ-CG2 3.85Å
356	G	79.3	Confident	77.6	Confident	14 Å²	14	62.1 Å²	62.1	14%	0.144	31%	0.314	C	S	.	.			trans	79.7	10.7	-178.4	0	0	0	0	0	113.8	K358 A359 R366	G356-K358 PolarHBondContact O-N 3.26Å; G356-A359 WeakPolarHBondContact O-CB 3.31Å; G356-A359 PolarHBondContact O-N 2.62Å; G356-R366 PolarHBondContact O-NH1 3.26Å
357	E	72.5	Confident	77.1	Confident	52 Å²	52	61.1 Å²	61.1	24%	0.243	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59	-33.5	177.7	71.1	-70	169.7	0	0	112.5	F323 Y354 F355 A359 L360 F394	F323-E357 HydrophobicContact CD2-CB 4Å; F323-E357 HydrophobicContact CE2-CB 3.9Å; Y354-E357 HydrophobicContact CD2-CB 4.29Å; Y354-E357 HydrophobicContact CD2-CG 4.46Å; Y354-E357 HydrophobicContact CE2-CB 4.27Å; Y354-E357 HydrophobicContact CE2-CG 4.11Å; F355-E357 VanDerWaalsContact C-N 3.28Å; F355-E357 WeakPolarHBondContact CA-OE2 3.36Å; E357-A359 PolarHBondContact O-N 2.82Å; E357-L360 VanDerWaalsContact O-CB 3.32Å; E357-L360 WeakPolarHBondContact O-CB 3.33Å; E357-L360 PolarHBondContact O-N 2.78Å; E357-F394 HydrophobicContact CB-CE2 3.98Å; E357-F394 HydrophobicContact CB-CZ 4.36Å; E357-F394 HydrophobicContact CG-CZ 4.41Å
358	K	66.1	Low	76.8	Confident	126 Å²	126	56.6 Å²	56.6	55%	0.548	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.5	-31.8	176.1	-67.4	-171.4	178.3	-176.4	0	113	G356 L360 I361 S362	G356-K358 PolarHBondContact O-N 3.26Å; K358-L360 PolarHBondContact O-N 3.22Å; K358-I361 WeakPolarHBondContact O-CB 3.31Å; K358-I361 PolarHBondContact O-N 3.46Å; K358-S362 PolarHBondContact O-N 2.97Å
359	A	62.2	Low	76.6	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.033	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-70.8	-13	175.9	0	0	0	0	0	113.3	G320 G356 E357 I361 R384	G320-A359 WeakPolarHBondContact O-CB 3.33Å; G356-A359 WeakPolarHBondContact O-CB 3.31Å; G356-A359 PolarHBondContact O-N 2.62Å; E357-A359 PolarHBondContact O-N 2.82Å; A359-I361 VanDerWaalsContact C-N 3.33Å; A359-R384 WeakPolarHBondContact O-CD 3.48Å
360	L	60.2	Low	76.7	Confident	6 Å²	6	55 Å²	55	3%	0.031	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-79.4	-18	167.8	-61.6	178.1	0	0	0	112.5	F323 E357 K358 R384 F387 F394	F323-L360 HydrophobicContact CB-CD1 3.57Å; F323-L360 HydrophobicContact CB-CD2 3.84Å; F323-L360 HydrophobicContact CB-CG 3.75Å; F323-L360 HydrophobicContact CD1-CD1 4.24Å; F323-L360 HydrophobicContact CD2-CD1 4.14Å; F323-L360 HydrophobicContact CG-CD1 3.74Å; F323-L360 HydrophobicContact CG-CG 4.4Å; E357-L360 VanDerWaalsContact O-CB 3.32Å; E357-L360 WeakPolarHBondContact O-CB 3.33Å; E357-L360 PolarHBondContact O-N 2.78Å; K358-L360 PolarHBondContact O-N 3.22Å; L360-R384 HydrophobicContact CD2-CB 3.84Å; L360-R384 HydrophobicContact CD2-CG 4.31Å; L360-F387 HydrophobicContact CD1-CD1 4.21Å; L360-F387 HydrophobicContact CD1-CD2 4.34Å; L360-F387 HydrophobicContact CD1-CE1 4.4Å; L360-F387 HydrophobicContact CD1-CG 4.2Å; L360-F387 HydrophobicContact CD2-CB 4.14Å; L360-F387 HydrophobicContact CD2-CG 4.32Å; L360-F394 HydrophobicContact CB-CB 4.21Å; L360-F394 HydrophobicContact CD1-CD2 4.28Å
361	I	57.1	Low	76.8	Confident	78 Å²	78	50.4 Å²	50.4	40%	0.4	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-44.5	-170.7	-54.4	172.2	0	0	0	111.1	K358 A359 F394	K358-I361 WeakPolarHBondContact O-CB 3.31Å; K358-I361 PolarHBondContact O-N 3.46Å; A359-I361 VanDerWaalsContact C-N 3.33Å; I361-F394 HydrophobicContact CD1-CD1 3.38Å; I361-F394 HydrophobicContact CD1-CE1 3.59Å; I361-F394 HydrophobicContact CD1-CG 4.1Å; I361-F394 HydrophobicContact CD1-CZ 4.45Å; I361-F394 HydrophobicContact CG1-CB 3.85Å; I361-F394 HydrophobicContact CG1-CD1 3.46Å; I361-F394 VanDerWaalsContact CG1-CD1 3.46Å; I361-F394 HydrophobicContact CG1-CE1 4.19Å; I361-F394 HydrophobicContact CG1-CG 3.75Å
362	S	57.2	Low	77	Confident	34 Å²	34	43.9 Å²	43.9	24%	0.238	24%	0.238	C	C	.	.	S	Bend	trans	-138.5	162.4	-173.1	46.2	0	0	0	0	111.5	K358 D364 R384	K358-S362 PolarHBondContact O-N 2.97Å; S362-D364 WeakPolarHBondContact CB-OD2 3.39Å; S362-D364 PolarHBondContact O-N 3.01Å; S362-D364 WeakPolarHBondContact OG-CB 3.3Å; S362-D364 PolarHBondContact OG-OD2 3.48Å; S362-R384 PolarHBondContact O-NH1 2.64Å
363	D	55.8	Low	77.4	Confident	129 Å²	129	46.5 Å²	46.5	69%	0.69	25%	0.246	S	C	*	.	S	Bend	trans	-74.5	35.8	167.8	-70.4	-38.4	0	0	0	111.7	R384	D363-R384 IonicContact OD1-CZ 3.89Å; D363-R384 IonicContact OD1-NH1 3.58Å; D363-R384 PolarHBondContact OD1-NH1 3.39Å; D363-R384 IonicContact OD1-NH2 2.67Å; D363-R384 PolarHBondContact OD1-NH2 2.73Å
364	D	61	Low	77.7	Confident	96 Å²	96	46.4 Å²	46.4	51%	0.513	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-78.5	138.3	-176.3	-73.5	-20.4	0	0	0	110.8	S362	S362-D364 WeakPolarHBondContact CB-OD2 3.39Å; S362-D364 PolarHBondContact O-N 3.01Å; S362-D364 WeakPolarHBondContact OG-CB 3.3Å; S362-D364 PolarHBondContact OG-OD2 3.48Å
365	V	70.7	Confident	77.8	Confident	85 Å²	85	48.3 Å²	48.3	52%	0.515	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-60.2	142.3	166.3	-68.1	0	0	0	0	110	E318 E319 S367	E318-V365 CarbonylContact O-C 3.58Å; E318-V365 WeakPolarHBondContact O-CA 3.37Å; E319-V365 HydrophobicContact CG-CG1 4.41Å; V365-S367 PolarHBondContact O-N 2.67Å
366	R	80.4	Confident	77.9	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.057	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59.2	121.9	-178.3	-65.7	-71.4	-157.3	-171.5	-3.9	109.7	I314 R315 E316 G317 E318 T322 G356 A368	I314-R366 HydrophobicContact CG2-CB 3.6Å; I314-R366 HydrophobicContact CG2-CG 3.53Å; R315-R366 VanDerWaalsContact O-CB 3.27Å; R315-R366 WeakPolarHBondContact O-CB 3.49Å; E316-R366 CarbonylContact C-O 3.58Å; E316-R366 WeakPolarHBondContact CA-O 3.35Å; G317-R366 PolarHBondContact N-O 3.29Å; E318-R366 HydrophobicContact CG-CB 4.24Å; E318-R366 HydrophobicContact CG-CG 3.71Å; E318-R366 VanDerWaalsContact O-CG 3.27Å; E318-R366 WeakPolarHBondContact O-CG 3.35Å; E318-R366 PolarHBondContact O-N 2.87Å; T322-R366 PolarHBondContact O-NH1 3.28Å; T322-R366 PolarHBondContact O-NH2 2.89Å; T322-R366 PolarHBondContact OG1-NH2 3.3Å; G356-R366 PolarHBondContact O-NH1 3.26Å; R366-A368 VanDerWaalsContact C-N 3.3Å; R366-A368 PolarHBondContact O-N 2.91Å
367	S	78.8	Confident	78.7	Confident	66 Å²	66	51.7 Å²	51.7	46%	0.462	28%	0.275	S	S	.	.	S	Bend	trans	-80.9	-7.3	-173.4	66	0	0	0	0	114.5	Q335 V365	Q335-S367 WeakPolarHBondContact CG-O 3.36Å; Q335-S367 PolarHBondContact NE2-O 3.32Å; V365-S367 PolarHBondContact O-N 2.67Å
368	A	85.4	Confident	79.7	Confident	14 Å²	14	49.5 Å²	49.5	12%	0.116	27%	0.266	C	S	.	.	S	Bend	trans	-155.8	156.6	-177.8	0	0	0	0	0	110.6	I314 V333 Q335 R366	I314-A368 WeakPolarHBondContact CG2-O 3.19Å; V333-A368 HydrophobicContact CG1-CB 3.83Å; Q335-A368 HydrophobicContact CB-CB 4.19Å; R366-A368 VanDerWaalsContact C-N 3.3Å; R366-A368 PolarHBondContact O-N 2.91Å
369	N	89.9	Confident	81	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.1	169.9	-53.9	-82.9	0	0	0	109.9	Y312 I314 E316 V333 T334 I371	Y312-N369 HydrophobicContact CD1-CB 4.1Å; Y312-N369 HydrophobicContact CE1-CB 3.93Å; I314-N369 CarbonylContact O-C 3.49Å; I314-N369 VanDerWaalsContact O-CA 3.27Å; I314-N369 WeakPolarHBondContact O-CA 3.47Å; E316-N369 WeakPolarHBondContact CB-ND2 3.23Å; E316-N369 PolarHBondContact N-OD1 3.39Å; E316-N369 PolarHBondContact OE2-ND2 2.91Å; V333-N369 WeakPolarHBondContact CA-O 3.19Å; T334-N369 PolarHBondContact N-O 3.41Å; T334-N369 WeakPolarHBondContact O-CB 3.35Å; T334-N369 PolarHBondContact O-N 3.39Å; T334-N369 PolarHBondContact O-ND2 2.59Å; T334-N369 WeakPolarHBondContact OG1-CB 3.34Å; N369-I371 HydrophobicContact CB-CD1 4.35Å; N369-I371 HydrophobicContact CB-CG1 4.28Å
370	I	94.2	Very high	82.4	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.046	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119	169.8	-51.6	-65.8	0	0	0	107.6	Y312 I313 I314 V331 K332 V333 F355	Y312-I370 CarbonylContact C-O 3.56Å; I313-I370 HydrophobicContact CB-CB 4.3Å; I313-I370 HydrophobicContact CB-CG2 4.23Å; I313-I370 HydrophobicContact CD1-CG2 4.2Å; I313-I370 PolarHBondContact N-O 3.3Å; I314-I370 HydrophobicContact CB-CB 4.01Å; I314-I370 HydrophobicContact CB-CG1 3.82Å; I314-I370 HydrophobicContact CD1-CG1 4.05Å; I314-I370 HydrophobicContact CG1-CG1 4.28Å; I314-I370 HydrophobicContact CG2-CG1 4.47Å; I314-I370 PolarHBondContact N-O 3.2Å; I314-I370 PolarHBondContact O-N 3.38Å; V331-I370 HydrophobicContact CB-CG2 3.85Å; V331-I370 HydrophobicContact CG1-CG2 4.45Å; V331-I370 HydrophobicContact CG2-CG2 3.66Å; K332-I370 WeakPolarHBondContact O-CA 3.42Å; V333-I370 HydrophobicContact CB-CD1 4.07Å; V333-I370 HydrophobicContact CG1-CD1 3.81Å; V333-I370 HydrophobicContact CG2-CD1 3.56Å; F355-I370 HydrophobicContact CB-CD1 4.41Å; F355-I370 HydrophobicContact CD1-CG2 4.47Å; F355-I370 HydrophobicContact CD2-CB 4.4Å; F355-I370 HydrophobicContact CD2-CD1 4.39Å; F355-I370 HydrophobicContact CD2-CG1 3.86Å; F355-I370 HydrophobicContact CD2-CG2 4.12Å; F355-I370 HydrophobicContact CE1-CG2 4.2Å; F355-I370 HydrophobicContact CE2-CB 4.27Å; F355-I370 HydrophobicContact CE2-CG1 4.21Å; F355-I370 HydrophobicContact CE2-CG2 3.81Å; F355-I370 HydrophobicContact CG-CD1 4.39Å; F355-I370 HydrophobicContact CG-CG1 4.34Å; F355-I370 HydrophobicContact CG-CG2 4.44Å; F355-I370 HydrophobicContact CZ-CG2 3.85Å
371	I	95.6	Very high	83.8	Confident	10 Å²	10	43.6 Å²	43.6	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.6	-171.2	-52.3	168.2	0	0	0	109.3	D311 Y312 V331 K332 N369 E373	D311-I371 CarbonylContact O-C 3.59Å; D311-I371 VanDerWaalsContact O-CA 3.31Å; D311-I371 WeakPolarHBondContact O-CA 3.39Å; Y312-I371 HydrophobicContact CD1-CD1 4.14Å; Y312-I371 HydrophobicContact CD1-CG1 3.74Å; Y312-I371 HydrophobicContact CD2-CG1 4.35Å; Y312-I371 HydrophobicContact CE1-CD1 3.53Å; Y312-I371 HydrophobicContact CE1-CG1 3.68Å; Y312-I371 HydrophobicContact CE2-CD1 4.14Å; Y312-I371 HydrophobicContact CE2-CG1 4.29Å; Y312-I371 HydrophobicContact CG-CG1 4.09Å; V331-I371 CarbonylContact C-O 3.41Å; V331-I371 VanDerWaalsContact CA-O 3.26Å; V331-I371 WeakPolarHBondContact CA-O 3.29Å; K332-I371 HydrophobicContact CG-CB 3.91Å; K332-I371 PolarHBondContact N-O 2.83Å; K332-I371 PolarHBondContact O-N 3.16Å; N369-I371 HydrophobicContact CB-CD1 4.35Å; N369-I371 HydrophobicContact CB-CG1 4.28Å; I371-E373 PolarHBondContact O-N 3.49Å
372	A	96.7	Very high	85.1	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.1	175.9	0	0	0	0	0	111.5	D308 G310 D311 V377	D308-A372 VanDerWaalsContact O-CB 3.23Å; D308-A372 WeakPolarHBondContact O-CB 3.37Å; G310-A372 PolarHBondContact N-O 3.2Å; D311-A372 PolarHBondContact O-N 2.89Å; A372-V377 HydrophobicContact CB-CB 4.16Å; A372-V377 HydrophobicContact CB-CG2 3.94Å
373	E	95.8	Very high	86.4	Confident	70 Å²	70	41.2 Å²	41.2	33%	0.327	23%	0.226	S	C	.	.	S	Bend	trans	-92.5	-15.7	177.9	-67.3	-155.8	89.7	0	0	113.2	K309 K330 K332 T348 I371	K309-E373 WeakPolarHBondContact CD-O 3.45Å; K309-E373 WeakPolarHBondContact CG-O 3.5Å; K330-E373 HydrophobicContact CB-CB 4.43Å; K330-E373 PolarHBondContact O-N 2.95Å; K332-E373 HydrophobicContact CB-CG 3.83Å; K332-E373 HydrophobicContact CD-CG 4.13Å; K332-E373 HydrophobicContact CG-CG 3.89Å; T348-E373 WeakPolarHBondContact CG2-OE2 3.28Å; T348-E373 PolarHBondContact OG1-OE2 3.3Å; I371-E373 PolarHBondContact O-N 3.49Å
374	E	94.8	Very high	87.6	Confident	80 Å²	80	38 Å²	38	37%	0.374	20%	0.204	S	C	.	.	S	Bend	trans	-132.1	158.9	-173.7	-61.9	174.6	-174.8	0	0	109.4	D308 K309 G329 K330 V377	D308-E374 CarbonylContact C-O 3.57Å; K309-E374 WeakPolarHBondContact CA-O 3.18Å; K309-E374 PolarHBondContact N-O 3.12Å; G329-E374 WeakPolarHBondContact CA-OE2 3.35Å; K330-E374 WeakPolarHBondContact CD-OE1 3.35Å; E374-V377 HydrophobicContact CB-CG2 4.21Å; E374-V377 WeakPolarHBondContact O-CG2 3.38Å
375	N	92.2	Very high	88.5	Confident	102 Å²	102	39.5 Å²	39.5	55%	0.545	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	157.1	169.7	-67	-16.6	0	0	0	110.2	K309 V377	K309-N375 WeakPolarHBondContact CB-OD1 3.3Å; K309-N375 PolarHBondContact N-OD1 3.38Å; N375-V377 PolarHBondContact O-N 3.06Å
376	D	90.8	Very high	89	Confident	92 Å²	92	36.6 Å²	36.6	49%	0.492	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.5	-179.4	-52.1	-58.7	0	0	0	114	Y307 D308 K328 A378	Y307-D376 PolarHBondContact O-N 3.45Å; D308-D376 PolarHBondContact OD1-N 3.48Å; K328-D376 PolarHBondContact NZ-O 3.3Å; D376-A378 PolarHBondContact O-N 3.45Å
377	V	95.2	Very high	88.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.1	167.3	165.4	0	0	0	0	107.8	Y306 Y307 I313 L326 K328 V331 A372 E374 N375	Y306-V377 CarbonylContact C-O 3.58Å; Y306-V377 VanDerWaalsContact CA-O 3.28Å; Y306-V377 WeakPolarHBondContact CA-O 3.43Å; Y307-V377 PolarHBondContact N-O 3.09Å; Y307-V377 PolarHBondContact O-N 2.95Å; I313-V377 HydrophobicContact CD1-CG1 4.21Å; L326-V377 HydrophobicContact CD1-CG1 3.68Å; K328-V377 WeakPolarHBondContact O-CA 3.43Å; V331-V377 HydrophobicContact CG1-CG1 3.79Å; A372-V377 HydrophobicContact CB-CB 4.16Å; A372-V377 HydrophobicContact CB-CG2 3.94Å; E374-V377 HydrophobicContact CB-CG2 4.21Å; E374-V377 WeakPolarHBondContact O-CG2 3.38Å; N375-V377 PolarHBondContact O-N 3.06Å
378	A	93.9	Very high	88.9	Confident	7 Å²	7	34.8 Å²	34.8	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.2	-178	0	0	0	0	0	111	V304 E305 Y306 A327 K328 D376	V304-A378 HydrophobicContact CG1-CB 4.4Å; E305-A378 WeakPolarHBondContact O-CA 3.38Å; Y306-A378 HydrophobicContact CD1-CB 3.95Å; Y306-A378 HydrophobicContact CE1-CB 3.87Å; A327-A378 PolarHBondContact N-O 3.49Å; K328-A378 HydrophobicContact CB-CB 3.89Å; K328-A378 PolarHBondContact N-O 3Å; K328-A378 PolarHBondContact O-N 3.33Å; D376-A378 PolarHBondContact O-N 3.45Å
379	C	93.4	Very high	88.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.3	176.6	-63.6	0	0	0	0	110.6	V304 E305 Y307 F324 I325 V381	V304-C379 WeakPolarHBondContact CA-O 3.31Å; E305-C379 PolarHBondContact N-O 2.84Å; E305-C379 PolarHBondContact O-N 3.01Å; Y307-C379 HydrophobicContact CE2-CB 4.41Å; F324-C379 HydrophobicContact CD1-CB 3.93Å; I325-C379 CarbonylContact O-C 3.4Å; I325-C379 WeakPolarHBondContact O-CA 3.36Å; C379-V381 HydrophobicContact CB-CG2 4.32Å
380	L	91.2	Very high	87.6	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.7	164.8	-47	177.8	0	0	0	107.8	Y277 F280 L281 L302 E303 V304 F324 I325 A327	Y277-L380 HydrophobicContact CD1-CD1 4.08Å; Y277-L380 HydrophobicContact CD1-CD2 4.42Å; Y277-L380 HydrophobicContact CE1-CD1 4.21Å; Y277-L380 HydrophobicContact CE1-CD2 3.73Å; F280-L380 HydrophobicContact CD1-CD1 3.67Å; F280-L380 HydrophobicContact CE1-CD1 3.61Å; F280-L380 HydrophobicContact CE1-CG 4.46Å; L281-L380 HydrophobicContact CD2-CD1 4.31Å; L302-L380 HydrophobicContact CD1-CB 4.35Å; L302-L380 HydrophobicContact CD1-CD1 4Å; L302-L380 HydrophobicContact CD2-CB 3.98Å; E303-L380 CarbonylContact O-C 3.58Å; E303-L380 VanDerWaalsContact O-CA 3.25Å; E303-L380 WeakPolarHBondContact O-CA 3.29Å; V304-L380 HydrophobicContact CG1-CD2 4.48Å; V304-L380 HydrophobicContact CG2-CD2 3.75Å; F324-L380 CarbonylContact C-O 3.55Å; F324-L380 WeakPolarHBondContact CA-O 3.44Å; I325-L380 HydrophobicContact CB-CB 4.24Å; I325-L380 PolarHBondContact N-O 2.99Å; I325-L380 PolarHBondContact O-N 3.48Å; A327-L380 HydrophobicContact CB-CD1 4.47Å; A327-L380 HydrophobicContact CB-CD2 4.15Å; A327-L380 HydrophobicContact CB-CG 4.01Å
381	V	89.6	Confident	86.5	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.9	-170.1	-166.9	0	0	0	0	109.9	E303 E305 T322 F323 F324 C379	E303-V381 PolarHBondContact N-O 3.24Å; E303-V381 VanDerWaalsContact N-O 3.09Å; E303-V381 PolarHBondContact O-N 3.44Å; E305-V381 HydrophobicContact CB-CG2 3.97Å; E305-V381 HydrophobicContact CG-CG2 3.74Å; T322-V381 HydrophobicContact CG2-CG1 4.27Å; F323-V381 WeakPolarHBondContact O-CA 3.37Å; F324-V381 HydrophobicContact CD1-CB 4.34Å; F324-V381 HydrophobicContact CD1-CG1 4.08Å; F324-V381 HydrophobicContact CD1-CG2 3.57Å; F324-V381 HydrophobicContact CE1-CB 4.34Å; F324-V381 HydrophobicContact CE1-CG1 3.76Å; F324-V381 HydrophobicContact CE1-CG2 3.63Å; F324-V381 HydrophobicContact CZ-CG1 4.22Å; C379-V381 HydrophobicContact CB-CG2 4.32Å
382	I	85.4	Confident	85.4	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.8	168.9	-171	163.4	0	0	0	109.2	C301 L302 F323 T386 F387	C301-I382 HydrophobicContact CB-CD1 3.87Å; C301-I382 HydrophobicContact CB-CG1 4.48Å; L302-I382 HydrophobicContact CD2-CB 4.38Å; F323-I382 HydrophobicContact CB-CG2 3.89Å; F323-I382 HydrophobicContact CD1-CG2 3.61Å; F323-I382 HydrophobicContact CG-CG2 4.23Å; F323-I382 PolarHBondContact N-O 3.46Å; F323-I382 PolarHBondContact O-N 3.03Å; I382-T386 HydrophobicContact CD1-CG2 4.39Å; I382-T386 HydrophobicContact CG1-CG2 4.25Å; I382-F387 HydrophobicContact CD1-CB 4.24Å; I382-F387 HydrophobicContact CD1-CD2 4.04Å; I382-F387 HydrophobicContact CG1-CB 4.21Å; I382-F387 HydrophobicContact CG2-CD2 4.27Å
383	D	84.3	Confident	84.2	Confident	56 Å²	56	38.2 Å²	38.2	30%	0.299	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	158.1	175.9	74.5	87.7	0	0	0	111.6	S321 T322 E385 T386 F387	S321-D383 CarbonylContact O-C 3.58Å; T322-D383 HydrophobicContact CG2-CB 4.13Å; D383-E385 VanDerWaalsContact C-N 3.34Å; D383-E385 PolarHBondContact O-N 3.43Å; D383-E385 WeakPolarHBondContact OD1-CA 3.11Å; D383-E385 WeakPolarHBondContact OD1-CB 3.39Å; D383-E385 PolarHBondContact OD1-N 3.06Å; D383-T386 VanDerWaalsContact CG-OG1 3.28Å; D383-T386 PolarHBondContact O-N 2.85Å; D383-T386 PolarHBondContact OD1-N 3.46Å; D383-T386 PolarHBondContact OD1-OG1 3.44Å; D383-T386 WeakPolarHBondContact OD2-CB 3.39Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å; D383-F387 VanDerWaalsContact O-CB 3.3Å; D383-F387 WeakPolarHBondContact O-CB 3.21Å; D383-F387 PolarHBondContact O-N 2.73Å
384	R	80.3	Confident	82.9	Confident	61 Å²	61	35.7 Å²	35.7	23%	0.23	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-175.9	178	177.7	64.4	178.3	8.4	112.2	S321 A359 L360 S362 D363 N388	S321-R384 WeakPolarHBondContact O-CA 3.47Å; S321-R384 WeakPolarHBondContact O-CB 3.34Å; S321-R384 PolarHBondContact O-N 2.84Å; A359-R384 WeakPolarHBondContact O-CD 3.48Å; L360-R384 HydrophobicContact CD2-CB 3.84Å; L360-R384 HydrophobicContact CD2-CG 4.31Å; S362-R384 PolarHBondContact O-NH1 2.64Å; D363-R384 IonicContact OD1-CZ 3.89Å; D363-R384 IonicContact OD1-NH1 3.58Å; D363-R384 PolarHBondContact OD1-NH1 3.39Å; D363-R384 IonicContact OD1-NH2 2.67Å; D363-R384 PolarHBondContact OD1-NH2 2.73Å; R384-N388 WeakPolarHBondContact CG-ND2 3.47Å; R384-N388 WeakPolarHBondContact O-CB 3.43Å; R384-N388 PolarHBondContact O-N 3.39Å; R384-N388 PolarHBondContact O-ND2 2.81Å
385	E	80.2	Confident	81.6	Confident	129 Å²	129	37 Å²	37	60%	0.603	19%	0.187	S	C	*	.	H	α-helix	trans	-65.3	-50.5	-179.3	-177.8	173.1	-176	0	0	109.5	D383 F387 N388 Q389	D383-E385 VanDerWaalsContact C-N 3.34Å; D383-E385 PolarHBondContact O-N 3.43Å; D383-E385 WeakPolarHBondContact OD1-CA 3.11Å; D383-E385 WeakPolarHBondContact OD1-CB 3.39Å; D383-E385 PolarHBondContact OD1-N 3.06Å; E385-F387 PolarHBondContact O-N 2.9Å; E385-N388 PolarHBondContact O-N 3.32Å; E385-Q389 HydrophobicContact CG-CG 4.33Å; E385-Q389 VanDerWaalsContact O-CB 3.25Å; E385-Q389 WeakPolarHBondContact O-CB 3.42Å; E385-Q389 WeakPolarHBondContact O-CG 3.14Å; E385-Q389 PolarHBondContact O-N 2.84Å; E385-Q389 PolarHBondContact OE1-NE2 2.99Å
386	T	79.9	Confident	80.5	Confident	24 Å²	24	36.8 Å²	36.8	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-45.9	175.6	-61.4	0	0	0	0	111.5	C301 I382 D383 Q389 T390	C301-T386 HydrophobicContact CB-CG2 3.68Å; C301-T386 VanDerWaalsContact SG-CG2 3.52Å; I382-T386 HydrophobicContact CD1-CG2 4.39Å; I382-T386 HydrophobicContact CG1-CG2 4.25Å; D383-T386 VanDerWaalsContact CG-OG1 3.28Å; D383-T386 PolarHBondContact O-N 2.85Å; D383-T386 PolarHBondContact OD1-N 3.46Å; D383-T386 PolarHBondContact OD1-OG1 3.44Å; D383-T386 WeakPolarHBondContact OD2-CB 3.39Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å; T386-Q389 PolarHBondContact O-N 2.87Å; T386-T390 WeakPolarHBondContact O-CB 3.33Å; T386-T390 PolarHBondContact O-N 2.97Å; T386-T390 PolarHBondContact O-OG1 3.47Å
387	F	78.8	Confident	79.4	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-51.5	177.7	-173.1	-88.7	0	0	0	111.6	L360 I382 D383 E385 Q389 T390 V391 G392 L397	L360-F387 HydrophobicContact CD1-CD1 4.21Å; L360-F387 HydrophobicContact CD1-CD2 4.34Å; L360-F387 HydrophobicContact CD1-CE1 4.4Å; L360-F387 HydrophobicContact CD1-CG 4.2Å; L360-F387 HydrophobicContact CD2-CB 4.14Å; L360-F387 HydrophobicContact CD2-CG 4.32Å; I382-F387 HydrophobicContact CD1-CB 4.24Å; I382-F387 HydrophobicContact CD1-CD2 4.04Å; I382-F387 HydrophobicContact CG1-CB 4.21Å; I382-F387 HydrophobicContact CG2-CD2 4.27Å; D383-F387 VanDerWaalsContact O-CB 3.3Å; D383-F387 WeakPolarHBondContact O-CB 3.21Å; D383-F387 PolarHBondContact O-N 2.73Å; E385-F387 PolarHBondContact O-N 2.9Å; F387-Q389 VanDerWaalsContact C-N 3.34Å; F387-Q389 PolarHBondContact O-N 3.08Å; F387-T390 PolarHBondContact O-N 3.06Å; F387-V391 HydrophobicContact CD2-CG2 4.27Å; F387-V391 HydrophobicContact CE1-CB 4.32Å; F387-V391 HydrophobicContact CE2-CB 4.21Å; F387-V391 HydrophobicContact CE2-CG1 4.41Å; F387-V391 HydrophobicContact CE2-CG2 4.09Å; F387-V391 HydrophobicContact CZ-CB 4.06Å; F387-V391 HydrophobicContact CZ-CG1 4.05Å; F387-V391 HydrophobicContact CZ-CG2 4.44Å; F387-V391 PolarHBondContact O-N 3.3Å; F387-G392 WeakPolarHBondContact CD1-O 3.28Å; F387-G392 VanDerWaalsContact CE1-O 3.23Å; F387-G392 WeakPolarHBondContact CE1-O 3.16Å; F387-G392 PolarHBondContact O-N 2.78Å; F387-L397 HydrophobicContact CZ-CD2 4.04Å
388	N	79.6	Confident	78	Confident	39 Å²	39	37.1 Å²	37.1	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-36.3	-178.3	-75.3	-17.7	0	0	0	112.5	R384 E385 T390 G392 T393 K699	R384-N388 WeakPolarHBondContact CG-ND2 3.47Å; R384-N388 WeakPolarHBondContact O-CB 3.43Å; R384-N388 PolarHBondContact O-N 3.39Å; R384-N388 PolarHBondContact O-ND2 2.81Å; E385-N388 PolarHBondContact O-N 3.32Å; N388-T390 VanDerWaalsContact C-N 3.32Å; N388-G392 WeakPolarHBondContact CA-O 3.29Å; N388-G392 PolarHBondContact OD1-O 3.4Å; N388-T393 WeakPolarHBondContact OD1-CA 3.27Å; N388-K699 WeakPolarHBondContact O-CD 3.34Å
389	Q	76.6	Confident	76.7	Confident	62 Å²	62	43.1 Å²	43.1	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-72.1	-28.6	176.7	-74.1	-178.8	14.2	0	0	112.1	E385 T386 F387 L698 K699	E385-Q389 HydrophobicContact CG-CG 4.33Å; E385-Q389 VanDerWaalsContact O-CB 3.25Å; E385-Q389 WeakPolarHBondContact O-CB 3.42Å; E385-Q389 WeakPolarHBondContact O-CG 3.14Å; E385-Q389 PolarHBondContact O-N 2.84Å; E385-Q389 PolarHBondContact OE1-NE2 2.99Å; T386-Q389 PolarHBondContact O-N 2.87Å; F387-Q389 VanDerWaalsContact C-N 3.34Å; F387-Q389 PolarHBondContact O-N 3.08Å; Q389-L698 HydrophobicContact CB-CD2 4.35Å; Q389-L698 CarbonylContact O-C 3.29Å; Q389-L698 WeakPolarHBondContact O-CA 3.32Å; Q389-L698 WeakPolarHBondContact O-CB 3.37Å; Q389-K699 WeakPolarHBondContact O-CB 3.4Å; Q389-K699 PolarHBondContact O-N 3.04Å
390	T	71.4	Confident	75.4	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-98.6	-53.3	-170.6	-58	0	0	0	0	112.5	K297 T386 F387 N388	K297-T390 HydrophobicContact CB-CG2 3.42Å; K297-T390 VanDerWaalsContact CB-CG2 3.42Å; K297-T390 HydrophobicContact CD-CG2 3.95Å; K297-T390 HydrophobicContact CG-CG2 4.19Å; T386-T390 WeakPolarHBondContact O-CB 3.33Å; T386-T390 PolarHBondContact O-N 2.97Å; T386-T390 PolarHBondContact O-OG1 3.47Å; F387-T390 PolarHBondContact O-N 3.06Å; N388-T390 VanDerWaalsContact C-N 3.32Å
391	V	71.6	Confident	74	Confident	11 Å²	11	48.1 Å²	48.1	7%	0.067	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-42.8	-171.1	-173.5	0	0	0	0	110.7	K294 I298 F387 L397	K294-V391 HydrophobicContact CD-CG1 4.33Å; K294-V391 PolarHBondContact NZ-O 2.91Å; I298-V391 HydrophobicContact CD1-CG1 4.49Å; I298-V391 HydrophobicContact CD1-CG2 3.87Å; I298-V391 HydrophobicContact CG1-CG2 3.4Å; I298-V391 VanDerWaalsContact CG1-CG2 3.4Å; F387-V391 HydrophobicContact CD2-CG2 4.27Å; F387-V391 HydrophobicContact CE1-CB 4.32Å; F387-V391 HydrophobicContact CE2-CB 4.21Å; F387-V391 HydrophobicContact CE2-CG1 4.41Å; F387-V391 HydrophobicContact CE2-CG2 4.09Å; F387-V391 HydrophobicContact CZ-CB 4.06Å; F387-V391 HydrophobicContact CZ-CG1 4.05Å; F387-V391 HydrophobicContact CZ-CG2 4.44Å; F387-V391 PolarHBondContact O-N 3.3Å; V391-L397 HydrophobicContact CG1-CD1 3.67Å
392	G	71.8	Confident	72.6	Confident	3 Å²	3	54.5 Å²	54.5	3%	0.031	26%	0.259	C	S	.	.			trans	126.1	179.5	-166.7	0	0	0	0	0	110	F387 N388 E396	F387-G392 WeakPolarHBondContact CD1-O 3.28Å; F387-G392 VanDerWaalsContact CE1-O 3.23Å; F387-G392 WeakPolarHBondContact CE1-O 3.16Å; F387-G392 PolarHBondContact O-N 2.78Å; N388-G392 WeakPolarHBondContact CA-O 3.29Å; N388-G392 PolarHBondContact OD1-O 3.4Å; G392-E396 VanDerWaalsContact CA-OE2 3.23Å; G392-E396 WeakPolarHBondContact CA-OE2 3.44Å
393	T	72.6	Confident	71.4	Confident	43 Å²	43	55.4 Å²	55.4	26%	0.264	27%	0.27	S	S	.	.			trans	-72.4	157.7	176.6	68.6	0	0	0	0	111.4	N388 E395 E396 L397	N388-T393 WeakPolarHBondContact OD1-CA 3.27Å; T393-E395 PolarHBondContact O-N 2.97Å; T393-E396 PolarHBondContact N-OE2 2.91Å; T393-E396 WeakPolarHBondContact O-CB 3.41Å; T393-E396 PolarHBondContact O-N 2.9Å; T393-E396 VanDerWaalsContact O-N 3.11Å; T393-E396 VanDerWaalsContact OG1-CG 3.24Å; T393-E396 WeakPolarHBondContact OG1-CG 3.2Å; T393-E396 PolarHBondContact OG1-N 2.75Å; T393-L397 PolarHBondContact O-N 2.72Å
394	F	67.4	Low	70	Confident	16 Å²	16	56.9 Å²	56.9	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-37.4	174.7	-176.9	-88	0	0	0	112.1	L286 E357 L360 I361 L397 Q398	L286-F394 HydrophobicContact CD1-CE2 3.98Å; L286-F394 HydrophobicContact CD1-CZ 4.2Å; L286-F394 HydrophobicContact CD2-CE2 3.89Å; E357-F394 HydrophobicContact CB-CE2 3.98Å; E357-F394 HydrophobicContact CB-CZ 4.36Å; E357-F394 HydrophobicContact CG-CZ 4.41Å; L360-F394 HydrophobicContact CB-CB 4.21Å; L360-F394 HydrophobicContact CD1-CD2 4.28Å; I361-F394 HydrophobicContact CD1-CD1 3.38Å; I361-F394 HydrophobicContact CD1-CE1 3.59Å; I361-F394 HydrophobicContact CD1-CG 4.1Å; I361-F394 HydrophobicContact CD1-CZ 4.45Å; I361-F394 HydrophobicContact CG1-CB 3.85Å; I361-F394 HydrophobicContact CG1-CD1 3.46Å; I361-F394 VanDerWaalsContact CG1-CD1 3.46Å; I361-F394 HydrophobicContact CG1-CE1 4.19Å; I361-F394 HydrophobicContact CG1-CG 3.75Å; F394-L397 VanDerWaalsContact O-CB 3.27Å; F394-L397 WeakPolarHBondContact O-CB 3.45Å; F394-L397 PolarHBondContact O-N 3.17Å; F394-Q398 PolarHBondContact O-N 2.81Å
395	E	67.1	Low	68.5	Low	107 Å²	107	60.5 Å²	60.5	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-41.1	173.4	-70.4	-173.1	-170	0	0	112.9	T393 L397 Q398 K399	T393-E395 PolarHBondContact O-N 2.97Å; E395-L397 PolarHBondContact O-N 2.92Å; E395-Q398 PolarHBondContact O-N 3.2Å; E395-K399 WeakPolarHBondContact O-CB 3.5Å; E395-K399 WeakPolarHBondContact O-CG 3.43Å; E395-K399 PolarHBondContact O-N 3.15Å; E395-K399 IonicContact OE2-NZ 3.77Å
396	E	68.8	Low	67.1	Low	98 Å²	98	57.7 Å²	57.7	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-38.9	174.6	-74.2	167.1	177.6	0	0	110.2	G392 T393 Y400	G392-E396 VanDerWaalsContact CA-OE2 3.23Å; G392-E396 WeakPolarHBondContact CA-OE2 3.44Å; T393-E396 PolarHBondContact N-OE2 2.91Å; T393-E396 WeakPolarHBondContact O-CB 3.41Å; T393-E396 PolarHBondContact O-N 2.9Å; T393-E396 VanDerWaalsContact O-N 3.11Å; T393-E396 VanDerWaalsContact OG1-CG 3.24Å; T393-E396 WeakPolarHBondContact OG1-CG 3.2Å; T393-E396 PolarHBondContact OG1-N 2.75Å; E396-Y400 WeakPolarHBondContact O-CB 3.43Å; E396-Y400 PolarHBondContact O-N 2.84Å
397	L	69	Low	65.8	Low	10 Å²	10	60.6 Å²	60.6	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-44.9	175.3	-157.9	79.8	0	0	0	112.3	L286 L287 L290 F387 V391 T393 F394 E395 Y400 L401	L286-L397 HydrophobicContact CD1-CD2 4.27Å; L286-L397 HydrophobicContact CG-CD2 4.25Å; L287-L397 HydrophobicContact CD2-CD2 4.5Å; L290-L397 HydrophobicContact CD1-CD1 4.26Å; L290-L397 HydrophobicContact CD2-CD1 3.35Å; L290-L397 HydrophobicContact CD2-CG 4.04Å; L290-L397 HydrophobicContact CG-CD1 4.45Å; F387-L397 HydrophobicContact CZ-CD2 4.04Å; V391-L397 HydrophobicContact CG1-CD1 3.67Å; T393-L397 PolarHBondContact O-N 2.72Å; F394-L397 VanDerWaalsContact O-CB 3.27Å; F394-L397 WeakPolarHBondContact O-CB 3.45Å; F394-L397 PolarHBondContact O-N 3.17Å; E395-L397 PolarHBondContact O-N 2.92Å; L397-Y400 WeakPolarHBondContact O-CB 3.37Å; L397-Y400 PolarHBondContact O-N 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.14Å
398	Q	65	Low	64.3	Low	89 Å²	89	63.9 Å²	63.9	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-45.4	-179.8	-171.3	177.9	-14.6	0	0	111.3	F394 E395 Y400 L401 E402	F394-Q398 PolarHBondContact O-N 2.81Å; E395-Q398 PolarHBondContact O-N 3.2Å; Q398-Y400 PolarHBondContact O-N 3.31Å; Q398-L401 PolarHBondContact O-N 3.34Å; Q398-L401 VanDerWaalsContact O-N 3.09Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.32Å; Q398-E402 PolarHBondContact NE2-OE1 2.87Å; Q398-E402 VanDerWaalsContact NE2-OE1 3.09Å; Q398-E402 WeakPolarHBondContact O-CG 3.41Å; Q398-E402 PolarHBondContact O-N 3.02Å
399	K	67.6	Low	62.7	Low	133 Å²	133	68.1 Å²	68.1	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-35.8	173.1	-74.3	173	-176.9	160	0	112.1	E395 E402 G403	E395-K399 WeakPolarHBondContact O-CB 3.5Å; E395-K399 WeakPolarHBondContact O-CG 3.43Å; E395-K399 PolarHBondContact O-N 3.15Å; E395-K399 IonicContact OE2-NZ 3.77Å; K399-E402 PolarHBondContact O-N 3.41Å; K399-G403 PolarHBondContact O-N 3.29Å
400	Y	65.8	Low	61.4	Low	48 Å²	48	72.9 Å²	72.9	19%	0.188	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-51.6	171.8	172	-74.7	0	0	0	110.2	L290 P291 E396 L397 Q398 E402 G403 Y404	L290-Y400 HydrophobicContact CD2-CD1 4.43Å; L290-Y400 HydrophobicContact CD2-CE1 4.36Å; P291-Y400 VanDerWaalsContact CD-CZ 3.46Å; P291-Y400 WeakPolarHBondContact CD-OH 3.27Å; P291-Y400 HydrophobicContact CG-CE2 3.89Å; P291-Y400 WeakPolarHBondContact CG-OH 3.38Å; E396-Y400 WeakPolarHBondContact O-CB 3.43Å; E396-Y400 PolarHBondContact O-N 2.84Å; L397-Y400 WeakPolarHBondContact O-CB 3.37Å; L397-Y400 PolarHBondContact O-N 3.4Å; Q398-Y400 PolarHBondContact O-N 3.31Å; Y400-E402 PolarHBondContact O-N 2.9Å; Y400-G403 PolarHBondContact O-N 2.97Å; Y400-Y404 AromaticContact CD2-CD2 3.43Å; Y400-Y404 HydrophobicContact CD2-CD2 3.43Å; Y400-Y404 VanDerWaalsContact CD2-CD2 3.43Å; Y400-Y404 AromaticContact CD2-CE2 3.76Å; Y400-Y404 HydrophobicContact CD2-CE2 3.76Å; Y400-Y404 HydrophobicContact CD2-CG 4.08Å; Y400-Y404 HydrophobicContact CE1-CD1 4.19Å; Y400-Y404 HydrophobicContact CE1-CD2 4.24Å; Y400-Y404 AromaticContact CE1-CG 3.98Å; Y400-Y404 HydrophobicContact CE1-CG 3.98Å; Y400-Y404 HydrophobicContact CE2-CD1 4.14Å; Y400-Y404 AromaticContact CE2-CD2 3.01Å; Y400-Y404 HydrophobicContact CE2-CD2 3.01Å; Y400-Y404 HydrophobicContact CE2-CE1 4.09Å; Y400-Y404 AromaticContact CE2-CE2 2.93Å; Y400-Y404 HydrophobicContact CE2-CE2 2.93Å; Y400-Y404 AromaticContact CE2-CG 3.62Å; Y400-Y404 HydrophobicContact CE2-CG 3.62Å; Y400-Y404 AromaticContact CE2-CZ 3.46Å; Y400-Y404 VanDerWaalsContact CE2-CZ 3.46Å; Y400-Y404 HydrophobicContact CG-CD2 4.2Å; Y400-Y404 HydrophobicContact CG-CG 4.47Å; Y400-Y404 AromaticContact CZ-CD1 3.59Å; Y400-Y404 AromaticContact CZ-CD2 3.38Å; Y400-Y404 AromaticContact CZ-CE1 3.61Å; Y400-Y404 AromaticContact CZ-CE2 3.4Å; Y400-Y404 VanDerWaalsContact CZ-CE2 3.4Å; Y400-Y404 AromaticContact CZ-CG 3.44Å; Y400-Y404 VanDerWaalsContact CZ-CG 3.44Å; Y400-Y404 AromaticContact CZ-CZ 3.45Å; Y400-Y404 VanDerWaalsContact CZ-CZ 3.45Å; Y400-Y404 WeakPolarHBondContact O-CB 3.34Å; Y400-Y404 PolarHBondContact O-N 3.16Å; Y400-Y404 WeakPolarHBondContact OH-CD1 3.49Å; Y400-Y404 WeakPolarHBondContact OH-CE1 3.39Å; Y400-Y404 WeakPolarHBondContact OH-CE2 3.46Å; Y400-Y404 PolarHBondContact OH-OH 3.39Å
401	L	61.8	Low	60.2	Low	59 Å²	59	76.1 Å²	76.1	31%	0.309	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-30	179.6	-68.9	166.8	0	0	0	112.7	L286 N289 L397 Q398	L286-L401 HydrophobicContact CD1-CD1 4.1Å; L286-L401 WeakPolarHBondContact O-CD1 3.39Å; N289-L401 HydrophobicContact CB-CD2 3.88Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.14Å; Q398-L401 PolarHBondContact O-N 3.34Å; Q398-L401 VanDerWaalsContact O-N 3.09Å
402	E	60.5	Low	58.8	Low	143 Å²	143	79.6 Å²	79.6	67%	0.668	41%	0.405	S	S	*	.	H	α-helix	trans	-86.2	-26.3	178.6	-69.4	170.1	-170.2	0	0	114.1	Q398 K399 Y400	Q398-E402 WeakPolarHBondContact CG-OE1 3.32Å; Q398-E402 PolarHBondContact NE2-OE1 2.87Å; Q398-E402 VanDerWaalsContact NE2-OE1 3.09Å; Q398-E402 WeakPolarHBondContact O-CG 3.41Å; Q398-E402 PolarHBondContact O-N 3.02Å; K399-E402 PolarHBondContact O-N 3.41Å; Y400-E402 PolarHBondContact O-N 2.9Å
403	G	58.5	Low	57.7	Low	25 Å²	25	86.2 Å²	86.2	26%	0.258	44%	0.435	S	S	.	.	H	α-helix	trans	-128.5	1.3	-167	0	0	0	0	0	117.8	K399 Y400 V405 A406	K399-G403 PolarHBondContact O-N 3.29Å; Y400-G403 PolarHBondContact O-N 2.97Å; G403-V405 PolarHBondContact O-N 3.1Å; G403-A406 PolarHBondContact O-N 2.9Å
404	Y	55.4	Low	56.3	Low	88 Å²	88	90.3 Å²	90.3	35%	0.345	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-32.7	-162.9	-175.5	-119.9	0	0	0	116.5	Y400 A406 L408	Y400-Y404 AromaticContact CD2-CD2 3.43Å; Y400-Y404 HydrophobicContact CD2-CD2 3.43Å; Y400-Y404 VanDerWaalsContact CD2-CD2 3.43Å; Y400-Y404 AromaticContact CD2-CE2 3.76Å; Y400-Y404 HydrophobicContact CD2-CE2 3.76Å; Y400-Y404 HydrophobicContact CD2-CG 4.08Å; Y400-Y404 HydrophobicContact CE1-CD1 4.19Å; Y400-Y404 HydrophobicContact CE1-CD2 4.24Å; Y400-Y404 AromaticContact CE1-CG 3.98Å; Y400-Y404 HydrophobicContact CE1-CG 3.98Å; Y400-Y404 HydrophobicContact CE2-CD1 4.14Å; Y400-Y404 AromaticContact CE2-CD2 3.01Å; Y400-Y404 HydrophobicContact CE2-CD2 3.01Å; Y400-Y404 HydrophobicContact CE2-CE1 4.09Å; Y400-Y404 AromaticContact CE2-CE2 2.93Å; Y400-Y404 HydrophobicContact CE2-CE2 2.93Å; Y400-Y404 AromaticContact CE2-CG 3.62Å; Y400-Y404 HydrophobicContact CE2-CG 3.62Å; Y400-Y404 AromaticContact CE2-CZ 3.46Å; Y400-Y404 VanDerWaalsContact CE2-CZ 3.46Å; Y400-Y404 HydrophobicContact CG-CD2 4.2Å; Y400-Y404 HydrophobicContact CG-CG 4.47Å; Y400-Y404 AromaticContact CZ-CD1 3.59Å; Y400-Y404 AromaticContact CZ-CD2 3.38Å; Y400-Y404 AromaticContact CZ-CE1 3.61Å; Y400-Y404 AromaticContact CZ-CE2 3.4Å; Y400-Y404 VanDerWaalsContact CZ-CE2 3.4Å; Y400-Y404 AromaticContact CZ-CG 3.44Å; Y400-Y404 VanDerWaalsContact CZ-CG 3.44Å; Y400-Y404 AromaticContact CZ-CZ 3.45Å; Y400-Y404 VanDerWaalsContact CZ-CZ 3.45Å; Y400-Y404 WeakPolarHBondContact O-CB 3.34Å; Y400-Y404 PolarHBondContact O-N 3.16Å; Y400-Y404 WeakPolarHBondContact OH-CD1 3.49Å; Y400-Y404 WeakPolarHBondContact OH-CE1 3.39Å; Y400-Y404 WeakPolarHBondContact OH-CE2 3.46Å; Y400-Y404 PolarHBondContact OH-OH 3.39Å; Y404-A406 VanDerWaalsContact C-N 3.33Å; Y404-A406 PolarHBondContact O-N 3.44Å; Y404-L408 HydrophobicContact CD1-CD1 4.01Å; Y404-L408 HydrophobicContact CD2-CD1 3.75Å; Y404-L408 HydrophobicContact CD2-CG 3.96Å; Y404-L408 HydrophobicContact CE1-CD1 3.48Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.48Å; Y404-L408 HydrophobicContact CE2-CD1 3.18Å; Y404-L408 HydrophobicContact CE2-CD2 3.81Å; Y404-L408 HydrophobicContact CE2-CG 3.53Å; Y404-L408 HydrophobicContact CG-CD1 4.15Å; Y404-L408 WeakPolarHBondContact OH-CD1 3.25Å
405	V	49.9	Very low	55.2	Low	136 Å²	136	98.1 Å²	98.1	82%	0.824	48%	0.479	S	S	*	.	H	α-helix	trans	-74.1	-24.1	-176.3	-178.4	0	0	0	0	112.5	G403	G403-V405 PolarHBondContact O-N 3.1Å
406	A	50.5	Low	54.1	Low	71 Å²	71	99.7 Å²	99.7	59%	0.587	49%	0.485	S	S	*	.	H	α-helix	trans	-92	-22.3	-174.3	0	0	0	0	0	114.5	G403 Y404	G403-A406 PolarHBondContact O-N 2.9Å; Y404-A406 VanDerWaalsContact C-N 3.33Å; Y404-A406 PolarHBondContact O-N 3.44Å
407	N	53.3	Low	52.8	Low	85 Å²	85	98.7 Å²	98.7	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-99.8	-27.9	-171	-72.4	-29.1	0	0	0	114.5	N409 R410 D411	N407-N409 PolarHBondContact O-N 3.37Å; N407-R410 PolarHBondContact O-N 2.87Å; N407-R410 VanDerWaalsContact O-N 3.12Å; N407-D411 WeakPolarHBondContact O-CB 3.44Å; N407-D411 PolarHBondContact O-N 3.41Å
408	L	46.7	Very low	51.7	Low	73 Å²	73	107.8 Å²	107.8	38%	0.382	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-43.9	-177.9	-84.6	169.8	0	0	0	113.6	Y404 R410 D412	Y404-L408 HydrophobicContact CD1-CD1 4.01Å; Y404-L408 HydrophobicContact CD2-CD1 3.75Å; Y404-L408 HydrophobicContact CD2-CG 3.96Å; Y404-L408 HydrophobicContact CE1-CD1 3.48Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.48Å; Y404-L408 HydrophobicContact CE2-CD1 3.18Å; Y404-L408 HydrophobicContact CE2-CD2 3.81Å; Y404-L408 HydrophobicContact CE2-CG 3.53Å; Y404-L408 HydrophobicContact CG-CD1 4.15Å; Y404-L408 WeakPolarHBondContact OH-CD1 3.25Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 3.05Å; L408-D412 PolarHBondContact O-N 3.37Å
409	N	46	Very low	50.8	Low	127 Å²	127	109.8 Å²	109.8	68%	0.679	54%	0.537	S	S	*	.	H	α-helix	trans	-68.6	-30	177.3	-73.5	-16.4	0	0	0	112.4	N407 E413	N407-N409 PolarHBondContact O-N 3.37Å; N409-E413 WeakPolarHBondContact O-CG 3.22Å
410	R	48	Very low	49.8	Very low	162 Å²	162	105.9 Å²	105.9	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-84.4	-31.2	-177.5	-89.3	179.5	155.8	-167	-2.9	113.7	N407 L408 K414	N407-R410 PolarHBondContact O-N 2.87Å; N407-R410 VanDerWaalsContact O-N 3.12Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 3.05Å; R410-K414 WeakPolarHBondContact O-CB 3.44Å; R410-K414 VanDerWaalsContact O-CG 3.32Å; R410-K414 WeakPolarHBondContact O-CG 3.49Å; R410-K414 PolarHBondContact O-N 2.95Å; R410-K414 VanDerWaalsContact O-N 3.12Å
411	D	46.8	Very low	48.6	Very low	72 Å²	72	111.6 Å²	111.6	39%	0.385	56%	0.557	S	S	.	*	H	α-helix	trans	-87.7	-28.1	-177.7	-76.1	-22.3	0	0	0	113.1	N407 K414 R415	N407-D411 WeakPolarHBondContact O-CB 3.44Å; N407-D411 PolarHBondContact O-N 3.41Å; D411-K414 PolarHBondContact O-N 3.47Å; D411-R415 VanDerWaalsContact O-CB 3.25Å; D411-R415 WeakPolarHBondContact O-CB 3.48Å; D411-R415 WeakPolarHBondContact O-CG 3.5Å; D411-R415 PolarHBondContact O-N 2.91Å
412	D	43.2	Very low	47.9	Very low	84 Å²	84	112.3 Å²	112.3	45%	0.449	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-46.1	166.5	-82.9	-12.9	0	0	0	110.1	L408 K414 R415 H416	L408-D412 PolarHBondContact O-N 3.37Å; D412-K414 PolarHBondContact O-N 3.33Å; D412-R415 PolarHBondContact O-N 2.83Å; D412-H416 WeakPolarHBondContact O-CB 3.23Å; D412-H416 PolarHBondContact O-CD2 3.31Å; D412-H416 PolarHBondContact O-N 3.45Å
413	E	47.3	Very low	47.2	Very low	142 Å²	142	108.2 Å²	108.2	66%	0.664	55%	0.549	S	S	*	.	H	α-helix	trans	-59.3	-41.5	173.7	-75.3	179.9	169.4	0	0	112.8	N409 A417	N409-E413 WeakPolarHBondContact O-CG 3.22Å; E413-A417 VanDerWaalsContact O-CB 3.24Å; E413-A417 WeakPolarHBondContact O-CB 3.4Å; E413-A417 PolarHBondContact O-N 3.25Å
414	K	43.7	Very low	46.4	Very low	129 Å²	129	114.6 Å²	114.6	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-75.7	-33.1	179.1	-77.7	174.9	-179.5	174.3	0	114.1	R410 D411 D412 A417 K418	R410-K414 WeakPolarHBondContact O-CB 3.44Å; R410-K414 VanDerWaalsContact O-CG 3.32Å; R410-K414 WeakPolarHBondContact O-CG 3.49Å; R410-K414 PolarHBondContact O-N 2.95Å; R410-K414 VanDerWaalsContact O-N 3.12Å; D411-K414 PolarHBondContact O-N 3.47Å; D412-K414 PolarHBondContact O-N 3.33Å; K414-A417 PolarHBondContact O-N 3.08Å; K414-K418 PolarHBondContact O-N 3.48Å
415	R	44.3	Very low	46.1	Very low	180 Å²	180	117.8 Å²	117.8	68%	0.679	58%	0.581	S	S	*	*	H	α-helix	trans	-70.5	-35.4	172.9	-83.6	178.8	-173.3	160.8	4.7	111.7	D411 D412	D411-R415 VanDerWaalsContact O-CB 3.25Å; D411-R415 WeakPolarHBondContact O-CB 3.48Å; D411-R415 WeakPolarHBondContact O-CG 3.5Å; D411-R415 PolarHBondContact O-N 2.91Å; D412-R415 PolarHBondContact O-N 2.83Å
416	H	43.5	Very low	46.2	Very low	139 Å²	139	113.3 Å²	113.3	64%	0.644	55%	0.552	S	S	*	*	H	α-helix	trans	-70.5	-40	171.7	-75.3	-65.4	0	0	0	111.6	D412 K418 S420	D412-H416 WeakPolarHBondContact O-CB 3.23Å; D412-H416 PolarHBondContact O-CD2 3.31Å; D412-H416 PolarHBondContact O-N 3.45Å; H416-K418 PolarHBondContact O-N 2.91Å; H416-S420 WeakPolarHBondContact O-CB 3.31Å
417	A	42.1	Very low	46.5	Very low	77 Å²	77	113.1 Å²	113.1	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-68	-34.4	-177.3	0	0	0	0	0	115.2	E413 K414	E413-A417 VanDerWaalsContact O-CB 3.24Å; E413-A417 WeakPolarHBondContact O-CB 3.4Å; E413-A417 PolarHBondContact O-N 3.25Å; K414-A417 PolarHBondContact O-N 3.08Å
418	K	45.2	Very low	46.7	Very low	201 Å²	201	114.4 Å²	114.4	87%	0.874	55%	0.549	S	S	*	.	H	α-helix	trans	-89.4	-13.5	-175.3	-84.4	-178.3	176.1	179.3	0	115.8	K414 H416	K414-K418 PolarHBondContact O-N 3.48Å; H416-K418 PolarHBondContact O-N 2.91Å
419	R	45.8	Very low	47.3	Very low	132 Å²	132	113.4 Å²	113.4	50%	0.498	55%	0.55	S	S	.	*	S	Bend	trans	-98.5	0.8	-177.7	-119.2	173.7	155.3	-174	-5.8	114.1
420	S	46.7	Very low	48.1	Very low	51 Å²	51	108.5 Å²	108.5	36%	0.357	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	15.4	-147.7	-173.2	0	0	0	0	117.4	H416 W424	H416-S420 WeakPolarHBondContact O-CB 3.31Å; S420-W424 WeakPolarHBondContact O-CB 3.41Å
421	M	41.5	Very low	49	Very low	168 Å²	168	102.4 Å²	102.4	83%	0.828	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-29.8	175.2	-74.8	-156.3	-68	0	0	115.2
422	S	47.3	Very low	50.5	Low	74 Å²	74	103.2 Å²	103.2	52%	0.517	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-49.6	176.7	50.7	0	0	0	0	112.3	W424 K425 L426	S422-W424 VanDerWaalsContact C-N 3.29Å; S422-W424 PolarHBondContact O-N 3.25Å; S422-K425 PolarHBondContact O-N 3.48Å; S422-L426 PolarHBondContact O-N 3.36Å
423	N	45.5	Very low	52.3	Low	56 Å²	56	104.1 Å²	104.1	30%	0.299	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-33.1	177	-86.9	-2.1	0	0	0	113.2	K425 S427	N423-K425 VanDerWaalsContact C-N 3.35Å; N423-K425 PolarHBondContact O-N 2.78Å; N423-S427 WeakPolarHBondContact O-CB 3.11Å; N423-S427 PolarHBondContact O-N 2.88Å
424	W	42.5	Very low	53.9	Low	159 Å²	159	98 Å²	98	60%	0.602	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-39.5	175.9	174.5	-94.8	0	0	0	112.1	S420 S422 K428	S420-W424 WeakPolarHBondContact O-CB 3.41Å; S422-W424 VanDerWaalsContact C-N 3.29Å; S422-W424 PolarHBondContact O-N 3.25Å; W424-K428 WeakPolarHBondContact O-CB 3.21Å; W424-K428 PolarHBondContact O-N 2.96Å
425	K	47.5	Very low	55.8	Low	155 Å²	155	95.7 Å²	95.7	67%	0.674	48%	0.476	S	S	*	.	H	α-helix	trans	-69.1	-44.1	-178.7	-72.3	-176.8	-179.3	-178.2	0	112.2	S422 N423 K428 A429	S422-K425 PolarHBondContact O-N 3.48Å; N423-K425 VanDerWaalsContact C-N 3.35Å; N423-K425 PolarHBondContact O-N 2.78Å; K425-K428 PolarHBondContact O-N 3.24Å; K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 2.93Å
426	L	53.8	Low	57.8	Low	42 Å²	42	93 Å²	93	22%	0.22	47%	0.471	C	S	.	.	H	α-helix	trans	-73	-42.5	177.9	-174.9	69.4	0	0	0	112.1	S422 K428 A429 L430 K720 R722	S422-L426 PolarHBondContact O-N 3.36Å; L426-K428 VanDerWaalsContact C-N 3.26Å; L426-K428 PolarHBondContact O-N 3.02Å; L426-A429 PolarHBondContact O-N 3.18Å; L426-L430 HydrophobicContact CD1-CD1 4.25Å; L426-L430 HydrophobicContact CD1-CG 4.35Å; L426-L430 HydrophobicContact CD2-CD1 4.28Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.36Å; L426-L430 WeakPolarHBondContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CG 3.41Å; L426-L430 PolarHBondContact O-N 2.74Å; L426-K720 WeakPolarHBondContact CD2-O 3.49Å; L426-R722 HydrophobicContact CD2-CG 4.32Å
427	S	55.5	Low	60	Low	67 Å²	67	87.6 Å²	87.6	47%	0.469	45%	0.447	S	S	.	.	H	α-helix	trans	-57.1	-43	172.4	178.3	0	0	0	0	110.7	N423 S431	N423-S427 WeakPolarHBondContact O-CB 3.11Å; N423-S427 PolarHBondContact O-N 2.88Å; S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 2.96Å; S427-S431 PolarHBondContact O-OG 3.35Å
428	K	57.9	Low	62.1	Low	113 Å²	113	87.1 Å²	87.1	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-41.6	175.3	-170	173.7	-175.7	178.9	0	112.8	W424 K425 L426 S431 L432	W424-K428 WeakPolarHBondContact O-CB 3.21Å; W424-K428 PolarHBondContact O-N 2.96Å; K425-K428 PolarHBondContact O-N 3.24Å; L426-K428 VanDerWaalsContact C-N 3.26Å; L426-K428 PolarHBondContact O-N 3.02Å; K428-S431 PolarHBondContact O-N 3.04Å; K428-L432 HydrophobicContact CG-CD1 4.26Å; K428-L432 WeakPolarHBondContact O-CB 3.32Å; K428-L432 VanDerWaalsContact O-CG 3.23Å; K428-L432 WeakPolarHBondContact O-CG 3.34Å; K428-L432 PolarHBondContact O-N 3.14Å
429	A	60	Low	64.2	Low	51 Å²	51	82.5 Å²	82.5	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-66.2	-48.2	177.7	0	0	0	0	0	112.3	K425 L426 S431 L432 E433	K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 2.93Å; L426-A429 PolarHBondContact O-N 3.18Å; A429-S431 VanDerWaalsContact C-N 3.27Å; A429-S431 PolarHBondContact O-N 2.61Å; A429-L432 PolarHBondContact O-N 2.65Å; A429-L432 VanDerWaalsContact O-N 3.15Å; A429-E433 PolarHBondContact O-N 2.98Å; A429-E433 VanDerWaalsContact O-N 3.07Å
430	L	62.5	Low	66.3	Low	24 Å²	24	79 Å²	79	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-60.3	-38.2	173.7	-76.1	163.8	0	0	0	111.6	L426 M434 P511	L426-L430 HydrophobicContact CD1-CD1 4.25Å; L426-L430 HydrophobicContact CD1-CG 4.35Å; L426-L430 HydrophobicContact CD2-CD1 4.28Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.36Å; L426-L430 WeakPolarHBondContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CG 3.41Å; L426-L430 PolarHBondContact O-N 2.74Å; L430-M434 WeakPolarHBondContact O-CB 3.33Å; L430-M434 PolarHBondContact O-N 3.5Å; L430-P511 HydrophobicContact CD1-CB 3.76Å; L430-P511 HydrophobicContact CD1-CG 4.07Å
431	S	67.6	Low	68.3	Low	34 Å²	34	76.6 Å²	76.6	24%	0.238	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-40.5	175	-62.4	0	0	0	0	111.5	S427 K428 A429 M434 I435	S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 2.96Å; S427-S431 PolarHBondContact O-OG 3.35Å; K428-S431 PolarHBondContact O-N 3.04Å; A429-S431 VanDerWaalsContact C-N 3.27Å; A429-S431 PolarHBondContact O-N 2.61Å; S431-M434 PolarHBondContact O-N 3.36Å; S431-I435 VanDerWaalsContact O-CB 3.28Å; S431-I435 WeakPolarHBondContact O-CB 3.04Å; S431-I435 VanDerWaalsContact O-CD1 3.28Å; S431-I435 WeakPolarHBondContact O-CD1 3.27Å; S431-I435 WeakPolarHBondContact O-CG1 3.3Å; S431-I435 PolarHBondContact O-N 3.42Å
432	L	78.3	Confident	70.5	Confident	89 Å²	89	71.5 Å²	71.5	47%	0.466	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-49.1	-179.5	-77	167.9	0	0	0	112.6	K428 A429 M434 I435 Q436	K428-L432 HydrophobicContact CG-CD1 4.26Å; K428-L432 WeakPolarHBondContact O-CB 3.32Å; K428-L432 VanDerWaalsContact O-CG 3.23Å; K428-L432 WeakPolarHBondContact O-CG 3.34Å; K428-L432 PolarHBondContact O-N 3.14Å; A429-L432 PolarHBondContact O-N 2.65Å; A429-L432 VanDerWaalsContact O-N 3.15Å; L432-M434 VanDerWaalsContact C-N 3.3Å; L432-M434 PolarHBondContact O-N 3.39Å; L432-I435 PolarHBondContact O-N 2.97Å; L432-Q436 WeakPolarHBondContact O-CB 3.38Å; L432-Q436 VanDerWaalsContact O-CG 3.28Å; L432-Q436 WeakPolarHBondContact O-CG 3.24Å; L432-Q436 PolarHBondContact O-N 2.82Å
433	E	80.2	Confident	72.4	Confident	104 Å²	104	77.6 Å²	77.6	49%	0.486	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-43.1	175.3	-176.8	-172.3	-166.2	0	0	110.8	A429 I435 Q436 L437	A429-E433 PolarHBondContact O-N 2.98Å; A429-E433 VanDerWaalsContact O-N 3.07Å; E433-I435 PolarHBondContact O-N 3.19Å; E433-Q436 PolarHBondContact O-N 3.16Å; E433-L437 HydrophobicContact CG-CD1 4.16Å; E433-L437 WeakPolarHBondContact O-CB 3.42Å; E433-L437 WeakPolarHBondContact O-CG 3.48Å; E433-L437 PolarHBondContact O-N 2.92Å
434	M	81.2	Confident	74.4	Confident	13 Å²	13	75.7 Å²	75.7	6%	0.064	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-43.3	176.3	-179.2	173.8	175.3	0	0	112	L430 S431 L432 L437 K438 K515 Y517	L430-M434 WeakPolarHBondContact O-CB 3.33Å; L430-M434 PolarHBondContact O-N 3.5Å; S431-M434 PolarHBondContact O-N 3.36Å; L432-M434 VanDerWaalsContact C-N 3.3Å; L432-M434 PolarHBondContact O-N 3.39Å; M434-L437 PolarHBondContact O-N 3.36Å; M434-K438 HydrophobicContact CE-CD 4.34Å; M434-K438 VanDerWaalsContact CE-CE 3.43Å; M434-K438 HydrophobicContact CG-CD 4.39Å; M434-K438 HydrophobicContact CG-CG 4.48Å; M434-K438 VanDerWaalsContact O-CB 3.27Å; M434-K438 WeakPolarHBondContact O-CB 3.29Å; M434-K438 VanDerWaalsContact O-CG 3.3Å; M434-K438 WeakPolarHBondContact O-CG 3.25Å; M434-K438 PolarHBondContact O-N 3.27Å; M434-K515 HydrophobicContact CB-CD 4.39Å; M434-K515 HydrophobicContact CG-CD 4.25Å; M434-K515 HydrophobicContact SD-CD 4Å; M434-K515 HydrophobicContact SD-CG 4.29Å; M434-Y517 HydrophobicContact CG-CE1 4.36Å
435	I	82.4	Confident	76.4	Confident	81 Å²	81	70.5 Å²	70.5	42%	0.415	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-47.3	175.4	-72.9	161.3	0	0	0	109.8	S431 L432 E433 L437 K438 E439	S431-I435 VanDerWaalsContact O-CB 3.28Å; S431-I435 WeakPolarHBondContact O-CB 3.04Å; S431-I435 VanDerWaalsContact O-CD1 3.28Å; S431-I435 WeakPolarHBondContact O-CD1 3.27Å; S431-I435 WeakPolarHBondContact O-CG1 3.3Å; S431-I435 PolarHBondContact O-N 3.42Å; L432-I435 PolarHBondContact O-N 2.97Å; E433-I435 PolarHBondContact O-N 3.19Å; I435-L437 PolarHBondContact O-N 2.98Å; I435-K438 PolarHBondContact O-N 2.9Å; I435-E439 HydrophobicContact CG2-CG 4.22Å; I435-E439 WeakPolarHBondContact CG2-OE1 3.32Å; I435-E439 WeakPolarHBondContact O-CB 3.37Å; I435-E439 WeakPolarHBondContact O-CG 3.48Å; I435-E439 PolarHBondContact O-N 3.49Å
436	Q	87.6	Confident	77.7	Confident	123 Å²	123	68 Å²	68	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-59.6	-45.4	178.8	-73.8	172.2	-5.1	0	0	112.3	L432 E433 K440	L432-Q436 WeakPolarHBondContact O-CB 3.38Å; L432-Q436 VanDerWaalsContact O-CG 3.28Å; L432-Q436 WeakPolarHBondContact O-CG 3.24Å; L432-Q436 PolarHBondContact O-N 2.82Å; E433-Q436 PolarHBondContact O-N 3.16Å; Q436-K440 VanDerWaalsContact O-CB 3.26Å; Q436-K440 WeakPolarHBondContact O-CB 3.42Å; Q436-K440 PolarHBondContact O-N 2.81Å
437	L	89.1	Confident	78.9	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.131	39%	0.385	C	S	.	.	H	α-helix	trans	-68.4	-40.5	177.2	-69.4	175.3	0	0	0	111.5	E433 M434 I435 K440 V441 V477 F479 Y517	E433-L437 HydrophobicContact CG-CD1 4.16Å; E433-L437 WeakPolarHBondContact O-CB 3.42Å; E433-L437 WeakPolarHBondContact O-CG 3.48Å; E433-L437 PolarHBondContact O-N 2.92Å; M434-L437 PolarHBondContact O-N 3.36Å; I435-L437 PolarHBondContact O-N 2.98Å; L437-K440 WeakPolarHBondContact O-CB 3.28Å; L437-K440 PolarHBondContact O-N 2.89Å; L437-V441 WeakPolarHBondContact O-CG1 3.47Å; L437-V441 WeakPolarHBondContact O-CG2 3.23Å; L437-V441 PolarHBondContact O-N 2.83Å; L437-V477 HydrophobicContact CD2-CG1 3.78Å; L437-F479 HydrophobicContact CD2-CE1 4.46Å; L437-F479 HydrophobicContact CD2-CZ 4.12Å; L437-Y517 HydrophobicContact CB-CD1 3.86Å; L437-Y517 HydrophobicContact CB-CE1 3.6Å; L437-Y517 HydrophobicContact CD1-CE1 3.88Å; L437-Y517 WeakPolarHBondContact CD1-OH 3.47Å; L437-Y517 HydrophobicContact CG-CE1 4.41Å
438	K	86.8	Confident	80.3	Confident	68 Å²	68	69.4 Å²	69.4	30%	0.296	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-47.9	173.8	-80.4	-167.2	170.7	-171.3	0	111.8	M434 I435 K440 V441 A442 L516 Y517	M434-K438 HydrophobicContact CE-CD 4.34Å; M434-K438 VanDerWaalsContact CE-CE 3.43Å; M434-K438 HydrophobicContact CG-CD 4.39Å; M434-K438 HydrophobicContact CG-CG 4.48Å; M434-K438 VanDerWaalsContact O-CB 3.27Å; M434-K438 WeakPolarHBondContact O-CB 3.29Å; M434-K438 VanDerWaalsContact O-CG 3.3Å; M434-K438 WeakPolarHBondContact O-CG 3.25Å; M434-K438 PolarHBondContact O-N 3.27Å; I435-K438 PolarHBondContact O-N 2.9Å; K438-K440 VanDerWaalsContact C-N 3.33Å; K438-K440 PolarHBondContact O-N 2.86Å; K438-V441 VanDerWaalsContact O-CG2 3.31Å; K438-V441 WeakPolarHBondContact O-CG2 3.42Å; K438-V441 PolarHBondContact O-N 2.79Å; K438-A442 VanDerWaalsContact O-CB 3.23Å; K438-A442 WeakPolarHBondContact O-CB 3.47Å; K438-A442 PolarHBondContact O-N 2.7Å; K438-L516 WeakPolarHBondContact CE-O 3.44Å; K438-Y517 HydrophobicContact CG-CD1 3.92Å
439	E	88.3	Confident	81.4	Confident	104 Å²	104	64.4 Å²	64.4	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-40.3	176.1	-75.5	179.4	-179.1	0	0	111.9	I435 A442 R443	I435-E439 HydrophobicContact CG2-CG 4.22Å; I435-E439 WeakPolarHBondContact CG2-OE1 3.32Å; I435-E439 WeakPolarHBondContact O-CB 3.37Å; I435-E439 WeakPolarHBondContact O-CG 3.48Å; I435-E439 PolarHBondContact O-N 3.49Å; E439-A442 PolarHBondContact O-N 3.15Å; E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 2.72Å
440	K	89.7	Confident	82.8	Confident	58 Å²	58	65.1 Å²	65.1	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-53.7	175.9	178.7	-176.6	-69.7	-88.9	0	110.7	Q436 L437 K438 A442 R443 E475	Q436-K440 VanDerWaalsContact O-CB 3.26Å; Q436-K440 WeakPolarHBondContact O-CB 3.42Å; Q436-K440 PolarHBondContact O-N 2.81Å; L437-K440 WeakPolarHBondContact O-CB 3.28Å; L437-K440 PolarHBondContact O-N 2.89Å; K438-K440 VanDerWaalsContact C-N 3.33Å; K438-K440 PolarHBondContact O-N 2.86Å; K440-A442 VanDerWaalsContact C-N 3.25Å; K440-A442 PolarHBondContact O-N 3.06Å; K440-R443 WeakPolarHBondContact O-CB 3.32Å; K440-R443 PolarHBondContact O-N 3.08Å; K440-E475 WeakPolarHBondContact CE-OE2 3.46Å; K440-E475 IonicContact NZ-OE1 3.85Å; K440-E475 PolarHBondContact NZ-OE1 3.45Å; K440-E475 IonicContact NZ-OE2 2.78Å; K440-E475 PolarHBondContact NZ-OE2 3.02Å
441	V	88.9	Confident	84.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-70	-25.3	-178.7	-57.2	0	0	0	0	111.8	L437 K438 R443 F444 F479 R518 L529	L437-V441 WeakPolarHBondContact O-CG1 3.47Å; L437-V441 WeakPolarHBondContact O-CG2 3.23Å; L437-V441 PolarHBondContact O-N 2.83Å; K438-V441 VanDerWaalsContact O-CG2 3.31Å; K438-V441 WeakPolarHBondContact O-CG2 3.42Å; K438-V441 PolarHBondContact O-N 2.79Å; V441-R443 PolarHBondContact O-N 3.31Å; V441-F444 HydrophobicContact CB-CD2 4.11Å; V441-F444 HydrophobicContact CB-CE2 3.91Å; V441-F444 HydrophobicContact CB-CZ 4.43Å; V441-F444 HydrophobicContact CG1-CD2 4.47Å; V441-F444 HydrophobicContact CG1-CE2 3.78Å; V441-F444 HydrophobicContact CG1-CZ 4.11Å; V441-F444 WeakPolarHBondContact O-CB 3.26Å; V441-F444 WeakPolarHBondContact O-CG 3.18Å; V441-F444 PolarHBondContact O-N 2.88Å; V441-F479 HydrophobicContact CG1-CE1 4.27Å; V441-F479 HydrophobicContact CG1-CE2 3.94Å; V441-F479 HydrophobicContact CG1-CZ 3.62Å; V441-R518 HydrophobicContact CB-CB 4.46Å; V441-R518 HydrophobicContact CG2-CB 3.72Å; V441-R518 WeakPolarHBondContact O-CD 3.38Å; V441-R518 PolarHBondContact O-NH1 3.2Å; V441-L529 HydrophobicContact CB-CD2 4.08Å; V441-L529 HydrophobicContact CG1-CD2 3.63Å
442	A	87.6	Confident	85.2	Confident	61 Å²	61	71.7 Å²	71.7	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-27.4	174.4	0	0	0	0	0	112.9	K438 E439 K440 F444 R518	K438-A442 VanDerWaalsContact O-CB 3.23Å; K438-A442 WeakPolarHBondContact O-CB 3.47Å; K438-A442 PolarHBondContact O-N 2.7Å; E439-A442 PolarHBondContact O-N 3.15Å; K440-A442 VanDerWaalsContact C-N 3.25Å; K440-A442 PolarHBondContact O-N 3.06Å; A442-F444 PolarHBondContact O-N 2.91Å; A442-R518 PolarHBondContact O-NH1 3.09Å
443	R	87.8	Confident	85.9	Confident	202 Å²	202	68.1 Å²	68.1	76%	0.762	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.9	175.3	-65.1	173.7	-165.4	171	5.3	113.5	E439 K440 V441 S445	E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 2.72Å; K440-R443 WeakPolarHBondContact O-CB 3.32Å; K440-R443 PolarHBondContact O-N 3.08Å; V441-R443 PolarHBondContact O-N 3.31Å; R443-S445 PolarHBondContact O-N 2.86Å
444	F	88.3	Confident	86.6	Confident	16 Å²	16	68 Å²	68	7%	0.07	36%	0.355	C	S	.	.	S	Bend	trans	-64.6	134.7	175.5	-58.8	-15.2	0	0	0	110	V441 A442 S446 P449 N452 L453 V472 R518 F520	V441-F444 HydrophobicContact CB-CD2 4.11Å; V441-F444 HydrophobicContact CB-CE2 3.91Å; V441-F444 HydrophobicContact CB-CZ 4.43Å; V441-F444 HydrophobicContact CG1-CD2 4.47Å; V441-F444 HydrophobicContact CG1-CE2 3.78Å; V441-F444 HydrophobicContact CG1-CZ 4.11Å; V441-F444 WeakPolarHBondContact O-CB 3.26Å; V441-F444 WeakPolarHBondContact O-CG 3.18Å; V441-F444 PolarHBondContact O-N 2.88Å; A442-F444 PolarHBondContact O-N 2.91Å; F444-S446 PolarHBondContact O-N 3.17Å; F444-P449 HydrophobicContact CB-CB 4.44Å; F444-N452 HydrophobicContact CD1-CB 3.85Å; F444-N452 HydrophobicContact CE1-CB 3.84Å; F444-N452 HydrophobicContact CG-CB 4.23Å; F444-N452 HydrophobicContact CZ-CB 4.2Å; F444-L453 HydrophobicContact CE2-CD2 4.04Å; F444-L453 HydrophobicContact CE2-CG 4.34Å; F444-L453 HydrophobicContact CZ-CD2 4.45Å; F444-V472 HydrophobicContact CZ-CG1 4.46Å; F444-V472 HydrophobicContact CZ-CG2 4.15Å; F444-R518 PolarHBondContact O-NH1 3.41Å; F444-F520 HydrophobicContact CD2-CZ 4.32Å
445	S	83	Confident	87.2	Confident	50 Å²	50	72.5 Å²	72.5	35%	0.35	38%	0.378	S	S	.	.			trans	-55.2	130.3	178.4	176.8	0	0	0	0	111	R443 S447 S448 P449	R443-S445 PolarHBondContact O-N 2.86Å; S445-S447 PolarHBondContact O-N 2.99Å; S445-S447 PolarHBondContact OG-N 2.96Å; S445-S447 PolarHBondContact OG-OG 3.15Å; S445-S448 CarbonylContact O-C 3.39Å; S445-S448 PolarHBondContact O-N 3.03Å; S445-S448 PolarHBondContact OG-OG 2.79Å; S445-P449 WeakPolarHBondContact O-CA 3.19Å; S445-P449 WeakPolarHBondContact O-CB 3.34Å; S445-P449 VanDerWaalsContact O-CD 3.23Å; S445-P449 WeakPolarHBondContact O-CD 3.43Å
446	S	76.2	Confident	87.8	Confident	102 Å²	102	71.1 Å²	71.1	71%	0.713	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.7	175.8	-57.3	0	0	0	0	112.9	F444 R518	F444-S446 PolarHBondContact O-N 3.17Å; S446-R518 PolarHBondContact OG-NH2 2.91Å
447	S	78.5	Confident	88.1	Confident	110 Å²	110	66 Å²	66	77%	0.769	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-18	179.5	64.1	0	0	0	0	113.6	S445	S445-S447 PolarHBondContact O-N 2.99Å; S445-S447 PolarHBondContact OG-N 2.96Å; S445-S447 PolarHBondContact OG-OG 3.15Å
448	S	84	Confident	88.3	Confident	30 Å²	30	65.8 Å²	65.8	21%	0.21	35%	0.349	C	S	.	.	S	Bend	trans	-153.9	52.3	-174.5	43.8	0	0	0	0	112.5	S445 F450 Q451	S445-S448 CarbonylContact O-C 3.39Å; S445-S448 PolarHBondContact O-N 3.03Å; S445-S448 PolarHBondContact OG-OG 2.79Å; S448-F450 PolarHBondContact O-N 2.73Å; S448-Q451 PolarHBondContact O-N 3.11Å; S448-Q451 VanDerWaalsContact O-N 3.15Å
449	P	81.8	Confident	88.6	Confident	8 Å²	8	63 Å²	63	5%	0.052	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32.6	-170.8	24.4	-33.5	0	0	0	112.7	F444 S445 Q451 N452 F520	F444-P449 HydrophobicContact CB-CB 4.44Å; S445-P449 WeakPolarHBondContact O-CA 3.19Å; S445-P449 WeakPolarHBondContact O-CB 3.34Å; S445-P449 VanDerWaalsContact O-CD 3.23Å; S445-P449 WeakPolarHBondContact O-CD 3.43Å; P449-Q451 PolarHBondContact O-N 2.83Å; P449-N452 PolarHBondContact O-N 3.19Å; P449-F520 HydrophobicContact CB-CD1 3.48Å; P449-F520 VanDerWaalsContact CB-CD1 3.48Å; P449-F520 HydrophobicContact CB-CE1 3.49Å; P449-F520 VanDerWaalsContact CB-CE1 3.49Å; P449-F520 HydrophobicContact CB-CG 4.22Å; P449-F520 HydrophobicContact CB-CZ 4.25Å; P449-F520 HydrophobicContact CG-CB 4.29Å; P449-F520 HydrophobicContact CG-CD1 3.67Å; P449-F520 HydrophobicContact CG-CE1 4.22Å; P449-F520 HydrophobicContact CG-CG 4.1Å
450	F	89.4	Confident	88.6	Confident	65 Å²	65	58.4 Å²	58.4	29%	0.285	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-70.6	-12.6	-178.1	-49.6	-64.4	0	0	0	114.2	S448 N452 L453 M481 F520 Y527	S448-F450 PolarHBondContact O-N 2.73Å; F450-N452 PolarHBondContact O-N 3.46Å; F450-L453 PolarHBondContact O-N 2.97Å; F450-L453 VanDerWaalsContact O-N 3.13Å; F450-L453 VanDerWaalsContact O-O 3.09Å; F450-M481 HydrophobicContact CD1-SD 4.18Å; F450-M481 HydrophobicContact CE1-CE 4.44Å; F450-M481 HydrophobicContact CE1-SD 3.84Å; F450-F520 HydrophobicContact CE1-CB 4.43Å; F450-F520 HydrophobicContact CE1-CD2 4.22Å; F450-F520 HydrophobicContact CE1-CG 4.47Å; F450-F520 HydrophobicContact CZ-CB 4Å; F450-F520 HydrophobicContact CZ-CG 4.48Å; F450-Y527 HydrophobicContact CE1-CD1 4.08Å; F450-Y527 HydrophobicContact CE1-CD2 4.17Å; F450-Y527 HydrophobicContact CE1-CE1 4.17Å; F450-Y527 HydrophobicContact CE1-CE2 4.24Å; F450-Y527 HydrophobicContact CE1-CG 4.06Å; F450-Y527 HydrophobicContact CE2-CD2 4.48Å; F450-Y527 HydrophobicContact CE2-CE2 4.01Å; F450-Y527 HydrophobicContact CZ-CD1 4.16Å; F450-Y527 AromaticContact CZ-CD2 3.5Å; F450-Y527 HydrophobicContact CZ-CD2 3.5Å; F450-Y527 HydrophobicContact CZ-CE1 4.07Å; F450-Y527 AromaticContact CZ-CE2 3.38Å; F450-Y527 HydrophobicContact CZ-CE2 3.38Å; F450-Y527 AromaticContact CZ-CG 3.88Å; F450-Y527 HydrophobicContact CZ-CG 3.88Å; F450-Y527 AromaticContact CZ-CZ 3.67Å
451	Q	89.8	Confident	88.3	Confident	134 Å²	134	59 Å²	59	63%	0.626	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.4	175.8	-73.3	-176.9	-0.1	0	0	112.7	S448 P449 K473	S448-Q451 PolarHBondContact O-N 3.11Å; S448-Q451 VanDerWaalsContact O-N 3.15Å; P449-Q451 PolarHBondContact O-N 2.83Å; Q451-K473 VanDerWaalsContact O-CD 3.29Å; Q451-K473 WeakPolarHBondContact O-CD 3.41Å; Q451-K473 WeakPolarHBondContact O-CE 3.44Å; Q451-K473 PolarHBondContact O-NZ 2.88Å
452	N	89.7	Confident	87.7	Confident	62 Å²	62	61.5 Å²	61.5	33%	0.332	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-88.9	-5.4	179.3	-60	-61.2	0	0	0	113.4	F444 P449 F450 V472 K473	F444-N452 HydrophobicContact CD1-CB 3.85Å; F444-N452 HydrophobicContact CE1-CB 3.84Å; F444-N452 HydrophobicContact CG-CB 4.23Å; F444-N452 HydrophobicContact CZ-CB 4.2Å; P449-N452 PolarHBondContact O-N 3.19Å; F450-N452 PolarHBondContact O-N 3.46Å; N452-V472 WeakPolarHBondContact O-CA 3.3Å; N452-K473 PolarHBondContact O-N 3.16Å
453	L	93.3	Very high	86.9	Confident	15 Å²	15	61.8 Å²	61.8	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.9	-174	-63.4	174.4	0	0	0	110.8	F444 F450 V470 K471 V472 M481 L529	F444-L453 HydrophobicContact CE2-CD2 4.04Å; F444-L453 HydrophobicContact CE2-CG 4.34Å; F444-L453 HydrophobicContact CZ-CD2 4.45Å; F450-L453 PolarHBondContact O-N 2.97Å; F450-L453 VanDerWaalsContact O-N 3.13Å; F450-L453 VanDerWaalsContact O-O 3.09Å; L453-V470 HydrophobicContact CB-CB 4.5Å; L453-V470 HydrophobicContact CD1-CG2 4.37Å; L453-V470 HydrophobicContact CD2-CG2 4.22Å; L453-K471 CarbonylContact C-O 3.57Å; L453-K471 WeakPolarHBondContact CA-O 3.45Å; L453-V472 HydrophobicContact CD2-CG2 4.22Å; L453-M481 HydrophobicContact CD1-SD 4.44Å; L453-L529 HydrophobicContact CD1-CD1 4.37Å
454	E	94.4	Very high	86.4	Confident	102 Å²	102	56.2 Å²	56.2	48%	0.477	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.7	171.4	-178.3	-179.6	-167.1	0	0	108.7	I456 V470 K471 K473	E454-I456 HydrophobicContact CG-CD1 4.11Å; E454-V470 CarbonylContact O-C 3.5Å; E454-V470 WeakPolarHBondContact O-CA 3.4Å; E454-K471 PolarHBondContact N-O 2.79Å; E454-K471 PolarHBondContact O-N 2.66Å; E454-K473 HydrophobicContact CB-CG 4.47Å
455	I	94.3	Very high	86.2	Confident	107 Å²	107	56.2 Å²	56.2	55%	0.549	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.6	174.8	-61.6	170.2	0	0	0	108.2	E468 V470	I455-E468 HydrophobicContact CG2-CB 4.32Å; I455-V470 HydrophobicContact CG1-CG1 4.13Å
456	I	95.1	Very high	86.6	Confident	52 Å²	52	54.9 Å²	54.9	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-52.5	-177.8	-56.9	-57.7	0	0	0	110.9	E454 L469 K471 I736	E454-I456 HydrophobicContact CG-CD1 4.11Å; I456-L469 HydrophobicContact CB-CB 4.4Å; I456-L469 HydrophobicContact CB-CD2 4.21Å; I456-L469 HydrophobicContact CB-CG 4.08Å; I456-L469 HydrophobicContact CG2-CD2 4.07Å; I456-L469 HydrophobicContact CG2-CG 4.49Å; I456-L469 PolarHBondContact N-O 2.9Å; I456-K471 HydrophobicContact CD1-CB 3.9Å; I456-K471 HydrophobicContact CD1-CD 4.43Å; I456-K471 HydrophobicContact CG1-CB 3.86Å; I456-I736 HydrophobicContact CG1-CG2 4.13Å; I456-I736 HydrophobicContact CG2-CB 4.21Å; I456-I736 HydrophobicContact CG2-CG2 4.49Å
457	A	94.2	Very high	87.5	Confident	16 Å²	16	51.9 Å²	51.9	13%	0.132	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	158.7	-174.8	0	0	0	0	0	111.1	E468 L469	A457-E468 CarbonylContact O-C 3.54Å; A457-L469 WeakPolarHBondContact O-CB 3.34Å; A457-L469 PolarHBondContact O-N 2.98Å
458	T	93.6	Very high	88.3	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.117	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.1	169.8	-55.4	0	0	0	0	109.7	V461 R466 V467 E468 Y744	T458-V461 HydrophobicContact CG2-CG2 3.95Å; T458-R466 HydrophobicContact CG2-CB 4.49Å; T458-R466 PolarHBondContact OG1-NH2 2.93Å; T458-V467 CarbonylContact C-O 3.29Å; T458-E468 WeakPolarHBondContact CA-OE2 3.5Å; T458-E468 WeakPolarHBondContact CB-OE2 3.13Å; T458-E468 PolarHBondContact N-OE2 3.4Å; T458-E468 PolarHBondContact OG1-OE1 3.39Å; T458-E468 PolarHBondContact OG1-OE2 2.9Å; T458-Y744 HydrophobicContact CG2-CD2 4.25Å; T458-Y744 HydrophobicContact CG2-CG 4.21Å; T458-Y744 WeakPolarHBondContact O-CD2 3.32Å
459	L	91.8	Very high	88.9	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-31.5	178.4	-61	178.8	0	0	0	112.1	V467 L469 A480 L534 H738 F741 Y744	L459-V467 HydrophobicContact CB-CG1 4.31Å; L459-V467 HydrophobicContact CD1-CG1 4.36Å; L459-V467 PolarHBondContact N-O 3.49Å; L459-L469 HydrophobicContact CD1-CB 3.99Å; L459-L469 HydrophobicContact CD2-CB 3.94Å; L459-L469 HydrophobicContact CD2-CD2 4.34Å; L459-L469 HydrophobicContact CG-CB 3.83Å; L459-A480 HydrophobicContact CD1-CB 4.17Å; L459-L534 HydrophobicContact CD1-CD2 4.47Å; L459-L534 HydrophobicContact CD2-CD2 4.34Å; L459-H738 HydrophobicContact CD2-CB 3.92Å; L459-F741 HydrophobicContact CB-CD1 4.01Å; L459-F741 HydrophobicContact CB-CE1 4.18Å; L459-F741 HydrophobicContact CD2-CB 4.45Å; L459-F741 HydrophobicContact CD2-CD1 4.15Å; L459-F741 HydrophobicContact CD2-CD2 3.85Å; L459-F741 HydrophobicContact CD2-CE1 4.39Å; L459-F741 HydrophobicContact CD2-CE2 4.11Å; L459-F741 HydrophobicContact CD2-CG 3.87Å; L459-F741 HydrophobicContact CD2-CZ 4.37Å; L459-F741 WeakPolarHBondContact O-CD1 3.5Å; L459-Y744 WeakPolarHBondContact O-CE2 3.49Å
460	G	88.4	Confident	89.6	Confident	8 Å²	8	45.3 Å²	45.3	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	157.8	-178.8	0	0	0	0	0	113.9	R466 V467	G460-R466 CarbonylContact O-C 3.56Å; G460-R466 WeakPolarHBondContact O-CA 3.49Å; G460-V467 PolarHBondContact N-O 2.95Å; G460-V467 PolarHBondContact O-N 3.29Å
461	V	84.9	Confident	89.9	Confident	71 Å²	71	44.5 Å²	44.5	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.2	176	-178.2	0	0	0	0	107.9	T458 R466 Y744	T458-V461 HydrophobicContact CG2-CG2 3.95Å; V461-R466 HydrophobicContact CG2-CB 4.3Å; V461-Y744 HydrophobicContact CB-CD1 4.13Å; V461-Y744 HydrophobicContact CB-CE1 4.37Å; V461-Y744 HydrophobicContact CG2-CD1 3.61Å; V461-Y744 HydrophobicContact CG2-CE1 4.29Å; V461-Y744 HydrophobicContact CG2-CG 3.9Å
462	G	76.4	Confident	90.1	Very high	51 Å²	51	38.4 Å²	38.4	53%	0.526	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-178.8	-178.9	0	0	0	0	0	112.3	F464 G465	G462-F464 VanDerWaalsContact C-N 3.28Å; G462-F464 PolarHBondContact O-N 2.95Å; G462-G465 PolarHBondContact N-O 3.11Å; G462-G465 PolarHBondContact O-N 3.37Å
463	G	70.7	Confident	90.2	Very high	68 Å²	68	40.2 Å²	40.2	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-35	-176.4	0	0	0	0	0	114.1	H488	G463-H488 PolarHBondContact O-NE2 3.33Å
464	F	75.8	Confident	90.1	Very high	84 Å²	84	47.8 Å²	47.8	37%	0.368	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.3	-175.4	-59.3	-64.5	0	0	0	114.6	G462 I484 R485 H488 I489 Q494	G462-F464 VanDerWaalsContact C-N 3.28Å; G462-F464 PolarHBondContact O-N 2.95Å; F464-I484 HydrophobicContact CB-CG2 4.31Å; F464-R485 PolarHBondContact O-N 3.27Å; F464-R485 VanDerWaalsContact O-N 3.15Å; F464-H488 AromaticContact CD1-CD2 3.88Å; F464-H488 AromaticContact CD1-NE2 3.98Å; F464-I489 HydrophobicContact CB-CD1 4.24Å; F464-I489 HydrophobicContact CD1-CD1 3.56Å; F464-I489 HydrophobicContact CE1-CD1 4.27Å; F464-I489 HydrophobicContact CG-CD1 4.17Å; F464-Q494 HydrophobicContact CE1-CB 4.48Å; F464-Q494 HydrophobicContact CE1-CG 4Å; F464-Q494 HydrophobicContact CZ-CG 4.5Å
465	G	85.4	Confident	89.9	Confident	16 Å²	16	46.4 Å²	46.4	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-147.6	-173.3	0	0	0	0	0	113.5	G462 C483	G462-G465 PolarHBondContact N-O 3.11Å; G462-G465 PolarHBondContact O-N 3.37Å; G465-C483 VanDerWaalsContact CA-O 3.28Å; G465-C483 WeakPolarHBondContact CA-O 3.29Å
466	R	91.4	Very high	89.6	Confident	23 Å²	23	46.7 Å²	46.7	9%	0.087	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.5	-174.7	71.4	-162.2	-42	-136.4	-3.9	112.4	T458 G460 V461 E468 C483 P745 E747	T458-R466 HydrophobicContact CG2-CB 4.49Å; T458-R466 PolarHBondContact OG1-NH2 2.93Å; G460-R466 CarbonylContact O-C 3.56Å; G460-R466 WeakPolarHBondContact O-CA 3.49Å; V461-R466 HydrophobicContact CG2-CB 4.3Å; R466-E468 WeakPolarHBondContact CD-OE1 3.13Å; R466-E468 HydrophobicContact CG-CG 4.29Å; R466-E468 IonicContact CZ-OE1 3.76Å; R466-E468 IonicContact NE-OE1 3.38Å; R466-E468 PolarHBondContact NE-OE1 2.8Å; R466-E468 VanDerWaalsContact NE-OE1 3.16Å; R466-E468 IonicContact NH1-OE1 3.77Å; R466-E468 PolarHBondContact NH1-OE1 2.96Å; R466-E468 IonicContact NH2-OE1 3.43Å; R466-C483 HydrophobicContact CG-CB 4.2Å; R466-C483 PolarHBondContact N-O 2.99Å; R466-C483 PolarHBondContact O-N 3.04Å; R466-P745 PolarHBondContact NH2-O 3.34Å; R466-P745 VanDerWaalsContact NH2-O 3.1Å; R466-E747 VanDerWaalsContact CD-OE2 3.31Å; R466-E747 WeakPolarHBondContact CD-OE2 3.44Å
467	V	94.3	Very high	89.5	Confident	39 Å²	39	45.8 Å²	45.8	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.8	176.3	-176.4	0	0	0	0	108.2	T458 L459 G460 A480 M481 K482	T458-V467 CarbonylContact C-O 3.29Å; L459-V467 HydrophobicContact CB-CG1 4.31Å; L459-V467 HydrophobicContact CD1-CG1 4.36Å; L459-V467 PolarHBondContact N-O 3.49Å; G460-V467 PolarHBondContact N-O 2.95Å; G460-V467 PolarHBondContact O-N 3.29Å; V467-A480 HydrophobicContact CG1-CB 3.95Å; V467-M481 WeakPolarHBondContact CA-O 3.37Å; V467-K482 HydrophobicContact CG2-CB 4.33Å; V467-K482 HydrophobicContact CG2-CG 4.2Å
468	E	95.7	Very high	89.6	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.2	179.3	-57.1	-68.5	-174.2	0	0	109.9	I455 A457 T458 R466 V470 A480 M481	I455-E468 HydrophobicContact CG2-CB 4.32Å; A457-E468 CarbonylContact O-C 3.54Å; T458-E468 WeakPolarHBondContact CA-OE2 3.5Å; T458-E468 WeakPolarHBondContact CB-OE2 3.13Å; T458-E468 PolarHBondContact N-OE2 3.4Å; T458-E468 PolarHBondContact OG1-OE1 3.39Å; T458-E468 PolarHBondContact OG1-OE2 2.9Å; R466-E468 WeakPolarHBondContact CD-OE1 3.13Å; R466-E468 HydrophobicContact CG-CG 4.29Å; R466-E468 IonicContact CZ-OE1 3.76Å; R466-E468 IonicContact NE-OE1 3.38Å; R466-E468 PolarHBondContact NE-OE1 2.8Å; R466-E468 VanDerWaalsContact NE-OE1 3.16Å; R466-E468 IonicContact NH1-OE1 3.77Å; R466-E468 PolarHBondContact NH1-OE1 2.96Å; R466-E468 IonicContact NH2-OE1 3.43Å; E468-V470 HydrophobicContact CB-CG1 4.22Å; E468-V470 PolarHBondContact O-N 2.78Å; E468-A480 CarbonylContact O-C 3.46Å; E468-M481 PolarHBondContact N-O 3.29Å; E468-M481 PolarHBondContact O-N 2.95Å
469	L	96.7	Very high	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.7	163	179.2	58.8	0	0	0	108.3	I456 A457 L459 A478 A532 L534 H738	I456-L469 HydrophobicContact CB-CB 4.4Å; I456-L469 HydrophobicContact CB-CD2 4.21Å; I456-L469 HydrophobicContact CB-CG 4.08Å; I456-L469 HydrophobicContact CG2-CD2 4.07Å; I456-L469 HydrophobicContact CG2-CG 4.49Å; I456-L469 PolarHBondContact N-O 2.9Å; A457-L469 WeakPolarHBondContact O-CB 3.34Å; A457-L469 PolarHBondContact O-N 2.98Å; L459-L469 HydrophobicContact CD1-CB 3.99Å; L459-L469 HydrophobicContact CD2-CB 3.94Å; L459-L469 HydrophobicContact CD2-CD2 4.34Å; L459-L469 HydrophobicContact CG-CB 3.83Å; L469-A478 HydrophobicContact CD1-CB 4.03Å; L469-A532 HydrophobicContact CD1-CB 4.23Å; L469-L534 HydrophobicContact CD1-CD2 4.08Å; L469-L534 HydrophobicContact CD2-CD2 4.29Å; L469-H738 HydrophobicContact CD2-CB 4.1Å
470	V	96.6	Very high	90	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.3	179	-60.3	0	0	0	0	111	L453 E454 I455 E468 A478 F479 M481 L529	L453-V470 HydrophobicContact CB-CB 4.5Å; L453-V470 HydrophobicContact CD1-CG2 4.37Å; L453-V470 HydrophobicContact CD2-CG2 4.22Å; E454-V470 CarbonylContact O-C 3.5Å; E454-V470 WeakPolarHBondContact O-CA 3.4Å; I455-V470 HydrophobicContact CG1-CG1 4.13Å; E468-V470 HydrophobicContact CB-CG1 4.22Å; E468-V470 PolarHBondContact O-N 2.78Å; V470-A478 CarbonylContact O-C 3.53Å; V470-A478 WeakPolarHBondContact O-CA 3.39Å; V470-F479 HydrophobicContact CG2-CB 3.86Å; V470-F479 PolarHBondContact N-O 2.76Å; V470-F479 PolarHBondContact O-N 3.27Å; V470-M481 HydrophobicContact CG1-CB 3.98Å; V470-M481 HydrophobicContact CG1-CE 3.81Å; V470-M481 HydrophobicContact CG1-SD 4.37Å; V470-M481 HydrophobicContact CG2-CB 4.05Å; V470-L529 HydrophobicContact CG2-CD1 3.83Å
471	K	96.1	Very high	90.4	Very high	47 Å²	47	45 Å²	45	20%	0.204	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.8	178.3	-173.7	-177.3	174.5	177.9	0	110.3	L453 E454 I456 K473 E475 V477 I736	L453-K471 CarbonylContact C-O 3.57Å; L453-K471 WeakPolarHBondContact CA-O 3.45Å; E454-K471 PolarHBondContact N-O 2.79Å; E454-K471 PolarHBondContact O-N 2.66Å; I456-K471 HydrophobicContact CD1-CB 3.9Å; I456-K471 HydrophobicContact CD1-CD 4.43Å; I456-K471 HydrophobicContact CG1-CB 3.86Å; K471-K473 PolarHBondContact O-N 3.17Å; K471-E475 WeakPolarHBondContact CE-O 3.37Å; K471-V477 WeakPolarHBondContact CA-O 2.8Å; K471-I736 HydrophobicContact CB-CG2 4.39Å; K471-I736 HydrophobicContact CD-CG2 3.93Å; K471-I736 HydrophobicContact CG-CG2 4.38Å
472	V	94.5	Very high	90.9	Very high	6 Å²	6	43 Å²	43	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.1	169.5	-177.9	0	0	0	0	108.8	F444 N452 L453 N474 E475 V477 F479	F444-V472 HydrophobicContact CZ-CG1 4.46Å; F444-V472 HydrophobicContact CZ-CG2 4.15Å; N452-V472 WeakPolarHBondContact O-CA 3.3Å; L453-V472 HydrophobicContact CD2-CG2 4.22Å; V472-N474 PolarHBondContact O-N 3.24Å; V472-E475 HydrophobicContact CB-CB 4.15Å; V472-E475 HydrophobicContact CG1-CB 4.15Å; V472-E475 HydrophobicContact CG1-CG 4.08Å; V472-E475 PolarHBondContact O-N 2.81Å; V472-E475 VanDerWaalsContact O-N 3.16Å; V472-E475 VanDerWaalsContact O-O 3.11Å; V472-V477 HydrophobicContact CB-CB 4.4Å; V472-V477 HydrophobicContact CG2-CB 4.12Å; V472-V477 HydrophobicContact CG2-CG1 4.21Å; V472-V477 PolarHBondContact N-O 3Å; V472-F479 HydrophobicContact CG2-CD2 4.21Å; V472-F479 HydrophobicContact CG2-CE2 3.61Å
473	K	91.8	Very high	91.8	Very high	101 Å²	101	41 Å²	41	44%	0.439	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.8	-179.3	-69.8	-177.3	-178.2	172.9	0	110.8	Q451 N452 E454 K471 E475	Q451-K473 VanDerWaalsContact O-CD 3.29Å; Q451-K473 WeakPolarHBondContact O-CD 3.41Å; Q451-K473 WeakPolarHBondContact O-CE 3.44Å; Q451-K473 PolarHBondContact O-NZ 2.88Å; N452-K473 PolarHBondContact O-N 3.16Å; E454-K473 HydrophobicContact CB-CG 4.47Å; K471-K473 PolarHBondContact O-N 3.17Å; K473-E475 PolarHBondContact O-N 3.49Å; K473-E475 VanDerWaalsContact O-N 3.17Å
474	N	89.8	Confident	92.9	Very high	174 Å²	174	37.9 Å²	37.9	93%	0.93	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	11.3	179.9	-48.1	-43.3	0	0	0	115.5	V472	V472-N474 PolarHBondContact O-N 3.24Å
475	E	90.3	Very high	93.8	Very high	72 Å²	72	38.6 Å²	38.6	34%	0.336	20%	0.197	S	C	.	.	S	Bend	trans	-130.3	157.6	178.1	-61.6	-172.9	-176	0	0	111.3	K440 K471 V472 K473 V477	K440-E475 WeakPolarHBondContact CE-OE2 3.46Å; K440-E475 IonicContact NZ-OE1 3.85Å; K440-E475 PolarHBondContact NZ-OE1 3.45Å; K440-E475 IonicContact NZ-OE2 2.78Å; K440-E475 PolarHBondContact NZ-OE2 3.02Å; K471-E475 WeakPolarHBondContact CE-O 3.37Å; V472-E475 HydrophobicContact CB-CB 4.15Å; V472-E475 HydrophobicContact CG1-CB 4.15Å; V472-E475 HydrophobicContact CG1-CG 4.08Å; V472-E475 PolarHBondContact O-N 2.81Å; V472-E475 VanDerWaalsContact O-N 3.16Å; V472-E475 VanDerWaalsContact O-O 3.11Å; K473-E475 PolarHBondContact O-N 3.49Å; K473-E475 VanDerWaalsContact O-N 3.17Å; E475-V477 HydrophobicContact CB-CG2 4.42Å; E475-V477 PolarHBondContact O-N 2.94Å
476	N	89.3	Confident	94.2	Very high	113 Å²	113	38.2 Å²	38.2	60%	0.604	19%	0.19	S	C	*	.	S	Bend	trans	-92.3	43.5	176.7	-154.5	36.7	0	0	0	112.2	P735	N476-P735 HydrophobicContact CB-CG 4.45Å; N476-P735 WeakPolarHBondContact ND2-CD 2.99Å; N476-P735 WeakPolarHBondContact OD1-CD 3.4Å; N476-P735 WeakPolarHBondContact OD1-CG 3.2Å
477	V	92.7	Very high	94.1	Very high	33 Å²	33	40.5 Å²	40.5	20%	0.2	20%	0.201	C	C	.	.			trans	-117.8	126.9	-178.5	-179.5	0	0	0	0	108.7	L437 K471 V472 E475 F479	L437-V477 HydrophobicContact CD2-CG1 3.78Å; K471-V477 WeakPolarHBondContact CA-O 2.8Å; V472-V477 HydrophobicContact CB-CB 4.4Å; V472-V477 HydrophobicContact CG2-CB 4.12Å; V472-V477 HydrophobicContact CG2-CG1 4.21Å; V472-V477 PolarHBondContact N-O 3Å; E475-V477 HydrophobicContact CB-CG2 4.42Å; E475-V477 PolarHBondContact O-N 2.94Å; V477-F479 HydrophobicContact CG1-CD2 4.48Å; V477-F479 HydrophobicContact CG1-CE2 3.67Å; V477-F479 HydrophobicContact CG1-CZ 3.69Å
478	A	95.3	Very high	93.8	Very high	17 Å²	17	41.9 Å²	41.9	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.2	-179.7	0	0	0	0	0	112.1	L469 V470 P735	L469-A478 HydrophobicContact CD1-CB 4.03Å; V470-A478 CarbonylContact O-C 3.53Å; V470-A478 WeakPolarHBondContact O-CA 3.39Å; A478-P735 HydrophobicContact CB-CB 4.23Å; A478-P735 WeakPolarHBondContact CB-O 2.94Å
479	F	97.1	Very high	93.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159.8	-179.1	-60.1	-79.8	0	0	0	110.1	L437 V441 V470 V472 V477 Y517 L529 L530	L437-F479 HydrophobicContact CD2-CE1 4.46Å; L437-F479 HydrophobicContact CD2-CZ 4.12Å; V441-F479 HydrophobicContact CG1-CE1 4.27Å; V441-F479 HydrophobicContact CG1-CE2 3.94Å; V441-F479 HydrophobicContact CG1-CZ 3.62Å; V470-F479 HydrophobicContact CG2-CB 3.86Å; V470-F479 PolarHBondContact N-O 2.76Å; V470-F479 PolarHBondContact O-N 3.27Å; V472-F479 HydrophobicContact CG2-CD2 4.21Å; V472-F479 HydrophobicContact CG2-CE2 3.61Å; V477-F479 HydrophobicContact CG1-CD2 4.48Å; V477-F479 HydrophobicContact CG1-CE2 3.67Å; V477-F479 HydrophobicContact CG1-CZ 3.69Å; F479-Y517 AromaticContact CD1-CD2 3.56Å; F479-Y517 HydrophobicContact CD1-CD2 3.56Å; F479-Y517 AromaticContact CD1-CE2 3.73Å; F479-Y517 HydrophobicContact CD1-CE2 3.73Å; F479-Y517 HydrophobicContact CD1-CG 4.41Å; F479-Y517 AromaticContact CE1-CD2 3.56Å; F479-Y517 HydrophobicContact CE1-CD2 3.56Å; F479-Y517 AromaticContact CE1-CE2 3.71Å; F479-Y517 HydrophobicContact CE1-CE2 3.71Å; F479-Y517 HydrophobicContact CE1-CG 4.05Å; F479-L529 HydrophobicContact CB-CD1 3.52Å; F479-L529 HydrophobicContact CB-CG 3.92Å; F479-L529 HydrophobicContact CD1-CD2 4.43Å; F479-L529 HydrophobicContact CD1-CG 4.23Å; F479-L529 HydrophobicContact CD2-CD1 4.31Å; F479-L529 HydrophobicContact CD2-CD2 4.24Å; F479-L529 HydrophobicContact CD2-CG 4.44Å; F479-L529 HydrophobicContact CG-CD1 3.97Å; F479-L529 HydrophobicContact CG-CD2 4.19Å; F479-L529 HydrophobicContact CG-CG 3.96Å; F479-L530 WeakPolarHBondContact CB-O 3.26Å
480	A	97.3	Very high	92.9	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.7	166.2	0	0	0	0	0	108.9	L459 V467 E468 L530	L459-A480 HydrophobicContact CD1-CB 4.17Å; V467-A480 HydrophobicContact CG1-CB 3.95Å; E468-A480 CarbonylContact O-C 3.46Å; A480-L530 HydrophobicContact CB-CB 4.36Å; A480-L530 PolarHBondContact N-O 3.16Å; A480-L530 WeakPolarHBondContact O-CA 3.42Å; A480-L530 WeakPolarHBondContact O-CB 3.35Å; A480-L530 PolarHBondContact O-N 3.24Å
481	M	96.8	Very high	92.2	Very high	8 Å²	8	48 Å²	48	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103.7	-179.9	-171.9	169.7	70.5	0	0	110.1	F450 L453 V467 E468 V470 C483 Y527 M528 L529	F450-M481 HydrophobicContact CD1-SD 4.18Å; F450-M481 HydrophobicContact CE1-CE 4.44Å; F450-M481 HydrophobicContact CE1-SD 3.84Å; L453-M481 HydrophobicContact CD1-SD 4.44Å; V467-M481 WeakPolarHBondContact CA-O 3.37Å; E468-M481 PolarHBondContact N-O 3.29Å; E468-M481 PolarHBondContact O-N 2.95Å; V470-M481 HydrophobicContact CG1-CB 3.98Å; V470-M481 HydrophobicContact CG1-CE 3.81Å; V470-M481 HydrophobicContact CG1-SD 4.37Å; V470-M481 HydrophobicContact CG2-CB 4.05Å; M481-C483 PolarHBondContact O-N 2.63Å; M481-C483 PolarHBondContact O-SG 2.94Å; M481-C483 VanDerWaalsContact O-SG 3.4Å; M481-Y527 HydrophobicContact CE-CD1 4.19Å; M481-Y527 HydrophobicContact CE-CE1 4.39Å; M481-Y527 HydrophobicContact CG-CD1 4.12Å; M481-Y527 HydrophobicContact SD-CD1 3.97Å; M481-M528 WeakPolarHBondContact CA-O 3.32Å; M481-L529 HydrophobicContact CB-CD1 4.22Å; M481-L529 HydrophobicContact CG-CD1 4.46Å
482	K	95.9	Very high	91.1	Very high	30 Å²	30	48.2 Å²	48.2	13%	0.13	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	113.1	172.8	-168.8	-179.2	-170.3	-176.8	0	108.1	V467 I484 E501 Y527 M528 L530 D594	V467-K482 HydrophobicContact CG2-CB 4.33Å; V467-K482 HydrophobicContact CG2-CG 4.2Å; K482-I484 HydrophobicContact CD-CD1 4.17Å; K482-I484 HydrophobicContact CD-CG1 4.45Å; K482-I484 HydrophobicContact CG-CD1 4.3Å; K482-I484 HydrophobicContact CG-CG1 4.07Å; K482-E501 IonicContact NZ-OE1 3.98Å; K482-E501 PolarHBondContact NZ-OE1 3.41Å; K482-E501 IonicContact NZ-OE2 2.65Å; K482-E501 PolarHBondContact NZ-OE2 3.48Å; K482-Y527 CarbonylContact O-C 3.44Å; K482-Y527 VanDerWaalsContact O-CA 3.29Å; K482-Y527 WeakPolarHBondContact O-CA 3.31Å; K482-M528 HydrophobicContact CB-CB 4.22Å; K482-M528 HydrophobicContact CD-SD 4.26Å; K482-M528 PolarHBondContact N-O 3.05Å; K482-M528 PolarHBondContact O-N 3.35Å; K482-L530 HydrophobicContact CB-CD1 4.18Å; K482-D594 IonicContact NZ-OD1 2.61Å; K482-D594 PolarHBondContact NZ-OD1 3.09Å
483	C	94.8	Very high	90.3	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.2	-179.6	-51.9	0	0	0	0	108.9	G465 R466 M481 Y525 Y527	G465-C483 VanDerWaalsContact CA-O 3.28Å; G465-C483 WeakPolarHBondContact CA-O 3.29Å; R466-C483 HydrophobicContact CG-CB 4.2Å; R466-C483 PolarHBondContact N-O 2.99Å; R466-C483 PolarHBondContact O-N 3.04Å; M481-C483 PolarHBondContact O-N 2.63Å; M481-C483 PolarHBondContact O-SG 2.94Å; M481-C483 VanDerWaalsContact O-SG 3.4Å; C483-Y525 HydrophobicContact CB-CD1 4.34Å; C483-Y527 HydrophobicContact CB-CD1 4.07Å; C483-Y527 HydrophobicContact CB-CE1 4.09Å
484	I	93.9	Very high	89.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126	-171.9	-57.7	171.8	0	0	0	109.6	F464 K482 K486 I489 V498 Y525 V526 M528	F464-I484 HydrophobicContact CB-CG2 4.31Å; K482-I484 HydrophobicContact CD-CD1 4.17Å; K482-I484 HydrophobicContact CD-CG1 4.45Å; K482-I484 HydrophobicContact CG-CD1 4.3Å; K482-I484 HydrophobicContact CG-CG1 4.07Å; I484-K486 PolarHBondContact O-N 2.61Å; I484-I489 HydrophobicContact CG2-CD1 3.67Å; I484-I489 HydrophobicContact CG2-CG1 3.51Å; I484-V498 HydrophobicContact CD1-CG1 3.9Å; I484-Y525 WeakPolarHBondContact O-CA 3.23Å; I484-V526 HydrophobicContact CB-CG2 3.77Å; I484-V526 HydrophobicContact CD1-CG2 4.32Å; I484-V526 HydrophobicContact CG2-CG2 4.18Å; I484-V526 PolarHBondContact N-O 2.79Å; I484-V526 PolarHBondContact O-N 2.92Å; I484-M528 HydrophobicContact CD1-CE 4.09Å; I484-M528 HydrophobicContact CD1-SD 4.3Å
485	R	93.5	Very high	89.5	Confident	100 Å²	100	42.7 Å²	42.7	38%	0.377	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.9	-175.6	-65.6	177	-179.2	167.3	-0.3	111.5	F464 K487 H488 I489 Y525 E747 P751	F464-R485 PolarHBondContact O-N 3.27Å; F464-R485 VanDerWaalsContact O-N 3.15Å; R485-K487 PolarHBondContact O-N 3.07Å; R485-H488 HydrophobicContact CB-CB 4.02Å; R485-H488 PolarHBondContact O-N 2.98Å; R485-I489 WeakPolarHBondContact O-CG1 3.46Å; R485-I489 PolarHBondContact O-N 3.25Å; R485-I489 VanDerWaalsContact O-N 3.16Å; R485-Y525 HydrophobicContact CG-CD1 4.04Å; R485-Y525 HydrophobicContact CG-CE1 3.59Å; R485-E747 IonicContact CZ-OE1 2.81Å; R485-E747 IonicContact NE-OE1 3.48Å; R485-E747 PolarHBondContact NE-OE1 3.03Å; R485-E747 IonicContact NH2-OE1 2.68Å; R485-E747 PolarHBondContact NH2-OE1 3.37Å; R485-P751 HydrophobicContact CG-CG 4Å
486	K	93.7	Very high	89.1	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-48	-176.8	-68.3	173.9	67.3	173	0	113.1	I484 H488 I489 V490 D522 K524 V526 E754 W758 D759	I484-K486 PolarHBondContact O-N 2.61Å; K486-H488 VanDerWaalsContact C-N 3.28Å; K486-H488 PolarHBondContact O-N 2.81Å; K486-I489 WeakPolarHBondContact O-CB 3.41Å; K486-I489 PolarHBondContact O-N 2.84Å; K486-I489 VanDerWaalsContact O-N 3.12Å; K486-V490 WeakPolarHBondContact O-CG2 3.48Å; K486-V490 PolarHBondContact O-N 3.29Å; K486-D522 WeakPolarHBondContact CD-O 3.5Å; K486-D522 PolarHBondContact NZ-O 3.31Å; K486-K524 WeakPolarHBondContact CB-O 2.95Å; K486-K524 WeakPolarHBondContact CG-O 3.17Å; K486-K524 PolarHBondContact N-O 3.32Å; K486-V526 HydrophobicContact CD-CG1 4.4Å; K486-V526 HydrophobicContact CG-CG1 4.11Å; K486-E754 HydrophobicContact CB-CB 3.62Å; K486-E754 HydrophobicContact CB-CG 4.05Å; K486-E754 WeakPolarHBondContact CE-O 3.12Å; K486-E754 WeakPolarHBondContact CE-OE2 3.26Å; K486-E754 PolarHBondContact NZ-O 3.32Å; K486-E754 IonicContact NZ-OE2 2.9Å; K486-W758 HydrophobicContact CG-CZ2 4.27Å; K486-D759 WeakPolarHBondContact CE-OD1 3.44Å; K486-D759 WeakPolarHBondContact CE-OD2 3.35Å; K486-D759 IonicContact NZ-OD1 2.99Å; K486-D759 PolarHBondContact NZ-OD1 2.97Å; K486-D759 IonicContact NZ-OD2 2.63Å; K486-D759 PolarHBondContact NZ-OD2 2.88Å
487	K	90.6	Very high	88.6	Confident	72 Å²	72	37 Å²	37	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-57.6	-42.3	-179.9	-174.4	66.6	167.7	67.5	0	112.2	R485 V490 D491 P752 E754	R485-K487 PolarHBondContact O-N 3.07Å; K487-V490 PolarHBondContact O-N 3.05Å; K487-D491 IonicContact NZ-OD1 3.75Å; K487-D491 PolarHBondContact NZ-OD1 2.84Å; K487-D491 IonicContact NZ-OD2 2.61Å; K487-D491 PolarHBondContact NZ-OD2 3.25Å; K487-D491 WeakPolarHBondContact O-CB 3.4Å; K487-D491 PolarHBondContact O-N 2.9Å; K487-P752 HydrophobicContact CB-CG 3.88Å; K487-P752 HydrophobicContact CD-CG 4.33Å; K487-P752 HydrophobicContact CG-CG 3.67Å; K487-E754 HydrophobicContact CB-CB 4.49Å
488	H	87.3	Confident	88.4	Confident	68 Å²	68	35.7 Å²	35.7	32%	0.315	17%	0.174	S	C	.	.	H	α-helix	trans	-64.9	-41.1	178.6	-177.4	69.2	0	0	0	111.6	G463 F464 R485 K486 V490 D491 T492	G463-H488 PolarHBondContact O-NE2 3.33Å; F464-H488 AromaticContact CD1-CD2 3.88Å; F464-H488 AromaticContact CD1-NE2 3.98Å; R485-H488 HydrophobicContact CB-CB 4.02Å; R485-H488 PolarHBondContact O-N 2.98Å; K486-H488 VanDerWaalsContact C-N 3.28Å; K486-H488 PolarHBondContact O-N 2.81Å; H488-V490 PolarHBondContact O-N 3.35Å; H488-D491 PolarHBondContact O-N 3.48Å; H488-T492 WeakPolarHBondContact O-CB 2.93Å; H488-T492 WeakPolarHBondContact O-CG2 3.48Å; H488-T492 PolarHBondContact O-N 3.49Å; H488-T492 PolarHBondContact O-OG1 3.42Å
489	I	87.3	Confident	88.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-41.9	175.1	-63	-56.1	0	0	0	111.7	F464 I484 R485 K486 T492 K493 Q494 Q495 V498 W758	F464-I489 HydrophobicContact CB-CD1 4.24Å; F464-I489 HydrophobicContact CD1-CD1 3.56Å; F464-I489 HydrophobicContact CE1-CD1 4.27Å; F464-I489 HydrophobicContact CG-CD1 4.17Å; I484-I489 HydrophobicContact CG2-CD1 3.67Å; I484-I489 HydrophobicContact CG2-CG1 3.51Å; R485-I489 WeakPolarHBondContact O-CG1 3.46Å; R485-I489 PolarHBondContact O-N 3.25Å; R485-I489 VanDerWaalsContact O-N 3.16Å; K486-I489 WeakPolarHBondContact O-CB 3.41Å; K486-I489 PolarHBondContact O-N 2.84Å; K486-I489 VanDerWaalsContact O-N 3.12Å; I489-T492 PolarHBondContact O-OG1 2.68Å; I489-K493 WeakPolarHBondContact O-CA 3.5Å; I489-K493 PolarHBondContact O-N 3.48Å; I489-Q494 HydrophobicContact CD1-CB 4.28Å; I489-Q494 HydrophobicContact CG2-CB 4.19Å; I489-Q494 PolarHBondContact O-N 3.43Å; I489-Q495 HydrophobicContact CG2-CB 4.29Å; I489-Q495 HydrophobicContact CG2-CG 4Å; I489-V498 HydrophobicContact CD1-CG2 3.68Å; I489-V498 HydrophobicContact CG1-CG2 4.05Å; I489-V498 HydrophobicContact CG2-CG2 4.01Å; I489-W758 HydrophobicContact CB-CH2 4.5Å; I489-W758 HydrophobicContact CB-CZ2 4.18Å; I489-W758 HydrophobicContact CG2-CH2 3.82Å; I489-W758 HydrophobicContact CG2-CZ2 3.85Å; I489-W758 HydrophobicContact CG2-CZ3 4.49Å
490	V	86.4	Confident	87.7	Confident	40 Å²	40	36.9 Å²	36.9	24%	0.242	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-45.3	176.6	174.6	0	0	0	0	111.5	K486 K487 H488 T492 K493 E754	K486-V490 WeakPolarHBondContact O-CG2 3.48Å; K486-V490 PolarHBondContact O-N 3.29Å; K487-V490 PolarHBondContact O-N 3.05Å; H488-V490 PolarHBondContact O-N 3.35Å; V490-T492 VanDerWaalsContact C-N 3.26Å; V490-T492 PolarHBondContact O-N 3.01Å; V490-K493 PolarHBondContact O-N 3.43Å; V490-E754 HydrophobicContact CB-CG 4.42Å; V490-E754 HydrophobicContact CG2-CG 3.76Å
491	D	81.7	Confident	87.4	Confident	98 Å²	98	36.9 Å²	36.9	52%	0.524	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-34.6	-179.6	-70.1	-17.5	0	0	0	112.2	K487 H488	K487-D491 IonicContact NZ-OD1 3.75Å; K487-D491 PolarHBondContact NZ-OD1 2.84Å; K487-D491 IonicContact NZ-OD2 2.61Å; K487-D491 PolarHBondContact NZ-OD2 3.25Å; K487-D491 WeakPolarHBondContact O-CB 3.4Å; K487-D491 PolarHBondContact O-N 2.9Å; H488-D491 PolarHBondContact O-N 3.48Å
492	T	74.1	Confident	87.3	Confident	52 Å²	52	37.2 Å²	37.2	32%	0.319	18%	0.177	S	C	.	.	H	α-helix	trans	-90.7	-3.4	176.6	57.2	0	0	0	0	113.4	H488 I489 V490 Q494	H488-T492 WeakPolarHBondContact O-CB 2.93Å; H488-T492 WeakPolarHBondContact O-CG2 3.48Å; H488-T492 PolarHBondContact O-N 3.49Å; H488-T492 PolarHBondContact O-OG1 3.42Å; I489-T492 PolarHBondContact O-OG1 2.68Å; V490-T492 VanDerWaalsContact C-N 3.26Å; V490-T492 PolarHBondContact O-N 3.01Å; T492-Q494 VanDerWaalsContact C-N 3.33Å; T492-Q494 WeakPolarHBondContact O-CG 3.47Å; T492-Q494 PolarHBondContact O-N 3.13Å; T492-Q494 PolarHBondContact O-NE2 2.99Å; T492-Q494 VanDerWaalsContact O-NE2 3.09Å; T492-Q494 WeakPolarHBondContact OG1-CG 3.26Å
493	K	77.2	Confident	87.2	Confident	110 Å²	110	41.9 Å²	41.9	48%	0.478	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.4	-179.7	-57	174.9	177.8	-177.9	0	114	T130 I489 V490 Q495	T130-K493 HydrophobicContact CG2-CB 3.71Å; T130-K493 HydrophobicContact CG2-CD 3.22Å; T130-K493 HydrophobicContact CG2-CG 4.12Å; I489-K493 WeakPolarHBondContact O-CA 3.5Å; I489-K493 PolarHBondContact O-N 3.48Å; V490-K493 PolarHBondContact O-N 3.43Å; K493-Q495 VanDerWaalsContact CA-OE1 3.3Å
494	Q	79.4	Confident	87.1	Confident	35 Å²	35	41.9 Å²	41.9	16%	0.164	19%	0.194	C	C	.	.			trans	-102.1	14	-174.1	-55.8	-73.4	-63	0	0	113.4	F464 I489 T492 E496 H497 V498	F464-Q494 HydrophobicContact CE1-CB 4.48Å; F464-Q494 HydrophobicContact CE1-CG 4Å; F464-Q494 HydrophobicContact CZ-CG 4.5Å; I489-Q494 HydrophobicContact CD1-CB 4.28Å; I489-Q494 HydrophobicContact CG2-CB 4.19Å; I489-Q494 PolarHBondContact O-N 3.43Å; T492-Q494 VanDerWaalsContact C-N 3.33Å; T492-Q494 WeakPolarHBondContact O-CG 3.47Å; T492-Q494 PolarHBondContact O-N 3.13Å; T492-Q494 PolarHBondContact O-NE2 2.99Å; T492-Q494 VanDerWaalsContact O-NE2 3.09Å; T492-Q494 WeakPolarHBondContact OG1-CG 3.26Å; Q494-E496 VanDerWaalsContact C-N 3.28Å; Q494-E496 PolarHBondContact O-N 2.88Å; Q494-H497 WeakPolarHBondContact O-CB 3.48Å; Q494-H497 PolarHBondContact O-N 2.79Å; Q494-H497 PolarHBondContact OE1-CE1 3.28Å; Q494-H497 PolarHBondContact OE1-ND1 3.21Å; Q494-V498 PolarHBondContact O-N 2.99Å
495	Q	85.9	Confident	87.2	Confident	20 Å²	20	41.9 Å²	41.9	9%	0.093	19%	0.194	C	C	.	.	H	α-helix	trans	-54.9	-44.5	-173.4	-59.9	88.1	-27.2	0	0	112.3	T131 I489 K493 H497 V498 Y499 W758	T131-Q495 HydrophobicContact CG2-CB 3.65Å; T131-Q495 HydrophobicContact CG2-CG 4.08Å; T131-Q495 PolarHBondContact OG1-OE1 3.37Å; I489-Q495 HydrophobicContact CG2-CB 4.29Å; I489-Q495 HydrophobicContact CG2-CG 4Å; K493-Q495 VanDerWaalsContact CA-OE1 3.3Å; Q495-H497 VanDerWaalsContact C-N 3.29Å; Q495-H497 PolarHBondContact O-N 2.86Å; Q495-V498 PolarHBondContact O-N 2.81Å; Q495-Y499 PolarHBondContact O-N 3.16Å; Q495-W758 HydrophobicContact CB-CD2 3.89Å; Q495-W758 HydrophobicContact CB-CE3 3.43Å; Q495-W758 VanDerWaalsContact CB-CE3 3.43Å; Q495-W758 HydrophobicContact CB-CG 4.47Å; Q495-W758 HydrophobicContact CB-CZ3 3.78Å; Q495-W758 HydrophobicContact CG-CB 4.24Å; Q495-W758 HydrophobicContact CG-CD2 3.48Å; Q495-W758 VanDerWaalsContact CG-CD2 3.48Å; Q495-W758 HydrophobicContact CG-CE3 3.61Å; Q495-W758 HydrophobicContact CG-CG 3.77Å; Q495-W758 HydrophobicContact CG-CZ3 4.17Å
496	E	80.7	Confident	87.1	Confident	51 Å²	51	41.3 Å²	41.3	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-29.6	-179.5	-63.6	-60.4	141.4	0	0	112.8	T131 Y134 Q494 V498 Y499 S500	T131-E496 HydrophobicContact CG2-CG 3.68Å; T131-E496 WeakPolarHBondContact O-CG 3.5Å; Y134-E496 HydrophobicContact CD1-CB 3.49Å; Y134-E496 VanDerWaalsContact CD1-CB 3.49Å; Y134-E496 HydrophobicContact CD1-CG 4.29Å; Y134-E496 HydrophobicContact CD2-CB 4Å; Y134-E496 HydrophobicContact CE1-CB 4.16Å; Y134-E496 HydrophobicContact CG-CB 3.4Å; Y134-E496 HydrophobicContact CG-CG 4.09Å; Q494-E496 VanDerWaalsContact C-N 3.28Å; Q494-E496 PolarHBondContact O-N 2.88Å; E496-V498 VanDerWaalsContact C-N 3.35Å; E496-Y499 PolarHBondContact O-N 2.95Å; E496-S500 VanDerWaalsContact O-CB 3.25Å; E496-S500 WeakPolarHBondContact O-CB 3.42Å; E496-S500 PolarHBondContact O-N 2.56Å
497	H	79.5	Confident	87	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.06	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-42.1	174.2	-64.1	173	0	0	0	111	E128 Y134 Q494 Q495 Y499 S500 E501	E128-H497 WeakPolarHBondContact CB-CE1 3.34Å; E128-H497 WeakPolarHBondContact CB-NE2 3.45Å; E128-H497 IonicContact OE2-NE2 2.64Å; Y134-H497 AromaticContact CD2-CD2 3.71Å; Y134-H497 AromaticContact CD2-NE2 3.84Å; Y134-H497 AromaticContact CE2-CD2 3.13Å; Y134-H497 WeakPolarHBondContact CE2-CD2 3.48Å; Y134-H497 AromaticContact CE2-NE2 3.48Å; Y134-H497 WeakPolarHBondContact CE2-NE2 3.33Å; Y134-H497 AromaticContact CZ-CD2 3.79Å; Q494-H497 WeakPolarHBondContact O-CB 3.48Å; Q494-H497 PolarHBondContact O-N 2.79Å; Q494-H497 PolarHBondContact OE1-CE1 3.28Å; Q494-H497 PolarHBondContact OE1-ND1 3.21Å; Q495-H497 VanDerWaalsContact C-N 3.29Å; Q495-H497 PolarHBondContact O-N 2.86Å; H497-Y499 VanDerWaalsContact C-N 3.28Å; H497-Y499 PolarHBondContact O-N 3.38Å; H497-S500 PolarHBondContact O-N 3.04Å; H497-E501 WeakPolarHBondContact O-CB 3.46Å; H497-E501 PolarHBondContact O-N 3.36Å
498	V	88.8	Confident	87	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-36.3	179	-174.7	0	0	0	0	110.1	I484 I489 Q494 Q495 E496 K502 V526 M528 W758 F762	I484-V498 HydrophobicContact CD1-CG1 3.9Å; I489-V498 HydrophobicContact CD1-CG2 3.68Å; I489-V498 HydrophobicContact CG1-CG2 4.05Å; I489-V498 HydrophobicContact CG2-CG2 4.01Å; Q494-V498 PolarHBondContact O-N 2.99Å; Q495-V498 PolarHBondContact O-N 2.81Å; E496-V498 VanDerWaalsContact C-N 3.35Å; V498-K502 WeakPolarHBondContact O-CB 3.37Å; V498-K502 PolarHBondContact O-N 3.2Å; V498-K502 VanDerWaalsContact O-N 3.08Å; V498-V526 HydrophobicContact CG1-CG2 3.95Å; V498-M528 HydrophobicContact CG1-CE 3.92Å; V498-M528 WeakPolarHBondContact O-CE 3.39Å; V498-W758 HydrophobicContact CB-CH2 4.19Å; V498-W758 HydrophobicContact CB-CZ3 4.33Å; V498-W758 HydrophobicContact CG1-CH2 4.17Å; V498-F762 HydrophobicContact CG1-CE1 4.19Å; V498-F762 HydrophobicContact CG1-CE2 4.4Å; V498-F762 HydrophobicContact CG1-CZ 3.65Å
499	Y	89.3	Confident	87	Confident	26 Å²	26	41.3 Å²	41.3	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-42.6	171.3	-89	-58.9	0	0	0	114.1	Q495 E496 H497 K502 R503 W758 D759 K760 D761 F762	Q495-Y499 PolarHBondContact O-N 3.16Å; E496-Y499 PolarHBondContact O-N 2.95Å; H497-Y499 VanDerWaalsContact C-N 3.28Å; H497-Y499 PolarHBondContact O-N 3.38Å; Y499-K502 WeakPolarHBondContact O-CB 3.28Å; Y499-K502 PolarHBondContact O-N 2.99Å; Y499-R503 WeakPolarHBondContact O-CB 3.06Å; Y499-R503 VanDerWaalsContact O-CG 3.31Å; Y499-R503 WeakPolarHBondContact O-CG 3.43Å; Y499-R503 PolarHBondContact O-N 2.65Å; Y499-W758 HydrophobicContact CD2-CE3 4.13Å; Y499-W758 HydrophobicContact CD2-CZ3 4.16Å; Y499-W758 AromaticContact CE2-CE3 3.64Å; Y499-W758 HydrophobicContact CE2-CE3 3.64Å; Y499-W758 AromaticContact CE2-CZ3 4Å; Y499-W758 HydrophobicContact CE2-CZ3 4Å; Y499-W758 WeakPolarHBondContact CE2-O 3.17Å; Y499-W758 PolarHBondContact OH-O 3.02Å; Y499-D759 VanDerWaalsContact OH-C 3.28Å; Y499-D759 VanDerWaalsContact OH-CA 3.23Å; Y499-D759 WeakPolarHBondContact OH-CA 3.43Å; Y499-K760 PolarHBondContact OH-N 3.33Å; Y499-D761 HydrophobicContact CE1-CB 3.99Å; Y499-D761 PolarHBondContact OH-N 3.06Å; Y499-F762 HydrophobicContact CD1-CD2 4.29Å; Y499-F762 AromaticContact CD1-CE2 3.55Å; Y499-F762 HydrophobicContact CD1-CE2 3.55Å; Y499-F762 HydrophobicContact CD1-CZ 4.27Å; Y499-F762 HydrophobicContact CD2-CE2 4.44Å; Y499-F762 AromaticContact CE1-CD2 3.6Å; Y499-F762 HydrophobicContact CE1-CD2 3.6Å; Y499-F762 AromaticContact CE1-CE2 3.31Å; Y499-F762 HydrophobicContact CE1-CE2 3.31Å; Y499-F762 HydrophobicContact CE1-CZ 4.37Å; Y499-F762 HydrophobicContact CE2-CE2 4.29Å; Y499-F762 HydrophobicContact CG-CE2 4.1Å; Y499-F762 AromaticContact CZ-CD2 3.87Å; Y499-F762 AromaticContact CZ-CE2 3.73Å
500	S	87	Confident	87.2	Confident	17 Å²	17	41.7 Å²	41.7	12%	0.119	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-47.5	177.6	-169.5	0	0	0	0	110.8	Y134 E496 H497 K502 R503 I504	Y134-S500 WeakPolarHBondContact OH-CB 3.43Å; Y134-S500 PolarHBondContact OH-OG 3.03Å; E496-S500 VanDerWaalsContact O-CB 3.25Å; E496-S500 WeakPolarHBondContact O-CB 3.42Å; E496-S500 PolarHBondContact O-N 2.56Å; H497-S500 PolarHBondContact O-N 3.04Å; S500-K502 VanDerWaalsContact C-N 3.33Å; S500-K502 PolarHBondContact O-N 3.35Å; S500-R503 PolarHBondContact O-N 3.32Å; S500-I504 WeakPolarHBondContact O-CB 3.43Å; S500-I504 VanDerWaalsContact O-CG1 3.31Å; S500-I504 WeakPolarHBondContact O-CG1 3.2Å; S500-I504 PolarHBondContact O-N 3.35Å
501	E	92.6	Very high	87.5	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-55.4	-48.7	173.9	176.5	169.9	-152.4	0	0	110.6	K482 H497 L505 M528 F595	K482-E501 IonicContact NZ-OE1 3.98Å; K482-E501 PolarHBondContact NZ-OE1 3.41Å; K482-E501 IonicContact NZ-OE2 2.65Å; K482-E501 PolarHBondContact NZ-OE2 3.48Å; H497-E501 WeakPolarHBondContact O-CB 3.46Å; H497-E501 PolarHBondContact O-N 3.36Å; E501-L505 HydrophobicContact CG-CD1 3.81Å; E501-L505 WeakPolarHBondContact O-CB 3.41Å; E501-L505 VanDerWaalsContact O-CG 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.35Å; E501-L505 PolarHBondContact O-N 3Å; E501-M528 HydrophobicContact CB-CE 4.4Å; E501-M528 HydrophobicContact CG-CE 4.14Å; E501-M528 HydrophobicContact CG-SD 4.29Å; E501-F595 HydrophobicContact CG-CB 4.01Å; E501-F595 PolarHBondContact OE1-N 3.12Å; E501-F595 VanDerWaalsContact OE1-N 3.16Å
502	K	93.8	Very high	88.2	Confident	15 Å²	15	36.5 Å²	36.5	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-58.1	175.4	175.8	-178.6	167.3	156.7	0	111.6	V498 Y499 S500 I504 L505 E506 L516 T519 M528 D761 F762	V498-K502 WeakPolarHBondContact O-CB 3.37Å; V498-K502 PolarHBondContact O-N 3.2Å; V498-K502 VanDerWaalsContact O-N 3.08Å; Y499-K502 WeakPolarHBondContact O-CB 3.28Å; Y499-K502 PolarHBondContact O-N 2.99Å; S500-K502 VanDerWaalsContact C-N 3.33Å; S500-K502 PolarHBondContact O-N 3.35Å; K502-I504 VanDerWaalsContact C-N 3.33Å; K502-I504 PolarHBondContact O-N 3.49Å; K502-L505 PolarHBondContact O-N 3.5Å; K502-E506 VanDerWaalsContact CE-CD 3.48Å; K502-E506 WeakPolarHBondContact CE-OE1 3.35Å; K502-E506 HydrophobicContact CG-CG 4.39Å; K502-E506 IonicContact NZ-OE1 3.77Å; K502-E506 WeakPolarHBondContact O-CG 3.49Å; K502-E506 PolarHBondContact O-N 3.5Å; K502-L516 HydrophobicContact CG-CD2 4.5Å; K502-T519 HydrophobicContact CD-CG2 4.02Å; K502-T519 WeakPolarHBondContact CE-OG1 3.33Å; K502-T519 HydrophobicContact CG-CG2 4.13Å; K502-T519 PolarHBondContact NZ-OG1 2.94Å; K502-M528 HydrophobicContact CB-CE 4.05Å; K502-D761 PolarHBondContact NZ-O 3.41Å; K502-F762 HydrophobicContact CB-CE1 4.28Å; K502-F762 HydrophobicContact CB-CZ 4.02Å; K502-F762 HydrophobicContact CD-CD1 4.12Å; K502-F762 HydrophobicContact CD-CD2 4.49Å; K502-F762 HydrophobicContact CD-CE1 3.77Å; K502-F762 HydrophobicContact CD-CE2 4.18Å; K502-F762 HydrophobicContact CD-CG 4.45Å; K502-F762 HydrophobicContact CD-CZ 3.75Å; K502-F762 HydrophobicContact CG-CE1 4.43Å; K502-F762 HydrophobicContact CG-CZ 4.44Å
503	R	92.8	Very high	89.3	Confident	129 Å²	129	34.1 Å²	34.1	49%	0.487	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-42.7	-174	-73.4	173.3	70	-177.9	1.2	111.6	D135 Y499 S500 E506 E507	D135-R503 IonicContact OD2-NH1 2.72Å; D135-R503 PolarHBondContact OD2-NH1 3.26Å; Y499-R503 WeakPolarHBondContact O-CB 3.06Å; Y499-R503 VanDerWaalsContact O-CG 3.31Å; Y499-R503 WeakPolarHBondContact O-CG 3.43Å; Y499-R503 PolarHBondContact O-N 2.65Å; S500-R503 PolarHBondContact O-N 3.32Å; R503-E506 PolarHBondContact O-N 3.09Å; R503-E507 PolarHBondContact O-N 3.27Å
504	I	94.1	Very high	90.2	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-56.1	175.6	-73.1	171.2	0	0	0	109	S500 K502 E506 E507 L508 I572 F595 A598	S500-I504 WeakPolarHBondContact O-CB 3.43Å; S500-I504 VanDerWaalsContact O-CG1 3.31Å; S500-I504 WeakPolarHBondContact O-CG1 3.2Å; S500-I504 PolarHBondContact O-N 3.35Å; K502-I504 VanDerWaalsContact C-N 3.33Å; K502-I504 PolarHBondContact O-N 3.49Å; I504-E506 PolarHBondContact O-N 3.42Å; I504-E507 PolarHBondContact O-N 2.9Å; I504-L508 HydrophobicContact CG2-CD1 3.8Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CG 3.32Å; I504-L508 WeakPolarHBondContact O-CG 3.49Å; I504-L508 PolarHBondContact O-N 3.5Å; I504-I572 HydrophobicContact CD1-CG2 4.41Å; I504-I572 HydrophobicContact CG2-CD1 4.23Å; I504-I572 HydrophobicContact CG2-CG2 4.22Å; I504-F595 HydrophobicContact CG2-CD1 3.72Å; I504-F595 HydrophobicContact CG2-CE1 4.38Å; I504-F595 HydrophobicContact CG2-CG 4.46Å; I504-A598 HydrophobicContact CD1-CB 3.76Å; I504-A598 HydrophobicContact CG2-CB 4.43Å
505	L	94.9	Very high	90.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-29.8	-178.4	-75.7	171.2	0	0	0	113.9	E501 K502 E507 L508 V514 L516 L530 F595	E501-L505 HydrophobicContact CG-CD1 3.81Å; E501-L505 WeakPolarHBondContact O-CB 3.41Å; E501-L505 VanDerWaalsContact O-CG 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.35Å; E501-L505 PolarHBondContact O-N 3Å; K502-L505 PolarHBondContact O-N 3.5Å; L505-E507 VanDerWaalsContact C-N 3.32Å; L505-L508 HydrophobicContact CD2-CD1 4.42Å; L505-L508 PolarHBondContact O-N 3.08Å; L505-V514 HydrophobicContact CD2-CG1 4.15Å; L505-L516 HydrophobicContact CB-CB 3.8Å; L505-L516 HydrophobicContact CB-CD2 3.72Å; L505-L516 HydrophobicContact CB-CG 4.41Å; L505-L530 HydrophobicContact CD1-CD2 4.25Å; L505-F595 HydrophobicContact CD2-CB 4.42Å; L505-F595 HydrophobicContact CD2-CD2 3.53Å; L505-F595 HydrophobicContact CD2-CE2 3.9Å; L505-F595 HydrophobicContact CD2-CG 3.95Å; L505-F595 HydrophobicContact CG-CB 4.19Å; L505-F595 HydrophobicContact CG-CD2 4.21Å; L505-F595 HydrophobicContact CG-CG 4.22Å
506	E	92.1	Very high	91.4	Very high	88 Å²	88	27 Å²	27	41%	0.411	13%	0.13	S	C	.	.	H	α-helix	trans	-65.5	-33.4	175.1	-76.1	178.6	151.3	0	0	113	K502 R503 I504 L516	K502-E506 VanDerWaalsContact CE-CD 3.48Å; K502-E506 WeakPolarHBondContact CE-OE1 3.35Å; K502-E506 HydrophobicContact CG-CG 4.39Å; K502-E506 IonicContact NZ-OE1 3.77Å; K502-E506 WeakPolarHBondContact O-CG 3.49Å; K502-E506 PolarHBondContact O-N 3.5Å; R503-E506 PolarHBondContact O-N 3.09Å; I504-E506 PolarHBondContact O-N 3.42Å; E506-L516 HydrophobicContact CG-CD2 3.71Å
507	E	90.6	Very high	92	Very high	98 Å²	98	25.5 Å²	25.5	46%	0.458	12%	0.122	S	C	.	.	H	α-helix	trans	-83.6	-16	-179.7	-67.1	179.3	-168	0	0	113.2	R503 I504 L505 K600	R503-E507 PolarHBondContact O-N 3.27Å; I504-E507 PolarHBondContact O-N 2.9Å; L505-E507 VanDerWaalsContact C-N 3.32Å; E507-K600 IonicContact OE1-NZ 2.71Å; E507-K600 IonicContact OE2-NZ 2.72Å; E507-K600 PolarHBondContact OE2-NZ 2.9Å
508	L	90.8	Very high	92.7	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	13%	0.129	C	C	.	.			trans	-86.4	135.7	-173.2	-59.5	177.3	0	0	0	113.3	I504 L505 I513 Y566 L567 L570 I572 F595	I504-L508 HydrophobicContact CG2-CD1 3.8Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CG 3.32Å; I504-L508 WeakPolarHBondContact O-CG 3.49Å; I504-L508 PolarHBondContact O-N 3.5Å; L505-L508 HydrophobicContact CD2-CD1 4.42Å; L505-L508 PolarHBondContact O-N 3.08Å; L508-I513 HydrophobicContact CD1-CD1 4.35Å; L508-I513 HydrophobicContact CD1-CG2 3.93Å; L508-Y566 HydrophobicContact CB-CE1 4.26Å; L508-Y566 HydrophobicContact CD2-CD1 4.27Å; L508-Y566 HydrophobicContact CD2-CE1 3.66Å; L508-L567 HydrophobicContact CD1-CD2 3.81Å; L508-L567 HydrophobicContact CD2-CD2 3.6Å; L508-L567 HydrophobicContact CG-CD2 4.4Å; L508-L570 HydrophobicContact CD2-CD1 3.82Å; L508-I572 HydrophobicContact CD2-CD1 3.78Å; L508-F595 HydrophobicContact CD1-CD1 4.01Å; L508-F595 HydrophobicContact CD1-CE1 3.48Å; L508-F595 VanDerWaalsContact CD1-CE1 3.48Å; L508-F595 HydrophobicContact CD1-CZ 3.82Å
509	C	88.4	Confident	93	Very high	45 Å²	45	27.7 Å²	27.7	30%	0.304	13%	0.131	S	C	.	.			trans	-144.3	88.8	172.2	-172.8	0	0	0	0	109.7	Y566	C509-Y566 PolarHBondContact N-OH 3.3Å; C509-Y566 WeakPolarHBondContact O-CE2 3.37Å; C509-Y566 VanDerWaalsContact O-CZ 3.29Å; C509-Y566 PolarHBondContact O-OH 3.48Å
510	S	91.3	Very high	93.2	Very high	8 Å²	8	26.9 Å²	26.9	6%	0.056	13%	0.128	C	C	.	.			trans	-140.5	142.5	178.5	174.1	0	0	0	0	110.4	F512 I513	S510-F512 PolarHBondContact O-N 3.32Å; S510-F512 PolarHBondContact OG-N 3.38Å; S510-I513 PolarHBondContact O-N 2.9Å; S510-I513 VanDerWaalsContact O-O 3.1Å
511	P	92.3	Very high	93.6	Very high	22 Å²	22	30 Å²	30	14%	0.143	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20	175.3	22.6	-30.2	0	0	0	113.9	L430 K591	L430-P511 HydrophobicContact CD1-CB 3.76Å; L430-P511 HydrophobicContact CD1-CG 4.07Å; P511-K591 VanDerWaalsContact O-CE 3.24Å; P511-K591 WeakPolarHBondContact O-CE 3.31Å; P511-K591 PolarHBondContact O-NZ 3.37Å
512	F	96.8	Very high	93.6	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	13.7	-177	-51.4	-73	0	0	0	112.9	S510 C559 E562 A563 Y589 K591 L592 L719	S510-F512 PolarHBondContact O-N 3.32Å; S510-F512 PolarHBondContact OG-N 3.38Å; F512-C559 HydrophobicContact CD1-CB 4.05Å; F512-C559 HydrophobicContact CE1-CB 4.47Å; F512-E562 HydrophobicContact CD2-CB 3.51Å; F512-E562 HydrophobicContact CD2-CG 4.47Å; F512-E562 HydrophobicContact CE2-CB 3.47Å; F512-E562 VanDerWaalsContact CE2-CB 3.47Å; F512-E562 HydrophobicContact CE2-CG 3.96Å; F512-E562 HydrophobicContact CG-CB 4.24Å; F512-E562 HydrophobicContact CZ-CB 4.19Å; F512-E562 HydrophobicContact CZ-CG 4.35Å; F512-A563 HydrophobicContact CB-CB 3.88Å; F512-Y589 AromaticContact CE1-CD1 3.94Å; F512-Y589 HydrophobicContact CE1-CD1 3.94Å; F512-Y589 HydrophobicContact CE1-CE1 4.35Å; F512-K591 WeakPolarHBondContact O-CA 3.36Å; F512-L592 PolarHBondContact O-N 3.06Å; F512-L719 HydrophobicContact CE1-CD2 4.43Å; F512-L719 HydrophobicContact CE1-CG 4.15Å; F512-L719 HydrophobicContact CZ-CD2 4.3Å; F512-L719 HydrophobicContact CZ-CG 4.04Å
513	I	97.1	Very high	93.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-134.6	139.2	179.1	-59.5	177	0	0	0	108.2	L508 S510 K515 A563 Y566 L567 L592 F595	L508-I513 HydrophobicContact CD1-CD1 4.35Å; L508-I513 HydrophobicContact CD1-CG2 3.93Å; S510-I513 PolarHBondContact O-N 2.9Å; S510-I513 VanDerWaalsContact O-O 3.1Å; I513-K515 PolarHBondContact O-N 3.09Å; I513-A563 HydrophobicContact CG1-CB 4.14Å; I513-Y566 HydrophobicContact CD1-CD1 3.67Å; I513-Y566 HydrophobicContact CD1-CE1 4.28Å; I513-L567 HydrophobicContact CD1-CD1 4.2Å; I513-L567 HydrophobicContact CD1-CD2 3.8Å; I513-L567 HydrophobicContact CD1-CG 3.77Å; I513-L592 HydrophobicContact CG1-CB 4.48Å; I513-F595 HydrophobicContact CD1-CZ 4.45Å; I513-F595 HydrophobicContact CG1-CZ 4.5Å; I513-F595 HydrophobicContact CG2-CE1 4.43Å; I513-F595 HydrophobicContact CG2-CE2 3.69Å; I513-F595 HydrophobicContact CG2-CZ 3.4Å
514	V	96.3	Very high	93.6	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.048	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-61.1	134.6	175.9	69.7	0	0	0	0	111.3	L505 L530 E531 L592 V593 F595	L505-V514 HydrophobicContact CD2-CG1 4.15Å; V514-L530 HydrophobicContact CG2-CB 4.13Å; V514-E531 HydrophobicContact CG2-CB 3.98Å; V514-L592 WeakPolarHBondContact CG1-O 2.97Å; V514-L592 PolarHBondContact N-O 3.07Å; V514-V593 HydrophobicContact CB-CG1 3.93Å; V514-V593 HydrophobicContact CG1-CB 4.34Å; V514-V593 HydrophobicContact CG1-CG1 4.07Å; V514-V593 HydrophobicContact CG2-CG1 4.38Å; V514-F595 HydrophobicContact CG1-CE2 4.49Å
515	K	94.4	Very high	93.7	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.022	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-85	141	178.1	-62	170	-178.4	171.6	0	111.3	M434 I513 Y517 L530 E531	M434-K515 HydrophobicContact CB-CD 4.39Å; M434-K515 HydrophobicContact CG-CD 4.25Å; M434-K515 HydrophobicContact SD-CD 4Å; M434-K515 HydrophobicContact SD-CG 4.29Å; I513-K515 PolarHBondContact O-N 3.09Å; K515-Y517 HydrophobicContact CB-CE1 4.48Å; K515-Y517 HydrophobicContact CB-CE2 4.46Å; K515-L530 CarbonylContact O-C 3.55Å; K515-L530 VanDerWaalsContact O-CA 3.25Å; K515-L530 WeakPolarHBondContact O-CA 3.49Å; K515-E531 HydrophobicContact CB-CB 4.18Å; K515-E531 PolarHBondContact N-OE2 3.41Å; K515-E531 PolarHBondContact O-N 3.49Å
516	L	95.3	Very high	93.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.8	164.7	175.5	64.8	0	0	0	110.3	K438 K502 L505 E506 T519 M528 L530	K438-L516 WeakPolarHBondContact CE-O 3.44Å; K502-L516 HydrophobicContact CG-CD2 4.5Å; L505-L516 HydrophobicContact CB-CB 3.8Å; L505-L516 HydrophobicContact CB-CD2 3.72Å; L505-L516 HydrophobicContact CB-CG 4.41Å; E506-L516 HydrophobicContact CG-CD2 3.71Å; L516-T519 HydrophobicContact CD1-CG2 4.21Å; L516-T519 HydrophobicContact CD2-CG2 4.37Å; L516-M528 HydrophobicContact CD1-CB 3.93Å; L516-L530 HydrophobicContact CB-CD2 3.97Å; L516-L530 HydrophobicContact CD1-CD2 3.71Å; L516-L530 HydrophobicContact CG-CD2 4.44Å
517	Y	94.3	Very high	93.9	Very high	20 Å²	20	29 Å²	29	8%	0.078	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-46.6	-179.7	-64.3	-71.3	0	0	0	112.5	M434 L437 K438 F479 K515 L529 E531	M434-Y517 HydrophobicContact CG-CE1 4.36Å; L437-Y517 HydrophobicContact CB-CD1 3.86Å; L437-Y517 HydrophobicContact CB-CE1 3.6Å; L437-Y517 HydrophobicContact CD1-CE1 3.88Å; L437-Y517 WeakPolarHBondContact CD1-OH 3.47Å; L437-Y517 HydrophobicContact CG-CE1 4.41Å; K438-Y517 HydrophobicContact CG-CD1 3.92Å; F479-Y517 AromaticContact CD1-CD2 3.56Å; F479-Y517 HydrophobicContact CD1-CD2 3.56Å; F479-Y517 AromaticContact CD1-CE2 3.73Å; F479-Y517 HydrophobicContact CD1-CE2 3.73Å; F479-Y517 HydrophobicContact CD1-CG 4.41Å; F479-Y517 AromaticContact CE1-CD2 3.56Å; F479-Y517 HydrophobicContact CE1-CD2 3.56Å; F479-Y517 AromaticContact CE1-CE2 3.71Å; F479-Y517 HydrophobicContact CE1-CE2 3.71Å; F479-Y517 HydrophobicContact CE1-CG 4.05Å; K515-Y517 HydrophobicContact CB-CE1 4.48Å; K515-Y517 HydrophobicContact CB-CE2 4.46Å; Y517-L529 PolarHBondContact N-O 3.2Å; Y517-E531 HydrophobicContact CE2-CB 4Å
518	R	93.5	Very high	94.1	Very high	54 Å²	54	24.3 Å²	24.3	20%	0.204	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158	-176.2	-170.5	163.6	-176	-168.9	2.7	110.8	V441 A442 F444 S446 F520 L529	V441-R518 HydrophobicContact CB-CB 4.46Å; V441-R518 HydrophobicContact CG2-CB 3.72Å; V441-R518 WeakPolarHBondContact O-CD 3.38Å; V441-R518 PolarHBondContact O-NH1 3.2Å; A442-R518 PolarHBondContact O-NH1 3.09Å; F444-R518 PolarHBondContact O-NH1 3.41Å; S446-R518 PolarHBondContact OG-NH2 2.91Å; R518-F520 HydrophobicContact CB-CZ 4.21Å; R518-F520 HydrophobicContact CG-CD1 4.4Å; R518-F520 HydrophobicContact CG-CE1 3.81Å; R518-F520 HydrophobicContact CG-CZ 3.98Å; R518-L529 WeakPolarHBondContact O-CB 3.36Å; R518-L529 PolarHBondContact O-N 3.02Å
519	T	95.4	Very high	94.4	Very high	12 Å²	12	24.1 Å²	24.1	7%	0.074	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.3	169.4	42.4	0	0	0	0	110.7	K502 L516 Y527 M528 F762	K502-T519 HydrophobicContact CD-CG2 4.02Å; K502-T519 WeakPolarHBondContact CE-OG1 3.33Å; K502-T519 HydrophobicContact CG-CG2 4.13Å; K502-T519 PolarHBondContact NZ-OG1 2.94Å; L516-T519 HydrophobicContact CD1-CG2 4.21Å; L516-T519 HydrophobicContact CD2-CG2 4.37Å; T519-Y527 CarbonylContact C-O 3.55Å; T519-Y527 WeakPolarHBondContact CA-O 3.09Å; T519-Y527 WeakPolarHBondContact CB-O 3.41Å; T519-M528 HydrophobicContact CG2-CB 4.46Å; T519-M528 HydrophobicContact CG2-CG 4Å; T519-F762 VanDerWaalsContact CB-OXT 3.32Å; T519-F762 WeakPolarHBondContact CB-OXT 3.19Å; T519-F762 HydrophobicContact CG2-CD1 4.09Å; T519-F762 HydrophobicContact CG2-CE1 4.22Å; T519-F762 PolarHBondContact OG1-OXT 3.42Å; T519-F762 VanDerWaalsContact OG1-OXT 3.1Å
520	F	94.5	Very high	94.8	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	170.4	174.7	-43.5	-78.1	0	0	0	109.8	F444 P449 F450 R518 Y527 L529 F762	F444-F520 HydrophobicContact CD2-CZ 4.32Å; P449-F520 HydrophobicContact CB-CD1 3.48Å; P449-F520 VanDerWaalsContact CB-CD1 3.48Å; P449-F520 HydrophobicContact CB-CE1 3.49Å; P449-F520 VanDerWaalsContact CB-CE1 3.49Å; P449-F520 HydrophobicContact CB-CG 4.22Å; P449-F520 HydrophobicContact CB-CZ 4.25Å; P449-F520 HydrophobicContact CG-CB 4.29Å; P449-F520 HydrophobicContact CG-CD1 3.67Å; P449-F520 HydrophobicContact CG-CE1 4.22Å; P449-F520 HydrophobicContact CG-CG 4.1Å; F450-F520 HydrophobicContact CE1-CB 4.43Å; F450-F520 HydrophobicContact CE1-CD2 4.22Å; F450-F520 HydrophobicContact CE1-CG 4.47Å; F450-F520 HydrophobicContact CZ-CB 4Å; F450-F520 HydrophobicContact CZ-CG 4.48Å; R518-F520 HydrophobicContact CB-CZ 4.21Å; R518-F520 HydrophobicContact CG-CD1 4.4Å; R518-F520 HydrophobicContact CG-CE1 3.81Å; R518-F520 HydrophobicContact CG-CZ 3.98Å; F520-Y527 HydrophobicContact CB-CD2 4.13Å; F520-Y527 HydrophobicContact CB-CG 4.44Å; F520-Y527 PolarHBondContact N-O 3.02Å; F520-Y527 PolarHBondContact O-N 2.83Å; F520-L529 HydrophobicContact CE2-CB 3.88Å; F520-L529 HydrophobicContact CE2-CD1 4.44Å; F520-L529 HydrophobicContact CE2-CD2 4Å; F520-L529 HydrophobicContact CE2-CG 4.34Å; F520-L529 HydrophobicContact CZ-CD2 4.08Å; F520-F762 PolarHBondContact N-OXT 2.85Å
521	K	94.4	Very high	95	Very high	82 Å²	82	24 Å²	24	36%	0.357	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	161.4	171	62.5	173.6	172.7	-178.3	0	112.5	Y525 V526 D759 K760 F762	K521-Y525 WeakPolarHBondContact CA-O 3.29Å; K521-V526 HydrophobicContact CB-CG1 4.26Å; K521-D759 HydrophobicContact CD-CB 4.44Å; K521-D759 VanDerWaalsContact CD-O 3.25Å; K521-D759 WeakPolarHBondContact CD-O 3.23Å; K521-D759 WeakPolarHBondContact CD-OD2 3.38Å; K521-D759 PolarHBondContact NZ-O 3.5Å; K521-K760 VanDerWaalsContact NZ-CA 3.27Å; K521-K760 PolarHBondContact NZ-O 3Å; K521-F762 HydrophobicContact CB-CB 4.17Å; K521-F762 HydrophobicContact CD-CB 4.34Å
522	D	92.7	Very high	95.2	Very high	54 Å²	54	24.1 Å²	24.1	29%	0.289	12%	0.117	S	C	.	.			trans	-139.7	-164.6	162.4	63.5	33.8	0	0	0	110.1	K486 K524 Y525 Y527	K486-D522 WeakPolarHBondContact CD-O 3.5Å; K486-D522 PolarHBondContact NZ-O 3.31Å; D522-K524 PolarHBondContact O-N 3.02Å; D522-K524 WeakPolarHBondContact OD1-CA 2.82Å; D522-K524 WeakPolarHBondContact OD1-CB 3.03Å; D522-K524 PolarHBondContact OD1-N 2.8Å; D522-Y525 PolarHBondContact N-O 2.53Å; D522-Y525 PolarHBondContact OD1-N 3.32Å; D522-Y527 HydrophobicContact CB-CE2 4.48Å; D522-Y527 WeakPolarHBondContact OD2-CE2 3.35Å; D522-Y527 PolarHBondContact OD2-OH 2.71Å
523	N	94.4	Very high	95.1	Very high	86 Å²	86	24.2 Å²	24.2	46%	0.46	12%	0.118	S	C	.	.	S	Bend	trans	-66.7	-14.1	-179.9	-67.7	1.5	0	0	0	113.7	D753 E754 L755	N523-D753 HydrophobicContact CB-CB 4.27Å; N523-D753 PolarHBondContact ND2-OD2 2.72Å; N523-D753 CarbonylContact O-C 3.54Å; N523-D753 WeakPolarHBondContact O-CA 3.26Å; N523-E754 PolarHBondContact O-N 2.97Å; N523-L755 HydrophobicContact CB-CD2 3.81Å
524	K	93.1	Very high	95.1	Very high	39 Å²	39	24.5 Å²	24.5	17%	0.17	12%	0.12	C	C	.	.	S	Bend	trans	-123.3	-32.9	-168	-62.2	176.5	-173.9	-64.6	0	113.2	K486 D522 M750 P751 D753	K486-K524 WeakPolarHBondContact CB-O 2.95Å; K486-K524 WeakPolarHBondContact CG-O 3.17Å; K486-K524 PolarHBondContact N-O 3.32Å; D522-K524 PolarHBondContact O-N 3.02Å; D522-K524 WeakPolarHBondContact OD1-CA 2.82Å; D522-K524 WeakPolarHBondContact OD1-CB 3.03Å; D522-K524 PolarHBondContact OD1-N 2.8Å; K524-M750 HydrophobicContact CD-CE 4.2Å; K524-M750 VanDerWaalsContact CE-CE 3.43Å; K524-P751 WeakPolarHBondContact CD-O 3.37Å; K524-P751 PolarHBondContact NZ-O 3.08Å; K524-D753 VanDerWaalsContact CE-OD1 3.29Å; K524-D753 WeakPolarHBondContact CE-OD1 3.05Å; K524-D753 WeakPolarHBondContact CG-OD1 3.46Å; K524-D753 IonicContact NZ-OD1 3.94Å; K524-D753 PolarHBondContact NZ-OD1 3.47Å
525	Y	94.3	Very high	95	Very high	28 Å²	28	24.2 Å²	24.2	11%	0.11	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.7	-172.8	-60.1	-93.2	0	0	0	112.2	C483 I484 R485 K521 D522 Y527 E747 P751	C483-Y525 HydrophobicContact CB-CD1 4.34Å; I484-Y525 WeakPolarHBondContact O-CA 3.23Å; R485-Y525 HydrophobicContact CG-CD1 4.04Å; R485-Y525 HydrophobicContact CG-CE1 3.59Å; K521-Y525 WeakPolarHBondContact CA-O 3.29Å; D522-Y525 PolarHBondContact N-O 2.53Å; D522-Y525 PolarHBondContact OD1-N 3.32Å; Y525-Y527 VanDerWaalsContact CB-CZ 3.41Å; Y525-Y527 WeakPolarHBondContact CD2-OH 3.27Å; Y525-Y527 HydrophobicContact CG-CE1 4.41Å; Y525-E747 VanDerWaalsContact OH-CD 3.3Å; Y525-E747 PolarHBondContact OH-OE1 2.9Å; Y525-E747 VanDerWaalsContact OH-OE1 3.13Å; Y525-E747 PolarHBondContact OH-OE2 2.6Å; Y525-E747 VanDerWaalsContact OH-OE2 3.07Å; Y525-P751 HydrophobicContact CE1-CG 4.05Å; Y525-P751 HydrophobicContact CE2-CG 4.01Å; Y525-P751 VanDerWaalsContact CZ-CG 3.49Å; Y525-P751 WeakPolarHBondContact OH-CD 3.01Å; Y525-P751 WeakPolarHBondContact OH-CG 3.4Å
526	V	95.6	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.4	154.5	-61.6	0	0	0	0	108.8	I484 K486 V498 K521 W758 D759 F762	I484-V526 HydrophobicContact CB-CG2 3.77Å; I484-V526 HydrophobicContact CD1-CG2 4.32Å; I484-V526 HydrophobicContact CG2-CG2 4.18Å; I484-V526 PolarHBondContact N-O 2.79Å; I484-V526 PolarHBondContact O-N 2.92Å; K486-V526 HydrophobicContact CD-CG1 4.4Å; K486-V526 HydrophobicContact CG-CG1 4.11Å; V498-V526 HydrophobicContact CG1-CG2 3.95Å; K521-V526 HydrophobicContact CB-CG1 4.26Å; V526-W758 HydrophobicContact CG1-CH2 4.32Å; V526-W758 HydrophobicContact CG1-CZ2 4.33Å; V526-W758 HydrophobicContact CG2-CH2 4.33Å; V526-D759 HydrophobicContact CG1-CB 3.58Å; V526-F762 HydrophobicContact CB-CD1 3.7Å; V526-F762 HydrophobicContact CB-CE1 4.09Å; V526-F762 HydrophobicContact CB-CG 4.02Å; V526-F762 HydrophobicContact CG1-CB 4.16Å; V526-F762 HydrophobicContact CG1-CD1 4.08Å; V526-F762 HydrophobicContact CG1-CD2 4.16Å; V526-F762 HydrophobicContact CG1-CG 3.85Å; V526-F762 HydrophobicContact CG2-CD1 4.28Å; V526-F762 HydrophobicContact CG2-CE1 4.15Å
527	Y	95.6	Very high	94.9	Very high	22 Å²	22	24.6 Å²	24.6	9%	0.086	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.7	-172.1	-55.6	-95.3	0	0	0	110.5	F450 M481 K482 C483 T519 F520 D522 Y525	F450-Y527 HydrophobicContact CE1-CD1 4.08Å; F450-Y527 HydrophobicContact CE1-CD2 4.17Å; F450-Y527 HydrophobicContact CE1-CE1 4.17Å; F450-Y527 HydrophobicContact CE1-CE2 4.24Å; F450-Y527 HydrophobicContact CE1-CG 4.06Å; F450-Y527 HydrophobicContact CE2-CD2 4.48Å; F450-Y527 HydrophobicContact CE2-CE2 4.01Å; F450-Y527 HydrophobicContact CZ-CD1 4.16Å; F450-Y527 AromaticContact CZ-CD2 3.5Å; F450-Y527 HydrophobicContact CZ-CD2 3.5Å; F450-Y527 HydrophobicContact CZ-CE1 4.07Å; F450-Y527 AromaticContact CZ-CE2 3.38Å; F450-Y527 HydrophobicContact CZ-CE2 3.38Å; F450-Y527 AromaticContact CZ-CG 3.88Å; F450-Y527 HydrophobicContact CZ-CG 3.88Å; F450-Y527 AromaticContact CZ-CZ 3.67Å; M481-Y527 HydrophobicContact CE-CD1 4.19Å; M481-Y527 HydrophobicContact CE-CE1 4.39Å; M481-Y527 HydrophobicContact CG-CD1 4.12Å; M481-Y527 HydrophobicContact SD-CD1 3.97Å; K482-Y527 CarbonylContact O-C 3.44Å; K482-Y527 VanDerWaalsContact O-CA 3.29Å; K482-Y527 WeakPolarHBondContact O-CA 3.31Å; C483-Y527 HydrophobicContact CB-CD1 4.07Å; C483-Y527 HydrophobicContact CB-CE1 4.09Å; T519-Y527 CarbonylContact C-O 3.55Å; T519-Y527 WeakPolarHBondContact CA-O 3.09Å; T519-Y527 WeakPolarHBondContact CB-O 3.41Å; F520-Y527 HydrophobicContact CB-CD2 4.13Å; F520-Y527 HydrophobicContact CB-CG 4.44Å; F520-Y527 PolarHBondContact N-O 3.02Å; F520-Y527 PolarHBondContact O-N 2.83Å; D522-Y527 HydrophobicContact CB-CE2 4.48Å; D522-Y527 WeakPolarHBondContact OD2-CE2 3.35Å; D522-Y527 PolarHBondContact OD2-OH 2.71Å; Y525-Y527 VanDerWaalsContact CB-CZ 3.41Å; Y525-Y527 WeakPolarHBondContact CD2-OH 3.27Å; Y525-Y527 HydrophobicContact CG-CE1 4.41Å
528	M	96.6	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.1	170.5	-60.2	173.2	177.6	0	0	108.9	M481 K482 I484 V498 E501 K502 L516 T519 L530 F762	M481-M528 WeakPolarHBondContact CA-O 3.32Å; K482-M528 HydrophobicContact CB-CB 4.22Å; K482-M528 HydrophobicContact CD-SD 4.26Å; K482-M528 PolarHBondContact N-O 3.05Å; K482-M528 PolarHBondContact O-N 3.35Å; I484-M528 HydrophobicContact CD1-CE 4.09Å; I484-M528 HydrophobicContact CD1-SD 4.3Å; V498-M528 HydrophobicContact CG1-CE 3.92Å; V498-M528 WeakPolarHBondContact O-CE 3.39Å; E501-M528 HydrophobicContact CB-CE 4.4Å; E501-M528 HydrophobicContact CG-CE 4.14Å; E501-M528 HydrophobicContact CG-SD 4.29Å; K502-M528 HydrophobicContact CB-CE 4.05Å; L516-M528 HydrophobicContact CD1-CB 3.93Å; T519-M528 HydrophobicContact CG2-CB 4.46Å; T519-M528 HydrophobicContact CG2-CG 4Å; M528-L530 HydrophobicContact CB-CD2 4.37Å; M528-L530 HydrophobicContact CB-CG 4.32Å; M528-F762 HydrophobicContact CE-CE1 3.98Å; M528-F762 HydrophobicContact CE-CZ 4.29Å
529	L	96.9	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.1	178.5	-166.3	71.6	0	0	0	109.6	V441 L453 V470 F479 M481 Y517 R518 F520	V441-L529 HydrophobicContact CB-CD2 4.08Å; V441-L529 HydrophobicContact CG1-CD2 3.63Å; L453-L529 HydrophobicContact CD1-CD1 4.37Å; V470-L529 HydrophobicContact CG2-CD1 3.83Å; F479-L529 HydrophobicContact CB-CD1 3.52Å; F479-L529 HydrophobicContact CB-CG 3.92Å; F479-L529 HydrophobicContact CD1-CD2 4.43Å; F479-L529 HydrophobicContact CD1-CG 4.23Å; F479-L529 HydrophobicContact CD2-CD1 4.31Å; F479-L529 HydrophobicContact CD2-CD2 4.24Å; F479-L529 HydrophobicContact CD2-CG 4.44Å; F479-L529 HydrophobicContact CG-CD1 3.97Å; F479-L529 HydrophobicContact CG-CD2 4.19Å; F479-L529 HydrophobicContact CG-CG 3.96Å; M481-L529 HydrophobicContact CB-CD1 4.22Å; M481-L529 HydrophobicContact CG-CD1 4.46Å; Y517-L529 PolarHBondContact N-O 3.2Å; R518-L529 WeakPolarHBondContact O-CB 3.36Å; R518-L529 PolarHBondContact O-N 3.02Å; F520-L529 HydrophobicContact CE2-CB 3.88Å; F520-L529 HydrophobicContact CE2-CD1 4.44Å; F520-L529 HydrophobicContact CE2-CD2 4Å; F520-L529 HydrophobicContact CE2-CG 4.34Å; F520-L529 HydrophobicContact CZ-CD2 4.08Å
530	L	96.6	Very high	94.9	Very high	18 Å²	18	22 Å²	22	9%	0.094	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	165.2	-170.6	-56.8	169.8	0	0	0	111.7	F479 A480 K482 L505 V514 K515 L516 M528 A532	F479-L530 WeakPolarHBondContact CB-O 3.26Å; A480-L530 HydrophobicContact CB-CB 4.36Å; A480-L530 PolarHBondContact N-O 3.16Å; A480-L530 WeakPolarHBondContact O-CA 3.42Å; A480-L530 WeakPolarHBondContact O-CB 3.35Å; A480-L530 PolarHBondContact O-N 3.24Å; K482-L530 HydrophobicContact CB-CD1 4.18Å; L505-L530 HydrophobicContact CD1-CD2 4.25Å; V514-L530 HydrophobicContact CG2-CB 4.13Å; K515-L530 CarbonylContact O-C 3.55Å; K515-L530 VanDerWaalsContact O-CA 3.25Å; K515-L530 WeakPolarHBondContact O-CA 3.49Å; L516-L530 HydrophobicContact CB-CD2 3.97Å; L516-L530 HydrophobicContact CD1-CD2 3.71Å; L516-L530 HydrophobicContact CG-CD2 4.44Å; M528-L530 HydrophobicContact CB-CD2 4.37Å; M528-L530 HydrophobicContact CB-CG 4.32Å; L530-A532 PolarHBondContact O-N 3.5Å
531	E	95.4	Very high	94.9	Very high	32 Å²	32	22.2 Å²	22.2	15%	0.15	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.6	167	-179.5	178.8	-153.3	0	0	112.4	V514 K515 Y517 C533 K591	V514-E531 HydrophobicContact CG2-CB 3.98Å; K515-E531 HydrophobicContact CB-CB 4.18Å; K515-E531 PolarHBondContact N-OE2 3.41Å; K515-E531 PolarHBondContact O-N 3.49Å; Y517-E531 HydrophobicContact CE2-CB 4Å; E531-C533 PolarHBondContact O-N 2.93Å; E531-K591 IonicContact OE1-NZ 2.91Å; E531-K591 PolarHBondContact OE1-NZ 2.85Å; E531-K591 IonicContact OE2-NZ 2.83Å; E531-K591 PolarHBondContact OE2-NZ 3.3Å
532	A	95.6	Very high	95	Very high	26 Å²	26	18.5 Å²	18.5	22%	0.215	10%	0.096	C	C	.	.			trans	-80	103.6	174.1	0	0	0	0	0	110.4	L469 L530 L534	L469-A532 HydrophobicContact CD1-CB 4.23Å; L530-A532 PolarHBondContact O-N 3.5Å; A532-L534 HydrophobicContact CB-CD2 4.47Å; A532-L534 HydrophobicContact CB-CG 4.39Å
533	C	95.8	Very high	95	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.054	10%	0.102	C	C	.	.			trans	-98.2	101.6	173.9	-59.7	0	0	0	0	108.8	E531 I583 L584 F741	E531-C533 PolarHBondContact O-N 2.93Å; C533-I583 HydrophobicContact CB-CB 4.23Å; C533-I583 HydrophobicContact CB-CG2 3.49Å; C533-I583 VanDerWaalsContact CB-CG2 3.49Å; C533-I583 VanDerWaalsContact O-CG2 3.31Å; C533-I583 WeakPolarHBondContact O-CG2 3.46Å; C533-L584 CarbonylContact C-O 3.51Å; C533-L584 VanDerWaalsContact C-O 3.29Å; C533-L584 WeakPolarHBondContact CB-O 3.46Å; C533-F741 WeakPolarHBondContact O-CZ 3.38Å
534	L	95.7	Very high	94.9	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.047	11%	0.109	C	C	.	.			trans	-98	0.6	-166.2	-63.7	178.6	0	0	0	115.3	L459 L469 A532 G536 L584 L732 P735 F741	L459-L534 HydrophobicContact CD1-CD2 4.47Å; L459-L534 HydrophobicContact CD2-CD2 4.34Å; L469-L534 HydrophobicContact CD1-CD2 4.08Å; L469-L534 HydrophobicContact CD2-CD2 4.29Å; A532-L534 HydrophobicContact CB-CD2 4.47Å; A532-L534 HydrophobicContact CB-CG 4.39Å; L534-G536 PolarHBondContact O-N 3.3Å; L534-L584 PolarHBondContact N-O 3.37Å; L534-L732 HydrophobicContact CB-CD1 3.99Å; L534-L732 HydrophobicContact CB-CD2 4.25Å; L534-P735 WeakPolarHBondContact CD1-O 3.38Å; L534-F741 HydrophobicContact CD2-CE2 4.22Å
535	G	95.3	Very high	94.9	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	13%	0.126	C	C	.	.	S	Bend	trans	-70.7	-9.3	178.3	0	0	0	0	0	114.4	L584 R730	G535-L584 WeakPolarHBondContact CA-O 3.24Å; G535-L584 PolarHBondContact N-O 2.83Å; G535-R730 PolarHBondContact O-NH1 3.02Å
536	G	93.9	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94	171.1	178.2	0	0	0	0	0	113.9	L534 L584	L534-G536 PolarHBondContact O-N 3.3Å; G536-L584 PolarHBondContact O-N 3.38Å
537	E	93.8	Very high	95	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.075	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	136	178.8	-61.9	176	-172.3	0	0	110.9	R118 W539 S540 I541 I583	R118-E537 IonicContact CZ-OE1 2.7Å; R118-E537 IonicContact CZ-OE2 3.82Å; R118-E537 IonicContact NH1-OE1 3.2Å; R118-E537 PolarHBondContact NH1-OE1 2.95Å; R118-E537 IonicContact NH1-OE2 2.71Å; R118-E537 PolarHBondContact NH1-OE2 3.09Å; R118-E537 IonicContact NH2-OE1 3.21Å; R118-E537 PolarHBondContact NH2-OE1 3.03Å; E537-W539 PolarHBondContact O-N 3.03Å; E537-S540 PolarHBondContact O-N 3.05Å; E537-I541 PolarHBondContact O-N 3.12Å; E537-I583 HydrophobicContact CG-CD1 4.47Å; E537-I583 HydrophobicContact CG-CG1 4.39Å
538	L	96.6	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-34.7	176.4	-171.2	63.8	0	0	0	111.4	S540 I541 L542 F548 L582 L590 L643 L728	L538-S540 PolarHBondContact O-N 3.22Å; L538-I541 PolarHBondContact O-N 2.95Å; L538-L542 WeakPolarHBondContact O-CB 3.47Å; L538-L542 PolarHBondContact O-N 3.25Å; L538-F548 HydrophobicContact CD1-CE2 3.6Å; L538-F548 HydrophobicContact CD1-CZ 3.87Å; L538-F548 HydrophobicContact CG-CE2 4.24Å; L538-L582 HydrophobicContact CB-CB 3.84Å; L538-L582 WeakPolarHBondContact CB-O 3.12Å; L538-L582 HydrophobicContact CD2-CB 3.97Å; L538-L582 HydrophobicContact CD2-CD1 3.62Å; L538-L582 HydrophobicContact CD2-CG 4.44Å; L538-L582 PolarHBondContact N-O 3.26Å; L538-L590 HydrophobicContact CB-CD2 4.15Å; L538-L590 HydrophobicContact CD1-CD2 4.08Å; L538-L590 HydrophobicContact CD2-CD1 3.76Å; L538-L590 HydrophobicContact CD2-CD2 4.19Å; L538-L590 HydrophobicContact CG-CD2 4.37Å; L538-L643 HydrophobicContact CD2-CD2 3.96Å; L538-L728 HydrophobicContact CD1-CD1 3.77Å
539	W	94.1	Very high	95.2	Very high	19 Å²	19	32.8 Å²	32.8	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-54.9	-49.9	175.1	177.5	80.9	0	0	0	112.8	A121 E537 I541 L542 R543 P579 E580	A121-W539 HydrophobicContact CB-CH2 4.23Å; A121-W539 HydrophobicContact CB-CZ2 4.07Å; E537-W539 PolarHBondContact O-N 3.03Å; W539-I541 VanDerWaalsContact C-N 3.29Å; W539-I541 PolarHBondContact O-N 3.21Å; W539-L542 PolarHBondContact O-N 3.39Å; W539-R543 VanDerWaalsContact CH2-NH1 3.27Å; W539-R543 WeakPolarHBondContact O-CB 3.32Å; W539-R543 PolarHBondContact O-N 2.85Å; W539-P579 HydrophobicContact CB-CB 3.82Å; W539-P579 PolarHBondContact N-O 3.13Å; W539-E580 HydrophobicContact CB-CB 4.49Å; W539-E580 HydrophobicContact CB-CG 3.91Å; W539-E580 HydrophobicContact CD2-CG 4.36Å; W539-E580 HydrophobicContact CG-CG 3.78Å
540	S	91.8	Very high	95.2	Very high	13 Å²	13	35.1 Å²	35.1	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-41.9	179.7	-63.3	0	0	0	0	111.1	E537 L538 R543 D544	E537-S540 PolarHBondContact O-N 3.05Å; L538-S540 PolarHBondContact O-N 3.22Å; S540-R543 PolarHBondContact O-N 3.28Å; S540-D544 WeakPolarHBondContact O-CB 3.44Å; S540-D544 PolarHBondContact O-N 3.49Å
541	I	95.1	Very high	95.2	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-42.4	179	-58.6	170.3	0	0	0	111	E537 L538 W539 D544 R545 F548 L584 L728	E537-I541 PolarHBondContact O-N 3.12Å; L538-I541 PolarHBondContact O-N 2.95Å; W539-I541 VanDerWaalsContact C-N 3.29Å; W539-I541 PolarHBondContact O-N 3.21Å; I541-D544 PolarHBondContact O-N 3.31Å; I541-R545 HydrophobicContact CG2-CG 4.49Å; I541-R545 WeakPolarHBondContact O-CB 3.49Å; I541-R545 WeakPolarHBondContact O-CG 3.49Å; I541-R545 PolarHBondContact O-N 3.49Å; I541-F548 HydrophobicContact CB-CZ 4.29Å; I541-F548 HydrophobicContact CG2-CE1 3.91Å; I541-F548 HydrophobicContact CG2-CZ 3.83Å; I541-L584 HydrophobicContact CD1-CD1 3.21Å; I541-L584 HydrophobicContact CD1-CG 4.42Å; I541-L728 HydrophobicContact CG2-CD2 4.37Å
542	L	96	Very high	95.3	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-46.2	177.5	-178.4	64.5	0	0	0	111.1	L538 W539 D544 R545 G546 F548 P579 E642 L643	L538-L542 WeakPolarHBondContact O-CB 3.47Å; L538-L542 PolarHBondContact O-N 3.25Å; W539-L542 PolarHBondContact O-N 3.39Å; L542-D544 PolarHBondContact O-N 3.49Å; L542-R545 PolarHBondContact O-N 3.38Å; L542-G546 CarbonylContact O-C 3.51Å; L542-G546 VanDerWaalsContact O-C 3.29Å; L542-G546 VanDerWaalsContact O-CA 3.3Å; L542-G546 WeakPolarHBondContact O-CA 3.29Å; L542-G546 PolarHBondContact O-N 3.18Å; L542-F548 HydrophobicContact CB-CE1 4.27Å; L542-F548 HydrophobicContact CB-CE2 4.47Å; L542-F548 HydrophobicContact CB-CZ 3.93Å; L542-F548 HydrophobicContact CD1-CD1 4.02Å; L542-F548 HydrophobicContact CD1-CD2 4.2Å; L542-F548 HydrophobicContact CD1-CE1 4Å; L542-F548 HydrophobicContact CD1-CE2 4.19Å; L542-F548 HydrophobicContact CD1-CG 4.11Å; L542-F548 HydrophobicContact CD1-CZ 4.09Å; L542-P579 HydrophobicContact CD2-CG 4.16Å; L542-E642 HydrophobicContact CD2-CG 3.85Å; L542-L643 HydrophobicContact CD2-CD2 4.37Å
543	R	92.6	Very high	95.5	Very high	108 Å²	108	35.7 Å²	35.7	41%	0.408	19%	0.188	S	C	.	.	H	α-helix	trans	-57.1	-48.8	176.1	179.2	-164.1	68.7	-159.4	-0.6	111.2	W539 S540 R545 G546	W539-R543 VanDerWaalsContact CH2-NH1 3.27Å; W539-R543 WeakPolarHBondContact O-CB 3.32Å; W539-R543 PolarHBondContact O-N 2.85Å; S540-R543 PolarHBondContact O-N 3.28Å; R543-R545 PolarHBondContact O-N 2.66Å; R543-G546 PolarHBondContact O-N 2.66Å
544	D	91.9	Very high	95.6	Very high	114 Å²	114	37.4 Å²	37.4	61%	0.61	19%	0.194	S	C	*	.	H	α-helix	trans	-70.8	-32.2	-175.3	-63.3	-8.5	0	0	0	112	S540 I541 L542	S540-D544 WeakPolarHBondContact O-CB 3.44Å; S540-D544 PolarHBondContact O-N 3.49Å; I541-D544 PolarHBondContact O-N 3.31Å; L542-D544 PolarHBondContact O-N 3.49Å
545	R	94.8	Very high	95.7	Very high	137 Å²	137	37.1 Å²	37.1	52%	0.517	19%	0.193	S	C	.	.	H	α-helix	trans	-85.2	-10.1	173.5	-64	-169.3	-171.5	-175.5	0.2	113.5	I541 L542 R543 S547 F548	I541-R545 HydrophobicContact CG2-CG 4.49Å; I541-R545 WeakPolarHBondContact O-CB 3.49Å; I541-R545 WeakPolarHBondContact O-CG 3.49Å; I541-R545 PolarHBondContact O-N 3.49Å; L542-R545 PolarHBondContact O-N 3.38Å; R543-R545 PolarHBondContact O-N 2.66Å; R545-S547 PolarHBondContact O-N 2.84Å; R545-F548 HydrophobicContact CB-CD1 4.34Å; R545-F548 HydrophobicContact CB-CE1 4.18Å; R545-F548 HydrophobicContact CG-CE1 4.36Å
546	G	95.1	Very high	95.9	Very high	40 Å²	40	37 Å²	37	41%	0.412	19%	0.192	S	C	.	.	S	Bend	trans	70.6	-46.6	-169.3	0	0	0	0	0	113.8	L542 R543 G646	L542-G546 CarbonylContact O-C 3.51Å; L542-G546 VanDerWaalsContact O-C 3.29Å; L542-G546 VanDerWaalsContact O-CA 3.3Å; L542-G546 WeakPolarHBondContact O-CA 3.29Å; L542-G546 PolarHBondContact O-N 3.18Å; R543-G546 PolarHBondContact O-N 2.66Å; G546-G646 WeakPolarHBondContact O-CA 3.04Å
547	S	96.6	Very high	96.1	Very high	38 Å²	38	37 Å²	37	27%	0.266	19%	0.192	S	C	.	.	S	Bend	trans	-162.4	162.5	177	52.6	0	0	0	0	110.8	R545 K674	R545-S547 PolarHBondContact O-N 2.84Å; S547-K674 PolarHBondContact OG-NZ 2.92Å
548	F	98.3	Very high	96.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	19%	0.188	C	C	.	.			trans	-98.3	163.2	177.2	-64.1	-17.8	0	0	0	112.8	L538 I541 L542 R545 T552 L643 K674	L538-F548 HydrophobicContact CD1-CE2 3.6Å; L538-F548 HydrophobicContact CD1-CZ 3.87Å; L538-F548 HydrophobicContact CG-CE2 4.24Å; I541-F548 HydrophobicContact CB-CZ 4.29Å; I541-F548 HydrophobicContact CG2-CE1 3.91Å; I541-F548 HydrophobicContact CG2-CZ 3.83Å; L542-F548 HydrophobicContact CB-CE1 4.27Å; L542-F548 HydrophobicContact CB-CE2 4.47Å; L542-F548 HydrophobicContact CB-CZ 3.93Å; L542-F548 HydrophobicContact CD1-CD1 4.02Å; L542-F548 HydrophobicContact CD1-CD2 4.2Å; L542-F548 HydrophobicContact CD1-CE1 4Å; L542-F548 HydrophobicContact CD1-CE2 4.19Å; L542-F548 HydrophobicContact CD1-CG 4.11Å; L542-F548 HydrophobicContact CD1-CZ 4.09Å; R545-F548 HydrophobicContact CB-CD1 4.34Å; R545-F548 HydrophobicContact CB-CE1 4.18Å; R545-F548 HydrophobicContact CG-CE1 4.36Å; F548-T552 HydrophobicContact CB-CG2 4.24Å; F548-T552 HydrophobicContact CD1-CG2 4.49Å; F548-T552 HydrophobicContact CD2-CG2 3.79Å; F548-T552 HydrophobicContact CE2-CG2 4.29Å; F548-T552 HydrophobicContact CG-CG2 3.92Å; F548-L643 HydrophobicContact CD2-CB 4.37Å; F548-L643 HydrophobicContact CD2-CD2 3.71Å; F548-L643 HydrophobicContact CE2-CD2 3.71Å; F548-L643 PolarHBondContact N-O 3.04Å; F548-K674 PolarHBondContact O-NZ 3.33Å
549	D	97.1	Very high	96.5	Very high	87 Å²	87	36.4 Å²	36.4	47%	0.465	19%	0.189	S	C	.	.			trans	-82.9	168.5	166.7	66.5	-6.6	0	0	0	110.7	T552 S553	D549-T552 WeakPolarHBondContact OD1-CB 3.06Å; D549-T552 PolarHBondContact OD1-N 2.69Å; D549-T552 VanDerWaalsContact OD1-N 3.08Å; D549-T552 PolarHBondContact OD1-OG1 3.48Å; D549-S553 VanDerWaalsContact O-CB 3.31Å; D549-S553 WeakPolarHBondContact O-CB 3.22Å; D549-S553 PolarHBondContact O-N 2.66Å; D549-S553 PolarHBondContact O-OG 3.43Å
550	E	96.4	Very high	96.7	Very high	49 Å²	49	35.6 Å²	35.6	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-44.2	-178.3	-72.6	-162.5	-146.1	0	0	113.5	T552 S553 K554 L644 T676 W710	E550-T552 PolarHBondContact O-N 2.96Å; E550-S553 PolarHBondContact O-N 2.84Å; E550-K554 WeakPolarHBondContact O-CB 3.43Å; E550-K554 VanDerWaalsContact O-CG 3.26Å; E550-K554 WeakPolarHBondContact O-CG 3.31Å; E550-K554 PolarHBondContact O-N 2.92Å; E550-K554 IonicContact OE2-NZ 3.17Å; E550-L644 HydrophobicContact CG-CD2 4.06Å; E550-T676 WeakPolarHBondContact OE1-CG2 3.37Å; E550-T676 PolarHBondContact OE1-OG1 3.14Å; E550-W710 PolarHBondContact OE2-NE1 3.25Å
551	P	97.3	Very high	97	Very high	81 Å²	81	35 Å²	35	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-58	-46.7	177.8	-26.5	36	0	0	0	113.4	K554 F555	P551-K554 PolarHBondContact O-N 2.91Å; P551-F555 PolarHBondContact O-N 3.37Å; P551-F555 VanDerWaalsContact O-N 3.08Å
552	T	98.4	Very high	97.1	Very high	7 Å²	7	35 Å²	35	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-43.8	176.8	-55.3	0	0	0	0	110.8	F548 D549 E550 K554 F555 C556 P727 L728	F548-T552 HydrophobicContact CB-CG2 4.24Å; F548-T552 HydrophobicContact CD1-CG2 4.49Å; F548-T552 HydrophobicContact CD2-CG2 3.79Å; F548-T552 HydrophobicContact CE2-CG2 4.29Å; F548-T552 HydrophobicContact CG-CG2 3.92Å; D549-T552 WeakPolarHBondContact OD1-CB 3.06Å; D549-T552 PolarHBondContact OD1-N 2.69Å; D549-T552 VanDerWaalsContact OD1-N 3.08Å; D549-T552 PolarHBondContact OD1-OG1 3.48Å; E550-T552 PolarHBondContact O-N 2.96Å; T552-K554 PolarHBondContact O-N 3.32Å; T552-F555 PolarHBondContact O-N 3.12Å; T552-C556 PolarHBondContact O-N 3.29Å; T552-C556 PolarHBondContact O-SG 3.25Å; T552-P727 HydrophobicContact CG2-CG 4.29Å; T552-L728 HydrophobicContact CG2-CD1 4.26Å; T552-L728 HydrophobicContact CG2-CD2 3.63Å; T552-L728 HydrophobicContact CG2-CG 3.91Å
553	S	98.4	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-41.6	178.4	-57.4	0	0	0	0	112	D549 E550 C556 V557 L644	D549-S553 VanDerWaalsContact O-CB 3.31Å; D549-S553 WeakPolarHBondContact O-CB 3.22Å; D549-S553 PolarHBondContact O-N 2.66Å; D549-S553 PolarHBondContact O-OG 3.43Å; E550-S553 PolarHBondContact O-N 2.84Å; S553-C556 PolarHBondContact O-N 3.22Å; S553-V557 WeakPolarHBondContact O-CB 3.36Å; S553-V557 WeakPolarHBondContact O-CG2 3.45Å; S553-V557 PolarHBondContact O-N 3.36Å; S553-L644 WeakPolarHBondContact OG-CD2 3.38Å
554	K	98.4	Very high	97.5	Very high	44 Å²	44	29.6 Å²	29.6	19%	0.191	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-43.9	175.8	-73.3	177.3	-165.4	-173.1	0	111.9	E550 P551 T552 C556 V557 A558 W710 L711 F714	E550-K554 WeakPolarHBondContact O-CB 3.43Å; E550-K554 VanDerWaalsContact O-CG 3.26Å; E550-K554 WeakPolarHBondContact O-CG 3.31Å; E550-K554 PolarHBondContact O-N 2.92Å; E550-K554 IonicContact OE2-NZ 3.17Å; P551-K554 PolarHBondContact O-N 2.91Å; T552-K554 PolarHBondContact O-N 3.32Å; K554-C556 VanDerWaalsContact C-N 3.33Å; K554-C556 PolarHBondContact O-N 3.47Å; K554-V557 PolarHBondContact O-N 3.45Å; K554-A558 WeakPolarHBondContact O-CB 3.45Å; K554-A558 PolarHBondContact O-N 2.88Å; K554-W710 VanDerWaalsContact CE-NE1 3.31Å; K554-W710 WeakPolarHBondContact CE-O 3.44Å; K554-W710 HydrophobicContact CG-CD2 4.1Å; K554-W710 HydrophobicContact CG-CE3 4.19Å; K554-W710 HydrophobicContact CG-CH2 3.84Å; K554-W710 HydrophobicContact CG-CZ2 3.64Å; K554-W710 HydrophobicContact CG-CZ3 4.09Å; K554-W710 PolarHBondContact NZ-O 3.3Å; K554-L711 HydrophobicContact CB-CD2 3.98Å; K554-L711 HydrophobicContact CD-CD2 4.39Å; K554-L711 HydrophobicContact CG-CD2 3.86Å; K554-F714 HydrophobicContact CB-CD2 4.33Å; K554-F714 HydrophobicContact CB-CE2 4.45Å
555	F	98.7	Very high	97.7	Very high	4 Å²	4	25 Å²	25	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-45.2	176.2	-178.3	-89.5	0	0	0	111.4	P551 T552 A558 C559 Y589 L719 L724 S726 P727	P551-F555 PolarHBondContact O-N 3.37Å; P551-F555 VanDerWaalsContact O-N 3.08Å; T552-F555 PolarHBondContact O-N 3.12Å; F555-A558 PolarHBondContact O-N 3.28Å; F555-C559 PolarHBondContact O-N 3.21Å; F555-C559 VanDerWaalsContact O-N 3.1Å; F555-C559 PolarHBondContact O-SG 3.23Å; F555-Y589 HydrophobicContact CE2-CD1 4.43Å; F555-Y589 HydrophobicContact CE2-CE1 4.08Å; F555-Y589 AromaticContact CZ-CD1 3.74Å; F555-Y589 HydrophobicContact CZ-CD1 3.74Å; F555-Y589 HydrophobicContact CZ-CD2 4.34Å; F555-Y589 AromaticContact CZ-CE1 3.82Å; F555-Y589 HydrophobicContact CZ-CE1 3.82Å; F555-Y589 HydrophobicContact CZ-CE2 4.39Å; F555-Y589 HydrophobicContact CZ-CG 4.04Å; F555-L719 HydrophobicContact CD2-CD1 4.03Å; F555-L719 HydrophobicContact CE2-CD1 3.68Å; F555-L719 HydrophobicContact CZ-CD1 4.21Å; F555-L724 HydrophobicContact CD2-CD2 4.06Å; F555-L724 HydrophobicContact CE2-CD2 4.24Å; F555-S726 WeakPolarHBondContact CE1-OG 3.45Å; F555-P727 HydrophobicContact CB-CG 3.79Å; F555-P727 HydrophobicContact CD1-CG 4.13Å; F555-P727 HydrophobicContact CD2-CG 4.46Å; F555-P727 VanDerWaalsContact CG-CD 3.48Å; F555-P727 HydrophobicContact CG-CG 3.88Å
556	C	98.8	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-52.6	177.5	-62.4	0	0	0	0	111.5	T552 S553 K554 A558 C559 V560 L590 L643 L728	T552-C556 PolarHBondContact O-N 3.29Å; T552-C556 PolarHBondContact O-SG 3.25Å; S553-C556 PolarHBondContact O-N 3.22Å; K554-C556 VanDerWaalsContact C-N 3.33Å; K554-C556 PolarHBondContact O-N 3.47Å; C556-A558 VanDerWaalsContact C-N 3.26Å; C556-A558 PolarHBondContact O-N 3.28Å; C556-C559 PolarHBondContact O-N 3.37Å; C556-V560 WeakPolarHBondContact O-CG2 3.35Å; C556-V560 PolarHBondContact O-N 3.36Å; C556-V560 VanDerWaalsContact O-N 3.15Å; C556-L590 HydrophobicContact CB-CD1 3.65Å; C556-L643 HydrophobicContact CB-CD1 3.74Å; C556-L728 VanDerWaalsContact SG-CD1 3.59Å
557	V	98.7	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-37.1	-179.7	170.2	0	0	0	0	111.2	S553 K554 V560 T561 L636 V640 L643 W710	S553-V557 WeakPolarHBondContact O-CB 3.36Å; S553-V557 WeakPolarHBondContact O-CG2 3.45Å; S553-V557 PolarHBondContact O-N 3.36Å; K554-V557 PolarHBondContact O-N 3.45Å; V557-V560 PolarHBondContact O-N 3.26Å; V557-T561 WeakPolarHBondContact O-CB 2.95Å; V557-T561 PolarHBondContact O-N 3.39Å; V557-T561 PolarHBondContact O-OG1 3.34Å; V557-L636 HydrophobicContact CG1-CD1 4.11Å; V557-L636 HydrophobicContact CG1-CD2 4.49Å; V557-L636 HydrophobicContact CG1-CG 4.43Å; V557-V640 HydrophobicContact CG1-CG2 4.18Å; V557-V640 HydrophobicContact CG2-CB 4.48Å; V557-V640 HydrophobicContact CG2-CG2 3.55Å; V557-L643 HydrophobicContact CG2-CD1 4.07Å; V557-W710 HydrophobicContact CB-CZ3 4.17Å; V557-W710 HydrophobicContact CG1-CZ3 4.11Å; V557-W710 HydrophobicContact CG2-CH2 4.13Å; V557-W710 HydrophobicContact CG2-CZ3 4.08Å
558	A	98.6	Very high	97.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.3	-39.9	178.5	0	0	0	0	0	112.5	K554 F555 C556 T561 E562 F714 W716 L719	K554-A558 WeakPolarHBondContact O-CB 3.45Å; K554-A558 PolarHBondContact O-N 2.88Å; F555-A558 PolarHBondContact O-N 3.28Å; C556-A558 VanDerWaalsContact C-N 3.26Å; C556-A558 PolarHBondContact O-N 3.28Å; A558-T561 PolarHBondContact O-N 2.84Å; A558-E562 PolarHBondContact O-N 3.18Å; A558-F714 HydrophobicContact CB-CD1 4.11Å; A558-F714 HydrophobicContact CB-CE1 3.34Å; A558-F714 HydrophobicContact CB-CE2 4.22Å; A558-F714 HydrophobicContact CB-CZ 3.4Å; A558-W716 HydrophobicContact CB-CE3 4.3Å; A558-W716 HydrophobicContact CB-CH2 3.73Å; A558-W716 HydrophobicContact CB-CZ2 4.47Å; A558-W716 HydrophobicContact CB-CZ3 3.63Å; A558-L719 HydrophobicContact CB-CD2 3.62Å
559	C	98.7	Very high	97.4	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-47.7	172.7	-65.8	0	0	0	0	111.3	F512 F555 C556 T561 E562 A563 L590	F512-C559 HydrophobicContact CD1-CB 4.05Å; F512-C559 HydrophobicContact CE1-CB 4.47Å; F555-C559 PolarHBondContact O-N 3.21Å; F555-C559 VanDerWaalsContact O-N 3.1Å; F555-C559 PolarHBondContact O-SG 3.23Å; C556-C559 PolarHBondContact O-N 3.37Å; C559-T561 VanDerWaalsContact C-N 3.34Å; C559-T561 PolarHBondContact O-N 3.4Å; C559-E562 PolarHBondContact O-N 2.95Å; C559-A563 PolarHBondContact O-N 3.13Å; C559-L590 HydrophobicContact CB-CB 3.83Å
560	V	98.8	Very high	97	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-40.2	178.1	179.4	0	0	0	0	111.5	C556 V557 E562 A563 F564 L577 L582 L636 L639	C556-V560 WeakPolarHBondContact O-CG2 3.35Å; C556-V560 PolarHBondContact O-N 3.36Å; C556-V560 VanDerWaalsContact O-N 3.15Å; V557-V560 PolarHBondContact O-N 3.26Å; V560-E562 PolarHBondContact O-N 2.9Å; V560-A563 WeakPolarHBondContact O-CB 3.24Å; V560-A563 PolarHBondContact O-N 3.35Å; V560-F564 HydrophobicContact CG1-CD2 4.06Å; V560-F564 HydrophobicContact CG1-CE1 4.25Å; V560-F564 HydrophobicContact CG1-CE2 3.75Å; V560-F564 HydrophobicContact CG1-CG 4.45Å; V560-F564 HydrophobicContact CG1-CZ 3.88Å; V560-F564 PolarHBondContact O-N 3.21Å; V560-L577 HydrophobicContact CG1-CD1 3.68Å; V560-L577 HydrophobicContact CG1-CD2 3.8Å; V560-L577 HydrophobicContact CG1-CG 4.42Å; V560-L577 HydrophobicContact CG2-CD1 4.25Å; V560-L582 HydrophobicContact CG2-CD1 4Å; V560-L582 HydrophobicContact CG2-CD2 3.6Å; V560-L582 HydrophobicContact CG2-CG 4.49Å; V560-L636 HydrophobicContact CB-CD1 4.09Å; V560-L636 HydrophobicContact CG1-CD1 3.74Å; V560-L639 HydrophobicContact CG2-CD2 3.98Å
561	T	98.6	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-40	177.7	-57.2	0	0	0	0	111.6	V557 A558 C559 D565 I702 I705 K706 W716	V557-T561 WeakPolarHBondContact O-CB 2.95Å; V557-T561 PolarHBondContact O-N 3.39Å; V557-T561 PolarHBondContact O-OG1 3.34Å; A558-T561 PolarHBondContact O-N 2.84Å; C559-T561 VanDerWaalsContact C-N 3.34Å; C559-T561 PolarHBondContact O-N 3.4Å; T561-D565 WeakPolarHBondContact O-CB 2.95Å; T561-D565 PolarHBondContact O-N 3.47Å; T561-I702 HydrophobicContact CG2-CD1 3.83Å; T561-I702 HydrophobicContact CG2-CG1 3.77Å; T561-I702 WeakPolarHBondContact O-CD1 3.49Å; T561-I705 HydrophobicContact CG2-CG2 4.33Å; T561-K706 HydrophobicContact CG2-CG 3.97Å; T561-W716 HydrophobicContact CG2-CH2 3.99Å; T561-W716 HydrophobicContact CG2-CZ3 4.15Å
562	E	97.6	Very high	96.7	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.056	9%	0.086	C	C	.	.	H	α-helix	trans	-69.1	-35.3	174.1	-70.1	-62.8	149.5	0	0	112.4	F512 A558 C559 V560 D565 Y566 K706 W716 L719 K720	F512-E562 HydrophobicContact CD2-CB 3.51Å; F512-E562 HydrophobicContact CD2-CG 4.47Å; F512-E562 HydrophobicContact CE2-CB 3.47Å; F512-E562 VanDerWaalsContact CE2-CB 3.47Å; F512-E562 HydrophobicContact CE2-CG 3.96Å; F512-E562 HydrophobicContact CG-CB 4.24Å; F512-E562 HydrophobicContact CZ-CB 4.19Å; F512-E562 HydrophobicContact CZ-CG 4.35Å; A558-E562 PolarHBondContact O-N 3.18Å; C559-E562 PolarHBondContact O-N 2.95Å; V560-E562 PolarHBondContact O-N 2.9Å; E562-D565 PolarHBondContact O-N 3.06Å; E562-Y566 PolarHBondContact O-N 3.07Å; E562-Y566 VanDerWaalsContact O-N 3.13Å; E562-K706 VanDerWaalsContact OE1-CE 3.29Å; E562-K706 WeakPolarHBondContact OE1-CE 2.99Å; E562-K706 IonicContact OE1-NZ 3.14Å; E562-K706 PolarHBondContact OE1-NZ 2.76Å; E562-K706 IonicContact OE2-NZ 3.09Å; E562-K706 PolarHBondContact OE2-NZ 3.22Å; E562-W716 HydrophobicContact CG-CE3 4.3Å; E562-W716 HydrophobicContact CG-CZ3 4.31Å; E562-W716 VanDerWaalsContact OE1-CE3 3.31Å; E562-L719 HydrophobicContact CG-CD2 3.96Å; E562-K720 HydrophobicContact CG-CG 4.28Å; E562-K720 WeakPolarHBondContact OE1-CE 3.36Å; E562-K720 IonicContact OE1-NZ 2.69Å; E562-K720 WeakPolarHBondContact OE2-CE 3.16Å
563	A	98.2	Very high	96.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-64.9	-43.5	174.4	0	0	0	0	0	112	F512 I513 C559 V560 Y566 L567 L592	F512-A563 HydrophobicContact CB-CB 3.88Å; I513-A563 HydrophobicContact CG1-CB 4.14Å; C559-A563 PolarHBondContact O-N 3.13Å; V560-A563 WeakPolarHBondContact O-CB 3.24Å; V560-A563 PolarHBondContact O-N 3.35Å; A563-Y566 WeakPolarHBondContact O-CB 3.47Å; A563-Y566 PolarHBondContact O-N 3.15Å; A563-L567 WeakPolarHBondContact O-CG 3.28Å; A563-L567 PolarHBondContact O-N 2.86Å; A563-L592 HydrophobicContact CB-CD1 3.48Å; A563-L592 VanDerWaalsContact CB-CD1 3.48Å; A563-L592 HydrophobicContact CB-CG 3.93Å
564	F	98.4	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.5	-42.1	174.2	-72.3	-12.7	0	0	0	113	V560 Y566 L567 H568 Y574 L577 L592 D632 L636 I702	V560-F564 HydrophobicContact CG1-CD2 4.06Å; V560-F564 HydrophobicContact CG1-CE1 4.25Å; V560-F564 HydrophobicContact CG1-CE2 3.75Å; V560-F564 HydrophobicContact CG1-CG 4.45Å; V560-F564 HydrophobicContact CG1-CZ 3.88Å; V560-F564 PolarHBondContact O-N 3.21Å; F564-Y566 PolarHBondContact O-N 2.87Å; F564-L567 HydrophobicContact CD1-CD1 4.48Å; F564-L567 PolarHBondContact O-N 3.39Å; F564-H568 WeakPolarHBondContact O-CB 3.33Å; F564-H568 VanDerWaalsContact O-CG 3.27Å; F564-H568 PolarHBondContact O-N 3.46Å; F564-Y574 AromaticContact CE1-CD1 3.95Å; F564-Y574 HydrophobicContact CE1-CD1 3.95Å; F564-Y574 HydrophobicContact CE1-CG 4.2Å; F564-Y574 HydrophobicContact CZ-CD1 4.44Å; F564-L577 HydrophobicContact CE2-CD2 3.84Å; F564-L577 HydrophobicContact CZ-CB 4Å; F564-L577 HydrophobicContact CZ-CD1 4.26Å; F564-L577 HydrophobicContact CZ-CD2 3.65Å; F564-L577 HydrophobicContact CZ-CG 4.18Å; F564-L592 HydrophobicContact CD1-CD1 4.21Å; F564-L592 HydrophobicContact CE1-CD1 4.1Å; F564-D632 HydrophobicContact CD1-CB 4.48Å; F564-D632 HydrophobicContact CD2-CB 4.11Å; F564-D632 HydrophobicContact CE1-CB 4.13Å; F564-D632 HydrophobicContact CE2-CB 3.73Å; F564-D632 VanDerWaalsContact CE2-O 3.28Å; F564-D632 WeakPolarHBondContact CE2-O 3.49Å; F564-D632 HydrophobicContact CG-CB 4.46Å; F564-D632 HydrophobicContact CZ-CB 3.72Å; F564-L636 HydrophobicContact CE2-CB 4.28Å; F564-I702 HydrophobicContact CB-CD1 3.79Å
565	D	95.9	Very high	96.4	Very high	16 Å²	16	16.8 Å²	16.8	9%	0.086	8%	0.077	C	C	.	.	H	α-helix	trans	-55.9	-38.5	174	-173.5	35.2	0	0	0	111	T561 E562 R569 I702 K706	T561-D565 WeakPolarHBondContact O-CB 2.95Å; T561-D565 PolarHBondContact O-N 3.47Å; E562-D565 PolarHBondContact O-N 3.06Å; D565-R569 VanDerWaalsContact O-CG 3.24Å; D565-R569 WeakPolarHBondContact O-CG 3.25Å; D565-R569 PolarHBondContact O-N 3.41Å; D565-R569 PolarHBondContact O-NE 3.28Å; D565-R569 VanDerWaalsContact O-NE 3.15Å; D565-R569 IonicContact OD1-CZ 2.93Å; D565-R569 IonicContact OD1-NH1 3.78Å; D565-R569 PolarHBondContact OD1-NH1 3.13Å; D565-R569 IonicContact OD2-CZ 2.65Å; D565-R569 IonicContact OD2-NH1 2.9Å; D565-R569 PolarHBondContact OD2-NH1 3.49Å; D565-R569 IonicContact OD2-NH2 3.21Å; D565-R569 PolarHBondContact OD2-NH2 2.97Å; D565-I702 HydrophobicContact CB-CD1 3.98Å; D565-I702 HydrophobicContact CB-CG2 3.96Å; D565-I702 WeakPolarHBondContact OD1-CG2 3.49Å; D565-K706 IonicContact OD2-NZ 3.78Å; D565-K706 PolarHBondContact OD2-NZ 3.48Å
566	Y	96	Very high	96.3	Very high	45 Å²	45	17 Å²	17	18%	0.176	8%	0.078	C	C	.	.	H	α-helix	trans	-68.5	-51.6	175.7	-176.6	-98.7	0	0	0	112.8	L508 C509 I513 E562 A563 F564 R569 L570	L508-Y566 HydrophobicContact CB-CE1 4.26Å; L508-Y566 HydrophobicContact CD2-CD1 4.27Å; L508-Y566 HydrophobicContact CD2-CE1 3.66Å; C509-Y566 PolarHBondContact N-OH 3.3Å; C509-Y566 WeakPolarHBondContact O-CE2 3.37Å; C509-Y566 VanDerWaalsContact O-CZ 3.29Å; C509-Y566 PolarHBondContact O-OH 3.48Å; I513-Y566 HydrophobicContact CD1-CD1 3.67Å; I513-Y566 HydrophobicContact CD1-CE1 4.28Å; E562-Y566 PolarHBondContact O-N 3.07Å; E562-Y566 VanDerWaalsContact O-N 3.13Å; A563-Y566 WeakPolarHBondContact O-CB 3.47Å; A563-Y566 PolarHBondContact O-N 3.15Å; F564-Y566 PolarHBondContact O-N 2.87Å; Y566-R569 PolarHBondContact O-N 3.23Å; Y566-L570 HydrophobicContact CD1-CD1 4.21Å; Y566-L570 HydrophobicContact CE1-CD1 3.59Å; Y566-L570 HydrophobicContact CE2-CD1 4.38Å; Y566-L570 PolarHBondContact O-N 2.88Å
567	L	96.3	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-47.3	-177.2	-71.3	172.2	0	0	0	112.8	L508 I513 A563 F564 R569 L570 G571 I572 Y574 L592 F595	L508-L567 HydrophobicContact CD1-CD2 3.81Å; L508-L567 HydrophobicContact CD2-CD2 3.6Å; L508-L567 HydrophobicContact CG-CD2 4.4Å; I513-L567 HydrophobicContact CD1-CD1 4.2Å; I513-L567 HydrophobicContact CD1-CD2 3.8Å; I513-L567 HydrophobicContact CD1-CG 3.77Å; A563-L567 WeakPolarHBondContact O-CG 3.28Å; A563-L567 PolarHBondContact O-N 2.86Å; F564-L567 HydrophobicContact CD1-CD1 4.48Å; F564-L567 PolarHBondContact O-N 3.39Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.23Å; L567-L570 CarbonylContact O-C 3.03Å; L567-L570 WeakPolarHBondContact O-CA 3.4Å; L567-L570 PolarHBondContact O-N 3.44Å; L567-G571 PolarHBondContact O-N 3.36Å; L567-I572 CarbonylContact C-O 3.56Å; L567-I572 HydrophobicContact CB-CB 4.36Å; L567-I572 HydrophobicContact CD2-CB 4.18Å; L567-I572 HydrophobicContact CD2-CD1 4.46Å; L567-I572 HydrophobicContact CD2-CG2 3.95Å; L567-I572 PolarHBondContact O-N 2.62Å; L567-Y574 HydrophobicContact CD1-CD2 4.34Å; L567-Y574 HydrophobicContact CD1-CG 4.48Å; L567-L592 HydrophobicContact CD1-CD1 3.97Å; L567-F595 HydrophobicContact CD1-CE1 4.04Å; L567-F595 HydrophobicContact CD1-CZ 4.43Å; L567-F595 HydrophobicContact CD2-CE1 3.83Å
568	H	94.6	Very high	96.2	Very high	31 Å²	31	17.4 Å²	17.4	14%	0.144	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-33.6	-176.1	-64.4	178.9	0	0	0	111.7	F564 L570 G571 I572 F629 D632 F633	F564-H568 WeakPolarHBondContact O-CB 3.33Å; F564-H568 VanDerWaalsContact O-CG 3.27Å; F564-H568 PolarHBondContact O-N 3.46Å; H568-L570 PolarHBondContact O-N 3.49Å; H568-G571 PolarHBondContact O-N 3.28Å; H568-I572 PolarHBondContact CD2-O 3.49Å; H568-F629 HydrophobicContact CB-CD1 4.25Å; H568-F629 HydrophobicContact CB-CG 4.44Å; H568-F629 AromaticContact CD2-CD1 3.63Å; H568-F629 AromaticContact CG-CD1 3.95Å; H568-D632 IonicContact CD2-OD2 3.32Å; H568-D632 IonicContact CE1-OD2 3.26Å; H568-D632 IonicContact NE2-OD2 2.7Å; H568-D632 PolarHBondContact NE2-OD2 3.31Å; H568-F633 AromaticContact CE1-CE1 3.65Å; H568-F633 AromaticContact CE1-CZ 3.54Å; H568-F633 AromaticContact ND1-CE1 3.76Å; H568-F633 AromaticContact ND1-CZ 3.37Å; H568-F633 WeakPolarHBondContact ND1-CZ 3.4Å
569	R	91	Very high	96.1	Very high	142 Å²	142	17.4 Å²	17.4	54%	0.536	8%	0.08	S	C	.	.	H	α-helix	trans	-64.5	-27.1	172.5	-77.6	-172.4	-58.2	-131.5	-1.2	113.6	D565 Y566 L567 G571	D565-R569 VanDerWaalsContact O-CG 3.24Å; D565-R569 WeakPolarHBondContact O-CG 3.25Å; D565-R569 PolarHBondContact O-N 3.41Å; D565-R569 PolarHBondContact O-NE 3.28Å; D565-R569 VanDerWaalsContact O-NE 3.15Å; D565-R569 IonicContact OD1-CZ 2.93Å; D565-R569 IonicContact OD1-NH1 3.78Å; D565-R569 PolarHBondContact OD1-NH1 3.13Å; D565-R569 IonicContact OD2-CZ 2.65Å; D565-R569 IonicContact OD2-NH1 2.9Å; D565-R569 PolarHBondContact OD2-NH1 3.49Å; D565-R569 IonicContact OD2-NH2 3.21Å; D565-R569 PolarHBondContact OD2-NH2 2.97Å; Y566-R569 PolarHBondContact O-N 3.23Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.23Å; R569-G571 VanDerWaalsContact C-N 3.28Å
570	L	89.7	Confident	95.9	Very high	69 Å²	69	18 Å²	18	36%	0.361	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.4	174.8	-63.3	178.9	0	0	0	112.7	L508 Y566 L567 H568 I572	L508-L570 HydrophobicContact CD2-CD1 3.82Å; Y566-L570 HydrophobicContact CD1-CD1 4.21Å; Y566-L570 HydrophobicContact CE1-CD1 3.59Å; Y566-L570 HydrophobicContact CE2-CD1 4.38Å; Y566-L570 PolarHBondContact O-N 2.88Å; L567-L570 CarbonylContact O-C 3.03Å; L567-L570 WeakPolarHBondContact O-CA 3.4Å; L567-L570 PolarHBondContact O-N 3.44Å; H568-L570 PolarHBondContact O-N 3.49Å; L570-I572 VanDerWaalsContact C-N 3.33Å; L570-I572 HydrophobicContact CB-CD1 3.89Å; L570-I572 HydrophobicContact CB-CG1 4.25Å; L570-I572 HydrophobicContact CD1-CD1 4.41Å
571	G	90.8	Very high	95.8	Very high	16 Å²	16	18.4 Å²	18.4	17%	0.165	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	26.6	-176.1	0	0	0	0	0	113.1	L567 H568 R569 K600 I601	L567-G571 PolarHBondContact O-N 3.36Å; H568-G571 PolarHBondContact O-N 3.28Å; R569-G571 VanDerWaalsContact C-N 3.28Å; G571-K600 CarbonylContact O-C 3.58Å; G571-K600 WeakPolarHBondContact O-CA 3.33Å; G571-I601 PolarHBondContact O-N 3.35Å
572	I	95.3	Very high	95.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	-178	-60.7	163.7	0	0	0	109.9	I504 L508 L567 H568 L570 A598 K599 K600	I504-I572 HydrophobicContact CD1-CG2 4.41Å; I504-I572 HydrophobicContact CG2-CD1 4.23Å; I504-I572 HydrophobicContact CG2-CG2 4.22Å; L508-I572 HydrophobicContact CD2-CD1 3.78Å; L567-I572 CarbonylContact C-O 3.56Å; L567-I572 HydrophobicContact CB-CB 4.36Å; L567-I572 HydrophobicContact CD2-CB 4.18Å; L567-I572 HydrophobicContact CD2-CD1 4.46Å; L567-I572 HydrophobicContact CD2-CG2 3.95Å; L567-I572 PolarHBondContact O-N 2.62Å; H568-I572 PolarHBondContact CD2-O 3.49Å; L570-I572 VanDerWaalsContact C-N 3.33Å; L570-I572 HydrophobicContact CB-CD1 3.89Å; L570-I572 HydrophobicContact CB-CG1 4.25Å; L570-I572 HydrophobicContact CD1-CD1 4.41Å; I572-A598 HydrophobicContact CG2-CB 4.3Å; I572-K599 CarbonylContact C-O 3.49Å; I572-K599 WeakPolarHBondContact CA-O 3.33Å; I572-K600 HydrophobicContact CG1-CG 4.29Å
573	I	96.3	Very high	95.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.9	172.2	-169.6	-176.7	0	0	0	109.2	R575 A598 K599 I601 D628 F629 V631	I573-R575 HydrophobicContact CB-CG 4.36Å; I573-R575 HydrophobicContact CD1-CG 3.66Å; I573-R575 HydrophobicContact CG1-CG 3.62Å; I573-R575 HydrophobicContact CG2-CG 4.05Å; I573-A598 CarbonylContact O-C 3.59Å; I573-A598 WeakPolarHBondContact O-CA 3.08Å; I573-K599 HydrophobicContact CG2-CB 3.91Å; I573-K599 WeakPolarHBondContact CG2-O 3.27Å; I573-K599 PolarHBondContact N-O 3.22Å; I573-K599 PolarHBondContact O-N 2.9Å; I573-I601 HydrophobicContact CB-CD1 4.44Å; I573-I601 HydrophobicContact CG2-CG2 4.29Å; I573-D628 WeakPolarHBondContact CD1-O 3.48Å; I573-F629 HydrophobicContact CB-CD1 4.07Å; I573-F629 HydrophobicContact CB-CE1 4.34Å; I573-V631 HydrophobicContact CD1-CG2 3.6Å; I573-V631 HydrophobicContact CG1-CG2 3.99Å
574	Y	97.6	Very high	95.8	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.088	C	C	.	.			trans	-90.9	-46.5	-172.4	-178	-113.6	0	0	0	114.1	F564 L567 D576 L577 N581 L592 V593 D594 F595 F597 D632	F564-Y574 AromaticContact CE1-CD1 3.95Å; F564-Y574 HydrophobicContact CE1-CD1 3.95Å; F564-Y574 HydrophobicContact CE1-CG 4.2Å; F564-Y574 HydrophobicContact CZ-CD1 4.44Å; L567-Y574 HydrophobicContact CD1-CD2 4.34Å; L567-Y574 HydrophobicContact CD1-CG 4.48Å; Y574-D576 VanDerWaalsContact C-N 3.27Å; Y574-D576 WeakPolarHBondContact CE1-O 3.16Å; Y574-D576 PolarHBondContact O-N 3.3Å; Y574-D576 VanDerWaalsContact O-N 3.1Å; Y574-L577 HydrophobicContact CD1-CB 4.18Å; Y574-L577 HydrophobicContact CE1-CB 4.19Å; Y574-N581 VanDerWaalsContact OH-CB 3.26Å; Y574-N581 WeakPolarHBondContact OH-CB 3.37Å; Y574-L592 HydrophobicContact CE1-CD2 3.99Å; Y574-V593 PolarHBondContact OH-O 2.81Å; Y574-D594 WeakPolarHBondContact CE2-O 3.32Å; Y574-D594 PolarHBondContact OH-O 2.82Å; Y574-F595 HydrophobicContact CD2-CD1 4.18Å; Y574-F595 AromaticContact CD2-CE1 3.95Å; Y574-F595 HydrophobicContact CD2-CE1 3.95Å; Y574-F595 HydrophobicContact CD2-CZ 4.27Å; Y574-F595 HydrophobicContact CE2-CD1 4.31Å; Y574-F595 HydrophobicContact CE2-CD2 4.35Å; Y574-F595 HydrophobicContact CE2-CE1 4.17Å; Y574-F595 HydrophobicContact CE2-CE2 4.23Å; Y574-F595 HydrophobicContact CE2-CG 4.39Å; Y574-F595 HydrophobicContact CE2-CZ 4.12Å; Y574-F597 CarbonylContact O-C 3.41Å; Y574-D632 PolarHBondContact N-OD1 3.15Å; Y574-D632 PolarHBondContact N-OD2 2.89Å
575	R	96.7	Very high	95.6	Very high	11 Å²	11	19.4 Å²	19.4	4%	0.042	9%	0.09	C	C	.	.			trans	66	-3.3	170.5	-53	-171.8	-71.8	166.3	9	118.6	E128 I573 F597 C611 G612 V631 D632	E128-R575 IonicContact OE1-CZ 3.19Å; E128-R575 IonicContact OE1-NH1 3.41Å; E128-R575 IonicContact OE1-NH2 2.9Å; E128-R575 PolarHBondContact OE1-NH2 2.77Å; I573-R575 HydrophobicContact CB-CG 4.36Å; I573-R575 HydrophobicContact CD1-CG 3.66Å; I573-R575 HydrophobicContact CG1-CG 3.62Å; I573-R575 HydrophobicContact CG2-CG 4.05Å; R575-F597 HydrophobicContact CB-CB 4.28Å; R575-F597 PolarHBondContact NE-O 3Å; R575-F597 PolarHBondContact NH2-O 3.09Å; R575-C611 PolarHBondContact NH1-SG 3.19Å; R575-C611 VanDerWaalsContact NH1-SG 3.38Å; R575-G612 WeakPolarHBondContact O-CA 3.32Å; R575-V631 HydrophobicContact CG-CG2 4.24Å; R575-D632 PolarHBondContact N-OD1 3.31Å
576	D	96.3	Very high	95.4	Very high	8 Å²	8	21 Å²	21	4%	0.043	11%	0.105	C	C	.	.			trans	-135.1	44.2	176.4	-152.7	35.8	0	0	0	113.9	Y574 K578 N581 F597 T613	Y574-D576 VanDerWaalsContact C-N 3.27Å; Y574-D576 WeakPolarHBondContact CE1-O 3.16Å; Y574-D576 PolarHBondContact O-N 3.3Å; Y574-D576 VanDerWaalsContact O-N 3.1Å; D576-K578 PolarHBondContact O-N 3.27Å; D576-K578 IonicContact OD1-NZ 2.77Å; D576-K578 VanDerWaalsContact OD2-CE 3.27Å; D576-K578 WeakPolarHBondContact OD2-CE 3.28Å; D576-K578 IonicContact OD2-NZ 3.3Å; D576-K578 PolarHBondContact OD2-NZ 3.2Å; D576-K578 VanDerWaalsContact OD2-NZ 3.17Å; D576-N581 PolarHBondContact O-ND2 3.43Å; D576-N581 PolarHBondContact OD2-ND2 2.95Å; D576-F597 HydrophobicContact CB-CB 4.35Å; D576-F597 HydrophobicContact CB-CD2 3.68Å; D576-F597 HydrophobicContact CB-CE2 4.43Å; D576-F597 HydrophobicContact CB-CG 4.43Å; D576-T613 PolarHBondContact OD1-N 3.4Å; D576-T613 VanDerWaalsContact OD1-N 3.15Å; D576-T613 PolarHBondContact OD1-OG1 2.86Å
577	L	98.5	Very high	95.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.			trans	-68.8	124.4	174.9	-179.6	68.8	0	0	0	111.2	V560 F564 Y574 L582 L592 Y616 L636 L639	V560-L577 HydrophobicContact CG1-CD1 3.68Å; V560-L577 HydrophobicContact CG1-CD2 3.8Å; V560-L577 HydrophobicContact CG1-CG 4.42Å; V560-L577 HydrophobicContact CG2-CD1 4.25Å; F564-L577 HydrophobicContact CE2-CD2 3.84Å; F564-L577 HydrophobicContact CZ-CB 4Å; F564-L577 HydrophobicContact CZ-CD1 4.26Å; F564-L577 HydrophobicContact CZ-CD2 3.65Å; F564-L577 HydrophobicContact CZ-CG 4.18Å; Y574-L577 HydrophobicContact CD1-CB 4.18Å; Y574-L577 HydrophobicContact CE1-CB 4.19Å; L577-L582 HydrophobicContact CD1-CD1 4.19Å; L577-L582 HydrophobicContact CD1-CD2 4.28Å; L577-L582 HydrophobicContact CD1-CG 4.38Å; L577-L592 HydrophobicContact CD1-CD2 3.9Å; L577-Y616 WeakPolarHBondContact O-CD1 3.44Å; L577-Y616 WeakPolarHBondContact O-CE1 3.39Å; L577-Y616 VanDerWaalsContact O-CG 3.24Å; L577-L636 HydrophobicContact CD2-CB 4.29Å; L577-L636 HydrophobicContact CD2-CD1 4.16Å; L577-L639 HydrophobicContact CD1-CD2 4.18Å; L577-L639 HydrophobicContact CD2-CB 4.17Å; L577-L639 HydrophobicContact CD2-CD2 3.95Å; L577-L639 HydrophobicContact CG-CD2 4.25Å
578	K	96.9	Very high	95.3	Very high	10 Å²	10	23.5 Å²	23.5	4%	0.043	12%	0.119	C	C	.	.	S	Bend	trans	-165.1	160.5	173.3	59.5	-176.5	165.8	-167	0	110.4	K122 D576 E580 N581 T613 Y616	K122-K578 PolarHBondContact O-NZ 3.44Å; K122-K578 VanDerWaalsContact O-NZ 3.08Å; D576-K578 PolarHBondContact O-N 3.27Å; D576-K578 IonicContact OD1-NZ 2.77Å; D576-K578 VanDerWaalsContact OD2-CE 3.27Å; D576-K578 WeakPolarHBondContact OD2-CE 3.28Å; D576-K578 IonicContact OD2-NZ 3.3Å; D576-K578 PolarHBondContact OD2-NZ 3.2Å; D576-K578 VanDerWaalsContact OD2-NZ 3.17Å; K578-E580 WeakPolarHBondContact CB-OE2 3.46Å; K578-E580 HydrophobicContact CD-CB 4.07Å; K578-E580 HydrophobicContact CD-CG 4.48Å; K578-E580 WeakPolarHBondContact CD-OE2 3.17Å; K578-E580 HydrophobicContact CG-CB 4.08Å; K578-E580 WeakPolarHBondContact CG-OE2 3.36Å; K578-E580 PolarHBondContact O-N 2.95Å; K578-E580 VanDerWaalsContact O-N 3.14Å; K578-N581 VanDerWaalsContact CE-ND2 3.29Å; K578-N581 WeakPolarHBondContact CE-ND2 3.28Å; K578-N581 WeakPolarHBondContact CE-OD1 3.38Å; K578-N581 HydrophobicContact CG-CB 4.17Å; K578-N581 PolarHBondContact O-N 3.46Å; K578-T613 HydrophobicContact CD-CG2 4.25Å; K578-T613 WeakPolarHBondContact CD-OG1 3.44Å; K578-T613 PolarHBondContact NZ-OG1 2.9Å; K578-Y616 HydrophobicContact CB-CD2 4.17Å; K578-Y616 HydrophobicContact CB-CE1 4.39Å; K578-Y616 HydrophobicContact CB-CE2 3.74Å
579	P	97.1	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-53	-30.7	176.9	-29.4	35.1	0	0	0	114.5	W539 L542 N581 L582 Y616 L639	W539-P579 HydrophobicContact CB-CB 3.82Å; W539-P579 PolarHBondContact N-O 3.13Å; L542-P579 HydrophobicContact CD2-CG 4.16Å; P579-N581 VanDerWaalsContact C-N 3.28Å; P579-N581 PolarHBondContact O-N 2.84Å; P579-L582 PolarHBondContact O-N 2.59Å; P579-Y616 WeakPolarHBondContact CD-OH 3.05Å; P579-L639 HydrophobicContact CG-CD1 3.94Å
580	E	94.1	Very high	95.8	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.065	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-67.2	-29.9	178.7	-62.3	88.6	150.9	0	0	112.4	A121 K122 W539 K578 L582	A121-E580 HydrophobicContact CB-CG 4.37Å; K122-E580 WeakPolarHBondContact CB-OE1 3.4Å; K122-E580 PolarHBondContact N-OE1 2.68Å; W539-E580 HydrophobicContact CB-CB 4.49Å; W539-E580 HydrophobicContact CB-CG 3.91Å; W539-E580 HydrophobicContact CD2-CG 4.36Å; W539-E580 HydrophobicContact CG-CG 3.78Å; K578-E580 WeakPolarHBondContact CB-OE2 3.46Å; K578-E580 HydrophobicContact CD-CB 4.07Å; K578-E580 HydrophobicContact CD-CG 4.48Å; K578-E580 WeakPolarHBondContact CD-OE2 3.17Å; K578-E580 HydrophobicContact CG-CB 4.08Å; K578-E580 WeakPolarHBondContact CG-OE2 3.36Å; K578-E580 PolarHBondContact O-N 2.95Å; K578-E580 VanDerWaalsContact O-N 3.14Å; E580-L582 VanDerWaalsContact C-N 3.32Å
581	N	96.4	Very high	96.2	Very high	10 Å²	10	12.5 Å²	12.5	5%	0.053	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-96.5	16.9	179.9	-66.4	-6.6	0	0	0	112.7	Y574 D576 K578 P579 V593	Y574-N581 VanDerWaalsContact OH-CB 3.26Å; Y574-N581 WeakPolarHBondContact OH-CB 3.37Å; D576-N581 PolarHBondContact O-ND2 3.43Å; D576-N581 PolarHBondContact OD2-ND2 2.95Å; K578-N581 VanDerWaalsContact CE-ND2 3.29Å; K578-N581 WeakPolarHBondContact CE-ND2 3.28Å; K578-N581 WeakPolarHBondContact CE-OD1 3.38Å; K578-N581 HydrophobicContact CG-CB 4.17Å; K578-N581 PolarHBondContact O-N 3.46Å; P579-N581 VanDerWaalsContact C-N 3.28Å; P579-N581 PolarHBondContact O-N 2.84Å; N581-V593 HydrophobicContact CB-CG2 4.36Å; N581-V593 WeakPolarHBondContact O-CG2 3.08Å; N581-V593 PolarHBondContact O-N 3.28Å
582	L	98.3	Very high	96.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	111.1	176.4	-68.9	171.4	0	0	0	108.7	L538 V560 L577 P579 E580 L590 L592 L639	L538-L582 HydrophobicContact CB-CB 3.84Å; L538-L582 WeakPolarHBondContact CB-O 3.12Å; L538-L582 HydrophobicContact CD2-CB 3.97Å; L538-L582 HydrophobicContact CD2-CD1 3.62Å; L538-L582 HydrophobicContact CD2-CG 4.44Å; L538-L582 PolarHBondContact N-O 3.26Å; V560-L582 HydrophobicContact CG2-CD1 4Å; V560-L582 HydrophobicContact CG2-CD2 3.6Å; V560-L582 HydrophobicContact CG2-CG 4.49Å; L577-L582 HydrophobicContact CD1-CD1 4.19Å; L577-L582 HydrophobicContact CD1-CD2 4.28Å; L577-L582 HydrophobicContact CD1-CG 4.38Å; P579-L582 PolarHBondContact O-N 2.59Å; E580-L582 VanDerWaalsContact C-N 3.32Å; L582-L590 HydrophobicContact CB-CD2 4.2Å; L582-L590 HydrophobicContact CD1-CD1 4.48Å; L582-L592 HydrophobicContact CD2-CD2 3.49Å; L582-L592 VanDerWaalsContact CD2-CD2 3.49Å; L582-L592 HydrophobicContact CD2-CG 4.41Å; L582-L639 HydrophobicContact CD1-CD1 4.12Å; L582-L639 HydrophobicContact CD1-CD2 3.86Å
583	I	97.3	Very high	96.6	Very high	26 Å²	26	12.8 Å²	12.8	13%	0.133	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	-179.4	-57	-169.1	0	0	0	109.7	C533 E537 K591 V593	C533-I583 HydrophobicContact CB-CB 4.23Å; C533-I583 HydrophobicContact CB-CG2 3.49Å; C533-I583 VanDerWaalsContact CB-CG2 3.49Å; C533-I583 VanDerWaalsContact O-CG2 3.31Å; C533-I583 WeakPolarHBondContact O-CG2 3.46Å; E537-I583 HydrophobicContact CG-CD1 4.47Å; E537-I583 HydrophobicContact CG-CG1 4.39Å; I583-K591 PolarHBondContact N-O 3.27Å; I583-K591 PolarHBondContact O-N 2.98Å; I583-V593 HydrophobicContact CB-CG1 4.15Å; I583-V593 HydrophobicContact CD1-CB 4.43Å; I583-V593 HydrophobicContact CD1-CG1 3.91Å; I583-V593 HydrophobicContact CD1-CG2 3.87Å; I583-V593 HydrophobicContact CG1-CG1 3.94Å; I583-V593 HydrophobicContact CG1-CG2 3.81Å
584	L	97.7	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.4	174.3	-67.9	167.9	0	0	0	111.1	C533 L534 G535 G536 I541 G588 Y589 L590 L728	C533-L584 CarbonylContact C-O 3.51Å; C533-L584 VanDerWaalsContact C-O 3.29Å; C533-L584 WeakPolarHBondContact CB-O 3.46Å; L534-L584 PolarHBondContact N-O 3.37Å; G535-L584 WeakPolarHBondContact CA-O 3.24Å; G535-L584 PolarHBondContact N-O 2.83Å; G536-L584 PolarHBondContact O-N 3.38Å; I541-L584 HydrophobicContact CD1-CD1 3.21Å; I541-L584 HydrophobicContact CD1-CG 4.42Å; L584-G588 WeakPolarHBondContact CD2-O 3.13Å; L584-Y589 WeakPolarHBondContact CA-O 3.23Å; L584-L590 HydrophobicContact CD2-CD2 3.42Å; L584-L590 VanDerWaalsContact CD2-CD2 3.42Å; L584-L590 HydrophobicContact CD2-CG 4.01Å; L584-L590 HydrophobicContact CG-CD2 3.84Å; L584-L728 HydrophobicContact CD1-CB 3.96Å; L584-L728 HydrophobicContact CD1-CD1 4.48Å; L584-L728 HydrophobicContact CD2-CB 3.8Å; L584-L728 HydrophobicContact CD2-CD1 3.88Å
585	D	95.1	Very high	96.2	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.043	9%	0.087	C	C	.	.			trans	-79.5	-175.9	164.3	64	29.2	0	0	0	112.2	E587 G588 Y589 K591 R722	D585-E587 PolarHBondContact O-N 2.83Å; D585-E587 PolarHBondContact OD1-N 3.28Å; D585-E587 VanDerWaalsContact OD1-N 3.15Å; D585-G588 PolarHBondContact O-N 2.83Å; D585-G588 PolarHBondContact OD1-N 2.98Å; D585-Y589 PolarHBondContact N-O 3.41Å; D585-Y589 PolarHBondContact OD1-N 3.45Å; D585-Y589 WeakPolarHBondContact OD2-CB 3.12Å; D585-K591 WeakPolarHBondContact OD2-CE 3.07Å; D585-R722 IonicContact OD1-NH2 3.16Å; D585-R722 PolarHBondContact OD1-NH2 2.98Å; D585-R722 IonicContact OD2-CZ 3.33Å; D585-R722 IonicContact OD2-NH1 2.83Å; D585-R722 PolarHBondContact OD2-NH1 2.9Å; D585-R722 IonicContact OD2-NH2 3.73Å; D585-R722 PolarHBondContact OD2-NH2 3.44Å
586	A	92.2	Very high	95.8	Very high	48 Å²	48	16 Å²	16	40%	0.397	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.7	-175.1	0	0	0	0	0	113.6	G588 L732	A586-G588 VanDerWaalsContact C-N 3.31Å; A586-L732 HydrophobicContact CB-CD1 3.81Å
587	E	93.7	Very high	95.5	Very high	97 Å²	97	16.7 Å²	16.7	45%	0.453	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.9	176.2	-59.2	77.3	-142	0	0	112.4	D585 Y589 R722 S726	D585-E587 PolarHBondContact O-N 2.83Å; D585-E587 PolarHBondContact OD1-N 3.28Å; D585-E587 VanDerWaalsContact OD1-N 3.15Å; E587-Y589 HydrophobicContact CB-CD2 4.1Å; E587-R722 IonicContact OE2-CZ 3.57Å; E587-R722 IonicContact OE2-NH2 3.54Å; E587-R722 PolarHBondContact OE2-NH2 3.42Å; E587-S726 VanDerWaalsContact O-CB 3.32Å; E587-S726 WeakPolarHBondContact O-CB 3.24Å
588	G	96.1	Very high	95.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	77.3	20.1	-179.1	0	0	0	0	0	113.9	L584 D585 A586 S726	L584-G588 WeakPolarHBondContact CD2-O 3.13Å; D585-G588 PolarHBondContact O-N 2.83Å; D585-G588 PolarHBondContact OD1-N 2.98Å; A586-G588 VanDerWaalsContact C-N 3.31Å; G588-S726 WeakPolarHBondContact O-CB 3.5Å; G588-S726 PolarHBondContact O-OG 3.31Å
589	Y	98.1	Very high	95	Very high	6 Å²	6	18.4 Å²	18.4	2%	0.024	10%	0.102	C	C	.	.			trans	-85.4	142.6	170.6	-82.5	-100	0	0	0	110.6	F512 F555 L584 D585 E587 L719 R722 L724	F512-Y589 AromaticContact CE1-CD1 3.94Å; F512-Y589 HydrophobicContact CE1-CD1 3.94Å; F512-Y589 HydrophobicContact CE1-CE1 4.35Å; F555-Y589 HydrophobicContact CE2-CD1 4.43Å; F555-Y589 HydrophobicContact CE2-CE1 4.08Å; F555-Y589 AromaticContact CZ-CD1 3.74Å; F555-Y589 HydrophobicContact CZ-CD1 3.74Å; F555-Y589 HydrophobicContact CZ-CD2 4.34Å; F555-Y589 AromaticContact CZ-CE1 3.82Å; F555-Y589 HydrophobicContact CZ-CE1 3.82Å; F555-Y589 HydrophobicContact CZ-CE2 4.39Å; F555-Y589 HydrophobicContact CZ-CG 4.04Å; L584-Y589 WeakPolarHBondContact CA-O 3.23Å; D585-Y589 PolarHBondContact N-O 3.41Å; D585-Y589 PolarHBondContact OD1-N 3.45Å; D585-Y589 WeakPolarHBondContact OD2-CB 3.12Å; E587-Y589 HydrophobicContact CB-CD2 4.1Å; Y589-L719 HydrophobicContact CD1-CD1 4.22Å; Y589-L719 HydrophobicContact CE1-CD1 3.63Å; Y589-L719 HydrophobicContact CE1-CG 4.33Å; Y589-R722 HydrophobicContact CE1-CG 4.31Å; Y589-R722 HydrophobicContact CE2-CB 4.36Å; Y589-R722 VanDerWaalsContact OH-C 3.24Å; Y589-R722 VanDerWaalsContact OH-CA 3.22Å; Y589-R722 WeakPolarHBondContact OH-CA 3.19Å; Y589-L724 PolarHBondContact OH-N 3.18Å; Y589-L724 PolarHBondContact OH-O 3.28Å
590	L	98.3	Very high	94.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.1	177.5	-69.8	178.5	0	0	0	111.8	L538 C556 C559 L582 L584	L538-L590 HydrophobicContact CB-CD2 4.15Å; L538-L590 HydrophobicContact CD1-CD2 4.08Å; L538-L590 HydrophobicContact CD2-CD1 3.76Å; L538-L590 HydrophobicContact CD2-CD2 4.19Å; L538-L590 HydrophobicContact CG-CD2 4.37Å; C556-L590 HydrophobicContact CB-CD1 3.65Å; C559-L590 HydrophobicContact CB-CB 3.83Å; L582-L590 HydrophobicContact CB-CD2 4.2Å; L582-L590 HydrophobicContact CD1-CD1 4.48Å; L584-L590 HydrophobicContact CD2-CD2 3.42Å; L584-L590 VanDerWaalsContact CD2-CD2 3.42Å; L584-L590 HydrophobicContact CD2-CG 4.01Å; L584-L590 HydrophobicContact CG-CD2 3.84Å
591	K	98.3	Very high	94.5	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.4	169.1	-54.3	-156.8	-175.4	-153.6	0	111	P511 F512 E531 I583 D585	P511-K591 VanDerWaalsContact O-CE 3.24Å; P511-K591 WeakPolarHBondContact O-CE 3.31Å; P511-K591 PolarHBondContact O-NZ 3.37Å; F512-K591 WeakPolarHBondContact O-CA 3.36Å; E531-K591 IonicContact OE1-NZ 2.91Å; E531-K591 PolarHBondContact OE1-NZ 2.85Å; E531-K591 IonicContact OE2-NZ 2.83Å; E531-K591 PolarHBondContact OE2-NZ 3.3Å; I583-K591 PolarHBondContact N-O 3.27Å; I583-K591 PolarHBondContact O-N 2.98Å; D585-K591 WeakPolarHBondContact OD2-CE 3.07Å
592	L	98.4	Very high	93.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.6	165.8	-68.6	177.9	0	0	0	109.6	F512 I513 V514 A563 F564 L567 Y574 L577 L582 F595	F512-L592 PolarHBondContact O-N 3.06Å; I513-L592 HydrophobicContact CG1-CB 4.48Å; V514-L592 WeakPolarHBondContact CG1-O 2.97Å; V514-L592 PolarHBondContact N-O 3.07Å; A563-L592 HydrophobicContact CB-CD1 3.48Å; A563-L592 VanDerWaalsContact CB-CD1 3.48Å; A563-L592 HydrophobicContact CB-CG 3.93Å; F564-L592 HydrophobicContact CD1-CD1 4.21Å; F564-L592 HydrophobicContact CE1-CD1 4.1Å; L567-L592 HydrophobicContact CD1-CD1 3.97Å; Y574-L592 HydrophobicContact CE1-CD2 3.99Å; L577-L592 HydrophobicContact CD1-CD2 3.9Å; L582-L592 HydrophobicContact CD2-CD2 3.49Å; L582-L592 VanDerWaalsContact CD2-CD2 3.49Å; L582-L592 HydrophobicContact CD2-CG 4.41Å; L592-F595 HydrophobicContact CB-CE2 4.36Å; L592-F595 HydrophobicContact CB-CZ 4.25Å
593	V	95.8	Very high	92.6	Very high	21 Å²	21	28.4 Å²	28.4	13%	0.127	16%	0.163	C	C	.	.			trans	-122.9	173.9	172.1	-60.9	0	0	0	0	110	V514 Y574 N581 I583	V514-V593 HydrophobicContact CB-CG1 3.93Å; V514-V593 HydrophobicContact CG1-CB 4.34Å; V514-V593 HydrophobicContact CG1-CG1 4.07Å; V514-V593 HydrophobicContact CG2-CG1 4.38Å; Y574-V593 PolarHBondContact OH-O 2.81Å; N581-V593 HydrophobicContact CB-CG2 4.36Å; N581-V593 WeakPolarHBondContact O-CG2 3.08Å; N581-V593 PolarHBondContact O-N 3.28Å; I583-V593 HydrophobicContact CB-CG1 4.15Å; I583-V593 HydrophobicContact CD1-CB 4.43Å; I583-V593 HydrophobicContact CD1-CG1 3.91Å; I583-V593 HydrophobicContact CD1-CG2 3.87Å; I583-V593 HydrophobicContact CG1-CG1 3.94Å; I583-V593 HydrophobicContact CG1-CG2 3.81Å
594	D	91.3	Very high	91.5	Very high	64 Å²	64	28.2 Å²	28.2	34%	0.342	17%	0.168	S	C	.	.			trans	56.1	95.2	177	-158.3	1.4	0	0	0	114.4	K482 Y574 G596	K482-D594 IonicContact NZ-OD1 2.61Å; K482-D594 PolarHBondContact NZ-OD1 3.09Å; Y574-D594 WeakPolarHBondContact CE2-O 3.32Å; Y574-D594 PolarHBondContact OH-O 2.82Å; D594-G596 PolarHBondContact OD1-N 2.87Å
595	F	93.8	Very high	90.8	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.194	C	C	.	.			trans	-102.9	18.8	-177.4	-78.2	-106.7	0	0	0	111.7	E501 I504 L505 L508 I513 V514 L567 Y574 L592 F597 A598	E501-F595 HydrophobicContact CG-CB 4.01Å; E501-F595 PolarHBondContact OE1-N 3.12Å; E501-F595 VanDerWaalsContact OE1-N 3.16Å; I504-F595 HydrophobicContact CG2-CD1 3.72Å; I504-F595 HydrophobicContact CG2-CE1 4.38Å; I504-F595 HydrophobicContact CG2-CG 4.46Å; L505-F595 HydrophobicContact CD2-CB 4.42Å; L505-F595 HydrophobicContact CD2-CD2 3.53Å; L505-F595 HydrophobicContact CD2-CE2 3.9Å; L505-F595 HydrophobicContact CD2-CG 3.95Å; L505-F595 HydrophobicContact CG-CB 4.19Å; L505-F595 HydrophobicContact CG-CD2 4.21Å; L505-F595 HydrophobicContact CG-CG 4.22Å; L508-F595 HydrophobicContact CD1-CD1 4.01Å; L508-F595 HydrophobicContact CD1-CE1 3.48Å; L508-F595 VanDerWaalsContact CD1-CE1 3.48Å; L508-F595 HydrophobicContact CD1-CZ 3.82Å; I513-F595 HydrophobicContact CD1-CZ 4.45Å; I513-F595 HydrophobicContact CG1-CZ 4.5Å; I513-F595 HydrophobicContact CG2-CE1 4.43Å; I513-F595 HydrophobicContact CG2-CE2 3.69Å; I513-F595 HydrophobicContact CG2-CZ 3.4Å; V514-F595 HydrophobicContact CG1-CE2 4.49Å; L567-F595 HydrophobicContact CD1-CE1 4.04Å; L567-F595 HydrophobicContact CD1-CZ 4.43Å; L567-F595 HydrophobicContact CD2-CE1 3.83Å; Y574-F595 HydrophobicContact CD2-CD1 4.18Å; Y574-F595 AromaticContact CD2-CE1 3.95Å; Y574-F595 HydrophobicContact CD2-CE1 3.95Å; Y574-F595 HydrophobicContact CD2-CZ 4.27Å; Y574-F595 HydrophobicContact CE2-CD1 4.31Å; Y574-F595 HydrophobicContact CE2-CD2 4.35Å; Y574-F595 HydrophobicContact CE2-CE1 4.17Å; Y574-F595 HydrophobicContact CE2-CE2 4.23Å; Y574-F595 HydrophobicContact CE2-CG 4.39Å; Y574-F595 HydrophobicContact CE2-CZ 4.12Å; L592-F595 HydrophobicContact CB-CE2 4.36Å; L592-F595 HydrophobicContact CB-CZ 4.25Å; F595-F597 PolarHBondContact O-N 3.41Å; F595-A598 HydrophobicContact CB-CB 3.96Å; F595-A598 HydrophobicContact CD1-CB 3.6Å; F595-A598 HydrophobicContact CG-CB 4.22Å; F595-A598 WeakPolarHBondContact O-CB 3.3Å; F595-A598 PolarHBondContact O-N 3.41Å
596	G	88.1	Confident	90.5	Very high	13 Å²	13	35 Å²	35	13%	0.134	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.4	-177.9	0	0	0	0	0	114.7	D594	D594-G596 PolarHBondContact OD1-N 2.87Å
597	F	90.3	Very high	90.2	Very high	24 Å²	24	33 Å²	33	11%	0.105	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	2.2	172	-59	-20.6	0	0	0	113.2	V125 Y574 R575 D576 F595 C611	V125-F597 WeakPolarHBondContact O-CZ 3.32Å; Y574-F597 CarbonylContact O-C 3.41Å; R575-F597 HydrophobicContact CB-CB 4.28Å; R575-F597 PolarHBondContact NE-O 3Å; R575-F597 PolarHBondContact NH2-O 3.09Å; D576-F597 HydrophobicContact CB-CB 4.35Å; D576-F597 HydrophobicContact CB-CD2 3.68Å; D576-F597 HydrophobicContact CB-CE2 4.43Å; D576-F597 HydrophobicContact CB-CG 4.43Å; F595-F597 PolarHBondContact O-N 3.41Å; F597-C611 HydrophobicContact CD1-CB 4.41Å; F597-C611 HydrophobicContact CD2-CB 4.25Å; F597-C611 HydrophobicContact CG-CB 4.2Å
598	A	93.4	Very high	89.9	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.008	17%	0.169	C	C	.	.			trans	-68	150.1	175.6	0	0	0	0	0	110.5	I504 I572 I573 F595	I504-A598 HydrophobicContact CD1-CB 3.76Å; I504-A598 HydrophobicContact CG2-CB 4.43Å; I572-A598 HydrophobicContact CG2-CB 4.3Å; I573-A598 CarbonylContact O-C 3.59Å; I573-A598 WeakPolarHBondContact O-CA 3.08Å; F595-A598 HydrophobicContact CB-CB 3.96Å; F595-A598 HydrophobicContact CD1-CB 3.6Å; F595-A598 HydrophobicContact CG-CB 4.22Å; F595-A598 WeakPolarHBondContact O-CB 3.3Å; F595-A598 PolarHBondContact O-N 3.41Å
599	K	92.3	Very high	89.2	Confident	45 Å²	45	31.3 Å²	31.3	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.8	178.3	-171.7	166.3	-175.1	168.3	0	111.1	I572 I573 I601 T607	I572-K599 CarbonylContact C-O 3.49Å; I572-K599 WeakPolarHBondContact CA-O 3.33Å; I573-K599 HydrophobicContact CG2-CB 3.91Å; I573-K599 WeakPolarHBondContact CG2-O 3.27Å; I573-K599 PolarHBondContact N-O 3.22Å; I573-K599 PolarHBondContact O-N 2.9Å; K599-I601 HydrophobicContact CG-CG2 4.33Å; K599-T607 PolarHBondContact NZ-OG1 3.2Å
600	K	90.3	Very high	88.7	Confident	111 Å²	111	31.2 Å²	31.2	48%	0.483	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.2	169	-158.1	166.4	-170.2	166.4	0	108.9	E507 G571 I572	E507-K600 IonicContact OE1-NZ 2.71Å; E507-K600 IonicContact OE2-NZ 2.72Å; E507-K600 PolarHBondContact OE2-NZ 2.9Å; G571-K600 CarbonylContact O-C 3.58Å; G571-K600 WeakPolarHBondContact O-CA 3.33Å; I572-K600 HydrophobicContact CG1-CG 4.29Å
601	I	89	Confident	88.2	Confident	14 Å²	14	31.4 Å²	31.4	7%	0.072	17%	0.173	C	C	.	.			trans	-124.7	141.3	176.5	64.1	177.6	0	0	0	109.5	G571 I573 K599 T607 D628 F629	G571-I601 PolarHBondContact O-N 3.35Å; I573-I601 HydrophobicContact CB-CD1 4.44Å; I573-I601 HydrophobicContact CG2-CG2 4.29Å; K599-I601 HydrophobicContact CG-CG2 4.33Å; I601-T607 HydrophobicContact CG2-CG2 4.41Å; I601-D628 HydrophobicContact CD1-CB 4.09Å; I601-F629 HydrophobicContact CD1-CD1 4.2Å; I601-F629 HydrophobicContact CD1-CD2 4.37Å; I601-F629 HydrophobicContact CD1-CE1 3.76Å; I601-F629 HydrophobicContact CD1-CE2 3.97Å; I601-F629 HydrophobicContact CD1-CG 4.48Å; I601-F629 HydrophobicContact CD1-CZ 3.63Å; I601-F629 HydrophobicContact CG1-CE1 3.65Å; I601-F629 HydrophobicContact CG1-CE2 4.12Å; I601-F629 HydrophobicContact CG1-CZ 3.38Å
602	G	78.6	Confident	87.8	Confident	29 Å²	29	31.3 Å²	31.3	30%	0.299	17%	0.173	S	C	.	.			trans	-69.9	163.4	176.8	0	0	0	0	0	112.6	G604 Q605	G602-G604 PolarHBondContact O-N 3.35Å; G602-Q605 VanDerWaalsContact N-OE1 3.17Å; G602-Q605 WeakPolarHBondContact O-CB 3.27Å; G602-Q605 PolarHBondContact O-N 3.48Å
603	S	75.7	Confident	87.5	Confident	81 Å²	81	31.2 Å²	31.2	57%	0.566	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	130.1	174.5	-173	0	0	0	0	111	Q605	S603-Q605 PolarHBondContact O-N 2.95Å
604	G	75.4	Confident	87.3	Confident	22 Å²	22	30.4 Å²	30.4	23%	0.227	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	7.9	-176.9	0	0	0	0	0	114.9	T296 G602	T296-G604 WeakPolarHBondContact OG1-CA 3.44Å; T296-G604 PolarHBondContact OG1-O 2.91Å; G602-G604 PolarHBondContact O-N 3.35Å
605	Q	83.1	Confident	87.5	Confident	116 Å²	116	29.1 Å²	29.1	54%	0.542	16%	0.16	S	C	.	.			trans	-95.2	150.6	176.6	-62.9	-171.6	-25.2	0	0	111.5	G602 S603	G602-Q605 VanDerWaalsContact N-OE1 3.17Å; G602-Q605 WeakPolarHBondContact O-CB 3.27Å; G602-Q605 PolarHBondContact O-N 3.48Å; S603-Q605 PolarHBondContact O-N 2.95Å
606	K	87.4	Confident	87.7	Confident	33 Å²	33	29.2 Å²	29.2	14%	0.143	16%	0.16	C	C	.	.			trans	-113.1	162.7	173.4	-67.1	178.3	-178.7	173	0	110.4	D274 D300 W608 H627	D274-K606 IonicContact OD2-NZ 3.05Å; D300-K606 IonicContact OD1-NZ 2.65Å; D300-K606 PolarHBondContact OD1-NZ 3.34Å; D300-K606 VanDerWaalsContact OD2-CE 3.24Å; D300-K606 WeakPolarHBondContact OD2-CE 3.31Å; D300-K606 IonicContact OD2-NZ 3.04Å; D300-K606 PolarHBondContact OD2-NZ 2.87Å; K606-W608 HydrophobicContact CB-CH2 3.97Å; K606-W608 HydrophobicContact CB-CZ2 4.15Å; K606-W608 HydrophobicContact CB-CZ3 4.34Å; K606-W608 WeakPolarHBondContact O-CZ3 3.35Å; K606-H627 WeakPolarHBondContact CA-O 3.41Å
607	T	87.4	Confident	88.1	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.037	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-119.2	157.7	166.3	-174.6	0	0	0	0	109.9	K599 I601 G626 H627	K599-T607 PolarHBondContact NZ-OG1 3.2Å; I601-T607 HydrophobicContact CG2-CG2 4.41Å; T607-G626 CarbonylContact O-C 3.59Å; T607-G626 WeakPolarHBondContact O-CA 3.06Å; T607-H627 VanDerWaalsContact CG2-NE2 3.3Å; T607-H627 WeakPolarHBondContact CG2-NE2 3.3Å; T607-H627 PolarHBondContact N-O 2.97Å; T607-H627 PolarHBondContact O-CE1 3.2Å; T607-H627 VanDerWaalsContact O-CE1 3.3Å; T607-H627 PolarHBondContact O-N 2.79Å; T607-H627 PolarHBondContact O-ND1 3.46Å
608	W	86.1	Confident	88.4	Confident	50 Å²	50	27.8 Å²	27.8	19%	0.189	15%	0.151	C	C	.	.			trans	-122	2.5	-173.6	-70.6	-96.4	0	0	0	113.4	R267 Q271 K606 F610 N624	R267-W608 HydrophobicContact CB-CG 4.26Å; R267-W608 HydrophobicContact CG-CD2 3.84Å; R267-W608 HydrophobicContact CG-CE3 4.21Å; R267-W608 HydrophobicContact CG-CG 3.99Å; Q271-W608 HydrophobicContact CG-CH2 3.81Å; Q271-W608 HydrophobicContact CG-CZ2 3.68Å; K606-W608 HydrophobicContact CB-CH2 3.97Å; K606-W608 HydrophobicContact CB-CZ2 4.15Å; K606-W608 HydrophobicContact CB-CZ3 4.34Å; K606-W608 WeakPolarHBondContact O-CZ3 3.35Å; W608-F610 PolarHBondContact O-N 2.89Å; W608-N624 PolarHBondContact O-OD1 3.48Å; W608-N624 VanDerWaalsContact O-OD1 3.07Å
609	T	82.7	Confident	88.5	Confident	13 Å²	13	28 Å²	28	8%	0.08	15%	0.152	C	C	.	.			trans	-61.8	119.8	174.7	-68.1	0	0	0	0	110.2	E128 C611 H627	E128-T609 HydrophobicContact CB-CG2 4.32Å; E128-T609 HydrophobicContact CG-CG2 3.07Å; E128-T609 WeakPolarHBondContact CG-OG1 3.41Å; E128-T609 PolarHBondContact OE2-OG1 3.42Å; T609-C611 HydrophobicContact CG2-CB 3.7Å; T609-C611 PolarHBondContact O-N 3.25Å; T609-H627 PolarHBondContact O-CE1 3.49Å; T609-H627 PolarHBondContact O-NE2 2.87Å
610	F	86.2	Confident	88.5	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.022	14%	0.144	C	C	.	.			trans	-71	113.1	162.3	-173.6	-69.9	0	0	0	108.8	V125 S126 A127 L237 Y238 W608 V621 I622 Y659	V125-F610 HydrophobicContact CG2-CD1 4.41Å; V125-F610 HydrophobicContact CG2-CE1 3.77Å; S126-F610 CarbonylContact C-O 3.59Å; S126-F610 WeakPolarHBondContact CA-O 3.41Å; A127-F610 HydrophobicContact CB-CB 3.8Å; A127-F610 WeakPolarHBondContact CB-O 3.31Å; A127-F610 PolarHBondContact N-O 3.38Å; L237-F610 HydrophobicContact CB-CD2 4.07Å; L237-F610 HydrophobicContact CB-CE2 4.01Å; L237-F610 HydrophobicContact CB-CG 4.44Å; L237-F610 HydrophobicContact CB-CZ 4.39Å; L237-F610 HydrophobicContact CD1-CE2 4.12Å; L237-F610 HydrophobicContact CD2-CD2 4.27Å; L237-F610 HydrophobicContact CD2-CE2 4.29Å; L237-F610 HydrophobicContact CG-CE2 4.38Å; L237-F610 WeakPolarHBondContact O-CB 3.44Å; Y238-F610 AromaticContact CD1-CD1 3.49Å; Y238-F610 HydrophobicContact CD1-CD1 3.49Å; Y238-F610 VanDerWaalsContact CD1-CD1 3.49Å; Y238-F610 AromaticContact CD1-CE1 3.14Å; Y238-F610 HydrophobicContact CD1-CE1 3.14Å; Y238-F610 HydrophobicContact CD1-CE2 4.48Å; Y238-F610 HydrophobicContact CD1-CG 4.34Å; Y238-F610 AromaticContact CD1-CZ 3.71Å; Y238-F610 HydrophobicContact CD1-CZ 3.71Å; Y238-F610 HydrophobicContact CE1-CD1 4.37Å; Y238-F610 AromaticContact CE1-CE1 3.58Å; Y238-F610 HydrophobicContact CE1-CE1 3.58Å; Y238-F610 AromaticContact CE1-CZ 3.87Å; Y238-F610 HydrophobicContact CE1-CZ 3.87Å; Y238-F610 AromaticContact CG-CD1 3.93Å; Y238-F610 HydrophobicContact CG-CD1 3.93Å; Y238-F610 AromaticContact CG-CE1 3.91Å; Y238-F610 HydrophobicContact CG-CE1 3.91Å; W608-F610 PolarHBondContact O-N 2.89Å; F610-V621 HydrophobicContact CD2-CG1 4.19Å; F610-V621 WeakPolarHBondContact CD2-O 3.33Å; F610-V621 HydrophobicContact CG-CG1 4.36Å; F610-I622 HydrophobicContact CE2-CB 4.47Å; F610-I622 HydrophobicContact CE2-CG1 4.24Å; F610-Y659 HydrophobicContact CZ-CE1 4.13Å; F610-Y659 HydrophobicContact CZ-CE2 4.21Å; F610-Y659 AromaticContact CZ-CZ 3.74Å
611	C	88	Confident	88.6	Confident	5 Å²	5	21.2 Å²	21.2	3%	0.034	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	171.2	173	63.6	0	0	0	0	111.7	V125 R575 F597 T609	V125-C611 CarbonylContact O-C 3.59Å; V125-C611 WeakPolarHBondContact O-CA 3.49Å; V125-C611 WeakPolarHBondContact O-CB 3.47Å; R575-C611 PolarHBondContact NH1-SG 3.19Å; R575-C611 VanDerWaalsContact NH1-SG 3.38Å; F597-C611 HydrophobicContact CD1-CB 4.41Å; F597-C611 HydrophobicContact CD2-CB 4.25Å; F597-C611 HydrophobicContact CG-CB 4.2Å; T609-C611 HydrophobicContact CG2-CB 3.7Å; T609-C611 PolarHBondContact O-N 3.25Å
612	G	90.8	Very high	88.7	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.8	177.4	-179.9	0	0	0	0	0	112.5	V125 R575	V125-G612 WeakPolarHBondContact CG2-O 3.46Å; V125-G612 PolarHBondContact N-O 2.7Å; V125-G612 PolarHBondContact O-N 3.11Å; R575-G612 WeakPolarHBondContact O-CA 3.32Å
613	T	91.6	Very high	89	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.111	C	C	.	.			trans	-85.4	127.3	179.5	-61.7	0	0	0	0	110.3	K122 D576 K578 E615 Y616 V617	K122-T613 HydrophobicContact CB-CG2 3.48Å; K122-T613 VanDerWaalsContact CB-CG2 3.48Å; K122-T613 HydrophobicContact CD-CG2 4.15Å; K122-T613 HydrophobicContact CG-CG2 4.4Å; D576-T613 PolarHBondContact OD1-N 3.4Å; D576-T613 VanDerWaalsContact OD1-N 3.15Å; D576-T613 PolarHBondContact OD1-OG1 2.86Å; K578-T613 HydrophobicContact CD-CG2 4.25Å; K578-T613 WeakPolarHBondContact CD-OG1 3.44Å; K578-T613 PolarHBondContact NZ-OG1 2.9Å; T613-E615 VanDerWaalsContact C-N 3.29Å; T613-E615 PolarHBondContact O-N 3.09Å; T613-Y616 HydrophobicContact CG2-CD2 4.07Å; T613-Y616 WeakPolarHBondContact O-CA 3.43Å; T613-Y616 WeakPolarHBondContact O-CB 3.44Å; T613-Y616 PolarHBondContact O-N 2.95Å; T613-V617 WeakPolarHBondContact O-CG2 3.14Å; T613-V617 PolarHBondContact O-N 3.39Å
614	P	91.1	Very high	89.3	Confident	4 Å²	4	16.7 Å²	16.7	3%	0.026	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-41.5	-165.4	-32.1	35.9	0	0	0	116.7	V125 Y616 Q655 Y659 I662	V125-P614 HydrophobicContact CG1-CG 4.47Å; V125-P614 HydrophobicContact CG2-CG 4.4Å; P614-Y616 VanDerWaalsContact C-N 3.27Å; P614-Y616 PolarHBondContact O-N 3.38Å; P614-Q655 HydrophobicContact CB-CG 4.45Å; P614-Q655 HydrophobicContact CG-CG 4.28Å; P614-Y659 HydrophobicContact CB-CE1 3.88Å; P614-I662 VanDerWaalsContact O-CD1 3.32Å; P614-I662 WeakPolarHBondContact O-CD1 3.45Å
615	E	95.3	Very high	89.7	Confident	36 Å²	36	21.1 Å²	21.1	17%	0.168	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.2	-179.2	-59.6	86.1	166.4	0	0	113.6	T613 P648 T658	T613-E615 VanDerWaalsContact C-N 3.29Å; T613-E615 PolarHBondContact O-N 3.09Å; E615-P648 HydrophobicContact CB-CB 3.88Å; E615-P648 HydrophobicContact CB-CG 3.83Å; E615-P648 HydrophobicContact CG-CB 4.44Å; E615-P648 HydrophobicContact CG-CG 3.85Å; E615-T658 HydrophobicContact CG-CG2 4.18Å
616	Y	97.8	Very high	89.8	Confident	3 Å²	3	15.8 Å²	15.8	1%	0.012	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-11.7	-179.9	-71.6	-94.3	0	0	0	113.6	K122 L577 K578 P579 T613 P614 A618 W634 S635 I638 L639 E642	K122-Y616 HydrophobicContact CD-CE2 4.11Å; L577-Y616 WeakPolarHBondContact O-CD1 3.44Å; L577-Y616 WeakPolarHBondContact O-CE1 3.39Å; L577-Y616 VanDerWaalsContact O-CG 3.24Å; K578-Y616 HydrophobicContact CB-CD2 4.17Å; K578-Y616 HydrophobicContact CB-CE1 4.39Å; K578-Y616 HydrophobicContact CB-CE2 3.74Å; P579-Y616 WeakPolarHBondContact CD-OH 3.05Å; T613-Y616 HydrophobicContact CG2-CD2 4.07Å; T613-Y616 WeakPolarHBondContact O-CA 3.43Å; T613-Y616 WeakPolarHBondContact O-CB 3.44Å; T613-Y616 PolarHBondContact O-N 2.95Å; P614-Y616 VanDerWaalsContact C-N 3.27Å; P614-Y616 PolarHBondContact O-N 3.38Å; Y616-A618 PolarHBondContact O-N 3.19Å; Y616-W634 VanDerWaalsContact O-CD1 3.24Å; Y616-S635 PolarHBondContact O-OG 3.31Å; Y616-I638 HydrophobicContact CD1-CB 3.65Å; Y616-I638 HydrophobicContact CD1-CG1 4.47Å; Y616-I638 HydrophobicContact CD1-CG2 3.39Å; Y616-I638 HydrophobicContact CD2-CG2 4.31Å; Y616-I638 HydrophobicContact CE1-CB 3.84Å; Y616-I638 HydrophobicContact CE1-CG2 3.38Å; Y616-I638 HydrophobicContact CE2-CG2 4.33Å; Y616-I638 HydrophobicContact CG-CB 4.44Å; Y616-I638 HydrophobicContact CG-CG2 3.88Å; Y616-L639 HydrophobicContact CE1-CB 4.41Å; Y616-E642 PolarHBondContact OH-OE2 3.03Å
617	V	96.4	Very high	90	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.036	7%	0.07	C	C	.	.			trans	-66.3	132.4	-176.8	179.8	0	0	0	0	110.8	T613 V621 I622 W634	T613-V617 WeakPolarHBondContact O-CG2 3.14Å; T613-V617 PolarHBondContact O-N 3.39Å; V617-V621 HydrophobicContact CG1-CB 3.55Å; V617-V621 HydrophobicContact CG1-CG1 3.61Å; V617-V621 HydrophobicContact CG1-CG2 4.34Å; V617-I622 HydrophobicContact CG1-CD1 4.44Å; V617-I622 HydrophobicContact CG1-CG1 3.78Å; V617-W634 PolarHBondContact O-NE1 2.76Å
618	A	97.2	Very high	90.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.073	C	C	.	.			trans	-74.3	151.4	176.8	0	0	0	0	0	112.4	Y616 E620 V621 I622 V631 W634	Y616-A618 PolarHBondContact O-N 3.19Å; A618-E620 VanDerWaalsContact C-N 3.32Å; A618-E620 WeakPolarHBondContact CB-OE2 3.45Å; A618-E620 PolarHBondContact O-N 3.18Å; A618-V621 HydrophobicContact CB-CG2 4.27Å; A618-V621 WeakPolarHBondContact O-CB 3.48Å; A618-V621 PolarHBondContact O-N 2.95Å; A618-V621 VanDerWaalsContact O-N 3.08Å; A618-I622 PolarHBondContact O-N 2.65Å; A618-V631 HydrophobicContact CB-CB 4.02Å; A618-V631 HydrophobicContact CB-CG1 3.91Å; A618-W634 HydrophobicContact CB-CB 3.89Å; A618-W634 HydrophobicContact CB-CD2 4.13Å; A618-W634 HydrophobicContact CB-CG 3.66Å
619	P	95.4	Very high	90.7	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.032	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-35.4	-173.7	21.8	-33.1	0	0	0	114.3	V621 I622 L623 W634 I662 L663	P619-V621 VanDerWaalsContact C-N 3.32Å; P619-V621 PolarHBondContact O-N 3.33Å; P619-I622 WeakPolarHBondContact O-CB 3.32Å; P619-I622 PolarHBondContact O-N 2.96Å; P619-L623 WeakPolarHBondContact O-CB 3.12Å; P619-L623 VanDerWaalsContact O-CG 3.31Å; P619-L623 WeakPolarHBondContact O-CG 3.36Å; P619-L623 PolarHBondContact O-N 3.46Å; P619-W634 HydrophobicContact CG-CE3 4.23Å; P619-W634 HydrophobicContact CG-CH2 4.12Å; P619-W634 HydrophobicContact CG-CZ3 3.85Å; P619-I662 HydrophobicContact CB-CG2 4.18Å; P619-L663 HydrophobicContact CB-CD2 3.99Å
620	E	93.4	Very high	91.3	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-69.5	-26.7	177.7	70.7	-82	-159.3	0	0	113.4	A618 N624 K625 H627 V631 P691 R694	A618-E620 VanDerWaalsContact C-N 3.32Å; A618-E620 WeakPolarHBondContact CB-OE2 3.45Å; A618-E620 PolarHBondContact O-N 3.18Å; E620-N624 PolarHBondContact O-N 2.87Å; E620-K625 HydrophobicContact CB-CB 4.34Å; E620-K625 PolarHBondContact O-N 3.28Å; E620-H627 HydrophobicContact CG-CB 3.93Å; E620-V631 HydrophobicContact CG-CG1 4.5Å; E620-V631 VanDerWaalsContact OE1-CG1 3.28Å; E620-V631 WeakPolarHBondContact OE1-CG1 3.31Å; E620-P691 HydrophobicContact CB-CG 4.26Å; E620-P691 HydrophobicContact CG-CG 4Å; E620-R694 VanDerWaalsContact CD-NH2 3.34Å; E620-R694 IonicContact OE1-CZ 2.82Å; E620-R694 IonicContact OE1-NH1 3.64Å; E620-R694 PolarHBondContact OE1-NH1 3.02Å; E620-R694 IonicContact OE1-NH2 3.13Å; E620-R694 PolarHBondContact OE1-NH2 3.24Å; E620-R694 IonicContact OE2-CZ 3.3Å; E620-R694 IonicContact OE2-NH1 3.73Å; E620-R694 PolarHBondContact OE2-NH1 2.98Å; E620-R694 IonicContact OE2-NH2 2.94Å; E620-R694 PolarHBondContact OE2-NH2 3.37Å
621	V	92.6	Very high	91.9	Very high	6 Å²	6	14.3 Å²	14.3	4%	0.036	7%	0.07	C	C	.	.	H	α-helix	trans	-70	-43.1	171.4	-178.8	0	0	0	0	109	F610 V617 A618 P619 N624 H627 V631	F610-V621 HydrophobicContact CD2-CG1 4.19Å; F610-V621 WeakPolarHBondContact CD2-O 3.33Å; F610-V621 HydrophobicContact CG-CG1 4.36Å; V617-V621 HydrophobicContact CG1-CB 3.55Å; V617-V621 HydrophobicContact CG1-CG1 3.61Å; V617-V621 HydrophobicContact CG1-CG2 4.34Å; A618-V621 HydrophobicContact CB-CG2 4.27Å; A618-V621 WeakPolarHBondContact O-CB 3.48Å; A618-V621 PolarHBondContact O-N 2.95Å; A618-V621 VanDerWaalsContact O-N 3.08Å; P619-V621 VanDerWaalsContact C-N 3.32Å; P619-V621 PolarHBondContact O-N 3.33Å; V621-N624 PolarHBondContact O-N 3.1Å; V621-H627 HydrophobicContact CG2-CB 4.02Å; V621-V631 HydrophobicContact CG2-CG1 3.68Å
622	I	89.8	Confident	92.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-46.3	176.6	-59.3	168.4	0	0	0	111.1	F168 F610 V617 A618 P619 N624 Y659 I662 L663	F168-I622 HydrophobicContact CD2-CG2 4.18Å; F168-I622 HydrophobicContact CE2-CG2 3.99Å; F168-I622 VanDerWaalsContact CE2-O 3.23Å; F168-I622 WeakPolarHBondContact CE2-O 3.41Å; F610-I622 HydrophobicContact CE2-CB 4.47Å; F610-I622 HydrophobicContact CE2-CG1 4.24Å; V617-I622 HydrophobicContact CG1-CD1 4.44Å; V617-I622 HydrophobicContact CG1-CG1 3.78Å; A618-I622 PolarHBondContact O-N 2.65Å; P619-I622 WeakPolarHBondContact O-CB 3.32Å; P619-I622 PolarHBondContact O-N 2.96Å; I622-N624 PolarHBondContact O-N 2.79Å; I622-Y659 HydrophobicContact CD1-CD1 3.59Å; I622-Y659 HydrophobicContact CD1-CE1 4.45Å; I622-Y659 HydrophobicContact CD1-CG 4.05Å; I622-Y659 HydrophobicContact CG1-CD1 4.01Å; I622-Y659 HydrophobicContact CG1-CG 4.41Å; I622-Y659 HydrophobicContact CG2-CG 4.41Å; I622-I662 HydrophobicContact CD1-CB 3.92Å; I622-I662 HydrophobicContact CD1-CD1 3.98Å; I622-I662 HydrophobicContact CD1-CG2 3.58Å; I622-L663 HydrophobicContact CB-CD2 4.37Å; I622-L663 HydrophobicContact CG2-CD1 3.97Å; I622-L663 HydrophobicContact CG2-CD2 4.3Å; I622-L663 HydrophobicContact CG2-CG 4.3Å
623	L	85.8	Confident	92.8	Very high	20 Å²	20	14.3 Å²	14.3	11%	0.105	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.5	179.2	-63.3	173.3	0	0	0	113.5	F168 R171 P619 K625 L663	F168-L623 HydrophobicContact CE2-CD2 4.31Å; R171-L623 HydrophobicContact CB-CD2 3.89Å; P619-L623 WeakPolarHBondContact O-CB 3.12Å; P619-L623 VanDerWaalsContact O-CG 3.31Å; P619-L623 WeakPolarHBondContact O-CG 3.36Å; P619-L623 PolarHBondContact O-N 3.46Å; L623-K625 HydrophobicContact CB-CD 4.21Å; L623-K625 HydrophobicContact CB-CG 3.92Å; L623-K625 HydrophobicContact CD1-CD 4.34Å; L623-K625 PolarHBondContact O-N 2.95Å; L623-L663 HydrophobicContact CD1-CD2 3.91Å; L623-L663 HydrophobicContact CD2-CD1 4.25Å; L623-L663 HydrophobicContact CD2-CD2 3.88Å; L623-L663 HydrophobicContact CG-CD2 3.67Å
624	N	82.4	Confident	93.1	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.043	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39	-178.9	-157.4	13.4	0	0	0	113.7	M266 W608 E620 V621 I622 G626	M266-N624 HydrophobicContact CB-CB 4.13Å; M266-N624 WeakPolarHBondContact CB-ND2 3.35Å; M266-N624 HydrophobicContact CG-CB 4.15Å; W608-N624 PolarHBondContact O-OD1 3.48Å; W608-N624 VanDerWaalsContact O-OD1 3.07Å; E620-N624 PolarHBondContact O-N 2.87Å; V621-N624 PolarHBondContact O-N 3.1Å; I622-N624 PolarHBondContact O-N 2.79Å; N624-G626 PolarHBondContact O-N 2.99Å
625	K	82.8	Confident	93.5	Very high	115 Å²	115	14.3 Å²	14.3	50%	0.5	7%	0.069	S	C	.	.	S	Bend	trans	-80.8	4.9	-179.1	-71.6	-175.6	172.9	-174.2	0	113.5	E620 L623	E620-K625 HydrophobicContact CB-CB 4.34Å; E620-K625 PolarHBondContact O-N 3.28Å; L623-K625 HydrophobicContact CB-CD 4.21Å; L623-K625 HydrophobicContact CB-CG 3.92Å; L623-K625 HydrophobicContact CD1-CD 4.34Å; L623-K625 PolarHBondContact O-N 2.95Å
626	G	85.9	Confident	93.7	Very high	5 Å²	5	12.6 Å²	12.6	5%	0.052	6%	0.061	C	C	.	.			trans	76.6	146.1	-163.4	0	0	0	0	0	110.9	T607 N624	T607-G626 CarbonylContact O-C 3.59Å; T607-G626 WeakPolarHBondContact O-CA 3.06Å; N624-G626 PolarHBondContact O-N 2.99Å
627	H	91.9	Very high	93.7	Very high	5 Å²	5	12.4 Å²	12.4	2%	0.023	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-143.8	158.4	-178.2	58.4	-79.2	0	0	0	112.5	K606 T607 T609 E620 V621 V631	K606-H627 WeakPolarHBondContact CA-O 3.41Å; T607-H627 VanDerWaalsContact CG2-NE2 3.3Å; T607-H627 WeakPolarHBondContact CG2-NE2 3.3Å; T607-H627 PolarHBondContact N-O 2.97Å; T607-H627 PolarHBondContact O-CE1 3.2Å; T607-H627 VanDerWaalsContact O-CE1 3.3Å; T607-H627 PolarHBondContact O-N 2.79Å; T607-H627 PolarHBondContact O-ND1 3.46Å; T609-H627 PolarHBondContact O-CE1 3.49Å; T609-H627 PolarHBondContact O-NE2 2.87Å; E620-H627 HydrophobicContact CG-CB 3.93Å; V621-H627 HydrophobicContact CG2-CB 4.02Å; H627-V631 HydrophobicContact CB-CG1 3.57Å
628	D	92.7	Very high	93.8	Very high	21 Å²	21	12.1 Å²	12.1	11%	0.112	6%	0.059	C	C	.	.			trans	-137	-162.4	-178.2	69.2	6.7	0	0	0	110.6	I573 I601 S630 V631	I573-D628 WeakPolarHBondContact CD1-O 3.48Å; I601-D628 HydrophobicContact CD1-CB 4.09Å; D628-S630 PolarHBondContact O-N 2.84Å; D628-S630 WeakPolarHBondContact OD1-CB 3.01Å; D628-S630 PolarHBondContact OD1-N 3.07Å; D628-S630 PolarHBondContact OD1-OG 2.85Å; D628-V631 WeakPolarHBondContact O-CG2 3.38Å; D628-V631 PolarHBondContact O-N 3.4Å
629	F	94.8	Very high	93.9	Very high	43 Å²	43	12.1 Å²	12.1	19%	0.189	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-22.8	-179.3	-50.5	-64.7	0	0	0	115	H568 I573 I601 V631 D632	H568-F629 HydrophobicContact CB-CD1 4.25Å; H568-F629 HydrophobicContact CB-CG 4.44Å; H568-F629 AromaticContact CD2-CD1 3.63Å; H568-F629 AromaticContact CG-CD1 3.95Å; I573-F629 HydrophobicContact CB-CD1 4.07Å; I573-F629 HydrophobicContact CB-CE1 4.34Å; I601-F629 HydrophobicContact CD1-CD1 4.2Å; I601-F629 HydrophobicContact CD1-CD2 4.37Å; I601-F629 HydrophobicContact CD1-CE1 3.76Å; I601-F629 HydrophobicContact CD1-CE2 3.97Å; I601-F629 HydrophobicContact CD1-CG 4.48Å; I601-F629 HydrophobicContact CD1-CZ 3.63Å; I601-F629 HydrophobicContact CG1-CE1 3.65Å; I601-F629 HydrophobicContact CG1-CE2 4.12Å; I601-F629 HydrophobicContact CG1-CZ 3.38Å; F629-V631 PolarHBondContact O-N 3.27Å; F629-D632 WeakPolarHBondContact O-CB 3.39Å; F629-D632 PolarHBondContact O-N 2.73Å; F629-D632 VanDerWaalsContact O-N 3.13Å
630	S	96	Very high	94	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-19.2	-178.9	63.7	0	0	0	0	115.2	D628 D632 F633 W634 P691 R694	D628-S630 PolarHBondContact O-N 2.84Å; D628-S630 WeakPolarHBondContact OD1-CB 3.01Å; D628-S630 PolarHBondContact OD1-N 3.07Å; D628-S630 PolarHBondContact OD1-OG 2.85Å; S630-D632 VanDerWaalsContact C-N 3.29Å; S630-F633 PolarHBondContact O-N 3.32Å; S630-W634 PolarHBondContact O-N 2.91Å; S630-P691 WeakPolarHBondContact OG-CB 3.37Å; S630-R694 PolarHBondContact O-NH1 3.36Å; S630-R694 VanDerWaalsContact O-NH1 3.16Å
631	V	98.1	Very high	94.3	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.036	6%	0.059	C	C	.	.	H	α-helix	trans	-69.8	-28.2	174.5	-54.4	0	0	0	0	112.4	I573 R575 A618 E620 V621 H627 D628 F629 F633 W634 S635	I573-V631 HydrophobicContact CD1-CG2 3.6Å; I573-V631 HydrophobicContact CG1-CG2 3.99Å; R575-V631 HydrophobicContact CG-CG2 4.24Å; A618-V631 HydrophobicContact CB-CB 4.02Å; A618-V631 HydrophobicContact CB-CG1 3.91Å; E620-V631 HydrophobicContact CG-CG1 4.5Å; E620-V631 VanDerWaalsContact OE1-CG1 3.28Å; E620-V631 WeakPolarHBondContact OE1-CG1 3.31Å; V621-V631 HydrophobicContact CG2-CG1 3.68Å; H627-V631 HydrophobicContact CB-CG1 3.57Å; D628-V631 WeakPolarHBondContact O-CG2 3.38Å; D628-V631 PolarHBondContact O-N 3.4Å; F629-V631 PolarHBondContact O-N 3.27Å; V631-F633 VanDerWaalsContact C-N 3.33Å; V631-W634 WeakPolarHBondContact O-CB 3.5Å; V631-W634 PolarHBondContact O-N 3.49Å; V631-S635 PolarHBondContact O-N 3.45Å; V631-S635 PolarHBondContact O-OG 2.95Å
632	D	98.6	Very high	94.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-70.8	-35.2	177.8	-71.3	-24.3	0	0	0	109.6	F564 H568 Y574 R575 F629 S630 S635 L636	F564-D632 HydrophobicContact CD1-CB 4.48Å; F564-D632 HydrophobicContact CD2-CB 4.11Å; F564-D632 HydrophobicContact CE1-CB 4.13Å; F564-D632 HydrophobicContact CE2-CB 3.73Å; F564-D632 VanDerWaalsContact CE2-O 3.28Å; F564-D632 WeakPolarHBondContact CE2-O 3.49Å; F564-D632 HydrophobicContact CG-CB 4.46Å; F564-D632 HydrophobicContact CZ-CB 3.72Å; H568-D632 IonicContact CD2-OD2 3.32Å; H568-D632 IonicContact CE1-OD2 3.26Å; H568-D632 IonicContact NE2-OD2 2.7Å; H568-D632 PolarHBondContact NE2-OD2 3.31Å; Y574-D632 PolarHBondContact N-OD1 3.15Å; Y574-D632 PolarHBondContact N-OD2 2.89Å; R575-D632 PolarHBondContact N-OD1 3.31Å; F629-D632 WeakPolarHBondContact O-CB 3.39Å; F629-D632 PolarHBondContact O-N 2.73Å; F629-D632 VanDerWaalsContact O-N 3.13Å; S630-D632 VanDerWaalsContact C-N 3.29Å; D632-S635 PolarHBondContact O-N 3.06Å; D632-L636 PolarHBondContact O-N 2.87Å
633	F	98.6	Very high	95	Very high	5 Å²	5	12.3 Å²	12.3	2%	0.022	6%	0.058	C	C	.	.	H	α-helix	trans	-69.3	-38.4	173.7	-53.9	-44.6	0	0	0	112.6	H568 S630 V631 S635 L636 G637 L686 G696 N697 I702 I705	H568-F633 AromaticContact CE1-CE1 3.65Å; H568-F633 AromaticContact CE1-CZ 3.54Å; H568-F633 AromaticContact ND1-CE1 3.76Å; H568-F633 AromaticContact ND1-CZ 3.37Å; H568-F633 WeakPolarHBondContact ND1-CZ 3.4Å; S630-F633 PolarHBondContact O-N 3.32Å; V631-F633 VanDerWaalsContact C-N 3.33Å; F633-S635 VanDerWaalsContact C-N 3.34Å; F633-L636 WeakPolarHBondContact O-CB 3.23Å; F633-L636 PolarHBondContact O-N 2.86Å; F633-G637 PolarHBondContact O-N 3.26Å; F633-G637 VanDerWaalsContact O-N 3.13Å; F633-L686 HydrophobicContact CB-CD2 4.16Å; F633-G696 WeakPolarHBondContact CE2-O 3.26Å; F633-G696 WeakPolarHBondContact CZ-O 3.43Å; F633-N697 HydrophobicContact CD2-CB 4.24Å; F633-N697 HydrophobicContact CE2-CB 4.29Å; F633-I702 HydrophobicContact CE1-CB 4.4Å; F633-I702 HydrophobicContact CE1-CD1 3.94Å; F633-I702 HydrophobicContact CE1-CG1 3.98Å; F633-I705 HydrophobicContact CD1-CD1 3.64Å; F633-I705 HydrophobicContact CE1-CD1 4.08Å; F633-I705 HydrophobicContact CG-CD1 4.26Å
634	W	98.8	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56	-52.4	169.5	173	-82.7	0	0	0	110.4	Y616 V617 A618 P619 S630 V631 L636 G637 I638 F650 I662 C687	Y616-W634 VanDerWaalsContact O-CD1 3.24Å; V617-W634 PolarHBondContact O-NE1 2.76Å; A618-W634 HydrophobicContact CB-CB 3.89Å; A618-W634 HydrophobicContact CB-CD2 4.13Å; A618-W634 HydrophobicContact CB-CG 3.66Å; P619-W634 HydrophobicContact CG-CE3 4.23Å; P619-W634 HydrophobicContact CG-CH2 4.12Å; P619-W634 HydrophobicContact CG-CZ3 3.85Å; S630-W634 PolarHBondContact O-N 2.91Å; V631-W634 WeakPolarHBondContact O-CB 3.5Å; V631-W634 PolarHBondContact O-N 3.49Å; W634-L636 PolarHBondContact O-N 3.23Å; W634-G637 WeakPolarHBondContact O-CA 3.4Å; W634-G637 PolarHBondContact O-N 3.27Å; W634-I638 HydrophobicContact CZ2-CD1 4.39Å; W634-I638 PolarHBondContact O-N 3.4Å; W634-I638 VanDerWaalsContact O-N 3.12Å; W634-F650 HydrophobicContact CH2-CE2 4.07Å; W634-F650 HydrophobicContact CH2-CZ 4.35Å; W634-F650 HydrophobicContact CZ2-CD2 4.25Å; W634-F650 AromaticContact CZ2-CE2 3.6Å; W634-F650 HydrophobicContact CZ2-CE2 3.6Å; W634-F650 HydrophobicContact CZ2-CZ 4.3Å; W634-I662 HydrophobicContact CH2-CG2 4.28Å; W634-I662 HydrophobicContact CZ2-CG2 3.78Å; W634-C687 HydrophobicContact CD2-CB 4.48Å; W634-C687 HydrophobicContact CE3-CB 4.02Å; W634-C687 HydrophobicContact CH2-CB 4.22Å; W634-C687 VanDerWaalsContact CZ3-C 3.49Å; W634-C687 HydrophobicContact CZ3-CB 3.89Å; W634-C687 WeakPolarHBondContact CZ3-O 3.24Å
635	S	98.8	Very high	96.3	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-31.7	-179.9	-52.1	0	0	0	0	112.4	Y616 V631 D632 F633 I638 L639	Y616-S635 PolarHBondContact O-OG 3.31Å; V631-S635 PolarHBondContact O-N 3.45Å; V631-S635 PolarHBondContact O-OG 2.95Å; D632-S635 PolarHBondContact O-N 3.06Å; F633-S635 VanDerWaalsContact C-N 3.34Å; S635-I638 PolarHBondContact O-N 3.33Å; S635-L639 PolarHBondContact O-N 3.21Å
636	L	98.9	Very high	96.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.7	-39.3	173	-170.9	63.1	0	0	0	111.7	V557 V560 F564 L577 D632 F633 W634 L639 V640 L686 I705	V557-L636 HydrophobicContact CG1-CD1 4.11Å; V557-L636 HydrophobicContact CG1-CD2 4.49Å; V557-L636 HydrophobicContact CG1-CG 4.43Å; V560-L636 HydrophobicContact CB-CD1 4.09Å; V560-L636 HydrophobicContact CG1-CD1 3.74Å; F564-L636 HydrophobicContact CE2-CB 4.28Å; L577-L636 HydrophobicContact CD2-CB 4.29Å; L577-L636 HydrophobicContact CD2-CD1 4.16Å; D632-L636 PolarHBondContact O-N 2.87Å; F633-L636 WeakPolarHBondContact O-CB 3.23Å; F633-L636 PolarHBondContact O-N 2.86Å; W634-L636 PolarHBondContact O-N 3.23Å; L636-L639 HydrophobicContact CD1-CD2 4.31Å; L636-L639 WeakPolarHBondContact O-CB 3.35Å; L636-L639 PolarHBondContact O-N 2.88Å; L636-V640 WeakPolarHBondContact O-CG2 3.17Å; L636-V640 PolarHBondContact O-N 3.3Å; L636-L686 HydrophobicContact CB-CD1 4.4Å; L636-L686 HydrophobicContact CD2-CD1 4.38Å; L636-L686 HydrophobicContact CG-CD1 4.24Å; L636-I705 HydrophobicContact CD2-CD1 4.13Å; L636-I705 HydrophobicContact CD2-CG2 4.33Å
637	G	98.8	Very high	97.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.7	-41.9	174.3	0	0	0	0	0	112.4	F633 W634 L639 V640 Y641	F633-G637 PolarHBondContact O-N 3.26Å; F633-G637 VanDerWaalsContact O-N 3.13Å; W634-G637 WeakPolarHBondContact O-CA 3.4Å; W634-G637 PolarHBondContact O-N 3.27Å; G637-L639 VanDerWaalsContact C-N 3.35Å; G637-V640 PolarHBondContact O-N 3.32Å; G637-Y641 PolarHBondContact O-N 3.22Å; G637-Y641 VanDerWaalsContact O-N 3.13Å
638	I	98.7	Very high	97.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-45.7	172.4	-54.9	-54	0	0	0	110.6	Y616 W634 S635 V640 Y641 E642 P648 P649 F650	Y616-I638 HydrophobicContact CD1-CB 3.65Å; Y616-I638 HydrophobicContact CD1-CG1 4.47Å; Y616-I638 HydrophobicContact CD1-CG2 3.39Å; Y616-I638 HydrophobicContact CD2-CG2 4.31Å; Y616-I638 HydrophobicContact CE1-CB 3.84Å; Y616-I638 HydrophobicContact CE1-CG2 3.38Å; Y616-I638 HydrophobicContact CE2-CG2 4.33Å; Y616-I638 HydrophobicContact CG-CB 4.44Å; Y616-I638 HydrophobicContact CG-CG2 3.88Å; W634-I638 HydrophobicContact CZ2-CD1 4.39Å; W634-I638 PolarHBondContact O-N 3.4Å; W634-I638 VanDerWaalsContact O-N 3.12Å; S635-I638 PolarHBondContact O-N 3.33Å; I638-V640 PolarHBondContact O-N 3.13Å; I638-Y641 PolarHBondContact O-N 2.71Å; I638-E642 WeakPolarHBondContact O-CB 3.29Å; I638-E642 PolarHBondContact O-N 2.7Å; I638-P648 HydrophobicContact CG2-CB 4.17Å; I638-P649 HydrophobicContact CD1-CG 3.62Å; I638-F650 HydrophobicContact CD1-CD2 3.79Å; I638-F650 HydrophobicContact CD1-CE2 3.7Å
639	L	98.8	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.2	-45.5	176.8	-179.4	67.3	0	0	0	111.8	V560 L577 P579 L582 Y616 S635 L636 G637 Y641 E642 L643	V560-L639 HydrophobicContact CG2-CD2 3.98Å; L577-L639 HydrophobicContact CD1-CD2 4.18Å; L577-L639 HydrophobicContact CD2-CB 4.17Å; L577-L639 HydrophobicContact CD2-CD2 3.95Å; L577-L639 HydrophobicContact CG-CD2 4.25Å; P579-L639 HydrophobicContact CG-CD1 3.94Å; L582-L639 HydrophobicContact CD1-CD1 4.12Å; L582-L639 HydrophobicContact CD1-CD2 3.86Å; Y616-L639 HydrophobicContact CE1-CB 4.41Å; S635-L639 PolarHBondContact O-N 3.21Å; L636-L639 HydrophobicContact CD1-CD2 4.31Å; L636-L639 WeakPolarHBondContact O-CB 3.35Å; L636-L639 PolarHBondContact O-N 2.88Å; G637-L639 VanDerWaalsContact C-N 3.35Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 2.78Å; L639-E642 PolarHBondContact O-N 3.43Å; L639-L643 HydrophobicContact CD1-CD1 4.15Å; L639-L643 HydrophobicContact CD1-CD2 4.2Å; L639-L643 HydrophobicContact CD1-CG 3.97Å; L639-L643 HydrophobicContact CD2-CD1 4.41Å; L639-L643 HydrophobicContact CG-CD1 3.86Å; L639-L643 HydrophobicContact CG-CG 4.13Å; L639-L643 VanDerWaalsContact O-CG 3.22Å; L639-L643 WeakPolarHBondContact O-CG 3.22Å; L639-L643 PolarHBondContact O-N 2.94Å
640	V	98.8	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-45.9	178.5	178.3	0	0	0	0	110.7	V557 L636 G637 I638 L644 L682 I683 L686 W710	V557-V640 HydrophobicContact CG1-CG2 4.18Å; V557-V640 HydrophobicContact CG2-CB 4.48Å; V557-V640 HydrophobicContact CG2-CG2 3.55Å; L636-V640 WeakPolarHBondContact O-CG2 3.17Å; L636-V640 PolarHBondContact O-N 3.3Å; G637-V640 PolarHBondContact O-N 3.32Å; I638-V640 PolarHBondContact O-N 3.13Å; V640-L644 HydrophobicContact CG1-CD1 4.09Å; V640-L644 WeakPolarHBondContact O-CG 3.48Å; V640-L644 PolarHBondContact O-N 3.15Å; V640-L682 HydrophobicContact CG2-CD2 4.42Å; V640-I683 HydrophobicContact CB-CD1 4.36Å; V640-I683 HydrophobicContact CB-CG1 3.88Å; V640-I683 HydrophobicContact CG1-CD1 3.88Å; V640-I683 HydrophobicContact CG1-CG1 3.69Å; V640-L686 HydrophobicContact CG2-CD1 4.45Å; V640-W710 HydrophobicContact CG1-CH2 3.81Å; V640-W710 HydrophobicContact CG1-CZ2 4.36Å; V640-W710 HydrophobicContact CG1-CZ3 4.02Å; V640-W710 HydrophobicContact CG2-CZ3 4.29Å
641	Y	98.7	Very high	97.4	Very high	18 Å²	18	14.4 Å²	14.4	7%	0.071	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-46.4	177.5	-173.4	-76.9	0	0	0	111.4	G637 I638 L639 L644 T645 N647 P649 F671 P672 I675 I683	G637-Y641 PolarHBondContact O-N 3.22Å; G637-Y641 VanDerWaalsContact O-N 3.13Å; I638-Y641 PolarHBondContact O-N 2.71Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 2.78Å; Y641-L644 PolarHBondContact O-N 2.92Å; Y641-T645 HydrophobicContact CD1-CG2 4.2Å; Y641-T645 WeakPolarHBondContact CD1-OG1 3.2Å; Y641-T645 HydrophobicContact CE1-CG2 3.89Å; Y641-T645 VanDerWaalsContact CE1-OG1 3.29Å; Y641-T645 WeakPolarHBondContact CE1-OG1 3.18Å; Y641-T645 WeakPolarHBondContact O-CB 3.44Å; Y641-T645 WeakPolarHBondContact O-CG2 3.48Å; Y641-T645 PolarHBondContact O-N 3.47Å; Y641-T645 PolarHBondContact O-OG1 3.32Å; Y641-N647 VanDerWaalsContact CD1-O 3.23Å; Y641-N647 WeakPolarHBondContact CD1-O 3.22Å; Y641-N647 WeakPolarHBondContact CE1-O 3.32Å; Y641-P649 HydrophobicContact CD1-CB 3.77Å; Y641-P649 HydrophobicContact CD1-CG 4.08Å; Y641-P649 HydrophobicContact CD2-CB 3.84Å; Y641-P649 HydrophobicContact CD2-CG 4.38Å; Y641-P649 HydrophobicContact CE1-CB 3.85Å; Y641-P649 HydrophobicContact CE2-CB 3.9Å; Y641-P649 HydrophobicContact CG-CB 3.77Å; Y641-P649 HydrophobicContact CG-CG 3.96Å; Y641-F671 HydrophobicContact CD2-CD1 4.18Å; Y641-F671 AromaticContact CD2-CE1 3.69Å; Y641-F671 HydrophobicContact CD2-CE1 3.69Å; Y641-F671 HydrophobicContact CD2-CZ 4.08Å; Y641-F671 HydrophobicContact CE2-CD1 4.01Å; Y641-F671 AromaticContact CE2-CE1 3.91Å; Y641-F671 HydrophobicContact CE2-CE1 3.91Å; Y641-F671 HydrophobicContact CE2-CG 4.41Å; Y641-F671 HydrophobicContact CE2-CZ 4.22Å; Y641-P672 WeakPolarHBondContact OH-CD 3.25Å; Y641-I675 HydrophobicContact CD2-CD1 3.56Å; Y641-I675 HydrophobicContact CE2-CD1 3.6Å; Y641-I675 HydrophobicContact CG-CD1 4.22Å; Y641-I683 HydrophobicContact CD2-CD1 4.2Å
642	E	98.3	Very high	96.8	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-40	-177.5	-179.5	156.5	168.4	0	0	113	K122 L542 Y616 I638 L639 L644 T645 G646 N647 P648	K122-E642 IonicContact NZ-OE1 3.29Å; K122-E642 PolarHBondContact NZ-OE1 2.92Å; K122-E642 IonicContact NZ-OE2 3.75Å; K122-E642 PolarHBondContact NZ-OE2 2.67Å; L542-E642 HydrophobicContact CD2-CG 3.85Å; Y616-E642 PolarHBondContact OH-OE2 3.03Å; I638-E642 WeakPolarHBondContact O-CB 3.29Å; I638-E642 PolarHBondContact O-N 2.7Å; L639-E642 PolarHBondContact O-N 3.43Å; E642-L644 PolarHBondContact O-N 3.13Å; E642-T645 PolarHBondContact O-N 3.34Å; E642-G646 VanDerWaalsContact O-CA 3.26Å; E642-G646 WeakPolarHBondContact O-CA 3.45Å; E642-G646 PolarHBondContact O-N 2.85Å; E642-N647 WeakPolarHBondContact CA-O 3.45Å; E642-P648 WeakPolarHBondContact OE2-CB 3.39Å; E642-P648 WeakPolarHBondContact OE2-CD 3.34Å
643	L	98.6	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-38.8	174.5	-66.6	172.5	0	0	0	111	L538 L542 F548 C556 V557 L639	L538-L643 HydrophobicContact CD2-CD2 3.96Å; L542-L643 HydrophobicContact CD2-CD2 4.37Å; F548-L643 HydrophobicContact CD2-CB 4.37Å; F548-L643 HydrophobicContact CD2-CD2 3.71Å; F548-L643 HydrophobicContact CE2-CD2 3.71Å; F548-L643 PolarHBondContact N-O 3.04Å; C556-L643 HydrophobicContact CB-CD1 3.74Å; V557-L643 HydrophobicContact CG2-CD1 4.07Å; L639-L643 HydrophobicContact CD1-CD1 4.15Å; L639-L643 HydrophobicContact CD1-CD2 4.2Å; L639-L643 HydrophobicContact CD1-CG 3.97Å; L639-L643 HydrophobicContact CD2-CD1 4.41Å; L639-L643 HydrophobicContact CG-CD1 3.86Å; L639-L643 HydrophobicContact CG-CG 4.13Å; L639-L643 VanDerWaalsContact O-CG 3.22Å; L639-L643 WeakPolarHBondContact O-CG 3.22Å; L639-L643 PolarHBondContact O-N 2.94Å
644	L	98.4	Very high	95.1	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-79.1	-22.2	-178	-67.3	172.2	0	0	0	113.9	E550 S553 V640 Y641 E642 K674 I675 P679 W710	E550-L644 HydrophobicContact CG-CD2 4.06Å; S553-L644 WeakPolarHBondContact OG-CD2 3.38Å; V640-L644 HydrophobicContact CG1-CD1 4.09Å; V640-L644 WeakPolarHBondContact O-CG 3.48Å; V640-L644 PolarHBondContact O-N 3.15Å; Y641-L644 PolarHBondContact O-N 2.92Å; E642-L644 PolarHBondContact O-N 3.13Å; L644-K674 WeakPolarHBondContact O-CD 3.34Å; L644-K674 WeakPolarHBondContact O-CE 3.45Å; L644-K674 PolarHBondContact O-NZ 3.46Å; L644-I675 HydrophobicContact CB-CG1 4.29Å; L644-I675 HydrophobicContact CD1-CG1 4.47Å; L644-I675 HydrophobicContact CD1-CG2 4.38Å; L644-P679 HydrophobicContact CD1-CB 3.61Å; L644-P679 HydrophobicContact CD1-CG 4.13Å; L644-W710 HydrophobicContact CD1-CZ2 4.5Å
645	T	96.9	Very high	94.4	Very high	31 Å²	31	29.6 Å²	29.6	19%	0.19	17%	0.171	C	C	.	.	H	α-helix	trans	-124.1	-13.6	-171.3	63.4	0	0	0	0	115.1	Y641 E642 N647 P672 I675	Y641-T645 HydrophobicContact CD1-CG2 4.2Å; Y641-T645 WeakPolarHBondContact CD1-OG1 3.2Å; Y641-T645 HydrophobicContact CE1-CG2 3.89Å; Y641-T645 VanDerWaalsContact CE1-OG1 3.29Å; Y641-T645 WeakPolarHBondContact CE1-OG1 3.18Å; Y641-T645 WeakPolarHBondContact O-CB 3.44Å; Y641-T645 WeakPolarHBondContact O-CG2 3.48Å; Y641-T645 PolarHBondContact O-N 3.47Å; Y641-T645 PolarHBondContact O-OG1 3.32Å; E642-T645 PolarHBondContact O-N 3.34Å; T645-N647 VanDerWaalsContact C-N 3.27Å; T645-N647 PolarHBondContact O-N 3.43Å; T645-N647 PolarHBondContact OG1-N 3.32Å; T645-N647 PolarHBondContact OG1-O 3.03Å; T645-P672 HydrophobicContact CG2-CG 4.29Å; T645-I675 HydrophobicContact CG2-CD1 3.65Å; T645-I675 HydrophobicContact CG2-CG1 3.93Å
646	G	95.6	Very high	93.7	Very high	18 Å²	18	30.4 Å²	30.4	19%	0.186	17%	0.174	C	C	.	.	S	Bend	trans	83.6	-9.8	-174.8	0	0	0	0	0	115.2	G546 E642	G546-G646 WeakPolarHBondContact O-CA 3.04Å; E642-G646 VanDerWaalsContact O-CA 3.26Å; E642-G646 WeakPolarHBondContact O-CA 3.45Å; E642-G646 PolarHBondContact O-N 2.85Å
647	N	94.1	Very high	93.1	Very high	110 Å²	110	34.3 Å²	34.3	59%	0.588	19%	0.193	S	C	*	.	S	Bend	trans	-138.5	150.3	-176	-64.4	-82.1	0	0	0	110.7	Y641 E642 T645	Y641-N647 VanDerWaalsContact CD1-O 3.23Å; Y641-N647 WeakPolarHBondContact CD1-O 3.22Å; Y641-N647 WeakPolarHBondContact CE1-O 3.32Å; E642-N647 WeakPolarHBondContact CA-O 3.45Å; T645-N647 VanDerWaalsContact C-N 3.27Å; T645-N647 PolarHBondContact O-N 3.43Å; T645-N647 PolarHBondContact OG1-N 3.32Å; T645-N647 PolarHBondContact OG1-O 3.03Å
648	P	95.9	Very high	92.7	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.078	19%	0.194	C	C	.	.			trans	-67.3	153.2	174.5	27.9	-32.2	0	0	0	110.8	E615 I638 E642 F650	E615-P648 HydrophobicContact CB-CB 3.88Å; E615-P648 HydrophobicContact CB-CG 3.83Å; E615-P648 HydrophobicContact CG-CB 4.44Å; E615-P648 HydrophobicContact CG-CG 3.85Å; I638-P648 HydrophobicContact CG2-CB 4.17Å; E642-P648 WeakPolarHBondContact OE2-CB 3.39Å; E642-P648 WeakPolarHBondContact OE2-CD 3.34Å; P648-F650 PolarHBondContact O-N 3.01Å
649	P	96	Very high	92.3	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.071	20%	0.195	C	C	.	.	S	Bend	trans	-66	-38.8	-179.8	25.4	-30.3	0	0	0	111.7	I638 Y641 I666 M669	I638-P649 HydrophobicContact CD1-CG 3.62Å; Y641-P649 HydrophobicContact CD1-CB 3.77Å; Y641-P649 HydrophobicContact CD1-CG 4.08Å; Y641-P649 HydrophobicContact CD2-CB 3.84Å; Y641-P649 HydrophobicContact CD2-CG 4.38Å; Y641-P649 HydrophobicContact CE1-CB 3.85Å; Y641-P649 HydrophobicContact CE2-CB 3.9Å; Y641-P649 HydrophobicContact CG-CB 3.77Å; Y641-P649 HydrophobicContact CG-CG 3.96Å; P649-I666 HydrophobicContact CB-CD1 4.17Å; P649-M669 HydrophobicContact CB-CE 4.07Å; P649-M669 HydrophobicContact CB-SD 3.79Å; P649-M669 WeakPolarHBondContact O-CE 3.19Å; P649-M669 VanDerWaalsContact O-SD 3.37Å
650	F	95.8	Very high	91.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	20%	0.201	C	C	.	.			trans	-102	106.4	179.6	-48.3	-69.4	0	0	0	109.9	W634 I638 P648 L661 I662 I666 M669	W634-F650 HydrophobicContact CH2-CE2 4.07Å; W634-F650 HydrophobicContact CH2-CZ 4.35Å; W634-F650 HydrophobicContact CZ2-CD2 4.25Å; W634-F650 AromaticContact CZ2-CE2 3.6Å; W634-F650 HydrophobicContact CZ2-CE2 3.6Å; W634-F650 HydrophobicContact CZ2-CZ 4.3Å; I638-F650 HydrophobicContact CD1-CD2 3.79Å; I638-F650 HydrophobicContact CD1-CE2 3.7Å; P648-F650 PolarHBondContact O-N 3.01Å; F650-L661 HydrophobicContact CB-CB 4.25Å; F650-L661 HydrophobicContact CD1-CB 4.05Å; F650-I662 HydrophobicContact CB-CD1 4.45Å; F650-I662 HydrophobicContact CB-CG1 3.67Å; F650-I662 HydrophobicContact CD1-CG1 4.49Å; F650-I662 HydrophobicContact CD2-CG1 3.72Å; F650-I662 HydrophobicContact CG-CG1 3.71Å; F650-I666 HydrophobicContact CE1-CD1 4.32Å; F650-I666 HydrophobicContact CE2-CD1 4.24Å; F650-I666 HydrophobicContact CZ-CB 4.02Å; F650-I666 HydrophobicContact CZ-CD1 3.67Å; F650-I666 HydrophobicContact CZ-CG1 4.45Å; F650-M669 HydrophobicContact CD1-CG 4.48Å; F650-M669 HydrophobicContact CD1-SD 3.53Å; F650-M669 VanDerWaalsContact CD1-SD 3.53Å; F650-M669 HydrophobicContact CE1-CG 3.98Å; F650-M669 HydrophobicContact CE1-SD 3.36Å; F650-M669 WeakPolarHBondContact CE1-SD 3.43Å; F650-M669 HydrophobicContact CG-SD 4.43Å; F650-M669 HydrophobicContact CZ-SD 4.15Å
651	S	90.5	Very high	91.6	Very high	73 Å²	73	38 Å²	38	51%	0.51	21%	0.213	S	C	.	.			trans	-142.5	126.1	173.7	-170.6	0	0	0	0	110.3	L661	S651-L661 WeakPolarHBondContact O-CD1 3.38Å
652	G	86.2	Confident	91.4	Very high	20 Å²	20	37.2 Å²	37.2	21%	0.206	21%	0.21	C	C	.	.			trans	-116.1	172.3	176.3	0	0	0	0	0	112.3	D654 T658	G652-D654 PolarHBondContact O-N 2.67Å; G652-T658 PolarHBondContact N-OG1 3.26Å
653	I	81.3	Confident	91.1	Very high	164 Å²	164	37 Å²	37	84%	0.841	21%	0.209	S	C	*	.	S	Bend	trans	-63.1	-30.3	175.6	-60	167.9	0	0	0	110.9	M657	I653-M657 HydrophobicContact CB-SD 4.3Å; I653-M657 HydrophobicContact CD1-SD 4.42Å; I653-M657 HydrophobicContact CG1-SD 4.18Å
654	D	80.4	Confident	90.8	Very high	87 Å²	87	42.9 Å²	42.9	47%	0.465	23%	0.234	S	C	.	.	S	Bend	trans	-135.6	174.3	173.1	66.5	48.8	0	0	0	111.7	G652 M656 M657 T658	G652-D654 PolarHBondContact O-N 2.67Å; D654-M656 PolarHBondContact O-N 3.47Å; D654-M656 WeakPolarHBondContact OD1-CA 3.45Å; D654-M656 WeakPolarHBondContact OD1-CB 3.45Å; D654-M656 PolarHBondContact OD1-N 2.91Å; D654-M657 PolarHBondContact O-N 3.15Å; D654-M657 PolarHBondContact OD1-N 3.29Å; D654-T658 PolarHBondContact O-N 2.7Å; D654-T658 PolarHBondContact O-OG1 3.44Å
655	Q	84	Confident	90.6	Very high	58 Å²	58	42.7 Å²	42.7	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-35.3	-178.3	-69.3	168.5	-33.1	0	0	112.7	L234 Y238 P614 T658 Y659	L234-Q655 HydrophobicContact CD1-CB 4.44Å; L234-Q655 HydrophobicContact CD2-CB 4.26Å; Y238-Q655 PolarHBondContact OH-NE2 3.33Å; Y238-Q655 PolarHBondContact OH-OE1 2.9Å; P614-Q655 HydrophobicContact CB-CG 4.45Å; P614-Q655 HydrophobicContact CG-CG 4.28Å; Q655-T658 WeakPolarHBondContact O-CB 3.29Å; Q655-T658 PolarHBondContact O-N 2.84Å; Q655-Y659 HydrophobicContact CB-CE2 4.12Å; Q655-Y659 WeakPolarHBondContact O-CD2 3.03Å; Q655-Y659 PolarHBondContact O-N 3.12Å
656	M	82.8	Confident	90.5	Very high	22 Å²	22	41.3 Å²	41.3	11%	0.108	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-41.6	177.3	-80.7	-56.7	-66.2	0	0	111.5	F168 E233 L234 D654 T658 Y659 N660	F168-M656 HydrophobicContact CB-CE 4Å; E233-M656 HydrophobicContact CG-CE 3.62Å; E233-M656 HydrophobicContact CG-CG 4.45Å; E233-M656 HydrophobicContact CG-SD 3.86Å; L234-M656 HydrophobicContact CD1-CG 3.82Å; L234-M656 HydrophobicContact CD2-CG 3.54Å; L234-M656 HydrophobicContact CD2-SD 3.28Å; L234-M656 WeakPolarHBondContact CD2-SD 3.46Å; L234-M656 HydrophobicContact CG-CG 3.44Å; L234-M656 VanDerWaalsContact CG-CG 3.44Å; L234-M656 HydrophobicContact CG-SD 3.61Å; D654-M656 PolarHBondContact O-N 3.47Å; D654-M656 WeakPolarHBondContact OD1-CA 3.45Å; D654-M656 WeakPolarHBondContact OD1-CB 3.45Å; D654-M656 PolarHBondContact OD1-N 2.91Å; M656-T658 VanDerWaalsContact C-N 3.28Å; M656-T658 PolarHBondContact O-N 3.39Å; M656-Y659 PolarHBondContact O-N 3.03Å; M656-Y659 HydrophobicContact SD-CD2 4.23Å; M656-N660 WeakPolarHBondContact O-CB 3.38Å; M656-N660 VanDerWaalsContact O-CG 3.26Å; M656-N660 PolarHBondContact O-N 2.89Å; M656-N660 PolarHBondContact O-ND2 3.45Å; M656-N660 VanDerWaalsContact O-ND2 3.14Å
657	M	86.2	Confident	90.3	Very high	83 Å²	83	44.7 Å²	44.7	41%	0.409	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-42	174.7	-173.8	176.5	-178.2	0	0	110.6	I653 D654 N660 L661	I653-M657 HydrophobicContact CB-SD 4.3Å; I653-M657 HydrophobicContact CD1-SD 4.42Å; I653-M657 HydrophobicContact CG1-SD 4.18Å; D654-M657 PolarHBondContact O-N 3.15Å; D654-M657 PolarHBondContact OD1-N 3.29Å; M657-N660 PolarHBondContact O-N 2.92Å; M657-L661 WeakPolarHBondContact O-CG 3.37Å; M657-L661 PolarHBondContact O-N 3.08Å
658	T	90.9	Very high	90.1	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-49.8	174.2	-57	0	0	0	0	111.4	E615 G652 D654 Q655 M656 N660 L661 I662	E615-T658 HydrophobicContact CG-CG2 4.18Å; G652-T658 PolarHBondContact N-OG1 3.26Å; D654-T658 PolarHBondContact O-N 2.7Å; D654-T658 PolarHBondContact O-OG1 3.44Å; Q655-T658 WeakPolarHBondContact O-CB 3.29Å; Q655-T658 PolarHBondContact O-N 2.84Å; M656-T658 VanDerWaalsContact C-N 3.28Å; M656-T658 PolarHBondContact O-N 3.39Å; T658-N660 VanDerWaalsContact C-N 3.34Å; T658-N660 PolarHBondContact O-N 3.49Å; T658-L661 WeakPolarHBondContact O-CB 3.39Å; T658-L661 PolarHBondContact O-N 3.21Å; T658-L661 VanDerWaalsContact O-N 3.16Å; T658-I662 HydrophobicContact CG2-CD1 4.12Å; T658-I662 WeakPolarHBondContact O-CG1 3.19Å; T658-I662 PolarHBondContact O-N 3.39Å
659	Y	90.7	Very high	89.8	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-39.6	176.3	-60.7	-32.5	0	0	0	112.7	L234 L237 Y238 F610 P614 I622 Q655 M656 L661 I662 L663	L234-Y659 HydrophobicContact CD2-CD2 4.01Å; L234-Y659 HydrophobicContact CD2-CE2 3.65Å; L237-Y659 HydrophobicContact CD1-CD2 4.13Å; L237-Y659 HydrophobicContact CD1-CE2 4.18Å; Y238-Y659 AromaticContact CE1-CE2 3.97Å; Y238-Y659 HydrophobicContact CE1-CE2 3.97Å; Y238-Y659 WeakPolarHBondContact CE1-OH 3.1Å; Y238-Y659 PolarHBondContact OH-OH 3.5Å; F610-Y659 HydrophobicContact CZ-CE1 4.13Å; F610-Y659 HydrophobicContact CZ-CE2 4.21Å; F610-Y659 AromaticContact CZ-CZ 3.74Å; P614-Y659 HydrophobicContact CB-CE1 3.88Å; I622-Y659 HydrophobicContact CD1-CD1 3.59Å; I622-Y659 HydrophobicContact CD1-CE1 4.45Å; I622-Y659 HydrophobicContact CD1-CG 4.05Å; I622-Y659 HydrophobicContact CG1-CD1 4.01Å; I622-Y659 HydrophobicContact CG1-CG 4.41Å; I622-Y659 HydrophobicContact CG2-CG 4.41Å; Q655-Y659 HydrophobicContact CB-CE2 4.12Å; Q655-Y659 WeakPolarHBondContact O-CD2 3.03Å; Q655-Y659 PolarHBondContact O-N 3.12Å; M656-Y659 PolarHBondContact O-N 3.03Å; M656-Y659 HydrophobicContact SD-CD2 4.23Å; Y659-L661 VanDerWaalsContact C-N 3.31Å; Y659-L661 PolarHBondContact O-N 3.29Å; Y659-I662 HydrophobicContact CD1-CD1 4.24Å; Y659-I662 PolarHBondContact O-N 3.07Å; Y659-L663 WeakPolarHBondContact O-CB 3.49Å; Y659-L663 VanDerWaalsContact O-CG 3.22Å; Y659-L663 WeakPolarHBondContact O-CG 3.38Å; Y659-L663 PolarHBondContact O-N 2.9Å
660	N	88.7	Confident	89.6	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.128	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-35.7	176	-75.5	-35.8	0	0	0	112.3	Q167 M656 M657 T658 K664	Q167-N660 PolarHBondContact OE1-ND2 2.76Å; M656-N660 WeakPolarHBondContact O-CB 3.38Å; M656-N660 VanDerWaalsContact O-CG 3.26Å; M656-N660 PolarHBondContact O-N 2.89Å; M656-N660 PolarHBondContact O-ND2 3.45Å; M656-N660 VanDerWaalsContact O-ND2 3.14Å; M657-N660 PolarHBondContact O-N 2.92Å; T658-N660 VanDerWaalsContact C-N 3.34Å; T658-N660 PolarHBondContact O-N 3.49Å; N660-K664 WeakPolarHBondContact O-CG 3.45Å; N660-K664 PolarHBondContact O-N 3.32Å; N660-K664 VanDerWaalsContact O-N 3.09Å
661	L	92.9	Very high	89.5	Confident	48 Å²	48	57.2 Å²	57.2	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-45.5	173.2	-69.3	169.6	0	0	0	111.2	F650 S651 M657 T658 Y659 L663 K664 G665	F650-L661 HydrophobicContact CB-CB 4.25Å; F650-L661 HydrophobicContact CD1-CB 4.05Å; S651-L661 WeakPolarHBondContact O-CD1 3.38Å; M657-L661 WeakPolarHBondContact O-CG 3.37Å; M657-L661 PolarHBondContact O-N 3.08Å; T658-L661 WeakPolarHBondContact O-CB 3.39Å; T658-L661 PolarHBondContact O-N 3.21Å; T658-L661 VanDerWaalsContact O-N 3.16Å; Y659-L661 VanDerWaalsContact C-N 3.31Å; Y659-L661 PolarHBondContact O-N 3.29Å; L661-L663 VanDerWaalsContact C-N 3.29Å; L661-L663 PolarHBondContact O-N 3.3Å; L661-K664 WeakPolarHBondContact O-CB 3.36Å; L661-K664 PolarHBondContact O-N 3Å; L661-G665 PolarHBondContact O-N 3.32Å
662	I	95.2	Very high	89.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-45.3	174.7	-69	162.9	0	0	0	110.8	P614 P619 I622 W634 F650 T658 Y659 K664 G665	P614-I662 VanDerWaalsContact O-CD1 3.32Å; P614-I662 WeakPolarHBondContact O-CD1 3.45Å; P619-I662 HydrophobicContact CB-CG2 4.18Å; I622-I662 HydrophobicContact CD1-CB 3.92Å; I622-I662 HydrophobicContact CD1-CD1 3.98Å; I622-I662 HydrophobicContact CD1-CG2 3.58Å; W634-I662 HydrophobicContact CH2-CG2 4.28Å; W634-I662 HydrophobicContact CZ2-CG2 3.78Å; F650-I662 HydrophobicContact CB-CD1 4.45Å; F650-I662 HydrophobicContact CB-CG1 3.67Å; F650-I662 HydrophobicContact CD1-CG1 4.49Å; F650-I662 HydrophobicContact CD2-CG1 3.72Å; F650-I662 HydrophobicContact CG-CG1 3.71Å; T658-I662 HydrophobicContact CG2-CD1 4.12Å; T658-I662 WeakPolarHBondContact O-CG1 3.19Å; T658-I662 PolarHBondContact O-N 3.39Å; Y659-I662 HydrophobicContact CD1-CD1 4.24Å; Y659-I662 PolarHBondContact O-N 3.07Å; I662-K664 VanDerWaalsContact C-N 3.28Å; I662-K664 PolarHBondContact O-N 2.86Å; I662-G665 WeakPolarHBondContact O-CA 3.46Å; I662-G665 PolarHBondContact O-N 3.14Å
663	L	92.3	Very high	89.9	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-72.7	-14.3	179.1	-65	175.9	0	0	0	114.3	F168 R171 P619 I622 L623 Y659 L661 Q689	F168-L663 HydrophobicContact CD2-CD1 4.32Å; R171-L663 PolarHBondContact NH1-O 3.24Å; P619-L663 HydrophobicContact CB-CD2 3.99Å; I622-L663 HydrophobicContact CB-CD2 4.37Å; I622-L663 HydrophobicContact CG2-CD1 3.97Å; I622-L663 HydrophobicContact CG2-CD2 4.3Å; I622-L663 HydrophobicContact CG2-CG 4.3Å; L623-L663 HydrophobicContact CD1-CD2 3.91Å; L623-L663 HydrophobicContact CD2-CD1 4.25Å; L623-L663 HydrophobicContact CD2-CD2 3.88Å; L623-L663 HydrophobicContact CG-CD2 3.67Å; Y659-L663 WeakPolarHBondContact O-CB 3.49Å; Y659-L663 VanDerWaalsContact O-CG 3.22Å; Y659-L663 WeakPolarHBondContact O-CG 3.38Å; Y659-L663 PolarHBondContact O-N 2.9Å; L661-L663 VanDerWaalsContact C-N 3.29Å; L661-L663 PolarHBondContact O-N 3.3Å; L663-Q689 PolarHBondContact O-NE2 2.69Å
664	K	92.1	Very high	90.5	Very high	122 Å²	122	65 Å²	65	53%	0.53	30%	0.303	S	S	.	.	H	α-helix	trans	-78.6	-27.5	167	-75.6	174	-178.2	-178.1	0	111.8	N660 L661 I662	N660-K664 WeakPolarHBondContact O-CG 3.45Å; N660-K664 PolarHBondContact O-N 3.32Å; N660-K664 VanDerWaalsContact O-N 3.09Å; L661-K664 WeakPolarHBondContact O-CB 3.36Å; L661-K664 PolarHBondContact O-N 3Å; I662-K664 VanDerWaalsContact C-N 3.28Å; I662-K664 PolarHBondContact O-N 2.86Å
665	G	93.7	Very high	91.2	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.031	28%	0.283	C	S	.	.			trans	89.2	158.3	173.1	0	0	0	0	0	114.2	L661 I662 E667 K668 Q689	L661-G665 PolarHBondContact O-N 3.32Å; I662-G665 WeakPolarHBondContact O-CA 3.46Å; I662-G665 PolarHBondContact O-N 3.14Å; G665-E667 PolarHBondContact O-N 2.85Å; G665-K668 PolarHBondContact O-N 3.35Å; G665-Q689 VanDerWaalsContact CA-NE2 3.34Å
666	I	95.2	Very high	91.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.7	-23.2	-177.3	-161.2	64.4	0	0	0	112.9	P649 F650 K668 M669 F671 I683 R684 C687	P649-I666 HydrophobicContact CB-CD1 4.17Å; F650-I666 HydrophobicContact CE1-CD1 4.32Å; F650-I666 HydrophobicContact CE2-CD1 4.24Å; F650-I666 HydrophobicContact CZ-CB 4.02Å; F650-I666 HydrophobicContact CZ-CD1 3.67Å; F650-I666 HydrophobicContact CZ-CG1 4.45Å; I666-K668 PolarHBondContact O-N 2.81Å; I666-M669 HydrophobicContact CD1-CB 4.48Å; I666-M669 HydrophobicContact CD1-SD 4.15Å; I666-M669 WeakPolarHBondContact O-CB 3.06Å; I666-M669 PolarHBondContact O-N 3.42Å; I666-M669 VanDerWaalsContact O-N 3.13Å; I666-F671 HydrophobicContact CD1-CE2 3.93Å; I666-F671 HydrophobicContact CD1-CZ 3.83Å; I666-F671 HydrophobicContact CG1-CE2 3.94Å; I666-F671 HydrophobicContact CG1-CZ 3.87Å; I666-I683 HydrophobicContact CD1-CG2 4.31Å; I666-I683 HydrophobicContact CG1-CG2 4.32Å; I666-R684 HydrophobicContact CG2-CG 4.42Å; I666-R684 PolarHBondContact O-NH1 2.82Å; I666-C687 HydrophobicContact CB-CB 3.96Å; I666-C687 HydrophobicContact CG1-CB 4.19Å; I666-C687 HydrophobicContact CG2-CB 3.94Å; I666-C687 VanDerWaalsContact CG2-O 3.32Å; I666-C687 WeakPolarHBondContact CG2-O 3.42Å
667	E	91.2	Very high	92.4	Very high	89 Å²	89	71 Å²	71	42%	0.416	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.7	179.1	-54.6	-55.4	171	0	0	113.9	G665 M669 R684 R688	G665-E667 PolarHBondContact O-N 2.85Å; E667-M669 VanDerWaalsContact C-N 3.34Å; E667-R684 IonicContact OE2-CZ 2.82Å; E667-R684 IonicContact OE2-NH1 2.71Å; E667-R684 PolarHBondContact OE2-NH1 3.48Å; E667-R688 IonicContact OE1-CZ 2.69Å; E667-R688 IonicContact OE1-NH1 3.96Å; E667-R688 PolarHBondContact OE1-NH1 3.44Å
668	K	90.1	Very high	93	Very high	174 Å²	174	74.3 Å²	74.3	76%	0.757	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-94	6.4	175.3	-61.2	-59.8	-176.6	-175	0	112.9	G665 I666	G665-K668 PolarHBondContact O-N 3.35Å; I666-K668 PolarHBondContact O-N 2.81Å
669	M	90.3	Very high	93.3	Very high	42 Å²	42	74.2 Å²	74.2	21%	0.207	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-103.1	135.4	179.7	-76	-158.4	70.6	0	0	112.6	P649 F650 I666 E667 R684	P649-M669 HydrophobicContact CB-CE 4.07Å; P649-M669 HydrophobicContact CB-SD 3.79Å; P649-M669 WeakPolarHBondContact O-CE 3.19Å; P649-M669 VanDerWaalsContact O-SD 3.37Å; F650-M669 HydrophobicContact CD1-CG 4.48Å; F650-M669 HydrophobicContact CD1-SD 3.53Å; F650-M669 VanDerWaalsContact CD1-SD 3.53Å; F650-M669 HydrophobicContact CE1-CG 3.98Å; F650-M669 HydrophobicContact CE1-SD 3.36Å; F650-M669 WeakPolarHBondContact CE1-SD 3.43Å; F650-M669 HydrophobicContact CG-SD 4.43Å; F650-M669 HydrophobicContact CZ-SD 4.15Å; I666-M669 HydrophobicContact CD1-CB 4.48Å; I666-M669 HydrophobicContact CD1-SD 4.15Å; I666-M669 WeakPolarHBondContact O-CB 3.06Å; I666-M669 PolarHBondContact O-N 3.42Å; I666-M669 VanDerWaalsContact O-N 3.13Å; E667-M669 VanDerWaalsContact C-N 3.34Å; M669-R684 PolarHBondContact O-NH2 2.97Å
670	D	90.4	Very high	93.7	Very high	153 Å²	153	76.4 Å²	76.4	82%	0.818	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-82.7	131.7	168	-63.7	-45.2	0	0	0	110.3
671	F	94.8	Very high	94.1	Very high	30 Å²	30	77.8 Å²	77.8	13%	0.132	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-91.2	135.1	179.7	-84.5	-121.4	0	0	0	110.1	Y641 I666 I675 E680 I683 R684	Y641-F671 HydrophobicContact CD2-CD1 4.18Å; Y641-F671 AromaticContact CD2-CE1 3.69Å; Y641-F671 HydrophobicContact CD2-CE1 3.69Å; Y641-F671 HydrophobicContact CD2-CZ 4.08Å; Y641-F671 HydrophobicContact CE2-CD1 4.01Å; Y641-F671 AromaticContact CE2-CE1 3.91Å; Y641-F671 HydrophobicContact CE2-CE1 3.91Å; Y641-F671 HydrophobicContact CE2-CG 4.41Å; Y641-F671 HydrophobicContact CE2-CZ 4.22Å; I666-F671 HydrophobicContact CD1-CE2 3.93Å; I666-F671 HydrophobicContact CD1-CZ 3.83Å; I666-F671 HydrophobicContact CG1-CE2 3.94Å; I666-F671 HydrophobicContact CG1-CZ 3.87Å; F671-I675 HydrophobicContact CD1-CB 4.15Å; F671-I675 HydrophobicContact CD1-CD1 3.55Å; F671-I675 HydrophobicContact CD1-CG1 4.44Å; F671-I675 HydrophobicContact CD1-CG2 3.93Å; F671-I675 HydrophobicContact CE1-CD1 4.03Å; F671-I675 HydrophobicContact CE1-CG2 4.48Å; F671-E680 HydrophobicContact CB-CG 4.5Å; F671-E680 HydrophobicContact CD1-CB 4.04Å; F671-E680 HydrophobicContact CD1-CG 3.7Å; F671-E680 HydrophobicContact CD2-CG 4.35Å; F671-E680 HydrophobicContact CE1-CB 4.3Å; F671-E680 HydrophobicContact CE1-CG 3.92Å; F671-E680 HydrophobicContact CG-CG 3.93Å; F671-E680 HydrophobicContact CZ-CG 4.34Å; F671-I683 HydrophobicContact CE1-CB 4.04Å; F671-I683 HydrophobicContact CE1-CD1 3.77Å; F671-I683 HydrophobicContact CE1-CG2 3.9Å; F671-I683 HydrophobicContact CZ-CB 4.18Å; F671-I683 HydrophobicContact CZ-CG2 3.69Å; F671-R684 VanDerWaalsContact CD2-NH2 3.29Å; F671-R684 HydrophobicContact CZ-CG 4.48Å
672	P	93.8	Very high	94.4	Very high	54 Å²	54	75.5 Å²	75.5	35%	0.351	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-58.5	144.6	172.5	-23.1	32.8	0	0	0	111	Y641 T645 K674 I675	Y641-P672 WeakPolarHBondContact OH-CD 3.25Å; T645-P672 HydrophobicContact CG2-CG 4.29Å; P672-K674 PolarHBondContact O-N 3.5Å; P672-I675 PolarHBondContact O-N 3.43Å
673	R	91.3	Very high	94.6	Very high	258 Å²	258	75.5 Å²	75.5	97%	0.974	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.3	178.6	-67.6	-175.2	178.4	-179	0.3	114.4	I675	R673-I675 VanDerWaalsContact C-N 3.3Å
674	K	92.9	Very high	94.9	Very high	107 Å²	107	77.5 Å²	77.5	47%	0.465	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	176	-171.3	180	179.4	-146.4	0	112.6	S547 F548 L644 P672 T676	S547-K674 PolarHBondContact OG-NZ 2.92Å; F548-K674 PolarHBondContact O-NZ 3.33Å; L644-K674 WeakPolarHBondContact O-CD 3.34Å; L644-K674 WeakPolarHBondContact O-CE 3.45Å; L644-K674 PolarHBondContact O-NZ 3.46Å; P672-K674 PolarHBondContact O-N 3.5Å; K674-T676 PolarHBondContact O-N 2.94Å
675	I	96.5	Very high	95.1	Very high	9 Å²	9	76.9 Å²	76.9	5%	0.046	34%	0.338	C	S	.	.	S	Bend	trans	-83.1	115.7	175.9	-57.2	179.1	0	0	0	108	Y641 L644 T645 F671 P672 R673 P679 E680 I683	Y641-I675 HydrophobicContact CD2-CD1 3.56Å; Y641-I675 HydrophobicContact CE2-CD1 3.6Å; Y641-I675 HydrophobicContact CG-CD1 4.22Å; L644-I675 HydrophobicContact CB-CG1 4.29Å; L644-I675 HydrophobicContact CD1-CG1 4.47Å; L644-I675 HydrophobicContact CD1-CG2 4.38Å; T645-I675 HydrophobicContact CG2-CD1 3.65Å; T645-I675 HydrophobicContact CG2-CG1 3.93Å; F671-I675 HydrophobicContact CD1-CB 4.15Å; F671-I675 HydrophobicContact CD1-CD1 3.55Å; F671-I675 HydrophobicContact CD1-CG1 4.44Å; F671-I675 HydrophobicContact CD1-CG2 3.93Å; F671-I675 HydrophobicContact CE1-CD1 4.03Å; F671-I675 HydrophobicContact CE1-CG2 4.48Å; P672-I675 PolarHBondContact O-N 3.43Å; R673-I675 VanDerWaalsContact C-N 3.3Å; I675-P679 HydrophobicContact CG2-CB 4.02Å; I675-P679 HydrophobicContact CG2-CG 3.82Å; I675-E680 HydrophobicContact CG2-CB 3.99Å; I675-I683 HydrophobicContact CD1-CD1 4.31Å; I675-I683 HydrophobicContact CG2-CD1 4.34Å
676	T	95.4	Very high	95.4	Very high	63 Å²	63	76.8 Å²	76.8	39%	0.387	34%	0.337	S	S	.	.			trans	-74.6	168.1	177.3	68.9	0	0	0	0	111.4	E550 K674 R678 P679 E680	E550-T676 WeakPolarHBondContact OE1-CG2 3.37Å; E550-T676 PolarHBondContact OE1-OG1 3.14Å; K674-T676 PolarHBondContact O-N 2.94Å; T676-R678 VanDerWaalsContact C-N 3.26Å; T676-R678 PolarHBondContact O-N 3.43Å; T676-R678 VanDerWaalsContact O-N 3.14Å; T676-P679 WeakPolarHBondContact O-CD 3.25Å; T676-P679 VanDerWaalsContact O-CG 3.26Å; T676-P679 WeakPolarHBondContact O-CG 3.09Å; T676-P679 WeakPolarHBondContact OG1-CD 3.39Å; T676-P679 WeakPolarHBondContact OG1-CG 3.36Å; T676-E680 WeakPolarHBondContact O-CB 3.41Å; T676-E680 PolarHBondContact O-N 2.7Å; T676-E680 VanDerWaalsContact O-N 3.12Å
677	R	96.9	Very high	95.5	Very high	223 Å²	223	76.8 Å²	76.8	84%	0.842	34%	0.337	S	S	*	.	H	α-helix	trans	-57	-33.6	-175	-68.8	-174.9	175.9	-178.7	-1.4	114.6	D681	R677-D681 WeakPolarHBondContact O-CB 3.23Å; R677-D681 PolarHBondContact O-N 2.82Å
678	R	97.6	Very high	95.8	Very high	152 Å²	152	77 Å²	77	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-73.4	-50.3	-176.9	-67.7	-179.1	-178.7	163.9	1	113.5	T676 E680 D681 L682 H708 W710	T676-R678 VanDerWaalsContact C-N 3.26Å; T676-R678 PolarHBondContact O-N 3.43Å; T676-R678 VanDerWaalsContact O-N 3.14Å; R678-E680 VanDerWaalsContact C-N 3.31Å; R678-D681 PolarHBondContact O-N 3.37Å; R678-L682 PolarHBondContact O-N 2.9Å; R678-L682 VanDerWaalsContact O-N 3.13Å; R678-H708 PolarHBondContact O-CE1 3.08Å; R678-W710 HydrophobicContact CB-CB 4.13Å; R678-W710 HydrophobicContact CB-CG 4.46Å
679	P	97.7	Very high	95.9	Very high	0 Å²	0	73 Å²	73	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-35.6	171.8	20.1	-27.9	0	0	0	112.1	L644 I675 T676 L682 I683 W710	L644-P679 HydrophobicContact CD1-CB 3.61Å; L644-P679 HydrophobicContact CD1-CG 4.13Å; I675-P679 HydrophobicContact CG2-CB 4.02Å; I675-P679 HydrophobicContact CG2-CG 3.82Å; T676-P679 WeakPolarHBondContact O-CD 3.25Å; T676-P679 VanDerWaalsContact O-CG 3.26Å; T676-P679 WeakPolarHBondContact O-CG 3.09Å; T676-P679 WeakPolarHBondContact OG1-CD 3.39Å; T676-P679 WeakPolarHBondContact OG1-CG 3.36Å; P679-L682 WeakPolarHBondContact O-CB 3.43Å; P679-L682 PolarHBondContact O-N 3.37Å; P679-I683 WeakPolarHBondContact O-CD1 3.38Å; P679-I683 VanDerWaalsContact O-CG1 3.22Å; P679-I683 WeakPolarHBondContact O-CG1 3.47Å; P679-I683 PolarHBondContact O-N 2.88Å; P679-W710 HydrophobicContact CB-CD2 4.25Å; P679-W710 HydrophobicContact CB-CG 4.27Å; P679-W710 HydrophobicContact CB-CZ2 4.29Å; P679-W710 VanDerWaalsContact CD-CD1 3.44Å
680	E	98.3	Very high	95.9	Very high	50 Å²	50	73.5 Å²	73.5	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-50.5	173.6	-179.6	178.4	168.6	0	0	111.9	F671 I675 T676 R678 L682 I683 R684	F671-E680 HydrophobicContact CB-CG 4.5Å; F671-E680 HydrophobicContact CD1-CB 4.04Å; F671-E680 HydrophobicContact CD1-CG 3.7Å; F671-E680 HydrophobicContact CD2-CG 4.35Å; F671-E680 HydrophobicContact CE1-CB 4.3Å; F671-E680 HydrophobicContact CE1-CG 3.92Å; F671-E680 HydrophobicContact CG-CG 3.93Å; F671-E680 HydrophobicContact CZ-CG 4.34Å; I675-E680 HydrophobicContact CG2-CB 3.99Å; T676-E680 WeakPolarHBondContact O-CB 3.41Å; T676-E680 PolarHBondContact O-N 2.7Å; T676-E680 VanDerWaalsContact O-N 3.12Å; R678-E680 VanDerWaalsContact C-N 3.31Å; E680-L682 VanDerWaalsContact C-N 3.27Å; E680-L682 PolarHBondContact O-N 3.18Å; E680-I683 PolarHBondContact O-N 3.34Å; E680-I683 VanDerWaalsContact O-N 3.15Å; E680-R684 HydrophobicContact CG-CG 4.44Å; E680-R684 WeakPolarHBondContact O-CG 3.17Å; E680-R684 PolarHBondContact O-N 3.27Å; E680-R684 IonicContact OE1-CZ 3.37Å; E680-R684 VanDerWaalsContact OE1-CZ 3.3Å; E680-R684 IonicContact OE1-NE 3.75Å; E680-R684 PolarHBondContact OE1-NE 3.32Å; E680-R684 IonicContact OE1-NH2 3.77Å; E680-R684 PolarHBondContact OE1-NH2 3.38Å
681	D	98.3	Very high	96	Very high	52 Å²	52	67.5 Å²	67.5	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-56.6	-41.2	176	-179.7	50.7	0	0	0	111.6	R677 R678 R685 H708	R677-D681 WeakPolarHBondContact O-CB 3.23Å; R677-D681 PolarHBondContact O-N 2.82Å; R678-D681 PolarHBondContact O-N 3.37Å; D681-R685 VanDerWaalsContact CG-NE 3.34Å; D681-R685 WeakPolarHBondContact O-CB 3.49Å; D681-R685 WeakPolarHBondContact O-CG 3.23Å; D681-R685 PolarHBondContact O-N 3.36Å; D681-R685 VanDerWaalsContact O-N 3.08Å; D681-R685 IonicContact OD1-CZ 3.63Å; D681-R685 IonicContact OD1-NE 2.86Å; D681-R685 PolarHBondContact OD1-NE 3.12Å; D681-R685 IonicContact OD1-NH2 3.31Å; D681-R685 PolarHBondContact OD1-NH2 3.46Å; D681-R685 IonicContact OD2-CZ 2.7Å; D681-R685 IonicContact OD2-NE 3.96Å; D681-R685 PolarHBondContact OD2-NE 2.88Å; D681-R685 IonicContact OD2-NH2 3.62Å; D681-H708 IonicContact OD2-CE1 3.98Å; D681-H708 IonicContact OD2-NE2 3.48Å; D681-H708 PolarHBondContact OD2-NE2 2.84Å; D681-H708 VanDerWaalsContact OD2-NE2 3.09Å
682	L	98.6	Very high	95.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-49.1	175.2	-178.4	59.6	0	0	0	111.9	V640 R678 P679 E680 R684 R685 L686 L695 H708 W710	V640-L682 HydrophobicContact CG2-CD2 4.42Å; R678-L682 PolarHBondContact O-N 2.9Å; R678-L682 VanDerWaalsContact O-N 3.13Å; P679-L682 WeakPolarHBondContact O-CB 3.43Å; P679-L682 PolarHBondContact O-N 3.37Å; E680-L682 VanDerWaalsContact C-N 3.27Å; E680-L682 PolarHBondContact O-N 3.18Å; L682-R684 VanDerWaalsContact C-N 3.35Å; L682-R684 PolarHBondContact O-N 3.02Å; L682-R685 PolarHBondContact O-N 3.11Å; L682-L686 HydrophobicContact CD1-CD1 3.8Å; L682-L686 HydrophobicContact CD1-CG 3.96Å; L682-L686 HydrophobicContact CD2-CD1 4.32Å; L682-L686 HydrophobicContact CG-CD1 3.71Å; L682-L686 HydrophobicContact CG-CG 4.27Å; L682-L686 WeakPolarHBondContact O-CB 3.35Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.5Å; L682-L695 HydrophobicContact CD1-CD2 3.55Å; L682-H708 VanDerWaalsContact CB-CE1 3.5Å; L682-H708 WeakPolarHBondContact CB-CE1 3.4Å; L682-H708 HydrophobicContact CD1-CB 4.08Å; L682-H708 PolarHBondContact N-CE1 3.43Å; L682-W710 HydrophobicContact CD2-CB 4.46Å; L682-W710 HydrophobicContact CD2-CD2 4.11Å; L682-W710 HydrophobicContact CD2-CE3 3.24Å; L682-W710 HydrophobicContact CD2-CZ3 3.75Å
683	I	98.7	Very high	95.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-45.7	-178.2	-67.4	159.3	0	0	0	110	V640 Y641 I666 F671 I675 P679 E680 R685 L686 C687	V640-I683 HydrophobicContact CB-CD1 4.36Å; V640-I683 HydrophobicContact CB-CG1 3.88Å; V640-I683 HydrophobicContact CG1-CD1 3.88Å; V640-I683 HydrophobicContact CG1-CG1 3.69Å; Y641-I683 HydrophobicContact CD2-CD1 4.2Å; I666-I683 HydrophobicContact CD1-CG2 4.31Å; I666-I683 HydrophobicContact CG1-CG2 4.32Å; F671-I683 HydrophobicContact CE1-CB 4.04Å; F671-I683 HydrophobicContact CE1-CD1 3.77Å; F671-I683 HydrophobicContact CE1-CG2 3.9Å; F671-I683 HydrophobicContact CZ-CB 4.18Å; F671-I683 HydrophobicContact CZ-CG2 3.69Å; I675-I683 HydrophobicContact CD1-CD1 4.31Å; I675-I683 HydrophobicContact CG2-CD1 4.34Å; P679-I683 WeakPolarHBondContact O-CD1 3.38Å; P679-I683 VanDerWaalsContact O-CG1 3.22Å; P679-I683 WeakPolarHBondContact O-CG1 3.47Å; P679-I683 PolarHBondContact O-N 2.88Å; E680-I683 PolarHBondContact O-N 3.34Å; E680-I683 VanDerWaalsContact O-N 3.15Å; I683-R685 PolarHBondContact O-N 2.96Å; I683-L686 PolarHBondContact O-N 3.46Å; I683-C687 VanDerWaalsContact O-CB 3.25Å; I683-C687 WeakPolarHBondContact O-CB 3.46Å; I683-C687 PolarHBondContact O-N 2.89Å; I683-C687 PolarHBondContact O-SG 3.18Å
684	R	98.3	Very high	95.7	Very high	45 Å²	45	55.1 Å²	55.1	17%	0.17	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-43	178.1	-70	-175.2	-175.3	-70.6	-8.4	112	I666 E667 M669 F671 E680 L682 C687 R688	I666-R684 HydrophobicContact CG2-CG 4.42Å; I666-R684 PolarHBondContact O-NH1 2.82Å; E667-R684 IonicContact OE2-CZ 2.82Å; E667-R684 IonicContact OE2-NH1 2.71Å; E667-R684 PolarHBondContact OE2-NH1 3.48Å; M669-R684 PolarHBondContact O-NH2 2.97Å; F671-R684 VanDerWaalsContact CD2-NH2 3.29Å; F671-R684 HydrophobicContact CZ-CG 4.48Å; E680-R684 HydrophobicContact CG-CG 4.44Å; E680-R684 WeakPolarHBondContact O-CG 3.17Å; E680-R684 PolarHBondContact O-N 3.27Å; E680-R684 IonicContact OE1-CZ 3.37Å; E680-R684 VanDerWaalsContact OE1-CZ 3.3Å; E680-R684 IonicContact OE1-NE 3.75Å; E680-R684 PolarHBondContact OE1-NE 3.32Å; E680-R684 IonicContact OE1-NH2 3.77Å; E680-R684 PolarHBondContact OE1-NH2 3.38Å; L682-R684 VanDerWaalsContact C-N 3.35Å; L682-R684 PolarHBondContact O-N 3.02Å; R684-C687 CarbonylContact O-C 3.58Å; R684-C687 PolarHBondContact O-N 3.39Å; R684-R688 PolarHBondContact O-N 2.8Å
685	R	98	Very high	95.9	Very high	110 Å²	110	50.5 Å²	50.5	42%	0.415	22%	0.22	S	C	.	.	H	α-helix	trans	-70.7	-33.1	178.4	-67.7	173.4	-174.6	-119.8	-0.5	113.8	D681 L682 I683 R694 L695	D681-R685 VanDerWaalsContact CG-NE 3.34Å; D681-R685 WeakPolarHBondContact O-CB 3.49Å; D681-R685 WeakPolarHBondContact O-CG 3.23Å; D681-R685 PolarHBondContact O-N 3.36Å; D681-R685 VanDerWaalsContact O-N 3.08Å; D681-R685 IonicContact OD1-CZ 3.63Å; D681-R685 IonicContact OD1-NE 2.86Å; D681-R685 PolarHBondContact OD1-NE 3.12Å; D681-R685 IonicContact OD1-NH2 3.31Å; D681-R685 PolarHBondContact OD1-NH2 3.46Å; D681-R685 IonicContact OD2-CZ 2.7Å; D681-R685 IonicContact OD2-NE 3.96Å; D681-R685 PolarHBondContact OD2-NE 2.88Å; D681-R685 IonicContact OD2-NH2 3.62Å; L682-R685 PolarHBondContact O-N 3.11Å; I683-R685 PolarHBondContact O-N 2.96Å; R685-R694 WeakPolarHBondContact O-CA 3.26Å; R685-L695 HydrophobicContact CB-CB 3.98Å; R685-L695 HydrophobicContact CB-CD2 4.47Å; R685-L695 PolarHBondContact O-N 3.24Å
686	L	98.6	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-73.5	-35.3	173.3	-72.8	172.8	0	0	0	111.6	F633 L636 V640 L682 I683 R694 L695 I705	F633-L686 HydrophobicContact CB-CD2 4.16Å; L636-L686 HydrophobicContact CB-CD1 4.4Å; L636-L686 HydrophobicContact CD2-CD1 4.38Å; L636-L686 HydrophobicContact CG-CD1 4.24Å; V640-L686 HydrophobicContact CG2-CD1 4.45Å; L682-L686 HydrophobicContact CD1-CD1 3.8Å; L682-L686 HydrophobicContact CD1-CG 3.96Å; L682-L686 HydrophobicContact CD2-CD1 4.32Å; L682-L686 HydrophobicContact CG-CD1 3.71Å; L682-L686 HydrophobicContact CG-CG 4.27Å; L682-L686 WeakPolarHBondContact O-CB 3.35Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.5Å; I683-L686 PolarHBondContact O-N 3.46Å; L686-R694 WeakPolarHBondContact O-CD 3.48Å; L686-R694 WeakPolarHBondContact O-CG 3.17Å; L686-L695 HydrophobicContact CD2-CB 4.22Å; L686-L695 WeakPolarHBondContact CD2-O 3.24Å; L686-I705 HydrophobicContact CD2-CD1 3.61Å; L686-I705 HydrophobicContact CD2-CG1 4.01Å
687	C	98.4	Very high	95.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	32.1	-177.9	-54.9	0	0	0	0	113.1	W634 I666 I683 R684	W634-C687 HydrophobicContact CD2-CB 4.48Å; W634-C687 HydrophobicContact CE3-CB 4.02Å; W634-C687 HydrophobicContact CH2-CB 4.22Å; W634-C687 VanDerWaalsContact CZ3-C 3.49Å; W634-C687 HydrophobicContact CZ3-CB 3.89Å; W634-C687 WeakPolarHBondContact CZ3-O 3.24Å; I666-C687 HydrophobicContact CB-CB 3.96Å; I666-C687 HydrophobicContact CG1-CB 4.19Å; I666-C687 HydrophobicContact CG2-CB 3.94Å; I666-C687 VanDerWaalsContact CG2-O 3.32Å; I666-C687 WeakPolarHBondContact CG2-O 3.42Å; I683-C687 VanDerWaalsContact O-CB 3.25Å; I683-C687 WeakPolarHBondContact O-CB 3.46Å; I683-C687 PolarHBondContact O-N 2.89Å; I683-C687 PolarHBondContact O-SG 3.18Å; R684-C687 CarbonylContact O-C 3.58Å; R684-C687 PolarHBondContact O-N 3.39Å
688	R	96.5	Very high	95.2	Very high	93 Å²	93	38.3 Å²	38.3	35%	0.351	17%	0.17	S	C	.	.			trans	-62.1	138.5	167.8	-71.7	-62.3	-159.8	-177.2	14.8	109.5	E667 R684 E693 R694	E667-R688 IonicContact OE1-CZ 2.69Å; E667-R688 IonicContact OE1-NH1 3.96Å; E667-R688 PolarHBondContact OE1-NH1 3.44Å; R684-R688 PolarHBondContact O-N 2.8Å; R688-E693 HydrophobicContact CB-CB 4.19Å; R688-E693 HydrophobicContact CG-CB 4.23Å; R688-R694 HydrophobicContact CB-CG 3.87Å; R688-R694 PolarHBondContact O-NE 2.85Å; R688-R694 PolarHBondContact O-NH2 2.97Å
689	Q	92.3	Very high	94.4	Very high	90 Å²	90	35.1 Å²	35.1	42%	0.421	16%	0.16	S	C	.	.	S	Bend	trans	-66.6	-43.4	-179.1	-68.9	-165.6	-50.4	0	0	111.2	L663 G665 P691 R694	L663-Q689 PolarHBondContact O-NE2 2.69Å; G665-Q689 VanDerWaalsContact CA-NE2 3.34Å; Q689-P691 WeakPolarHBondContact O-CD 3.27Å; Q689-R694 PolarHBondContact O-NH2 3.43Å
690	N	90.3	Very high	93.6	Very high	54 Å²	54	38.5 Å²	38.5	29%	0.289	18%	0.178	S	C	.	.	S	Bend	trans	-72.1	120.8	173.5	-169.3	-3.6	0	0	0	110.4	T692 E693	N690-T692 PolarHBondContact ND2-OG1 3.29Å; N690-T692 PolarHBondContact O-N 3.28Å; N690-T692 PolarHBondContact OD1-N 3.39Å; N690-T692 PolarHBondContact OD1-OG1 3.49Å; N690-T692 VanDerWaalsContact OD1-OG1 3.09Å; N690-E693 HydrophobicContact CB-CB 4.4Å; N690-E693 HydrophobicContact CB-CG 4.14Å; N690-E693 WeakPolarHBondContact CB-OE1 3.32Å; N690-E693 PolarHBondContact ND2-OE1 3.39Å; N690-E693 PolarHBondContact O-N 2.85Å
691	P	92.5	Very high	93.1	Very high	27 Å²	27	37.1 Å²	37.1	18%	0.175	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.9	-27.4	-178.9	-23.4	34	0	0	0	115	E620 S630 Q689 E693 R694 N697	E620-P691 HydrophobicContact CB-CG 4.26Å; E620-P691 HydrophobicContact CG-CG 4Å; S630-P691 WeakPolarHBondContact OG-CB 3.37Å; Q689-P691 WeakPolarHBondContact O-CD 3.27Å; P691-E693 VanDerWaalsContact C-N 3.35Å; P691-R694 PolarHBondContact O-N 3.37Å; P691-N697 PolarHBondContact O-ND2 3.3Å
692	T	88.1	Confident	92.9	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-76.3	-24.3	-177.1	58.1	0	0	0	0	112.9	D300 C301 N690 L698	D300-T692 HydrophobicContact CB-CG2 3.43Å; D300-T692 VanDerWaalsContact CB-CG2 3.43Å; C301-T692 WeakPolarHBondContact SG-CB 3.27Å; C301-T692 VanDerWaalsContact SG-CG2 3.53Å; C301-T692 PolarHBondContact SG-OG1 3.32Å; N690-T692 PolarHBondContact ND2-OG1 3.29Å; N690-T692 PolarHBondContact O-N 3.28Å; N690-T692 PolarHBondContact OD1-N 3.39Å; N690-T692 PolarHBondContact OD1-OG1 3.49Å; N690-T692 VanDerWaalsContact OD1-OG1 3.09Å; T692-L698 VanDerWaalsContact O-CD2 3.31Å; T692-L698 WeakPolarHBondContact O-CD2 3.4Å
693	E	90.8	Very high	92.6	Very high	78 Å²	78	38.4 Å²	38.4	36%	0.364	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-86.6	-5.8	176.5	-65.9	165.8	-145.4	0	0	113.1	R688 N690 P691 L695	R688-E693 HydrophobicContact CB-CB 4.19Å; R688-E693 HydrophobicContact CG-CB 4.23Å; N690-E693 HydrophobicContact CB-CB 4.4Å; N690-E693 HydrophobicContact CB-CG 4.14Å; N690-E693 WeakPolarHBondContact CB-OE1 3.32Å; N690-E693 PolarHBondContact ND2-OE1 3.39Å; N690-E693 PolarHBondContact O-N 2.85Å; P691-E693 VanDerWaalsContact C-N 3.35Å; E693-L695 PolarHBondContact O-N 3.24Å
694	R	95.6	Very high	92.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-71.6	132.8	-176.5	-73	179.5	-161.4	147.8	11.2	111.6	E620 S630 R685 L686 R688 Q689 P691 G696 N697	E620-R694 VanDerWaalsContact CD-NH2 3.34Å; E620-R694 IonicContact OE1-CZ 2.82Å; E620-R694 IonicContact OE1-NH1 3.64Å; E620-R694 PolarHBondContact OE1-NH1 3.02Å; E620-R694 IonicContact OE1-NH2 3.13Å; E620-R694 PolarHBondContact OE1-NH2 3.24Å; E620-R694 IonicContact OE2-CZ 3.3Å; E620-R694 IonicContact OE2-NH1 3.73Å; E620-R694 PolarHBondContact OE2-NH1 2.98Å; E620-R694 IonicContact OE2-NH2 2.94Å; E620-R694 PolarHBondContact OE2-NH2 3.37Å; S630-R694 PolarHBondContact O-NH1 3.36Å; S630-R694 VanDerWaalsContact O-NH1 3.16Å; R685-R694 WeakPolarHBondContact O-CA 3.26Å; L686-R694 WeakPolarHBondContact O-CD 3.48Å; L686-R694 WeakPolarHBondContact O-CG 3.17Å; R688-R694 HydrophobicContact CB-CG 3.87Å; R688-R694 PolarHBondContact O-NE 2.85Å; R688-R694 PolarHBondContact O-NH2 2.97Å; Q689-R694 PolarHBondContact O-NH2 3.43Å; P691-R694 PolarHBondContact O-N 3.37Å; R694-G696 PolarHBondContact O-N 2.86Å; R694-N697 PolarHBondContact O-N 2.88Å
695	L	95.9	Very high	92.2	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.058	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	130.8	168.8	-160.4	73.6	0	0	0	109.5	L682 R685 L686 E693 L698 D704 I705 H708	L682-L695 HydrophobicContact CD1-CD2 3.55Å; R685-L695 HydrophobicContact CB-CB 3.98Å; R685-L695 HydrophobicContact CB-CD2 4.47Å; R685-L695 PolarHBondContact O-N 3.24Å; L686-L695 HydrophobicContact CD2-CB 4.22Å; L686-L695 WeakPolarHBondContact CD2-O 3.24Å; E693-L695 PolarHBondContact O-N 3.24Å; L695-L698 HydrophobicContact CD1-CD1 4.16Å; L695-D704 HydrophobicContact CD1-CB 3.66Å; L695-D704 HydrophobicContact CG-CB 4.18Å; L695-I705 HydrophobicContact CB-CG1 4.41Å; L695-I705 HydrophobicContact CD2-CG1 4.08Å; L695-I705 HydrophobicContact CG-CG1 3.94Å; L695-H708 HydrophobicContact CD2-CB 4.29Å
696	G	93.1	Very high	92.1	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-27.1	-170.9	0	0	0	0	0	114	F633 R694 G701 I702	F633-G696 WeakPolarHBondContact CE2-O 3.26Å; F633-G696 WeakPolarHBondContact CZ-O 3.43Å; R694-G696 PolarHBondContact O-N 2.86Å; G696-G701 WeakPolarHBondContact CA-O 3.4Å; G696-G701 CarbonylContact O-C 3.58Å; G696-G701 WeakPolarHBondContact O-CA 3.33Å; G696-I702 PolarHBondContact O-N 2.67Å
697	N	92.1	Very high	92	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.1	174.8	-159.1	24	0	0	0	113.8	K297 F633 P691 R694	K297-N697 PolarHBondContact NZ-O 3.47Å; K297-N697 PolarHBondContact NZ-OD1 2.78Å; F633-N697 HydrophobicContact CD2-CB 4.24Å; F633-N697 HydrophobicContact CE2-CB 4.29Å; P691-N697 PolarHBondContact O-ND2 3.3Å; R694-N697 PolarHBondContact O-N 2.88Å
698	L	88.9	Confident	91.9	Very high	22 Å²	22	41 Å²	41	12%	0.115	20%	0.201	C	C	.	.	S	Bend	trans	-73.1	-173.8	174.8	-50	-175	0	0	0	111.7	Q389 T692 L695 N700 G701	Q389-L698 HydrophobicContact CB-CD2 4.35Å; Q389-L698 CarbonylContact O-C 3.29Å; Q389-L698 WeakPolarHBondContact O-CA 3.32Å; Q389-L698 WeakPolarHBondContact O-CB 3.37Å; T692-L698 VanDerWaalsContact O-CD2 3.31Å; T692-L698 WeakPolarHBondContact O-CD2 3.4Å; L695-L698 HydrophobicContact CD1-CD1 4.16Å; L698-N700 VanDerWaalsContact C-N 3.32Å; L698-N700 PolarHBondContact O-N 2.78Å; L698-G701 WeakPolarHBondContact O-CA 3.35Å; L698-G701 PolarHBondContact O-N 2.68Å
699	K	81	Confident	92	Very high	86 Å²	86	45.4 Å²	45.4	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.2	-173.2	64.9	165.9	176.1	-170.3	0	114.1	N388 Q389 G701	N388-K699 WeakPolarHBondContact O-CD 3.34Å; Q389-K699 WeakPolarHBondContact O-CB 3.4Å; Q389-K699 PolarHBondContact O-N 3.04Å; K699-G701 VanDerWaalsContact C-N 3.27Å
700	N	81.9	Confident	92.3	Very high	70 Å²	70	41.2 Å²	41.2	37%	0.374	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.2	178.5	-46.2	-57.7	0	0	0	112	L698 N703 D704	L698-N700 VanDerWaalsContact C-N 3.32Å; L698-N700 PolarHBondContact O-N 2.78Å; N700-N703 HydrophobicContact CB-CB 4.39Å; N700-N703 WeakPolarHBondContact O-CB 3.42Å; N700-N703 PolarHBondContact O-N 3.22Å; N700-N703 PolarHBondContact O-ND2 3.38Å; N700-N703 VanDerWaalsContact O-ND2 3.14Å; N700-D704 WeakPolarHBondContact CB-OD1 3.45Å; N700-D704 WeakPolarHBondContact CB-OD2 3.4Å; N700-D704 PolarHBondContact N-OD2 2.6Å; N700-D704 PolarHBondContact ND2-OD1 3.23Å
701	G	88.3	Confident	92.5	Very high	22 Å²	22	38.8 Å²	38.8	23%	0.227	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-138.8	-179	0	0	0	0	0	112.1	G696 L698 K699 N703 D704	G696-G701 WeakPolarHBondContact CA-O 3.4Å; G696-G701 CarbonylContact O-C 3.58Å; G696-G701 WeakPolarHBondContact O-CA 3.33Å; L698-G701 WeakPolarHBondContact O-CA 3.35Å; L698-G701 PolarHBondContact O-N 2.68Å; K699-G701 VanDerWaalsContact C-N 3.27Å; G701-N703 PolarHBondContact O-N 3.45Å; G701-D704 PolarHBondContact O-N 3.01Å; G701-D704 VanDerWaalsContact O-N 3.07Å
702	I	92.8	Very high	92.5	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.062	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.4	-178.7	-155.4	165.6	0	0	0	114.2	T561 F564 D565 F633 G696 D704 I705 K706	T561-I702 HydrophobicContact CG2-CD1 3.83Å; T561-I702 HydrophobicContact CG2-CG1 3.77Å; T561-I702 WeakPolarHBondContact O-CD1 3.49Å; F564-I702 HydrophobicContact CB-CD1 3.79Å; D565-I702 HydrophobicContact CB-CD1 3.98Å; D565-I702 HydrophobicContact CB-CG2 3.96Å; D565-I702 WeakPolarHBondContact OD1-CG2 3.49Å; F633-I702 HydrophobicContact CE1-CB 4.4Å; F633-I702 HydrophobicContact CE1-CD1 3.94Å; F633-I702 HydrophobicContact CE1-CG1 3.98Å; G696-I702 PolarHBondContact O-N 2.67Å; I702-D704 PolarHBondContact O-N 3.15Å; I702-I705 HydrophobicContact CG1-CD1 4.18Å; I702-I705 WeakPolarHBondContact O-CB 3.42Å; I702-I705 PolarHBondContact O-N 3.15Å; I702-I705 VanDerWaalsContact O-N 3.12Å; I702-K706 PolarHBondContact O-N 3.29Å
703	N	92.2	Very high	92.5	Very high	66 Å²	66	47.5 Å²	47.5	35%	0.353	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-25.6	177.2	-62.3	-60.9	0	0	0	112.6	N700 G701 I705 K706 K707	N700-N703 HydrophobicContact CB-CB 4.39Å; N700-N703 WeakPolarHBondContact O-CB 3.42Å; N700-N703 PolarHBondContact O-N 3.22Å; N700-N703 PolarHBondContact O-ND2 3.38Å; N700-N703 VanDerWaalsContact O-ND2 3.14Å; G701-N703 PolarHBondContact O-N 3.45Å; N703-I705 PolarHBondContact O-N 2.73Å; N703-K706 PolarHBondContact O-N 2.91Å; N703-K707 WeakPolarHBondContact O-CB 3.41Å; N703-K707 WeakPolarHBondContact O-CG 3.46Å; N703-K707 PolarHBondContact O-N 3.33Å
704	D	92.8	Very high	92.8	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-31.2	174.5	-70.1	-37.8	0	0	0	111.5	L695 N700 G701 I702 H708	L695-D704 HydrophobicContact CD1-CB 3.66Å; L695-D704 HydrophobicContact CG-CB 4.18Å; N700-D704 WeakPolarHBondContact CB-OD1 3.45Å; N700-D704 WeakPolarHBondContact CB-OD2 3.4Å; N700-D704 PolarHBondContact N-OD2 2.6Å; N700-D704 PolarHBondContact ND2-OD1 3.23Å; G701-D704 PolarHBondContact O-N 3.01Å; G701-D704 VanDerWaalsContact O-N 3.07Å; I702-D704 PolarHBondContact O-N 3.15Å; D704-H708 PolarHBondContact O-N 3.38Å
705	I	97.4	Very high	92.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-49.7	170.9	-56.9	178	0	0	0	109.7	T561 F633 L636 L686 L695 I702 N703 K707 H708 L711	T561-I705 HydrophobicContact CG2-CG2 4.33Å; F633-I705 HydrophobicContact CD1-CD1 3.64Å; F633-I705 HydrophobicContact CE1-CD1 4.08Å; F633-I705 HydrophobicContact CG-CD1 4.26Å; L636-I705 HydrophobicContact CD2-CD1 4.13Å; L636-I705 HydrophobicContact CD2-CG2 4.33Å; L686-I705 HydrophobicContact CD2-CD1 3.61Å; L686-I705 HydrophobicContact CD2-CG1 4.01Å; L695-I705 HydrophobicContact CB-CG1 4.41Å; L695-I705 HydrophobicContact CD2-CG1 4.08Å; L695-I705 HydrophobicContact CG-CG1 3.94Å; I702-I705 HydrophobicContact CG1-CD1 4.18Å; I702-I705 WeakPolarHBondContact O-CB 3.42Å; I702-I705 PolarHBondContact O-N 3.15Å; I702-I705 VanDerWaalsContact O-N 3.12Å; N703-I705 PolarHBondContact O-N 2.73Å; I705-K707 PolarHBondContact O-N 2.98Å; I705-H708 WeakPolarHBondContact O-CB 3.31Å; I705-H708 PolarHBondContact O-N 3.1Å; I705-L711 HydrophobicContact CG2-CD1 4.34Å
706	K	95.7	Very high	92.7	Very high	19 Å²	19	50.4 Å²	50.4	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-30.7	-178.1	-60	-173.5	-176.4	-178.1	0	113.2	T561 E562 D565 I702 N703 W716	T561-K706 HydrophobicContact CG2-CG 3.97Å; E562-K706 VanDerWaalsContact OE1-CE 3.29Å; E562-K706 WeakPolarHBondContact OE1-CE 2.99Å; E562-K706 IonicContact OE1-NZ 3.14Å; E562-K706 PolarHBondContact OE1-NZ 2.76Å; E562-K706 IonicContact OE2-NZ 3.09Å; E562-K706 PolarHBondContact OE2-NZ 3.22Å; D565-K706 IonicContact OD2-NZ 3.78Å; D565-K706 PolarHBondContact OD2-NZ 3.48Å; I702-K706 PolarHBondContact O-N 3.29Å; N703-K706 PolarHBondContact O-N 2.91Å; K706-W716 HydrophobicContact CB-CD2 4.34Å; K706-W716 HydrophobicContact CB-CH2 4.28Å; K706-W716 HydrophobicContact CB-CZ2 3.78Å; K706-W716 HydrophobicContact CD-CD2 4.26Å; K706-W716 HydrophobicContact CD-CE3 4.07Å; K706-W716 HydrophobicContact CD-CH2 4.47Å; K706-W716 HydrophobicContact CD-CZ3 4.17Å; K706-W716 HydrophobicContact CG-CD2 4.26Å; K706-W716 HydrophobicContact CG-CE3 4.21Å; K706-W716 HydrophobicContact CG-CH2 3.77Å; K706-W716 HydrophobicContact CG-CZ2 3.8Å; K706-W716 HydrophobicContact CG-CZ3 3.97Å; K706-W716 PolarHBondContact O-NE1 3.01Å
707	K	94.9	Very high	92.6	Very high	154 Å²	154	55 Å²	55	67%	0.67	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.7	178.6	-68.6	176.2	-177.8	177.6	0	114.1	N703 I705	N703-K707 WeakPolarHBondContact O-CB 3.41Å; N703-K707 WeakPolarHBondContact O-CG 3.46Å; N703-K707 PolarHBondContact O-N 3.33Å; I705-K707 PolarHBondContact O-N 2.98Å
708	H	98.1	Very high	92.6	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.051	28%	0.282	C	S	.	.	S	Bend	trans	-59.1	145	-177.7	-169.4	-96.3	0	0	0	111.6	R678 D681 L682 L695 D704 I705 W710 L711 N712	R678-H708 PolarHBondContact O-CE1 3.08Å; D681-H708 IonicContact OD2-CE1 3.98Å; D681-H708 IonicContact OD2-NE2 3.48Å; D681-H708 PolarHBondContact OD2-NE2 2.84Å; D681-H708 VanDerWaalsContact OD2-NE2 3.09Å; L682-H708 VanDerWaalsContact CB-CE1 3.5Å; L682-H708 WeakPolarHBondContact CB-CE1 3.4Å; L682-H708 HydrophobicContact CD1-CB 4.08Å; L682-H708 PolarHBondContact N-CE1 3.43Å; L695-H708 HydrophobicContact CD2-CB 4.29Å; D704-H708 PolarHBondContact O-N 3.38Å; I705-H708 WeakPolarHBondContact O-CB 3.31Å; I705-H708 PolarHBondContact O-N 3.1Å; H708-W710 WeakPolarHBondContact ND1-CB 3.32Å; H708-W710 PolarHBondContact ND1-N 3.27Å; H708-W710 PolarHBondContact O-N 3.12Å; H708-L711 CarbonylContact O-C 3.57Å; H708-L711 PolarHBondContact O-N 2.89Å; H708-N712 PolarHBondContact O-N 2.83Å
709	R	97	Very high	93	Very high	187 Å²	187	53.5 Å²	53.5	71%	0.706	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-57.4	-26.7	-175.4	-67.5	-179.3	179	-179.7	-0.3	113.7	N712	R709-N712 WeakPolarHBondContact O-CB 3.41Å; R709-N712 PolarHBondContact O-N 3.39Å
710	W	98.1	Very high	93.4	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-66.6	-35.5	174.5	-173.1	55.3	0	0	0	112.9	E550 K554 V557 V640 L644 R678 P679 L682 H708	E550-W710 PolarHBondContact OE2-NE1 3.25Å; K554-W710 VanDerWaalsContact CE-NE1 3.31Å; K554-W710 WeakPolarHBondContact CE-O 3.44Å; K554-W710 HydrophobicContact CG-CD2 4.1Å; K554-W710 HydrophobicContact CG-CE3 4.19Å; K554-W710 HydrophobicContact CG-CH2 3.84Å; K554-W710 HydrophobicContact CG-CZ2 3.64Å; K554-W710 HydrophobicContact CG-CZ3 4.09Å; K554-W710 PolarHBondContact NZ-O 3.3Å; V557-W710 HydrophobicContact CB-CZ3 4.17Å; V557-W710 HydrophobicContact CG1-CZ3 4.11Å; V557-W710 HydrophobicContact CG2-CH2 4.13Å; V557-W710 HydrophobicContact CG2-CZ3 4.08Å; V640-W710 HydrophobicContact CG1-CH2 3.81Å; V640-W710 HydrophobicContact CG1-CZ2 4.36Å; V640-W710 HydrophobicContact CG1-CZ3 4.02Å; V640-W710 HydrophobicContact CG2-CZ3 4.29Å; L644-W710 HydrophobicContact CD1-CZ2 4.5Å; R678-W710 HydrophobicContact CB-CB 4.13Å; R678-W710 HydrophobicContact CB-CG 4.46Å; P679-W710 HydrophobicContact CB-CD2 4.25Å; P679-W710 HydrophobicContact CB-CG 4.27Å; P679-W710 HydrophobicContact CB-CZ2 4.29Å; P679-W710 VanDerWaalsContact CD-CD1 3.44Å; L682-W710 HydrophobicContact CD2-CB 4.46Å; L682-W710 HydrophobicContact CD2-CD2 4.11Å; L682-W710 HydrophobicContact CD2-CE3 3.24Å; L682-W710 HydrophobicContact CD2-CZ3 3.75Å; H708-W710 WeakPolarHBondContact ND1-CB 3.32Å; H708-W710 PolarHBondContact ND1-N 3.27Å; H708-W710 PolarHBondContact O-N 3.12Å
711	L	96.4	Very high	93.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-96.3	8.8	-179.9	-65.3	164.8	0	0	0	112.5	K554 I705 H708 G713 F714 W716	K554-L711 HydrophobicContact CB-CD2 3.98Å; K554-L711 HydrophobicContact CD-CD2 4.39Å; K554-L711 HydrophobicContact CG-CD2 3.86Å; I705-L711 HydrophobicContact CG2-CD1 4.34Å; H708-L711 CarbonylContact O-C 3.57Å; H708-L711 PolarHBondContact O-N 2.89Å; L711-G713 PolarHBondContact O-N 2.91Å; L711-F714 WeakPolarHBondContact O-CB 3.42Å; L711-F714 PolarHBondContact O-N 3.03Å; L711-W716 HydrophobicContact CB-CZ2 4.17Å; L711-W716 HydrophobicContact CD1-CH2 4.17Å; L711-W716 HydrophobicContact CD1-CZ2 3.76Å; L711-W716 HydrophobicContact CD2-CZ2 4.41Å; L711-W716 HydrophobicContact CG-CZ2 4.31Å
712	N	91.4	Very high	93.9	Very high	135 Å²	135	50.6 Å²	50.6	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	134.3	176.6	-166.8	18.3	0	0	0	110.8	H708 R709 F714	H708-N712 PolarHBondContact O-N 2.83Å; R709-N712 WeakPolarHBondContact O-CB 3.41Å; R709-N712 PolarHBondContact O-N 3.39Å; N712-F714 VanDerWaalsContact C-N 3.25Å; N712-F714 PolarHBondContact O-N 3.28Å
713	G	88.7	Confident	93.9	Very high	78 Å²	78	54.1 Å²	54.1	80%	0.804	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-0.3	-174.8	0	0	0	0	0	115.4	L711	L711-G713 PolarHBondContact O-N 2.91Å
714	F	96.1	Very high	94	Very high	38 Å²	38	52.6 Å²	52.6	17%	0.167	28%	0.279	C	S	.	.			trans	-70.6	131.8	175.5	-172.7	-92.1	0	0	0	111.3	K554 A558 L711 N712 W716 L719 L724	K554-F714 HydrophobicContact CB-CD2 4.33Å; K554-F714 HydrophobicContact CB-CE2 4.45Å; A558-F714 HydrophobicContact CB-CD1 4.11Å; A558-F714 HydrophobicContact CB-CE1 3.34Å; A558-F714 HydrophobicContact CB-CE2 4.22Å; A558-F714 HydrophobicContact CB-CZ 3.4Å; L711-F714 WeakPolarHBondContact O-CB 3.42Å; L711-F714 PolarHBondContact O-N 3.03Å; N712-F714 VanDerWaalsContact C-N 3.25Å; N712-F714 PolarHBondContact O-N 3.28Å; F714-W716 AromaticContact CD1-CD2 3.83Å; F714-W716 HydrophobicContact CD1-CD2 3.83Å; F714-W716 AromaticContact CD1-CE2 3.8Å; F714-W716 HydrophobicContact CD1-CE3 4.37Å; F714-W716 AromaticContact CD1-CG 3.99Å; F714-W716 HydrophobicContact CD1-CG 3.99Å; F714-W716 HydrophobicContact CD1-CZ2 4.3Å; F714-W716 AromaticContact CD1-NE1 3.94Å; F714-W716 HydrophobicContact CE1-CD2 4.26Å; F714-W716 HydrophobicContact CE1-CE3 4.36Å; F714-W716 VanDerWaalsContact O-CD1 3.24Å; F714-W716 PolarHBondContact O-N 3.4Å; F714-L719 HydrophobicContact CE1-CB 4.07Å; F714-L719 HydrophobicContact CE1-CD2 4.05Å; F714-L719 HydrophobicContact CE1-CG 4.45Å; F714-L719 HydrophobicContact CZ-CB 4.46Å; F714-L719 HydrophobicContact CZ-CD1 4.22Å; F714-L719 HydrophobicContact CZ-CD2 4.39Å; F714-L724 HydrophobicContact CE1-CD2 4.25Å; F714-L724 HydrophobicContact CE2-CD2 4.03Å; F714-L724 HydrophobicContact CZ-CD2 3.63Å
715	N	95.6	Very high	94.1	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.444	31%	0.306	S	S	.	.			trans	-81.9	78.7	-177.9	-174.7	7.1	0	0	0	112	E717 G718 L719 L724	N715-E717 VanDerWaalsContact C-N 3.3Å; N715-E717 PolarHBondContact O-N 3.23Å; N715-G718 PolarHBondContact O-N 3.44Å; N715-G718 PolarHBondContact OD1-N 3.41Å; N715-L719 PolarHBondContact O-N 3.13Å; N715-L724 HydrophobicContact CB-CD1 4.29Å
716	W	94.1	Very high	94.1	Very high	29 Å²	29	57.1 Å²	57.1	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-36.2	177.7	-67.9	96.6	0	0	0	113.7	A558 T561 E562 K706 L711 F714 L719 K720	A558-W716 HydrophobicContact CB-CE3 4.3Å; A558-W716 HydrophobicContact CB-CH2 3.73Å; A558-W716 HydrophobicContact CB-CZ2 4.47Å; A558-W716 HydrophobicContact CB-CZ3 3.63Å; T561-W716 HydrophobicContact CG2-CH2 3.99Å; T561-W716 HydrophobicContact CG2-CZ3 4.15Å; E562-W716 HydrophobicContact CG-CE3 4.3Å; E562-W716 HydrophobicContact CG-CZ3 4.31Å; E562-W716 VanDerWaalsContact OE1-CE3 3.31Å; K706-W716 HydrophobicContact CB-CD2 4.34Å; K706-W716 HydrophobicContact CB-CH2 4.28Å; K706-W716 HydrophobicContact CB-CZ2 3.78Å; K706-W716 HydrophobicContact CD-CD2 4.26Å; K706-W716 HydrophobicContact CD-CE3 4.07Å; K706-W716 HydrophobicContact CD-CH2 4.47Å; K706-W716 HydrophobicContact CD-CZ3 4.17Å; K706-W716 HydrophobicContact CG-CD2 4.26Å; K706-W716 HydrophobicContact CG-CE3 4.21Å; K706-W716 HydrophobicContact CG-CH2 3.77Å; K706-W716 HydrophobicContact CG-CZ2 3.8Å; K706-W716 HydrophobicContact CG-CZ3 3.97Å; K706-W716 PolarHBondContact O-NE1 3.01Å; L711-W716 HydrophobicContact CB-CZ2 4.17Å; L711-W716 HydrophobicContact CD1-CH2 4.17Å; L711-W716 HydrophobicContact CD1-CZ2 3.76Å; L711-W716 HydrophobicContact CD2-CZ2 4.41Å; L711-W716 HydrophobicContact CG-CZ2 4.31Å; F714-W716 AromaticContact CD1-CD2 3.83Å; F714-W716 HydrophobicContact CD1-CD2 3.83Å; F714-W716 AromaticContact CD1-CE2 3.8Å; F714-W716 HydrophobicContact CD1-CE3 4.37Å; F714-W716 AromaticContact CD1-CG 3.99Å; F714-W716 HydrophobicContact CD1-CG 3.99Å; F714-W716 HydrophobicContact CD1-CZ2 4.3Å; F714-W716 AromaticContact CD1-NE1 3.94Å; F714-W716 HydrophobicContact CE1-CD2 4.26Å; F714-W716 HydrophobicContact CE1-CE3 4.36Å; F714-W716 VanDerWaalsContact O-CD1 3.24Å; F714-W716 PolarHBondContact O-N 3.4Å; W716-L719 HydrophobicContact CE3-CD2 4.42Å; W716-L719 PolarHBondContact O-N 2.86Å; W716-K720 WeakPolarHBondContact O-CG 3.46Å; W716-K720 PolarHBondContact O-N 3.02Å
717	E	91.8	Very high	94.2	Very high	99 Å²	99	58.8 Å²	58.8	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-70.7	-40.2	179.7	-65.1	-57.2	124.9	0	0	110.9	N715 K720 A721	N715-E717 VanDerWaalsContact C-N 3.3Å; N715-E717 PolarHBondContact O-N 3.23Å; E717-K720 PolarHBondContact O-N 3.33Å; E717-K720 IonicContact OE1-NZ 2.62Å; E717-K720 PolarHBondContact OE1-NZ 2.83Å; E717-A721 WeakPolarHBondContact O-CB 3.22Å; E717-A721 PolarHBondContact O-N 3.29Å
718	G	92.4	Very high	94.2	Very high	4 Å²	4	51.5 Å²	51.5	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-37.8	171.3	0	0	0	0	0	112.9	N715 A721 R722 S723 L724	N715-G718 PolarHBondContact O-N 3.44Å; N715-G718 PolarHBondContact OD1-N 3.41Å; G718-A721 PolarHBondContact O-N 3.09Å; G718-R722 PolarHBondContact O-N 3.47Å; G718-R722 VanDerWaalsContact O-N 3.09Å; G718-S723 WeakPolarHBondContact CA-OG 3.5Å; G718-S723 PolarHBondContact O-N 3.39Å; G718-S723 PolarHBondContact O-OG 3.28Å; G718-L724 PolarHBondContact O-N 3.24Å
719	L	95.4	Very high	94	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-52.5	173.9	-174.7	81.1	0	0	0	111.1	F512 F555 A558 E562 Y589 F714 N715 W716 A721 R722 L724	F512-L719 HydrophobicContact CE1-CD2 4.43Å; F512-L719 HydrophobicContact CE1-CG 4.15Å; F512-L719 HydrophobicContact CZ-CD2 4.3Å; F512-L719 HydrophobicContact CZ-CG 4.04Å; F555-L719 HydrophobicContact CD2-CD1 4.03Å; F555-L719 HydrophobicContact CE2-CD1 3.68Å; F555-L719 HydrophobicContact CZ-CD1 4.21Å; A558-L719 HydrophobicContact CB-CD2 3.62Å; E562-L719 HydrophobicContact CG-CD2 3.96Å; Y589-L719 HydrophobicContact CD1-CD1 4.22Å; Y589-L719 HydrophobicContact CE1-CD1 3.63Å; Y589-L719 HydrophobicContact CE1-CG 4.33Å; F714-L719 HydrophobicContact CE1-CB 4.07Å; F714-L719 HydrophobicContact CE1-CD2 4.05Å; F714-L719 HydrophobicContact CE1-CG 4.45Å; F714-L719 HydrophobicContact CZ-CB 4.46Å; F714-L719 HydrophobicContact CZ-CD1 4.22Å; F714-L719 HydrophobicContact CZ-CD2 4.39Å; N715-L719 PolarHBondContact O-N 3.13Å; W716-L719 HydrophobicContact CE3-CD2 4.42Å; W716-L719 PolarHBondContact O-N 2.86Å; L719-A721 VanDerWaalsContact C-N 3.3Å; L719-A721 PolarHBondContact O-N 3.33Å; L719-R722 PolarHBondContact O-N 3.48Å; L719-L724 HydrophobicContact CB-CD2 4.24Å; L719-L724 HydrophobicContact CD1-CD2 4.18Å
720	K	89.8	Confident	93.8	Very high	19 Å²	19	52.1 Å²	52.1	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-39.9	178.5	-71.2	173.7	-161.9	153.7	0	112.3	L426 E562 W716 E717 R722	L426-K720 WeakPolarHBondContact CD2-O 3.49Å; E562-K720 HydrophobicContact CG-CG 4.28Å; E562-K720 WeakPolarHBondContact OE1-CE 3.36Å; E562-K720 IonicContact OE1-NZ 2.69Å; E562-K720 WeakPolarHBondContact OE2-CE 3.16Å; W716-K720 WeakPolarHBondContact O-CG 3.46Å; W716-K720 PolarHBondContact O-N 3.02Å; E717-K720 PolarHBondContact O-N 3.33Å; E717-K720 IonicContact OE1-NZ 2.62Å; E717-K720 PolarHBondContact OE1-NZ 2.83Å; K720-R722 PolarHBondContact O-N 2.9Å
721	A	88	Confident	93.6	Very high	47 Å²	47	60 Å²	60	39%	0.388	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.2	177.6	0	0	0	0	0	113.5	E717 G718 L719 S723	E717-A721 WeakPolarHBondContact O-CB 3.22Å; E717-A721 PolarHBondContact O-N 3.29Å; G718-A721 PolarHBondContact O-N 3.09Å; L719-A721 VanDerWaalsContact C-N 3.3Å; L719-A721 PolarHBondContact O-N 3.33Å; A721-S723 PolarHBondContact O-N 2.69Å
722	R	92.5	Very high	93.4	Very high	52 Å²	52	61.9 Å²	61.9	20%	0.196	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	30.9	-172.5	-62.8	-176.2	65.1	106.7	-0.9	114	L426 D585 E587 Y589 G718 L719 K720	L426-R722 HydrophobicContact CD2-CG 4.32Å; D585-R722 IonicContact OD1-NH2 3.16Å; D585-R722 PolarHBondContact OD1-NH2 2.98Å; D585-R722 IonicContact OD2-CZ 3.33Å; D585-R722 IonicContact OD2-NH1 2.83Å; D585-R722 PolarHBondContact OD2-NH1 2.9Å; D585-R722 IonicContact OD2-NH2 3.73Å; D585-R722 PolarHBondContact OD2-NH2 3.44Å; E587-R722 IonicContact OE2-CZ 3.57Å; E587-R722 IonicContact OE2-NH2 3.54Å; E587-R722 PolarHBondContact OE2-NH2 3.42Å; Y589-R722 HydrophobicContact CE1-CG 4.31Å; Y589-R722 HydrophobicContact CE2-CB 4.36Å; Y589-R722 VanDerWaalsContact OH-C 3.24Å; Y589-R722 VanDerWaalsContact OH-CA 3.22Å; Y589-R722 WeakPolarHBondContact OH-CA 3.19Å; G718-R722 PolarHBondContact O-N 3.47Å; G718-R722 VanDerWaalsContact O-N 3.09Å; L719-R722 PolarHBondContact O-N 3.48Å; K720-R722 PolarHBondContact O-N 2.9Å
723	S	93.9	Very high	93.4	Very high	86 Å²	86	62.3 Å²	62.3	60%	0.601	35%	0.347	S	S	*	.			trans	-103.8	-6.3	178.1	63.4	0	0	0	0	113.5	G718 A721	G718-S723 WeakPolarHBondContact CA-OG 3.5Å; G718-S723 PolarHBondContact O-N 3.39Å; G718-S723 PolarHBondContact O-OG 3.28Å; A721-S723 PolarHBondContact O-N 2.69Å
724	L	94.4	Very high	93.5	Very high	34 Å²	34	60.2 Å²	60.2	18%	0.178	33%	0.326	C	S	.	.	S	Bend	trans	-79.7	121.4	175.2	-176.3	66.4	0	0	0	109.9	F555 Y589 F714 N715 G718 L719 S726	F555-L724 HydrophobicContact CD2-CD2 4.06Å; F555-L724 HydrophobicContact CE2-CD2 4.24Å; Y589-L724 PolarHBondContact OH-N 3.18Å; Y589-L724 PolarHBondContact OH-O 3.28Å; F714-L724 HydrophobicContact CE1-CD2 4.25Å; F714-L724 HydrophobicContact CE2-CD2 4.03Å; F714-L724 HydrophobicContact CZ-CD2 3.63Å; N715-L724 HydrophobicContact CB-CD1 4.29Å; G718-L724 PolarHBondContact O-N 3.24Å; L719-L724 HydrophobicContact CB-CD2 4.24Å; L719-L724 HydrophobicContact CD1-CD2 4.18Å; L724-S726 PolarHBondContact O-N 3.01Å
725	P	95.2	Very high	93.2	Very high	107 Å²	107	60.2 Å²	60.2	70%	0.695	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-57.2	132.3	178.1	-25.4	35.1	0	0	0	111.9
726	S	96.7	Very high	93.1	Very high	13 Å²	13	59.1 Å²	59.1	9%	0.091	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-80.3	129.1	177.4	177	0	0	0	0	111	F555 E587 G588 L724 L728 Q729	F555-S726 WeakPolarHBondContact CE1-OG 3.45Å; E587-S726 VanDerWaalsContact O-CB 3.32Å; E587-S726 WeakPolarHBondContact O-CB 3.24Å; G588-S726 WeakPolarHBondContact O-CB 3.5Å; G588-S726 PolarHBondContact O-OG 3.31Å; L724-S726 PolarHBondContact O-N 3.01Å; S726-L728 PolarHBondContact O-N 3.18Å; S726-L728 PolarHBondContact OG-N 3.09Å; S726-Q729 PolarHBondContact O-N 3.31Å; S726-Q729 PolarHBondContact OG-N 3.45Å
727	P	96.7	Very high	93.1	Very high	54 Å²	54	58.7 Å²	58.7	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.6	170.3	31.6	-34.3	0	0	0	112.9	T552 F555	T552-P727 HydrophobicContact CG2-CG 4.29Å; F555-P727 HydrophobicContact CB-CG 3.79Å; F555-P727 HydrophobicContact CD1-CG 4.13Å; F555-P727 HydrophobicContact CD2-CG 4.46Å; F555-P727 VanDerWaalsContact CG-CD 3.48Å; F555-P727 HydrophobicContact CG-CG 3.88Å
728	L	96.1	Very high	93.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	10.5	-179.5	-64.3	177.5	0	0	0	112.4	L538 I541 T552 C556 L584 S726 R730	L538-L728 HydrophobicContact CD1-CD1 3.77Å; I541-L728 HydrophobicContact CG2-CD2 4.37Å; T552-L728 HydrophobicContact CG2-CD1 4.26Å; T552-L728 HydrophobicContact CG2-CD2 3.63Å; T552-L728 HydrophobicContact CG2-CG 3.91Å; C556-L728 VanDerWaalsContact SG-CD1 3.59Å; L584-L728 HydrophobicContact CD1-CB 3.96Å; L584-L728 HydrophobicContact CD1-CD1 4.48Å; L584-L728 HydrophobicContact CD2-CB 3.8Å; L584-L728 HydrophobicContact CD2-CD1 3.88Å; S726-L728 PolarHBondContact O-N 3.18Å; S726-L728 PolarHBondContact OG-N 3.09Å; L728-R730 WeakPolarHBondContact O-CG 3.21Å; L728-R730 PolarHBondContact O-N 3.19Å
729	Q	94.4	Very high	93.3	Very high	126 Å²	126	60.8 Å²	60.8	59%	0.589	34%	0.34	S	S	*	.			trans	-61.1	136.9	174.9	-170.5	174.6	2.4	0	0	110.3	S726	S726-Q729 PolarHBondContact O-N 3.31Å; S726-Q729 PolarHBondContact OG-N 3.45Å
730	R	91.9	Very high	93.2	Very high	86 Å²	86	63.4 Å²	63.4	33%	0.325	35%	0.35	S	S	.	.			trans	-133	149.7	179.3	-57.5	176.4	77.4	169.3	10.8	109.2	G535 L728 Y740	G535-R730 PolarHBondContact O-NH1 3.02Å; L728-R730 WeakPolarHBondContact O-CG 3.21Å; L728-R730 PolarHBondContact O-N 3.19Å; R730-Y740 HydrophobicContact CB-CD2 4.31Å; R730-Y740 HydrophobicContact CB-CE2 3.46Å; R730-Y740 VanDerWaalsContact CB-CE2 3.46Å; R730-Y740 HydrophobicContact CG-CE2 4.29Å; R730-Y740 VanDerWaalsContact NE-CE1 3.29Å; R730-Y740 VanDerWaalsContact NE-CZ 3.34Å; R730-Y740 VanDerWaalsContact NH1-CG 3.34Å
731	E	93.1	Very high	93.2	Very high	167 Å²	167	63.6 Å²	63.6	78%	0.78	35%	0.351	S	S	*	.			trans	-74.1	133.3	176.9	-64.5	-178.4	173.8	0	0	110.2	Y740	E731-Y740 VanDerWaalsContact O-CE2 3.31Å; E731-Y740 WeakPolarHBondContact O-CE2 3.36Å; E731-Y740 PolarHBondContact O-OH 2.59Å
732	L	92.3	Very high	93.1	Very high	42 Å²	42	64.4 Å²	64.4	22%	0.22	35%	0.349	C	S	.	.			trans	-125.3	132.9	176.4	-70.6	171.9	0	0	0	109.4	L534 A586 G734 D737 Y740	L534-L732 HydrophobicContact CB-CD1 3.99Å; L534-L732 HydrophobicContact CB-CD2 4.25Å; A586-L732 HydrophobicContact CB-CD1 3.81Å; L732-G734 PolarHBondContact O-N 3.35Å; L732-D737 HydrophobicContact CB-CB 4.47Å; L732-D737 HydrophobicContact CD2-CB 4.13Å; L732-Y740 HydrophobicContact CD2-CD2 3.69Å; L732-Y740 HydrophobicContact CD2-CE2 3.57Å; L732-Y740 HydrophobicContact CG-CE2 4.29Å
733	N	92.8	Very high	92.8	Very high	143 Å²	143	71.6 Å²	71.6	77%	0.765	38%	0.382	S	S	*	.	S	Bend	trans	-87.1	46.7	179.5	-58.5	-70.2	0	0	0	112	D737	N733-D737 HydrophobicContact CB-CB 4.4Å; N733-D737 WeakPolarHBondContact CB-OD2 3.37Å; N733-D737 PolarHBondContact N-OD2 2.69Å; N733-D737 PolarHBondContact ND2-OD2 3.3Å
734	G	90.2	Very high	92.4	Very high	35 Å²	35	69.6 Å²	69.6	36%	0.361	36%	0.361	S	S	.	.	S	Bend	trans	98	-175.3	179.3	0	0	0	0	0	114.9	L732 I736 D737	L732-G734 PolarHBondContact O-N 3.35Å; G734-I736 PolarHBondContact O-N 2.86Å; G734-I736 VanDerWaalsContact O-N 3.13Å; G734-D737 PolarHBondContact O-N 3.3Å
735	P	89.9	Confident	91.9	Very high	37 Å²	37	71.5 Å²	71.5	24%	0.24	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	4.6	-165.8	33.3	-37.5	0	0	0	114.2	N476 A478 L534	N476-P735 HydrophobicContact CB-CG 4.45Å; N476-P735 WeakPolarHBondContact ND2-CD 2.99Å; N476-P735 WeakPolarHBondContact OD1-CD 3.4Å; N476-P735 WeakPolarHBondContact OD1-CG 3.2Å; A478-P735 HydrophobicContact CB-CB 4.23Å; A478-P735 WeakPolarHBondContact CB-O 2.94Å; L534-P735 WeakPolarHBondContact CD1-O 3.38Å
736	I	93.3	Very high	90.9	Very high	61 Å²	61	71.5 Å²	71.5	31%	0.313	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	3.5	174.9	60.3	165.9	0	0	0	113.1	I456 K471 G734 H738	I456-I736 HydrophobicContact CG1-CG2 4.13Å; I456-I736 HydrophobicContact CG2-CB 4.21Å; I456-I736 HydrophobicContact CG2-CG2 4.49Å; K471-I736 HydrophobicContact CB-CG2 4.39Å; K471-I736 HydrophobicContact CD-CG2 3.93Å; K471-I736 HydrophobicContact CG-CG2 4.38Å; G734-I736 PolarHBondContact O-N 2.86Å; G734-I736 VanDerWaalsContact O-N 3.13Å; I736-H738 PolarHBondContact O-N 3.03Å; I736-H738 VanDerWaalsContact O-N 3.12Å; I736-H738 PolarHBondContact O-ND1 2.77Å
737	D	94.9	Very high	89.8	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.102	38%	0.383	C	S	.	.			trans	-70.2	108.6	177.9	-169.7	-13.7	0	0	0	109.6	L732 N733 G734 S739	L732-D737 HydrophobicContact CB-CB 4.47Å; L732-D737 HydrophobicContact CD2-CB 4.13Å; N733-D737 HydrophobicContact CB-CB 4.4Å; N733-D737 WeakPolarHBondContact CB-OD2 3.37Å; N733-D737 PolarHBondContact N-OD2 2.69Å; N733-D737 PolarHBondContact ND2-OD2 3.3Å; G734-D737 PolarHBondContact O-N 3.3Å; D737-S739 WeakPolarHBondContact OD1-CB 3.19Å; D737-S739 PolarHBondContact OD1-N 2.7Å; D737-S739 PolarHBondContact OD1-OG 3.23Å
738	H	93.8	Very high	88.7	Confident	72 Å²	72	79.4 Å²	79.4	33%	0.333	40%	0.404	S	S	.	.			trans	-113.2	21.9	178.8	60	-80.1	0	0	0	111.2	L459 L469 I736 Y740 F741	L459-H738 HydrophobicContact CD2-CB 3.92Å; L469-H738 HydrophobicContact CD2-CB 4.1Å; I736-H738 PolarHBondContact O-N 3.03Å; I736-H738 VanDerWaalsContact O-N 3.12Å; I736-H738 PolarHBondContact O-ND1 2.77Å; H738-Y740 PolarHBondContact O-N 3.01Å; H738-Y740 VanDerWaalsContact O-N 3.09Å; H738-F741 HydrophobicContact CB-CD2 4.29Å; H738-F741 PolarHBondContact O-N 3.03Å
739	S	93.8	Very high	87.7	Confident	75 Å²	75	82.3 Å²	82.3	52%	0.524	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.5	-178.3	56.4	0	0	0	0	114.1	D737	D737-S739 WeakPolarHBondContact OD1-CB 3.19Å; D737-S739 PolarHBondContact OD1-N 2.7Å; D737-S739 PolarHBondContact OD1-OG 3.23Å
740	Y	93.2	Very high	86.9	Confident	56 Å²	56	83.7 Å²	83.7	22%	0.22	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8	178.1	-56.7	-37.7	0	0	0	114.8	R730 E731 L732 H738	R730-Y740 HydrophobicContact CB-CD2 4.31Å; R730-Y740 HydrophobicContact CB-CE2 3.46Å; R730-Y740 VanDerWaalsContact CB-CE2 3.46Å; R730-Y740 HydrophobicContact CG-CE2 4.29Å; R730-Y740 VanDerWaalsContact NE-CE1 3.29Å; R730-Y740 VanDerWaalsContact NE-CZ 3.34Å; R730-Y740 VanDerWaalsContact NH1-CG 3.34Å; E731-Y740 VanDerWaalsContact O-CE2 3.31Å; E731-Y740 WeakPolarHBondContact O-CE2 3.36Å; E731-Y740 PolarHBondContact O-OH 2.59Å; L732-Y740 HydrophobicContact CD2-CD2 3.69Å; L732-Y740 HydrophobicContact CD2-CE2 3.57Å; L732-Y740 HydrophobicContact CG-CE2 4.29Å; H738-Y740 PolarHBondContact O-N 3.01Å; H738-Y740 VanDerWaalsContact O-N 3.09Å
741	F	90.4	Very high	86.6	Confident	22 Å²	22	80.3 Å²	80.3	10%	0.096	43%	0.431	C	S	.	.	S	Bend	trans	-110.5	148	174.3	-67.2	-95.3	0	0	0	111.1	L459 C533 L534 H738	L459-F741 HydrophobicContact CB-CD1 4.01Å; L459-F741 HydrophobicContact CB-CE1 4.18Å; L459-F741 HydrophobicContact CD2-CB 4.45Å; L459-F741 HydrophobicContact CD2-CD1 4.15Å; L459-F741 HydrophobicContact CD2-CD2 3.85Å; L459-F741 HydrophobicContact CD2-CE1 4.39Å; L459-F741 HydrophobicContact CD2-CE2 4.11Å; L459-F741 HydrophobicContact CD2-CG 3.87Å; L459-F741 HydrophobicContact CD2-CZ 4.37Å; L459-F741 WeakPolarHBondContact O-CD1 3.5Å; C533-F741 WeakPolarHBondContact O-CZ 3.38Å; L534-F741 HydrophobicContact CD2-CE2 4.22Å; H738-F741 HydrophobicContact CB-CD2 4.29Å; H738-F741 PolarHBondContact O-N 3.03Å
742	D	86.3	Confident	86.5	Confident	65 Å²	65	75.9 Å²	75.9	35%	0.348	42%	0.417	S	S	.	.			trans	-62.8	150.5	171.7	-68.1	-29.1	0	0	0	110.6	Y744	D742-Y744 HydrophobicContact CB-CE2 3.81Å; D742-Y744 WeakPolarHBondContact O-CD2 3.42Å; D742-Y744 WeakPolarHBondContact O-CE2 3.38Å
743	K	86.2	Confident	86.6	Confident	202 Å²	202	77.4 Å²	77.4	88%	0.878	43%	0.426	S	S	*	.			trans	-83.3	121.5	176.7	-65.7	-176.4	-178.8	-180	0	110.5
744	Y	85.3	Confident	86.7	Confident	44 Å²	44	71.4 Å²	71.4	17%	0.173	39%	0.393	C	S	.	.			trans	-107.3	138.7	175.7	-60.6	-86.8	0	0	0	111	R118 T458 L459 V461 D742	R118-Y744 PolarHBondContact NE-OH 3.47Å; R118-Y744 PolarHBondContact NH2-OH 3.42Å; T458-Y744 HydrophobicContact CG2-CD2 4.25Å; T458-Y744 HydrophobicContact CG2-CG 4.21Å; T458-Y744 WeakPolarHBondContact O-CD2 3.32Å; L459-Y744 WeakPolarHBondContact O-CE2 3.49Å; V461-Y744 HydrophobicContact CB-CD1 4.13Å; V461-Y744 HydrophobicContact CB-CE1 4.37Å; V461-Y744 HydrophobicContact CG2-CD1 3.61Å; V461-Y744 HydrophobicContact CG2-CE1 4.29Å; V461-Y744 HydrophobicContact CG2-CG 3.9Å; D742-Y744 HydrophobicContact CB-CE2 3.81Å; D742-Y744 WeakPolarHBondContact O-CD2 3.42Å; D742-Y744 WeakPolarHBondContact O-CE2 3.38Å
745	P	82.9	Confident	86.8	Confident	75 Å²	75	75.4 Å²	75.4	49%	0.487	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.1	154.8	172.5	29.6	-34.1	0	0	0	110.7	R466	R466-P745 PolarHBondContact NH2-O 3.34Å; R466-P745 VanDerWaalsContact NH2-O 3.1Å
746	P	75.4	Confident	86.9	Confident	107 Å²	107	77.5 Å²	77.5	70%	0.695	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-60.4	149.1	172.3	24.4	-31.9	0	0	0	111.2	K748	P746-K748 PolarHBondContact O-N 3.47Å
747	E	73.9	Confident	86.8	Confident	53 Å²	53	76.5 Å²	76.5	25%	0.248	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-59.9	128.9	179.8	-172.4	170	-166.7	0	0	111.1	R466 R485 Y525	R466-E747 VanDerWaalsContact CD-OE2 3.31Å; R466-E747 WeakPolarHBondContact CD-OE2 3.44Å; R485-E747 IonicContact CZ-OE1 2.81Å; R485-E747 IonicContact NE-OE1 3.48Å; R485-E747 PolarHBondContact NE-OE1 3.03Å; R485-E747 IonicContact NH2-OE1 2.68Å; R485-E747 PolarHBondContact NH2-OE1 3.37Å; Y525-E747 VanDerWaalsContact OH-CD 3.3Å; Y525-E747 PolarHBondContact OH-OE1 2.9Å; Y525-E747 VanDerWaalsContact OH-OE1 3.13Å; Y525-E747 PolarHBondContact OH-OE2 2.6Å; Y525-E747 VanDerWaalsContact OH-OE2 3.07Å
748	K	72.3	Confident	86.6	Confident	179 Å²	179	77.3 Å²	77.3	78%	0.778	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-93.4	122.4	177.1	-68.8	-174.4	179.4	-178.1	0	110.1	P746	P746-K748 PolarHBondContact O-N 3.47Å
749	G	75.4	Confident	86.5	Confident	62 Å²	62	74 Å²	74	64%	0.639	41%	0.413	S	S	*	.	S	Bend	trans	83	153.2	176.7	0	0	0	0	0	113.2
750	M	78.1	Confident	86.3	Confident	156 Å²	156	77.3 Å²	77.3	77%	0.768	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-95.5	131.7	177.2	-71.9	175.3	61.6	0	0	109.9	K524	K524-M750 HydrophobicContact CD-CE 4.2Å; K524-M750 VanDerWaalsContact CE-CE 3.43Å
751	P	85.3	Confident	86	Confident	14 Å²	14	79.4 Å²	79.4	9%	0.091	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-59.5	150.6	171.2	-22.8	33.9	0	0	0	111.3	R485 K524 Y525	R485-P751 HydrophobicContact CG-CG 4Å; K524-P751 WeakPolarHBondContact CD-O 3.37Å; K524-P751 PolarHBondContact NZ-O 3.08Å; Y525-P751 HydrophobicContact CE1-CG 4.05Å; Y525-P751 HydrophobicContact CE2-CG 4.01Å; Y525-P751 VanDerWaalsContact CZ-CG 3.49Å; Y525-P751 WeakPolarHBondContact OH-CD 3.01Å; Y525-P751 WeakPolarHBondContact OH-CG 3.4Å
752	P	90.7	Very high	85.9	Confident	75 Å²	75	79.6 Å²	79.6	49%	0.487	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-65.5	155.8	172.2	31.1	-36.1	0	0	0	110.5	K487	K487-P752 HydrophobicContact CB-CG 3.88Å; K487-P752 HydrophobicContact CD-CG 4.33Å; K487-P752 HydrophobicContact CG-CG 3.67Å
753	D	94	Very high	85.9	Confident	74 Å²	74	80.3 Å²	80.3	40%	0.396	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-65.3	146.4	173.1	-73	12.9	0	0	0	110.4	N523 K524 L755	N523-D753 HydrophobicContact CB-CB 4.27Å; N523-D753 PolarHBondContact ND2-OD2 2.72Å; N523-D753 CarbonylContact O-C 3.54Å; N523-D753 WeakPolarHBondContact O-CA 3.26Å; K524-D753 VanDerWaalsContact CE-OD1 3.29Å; K524-D753 WeakPolarHBondContact CE-OD1 3.05Å; K524-D753 WeakPolarHBondContact CG-OD1 3.46Å; K524-D753 IonicContact NZ-OD1 3.94Å; K524-D753 PolarHBondContact NZ-OD1 3.47Å; D753-L755 HydrophobicContact CB-CG 4.35Å
754	E	94.9	Very high	85.9	Confident	17 Å²	17	73.9 Å²	73.9	8%	0.079	41%	0.414	C	S	.	.			trans	-135.9	110.8	175.3	-161.9	-63.3	113.6	0	0	107.1	K486 K487 V490 N523 S756 W758	K486-E754 HydrophobicContact CB-CB 3.62Å; K486-E754 HydrophobicContact CB-CG 4.05Å; K486-E754 WeakPolarHBondContact CE-O 3.12Å; K486-E754 WeakPolarHBondContact CE-OE2 3.26Å; K486-E754 PolarHBondContact NZ-O 3.32Å; K486-E754 IonicContact NZ-OE2 2.9Å; K487-E754 HydrophobicContact CB-CB 4.49Å; V490-E754 HydrophobicContact CB-CG 4.42Å; V490-E754 HydrophobicContact CG2-CG 3.76Å; N523-E754 PolarHBondContact O-N 2.97Å; E754-S756 WeakPolarHBondContact OE1-CB 3.38Å; E754-S756 PolarHBondContact OE1-N 2.8Å; E754-S756 PolarHBondContact OE1-OG 2.82Å; E754-S756 PolarHBondContact OE2-OG 2.72Å; E754-W758 PolarHBondContact OE2-NE1 3.14Å
755	L	93.8	Very high	85.9	Confident	118 Å²	118	75.6 Å²	75.6	62%	0.618	43%	0.428	S	S	*	.			trans	-122.3	18.5	-166.4	-56.5	178.6	0	0	0	112.8	N523 D753 G757	N523-L755 HydrophobicContact CB-CD2 3.81Å; D753-L755 HydrophobicContact CB-CG 4.35Å; L755-G757 PolarHBondContact O-N 3.21Å; L755-G757 VanDerWaalsContact O-N 3.15Å
756	S	91.1	Very high	86.1	Confident	82 Å²	82	75.6 Å²	75.6	57%	0.573	42%	0.424	S	S	*	.	S	Bend	trans	-66.1	-13.4	179.9	60.7	0	0	0	0	113.7	E754 W758	E754-S756 WeakPolarHBondContact OE1-CB 3.38Å; E754-S756 PolarHBondContact OE1-N 2.8Å; E754-S756 PolarHBondContact OE1-OG 2.82Å; E754-S756 PolarHBondContact OE2-OG 2.72Å; S756-W758 VanDerWaalsContact C-N 3.27Å; S756-W758 PolarHBondContact O-N 2.88Å
757	G	90.4	Very high	86.8	Confident	40 Å²	40	73.6 Å²	73.6	41%	0.412	41%	0.407	S	S	.	.			trans	76.2	12	178.1	0	0	0	0	0	113.9	L755 D759 K760	L755-G757 PolarHBondContact O-N 3.21Å; L755-G757 VanDerWaalsContact O-N 3.15Å; G757-D759 PolarHBondContact O-N 3.25Å; G757-K760 PolarHBondContact O-N 2.86Å
758	W	90.6	Very high	87.6	Confident	35 Å²	35	75 Å²	75	13%	0.133	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.3	176	73.8	-87.9	0	0	0	111.4	K486 I489 Q495 V498 Y499 V526 E754 S756 K760 F762	K486-W758 HydrophobicContact CG-CZ2 4.27Å; I489-W758 HydrophobicContact CB-CH2 4.5Å; I489-W758 HydrophobicContact CB-CZ2 4.18Å; I489-W758 HydrophobicContact CG2-CH2 3.82Å; I489-W758 HydrophobicContact CG2-CZ2 3.85Å; I489-W758 HydrophobicContact CG2-CZ3 4.49Å; Q495-W758 HydrophobicContact CB-CD2 3.89Å; Q495-W758 HydrophobicContact CB-CE3 3.43Å; Q495-W758 VanDerWaalsContact CB-CE3 3.43Å; Q495-W758 HydrophobicContact CB-CG 4.47Å; Q495-W758 HydrophobicContact CB-CZ3 3.78Å; Q495-W758 HydrophobicContact CG-CB 4.24Å; Q495-W758 HydrophobicContact CG-CD2 3.48Å; Q495-W758 VanDerWaalsContact CG-CD2 3.48Å; Q495-W758 HydrophobicContact CG-CE3 3.61Å; Q495-W758 HydrophobicContact CG-CG 3.77Å; Q495-W758 HydrophobicContact CG-CZ3 4.17Å; V498-W758 HydrophobicContact CB-CH2 4.19Å; V498-W758 HydrophobicContact CB-CZ3 4.33Å; V498-W758 HydrophobicContact CG1-CH2 4.17Å; Y499-W758 HydrophobicContact CD2-CE3 4.13Å; Y499-W758 HydrophobicContact CD2-CZ3 4.16Å; Y499-W758 AromaticContact CE2-CE3 3.64Å; Y499-W758 HydrophobicContact CE2-CE3 3.64Å; Y499-W758 AromaticContact CE2-CZ3 4Å; Y499-W758 HydrophobicContact CE2-CZ3 4Å; Y499-W758 WeakPolarHBondContact CE2-O 3.17Å; Y499-W758 PolarHBondContact OH-O 3.02Å; V526-W758 HydrophobicContact CG1-CH2 4.32Å; V526-W758 HydrophobicContact CG1-CZ2 4.33Å; V526-W758 HydrophobicContact CG2-CH2 4.33Å; E754-W758 PolarHBondContact OE2-NE1 3.14Å; S756-W758 VanDerWaalsContact C-N 3.27Å; S756-W758 PolarHBondContact O-N 2.88Å; W758-K760 VanDerWaalsContact C-N 3.28Å; W758-K760 PolarHBondContact O-N 3.39Å; W758-F762 HydrophobicContact CZ3-CE2 4.16Å
759	D	91.6	Very high	88.7	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.021	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	26.5	-179	64.7	-38.8	0	0	0	113.2	K486 Y499 K521 V526 G757 D761 F762	K486-D759 WeakPolarHBondContact CE-OD1 3.44Å; K486-D759 WeakPolarHBondContact CE-OD2 3.35Å; K486-D759 IonicContact NZ-OD1 2.99Å; K486-D759 PolarHBondContact NZ-OD1 2.97Å; K486-D759 IonicContact NZ-OD2 2.63Å; K486-D759 PolarHBondContact NZ-OD2 2.88Å; Y499-D759 VanDerWaalsContact OH-C 3.28Å; Y499-D759 VanDerWaalsContact OH-CA 3.23Å; Y499-D759 WeakPolarHBondContact OH-CA 3.43Å; K521-D759 HydrophobicContact CD-CB 4.44Å; K521-D759 VanDerWaalsContact CD-O 3.25Å; K521-D759 WeakPolarHBondContact CD-O 3.23Å; K521-D759 WeakPolarHBondContact CD-OD2 3.38Å; K521-D759 PolarHBondContact NZ-O 3.5Å; V526-D759 HydrophobicContact CG1-CB 3.58Å; G757-D759 PolarHBondContact O-N 3.25Å; D759-D761 PolarHBondContact O-N 3.24Å; D759-D761 VanDerWaalsContact O-N 3.14Å; D759-F762 HydrophobicContact CB-CB 4.45Å; D759-F762 HydrophobicContact CB-CD2 4.07Å; D759-F762 PolarHBondContact O-N 3.4Å
760	K	89.9	Confident	89.8	Confident	143 Å²	143	68 Å²	68	62%	0.622	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.9	-175	80.2	-178.9	-175.3	178.8	0	113.2	Y499 K521 G757 W758	Y499-K760 PolarHBondContact OH-N 3.33Å; K521-K760 VanDerWaalsContact NZ-CA 3.27Å; K521-K760 PolarHBondContact NZ-O 3Å; G757-K760 PolarHBondContact O-N 2.86Å; W758-K760 VanDerWaalsContact C-N 3.28Å; W758-K760 PolarHBondContact O-N 3.39Å
761	D	87	Confident	90.7	Very high	100 Å²	100	60.7 Å²	60.7	54%	0.535	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.9	-171.4	-58.3	-51.3	0	0	0	112.5	Y499 K502 D759	Y499-D761 HydrophobicContact CE1-CB 3.99Å; Y499-D761 PolarHBondContact OH-N 3.06Å; K502-D761 PolarHBondContact NZ-O 3.41Å; D759-D761 PolarHBondContact O-N 3.24Å; D759-D761 VanDerWaalsContact O-N 3.14Å
762	F	89.4	Confident	91.2	Very high	26 Å²	26	64.9 Å²	64.9	11%	0.114	36%	0.363	C	S	.	.			trans	-81.6	0	175.6	-86.8	-93.7	0	0	0	114.6	V498 Y499 K502 T519 F520 K521 V526 M528 W758 D759	V498-F762 HydrophobicContact CG1-CE1 4.19Å; V498-F762 HydrophobicContact CG1-CE2 4.4Å; V498-F762 HydrophobicContact CG1-CZ 3.65Å; Y499-F762 HydrophobicContact CD1-CD2 4.29Å; Y499-F762 AromaticContact CD1-CE2 3.55Å; Y499-F762 HydrophobicContact CD1-CE2 3.55Å; Y499-F762 HydrophobicContact CD1-CZ 4.27Å; Y499-F762 HydrophobicContact CD2-CE2 4.44Å; Y499-F762 AromaticContact CE1-CD2 3.6Å; Y499-F762 HydrophobicContact CE1-CD2 3.6Å; Y499-F762 AromaticContact CE1-CE2 3.31Å; Y499-F762 HydrophobicContact CE1-CE2 3.31Å; Y499-F762 HydrophobicContact CE1-CZ 4.37Å; Y499-F762 HydrophobicContact CE2-CE2 4.29Å; Y499-F762 HydrophobicContact CG-CE2 4.1Å; Y499-F762 AromaticContact CZ-CD2 3.87Å; Y499-F762 AromaticContact CZ-CE2 3.73Å; K502-F762 HydrophobicContact CB-CE1 4.28Å; K502-F762 HydrophobicContact CB-CZ 4.02Å; K502-F762 HydrophobicContact CD-CD1 4.12Å; K502-F762 HydrophobicContact CD-CD2 4.49Å; K502-F762 HydrophobicContact CD-CE1 3.77Å; K502-F762 HydrophobicContact CD-CE2 4.18Å; K502-F762 HydrophobicContact CD-CG 4.45Å; K502-F762 HydrophobicContact CD-CZ 3.75Å; K502-F762 HydrophobicContact CG-CE1 4.43Å; K502-F762 HydrophobicContact CG-CZ 4.44Å; T519-F762 VanDerWaalsContact CB-OXT 3.32Å; T519-F762 WeakPolarHBondContact CB-OXT 3.19Å; T519-F762 HydrophobicContact CG2-CD1 4.09Å; T519-F762 HydrophobicContact CG2-CE1 4.22Å; T519-F762 PolarHBondContact OG1-OXT 3.42Å; T519-F762 VanDerWaalsContact OG1-OXT 3.1Å; F520-F762 PolarHBondContact N-OXT 2.85Å; K521-F762 HydrophobicContact CB-CB 4.17Å; K521-F762 HydrophobicContact CD-CB 4.34Å; V526-F762 HydrophobicContact CB-CD1 3.7Å; V526-F762 HydrophobicContact CB-CE1 4.09Å; V526-F762 HydrophobicContact CB-CG 4.02Å; V526-F762 HydrophobicContact CG1-CB 4.16Å; V526-F762 HydrophobicContact CG1-CD1 4.08Å; V526-F762 HydrophobicContact CG1-CD2 4.16Å; V526-F762 HydrophobicContact CG1-CG 3.85Å; V526-F762 HydrophobicContact CG2-CD1 4.28Å; V526-F762 HydrophobicContact CG2-CE1 4.15Å; M528-F762 HydrophobicContact CE-CE1 3.98Å; M528-F762 HydrophobicContact CE-CZ 4.29Å; W758-F762 HydrophobicContact CZ3-CE2 4.16Å; D759-F762 HydrophobicContact CB-CB 4.45Å; D759-F762 HydrophobicContact CB-CD2 4.07Å; D759-F762 PolarHBondContact O-N 3.4Å

Retrieved 762 of 762 residues in 224.2 ms (Link to these results)

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