A0A3Q0KCH8_SCHMA Loading...

Coiled-coil domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 677 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	38.9	Very low	47.9	Very low	243 Å²	243	135.2 Å²	135.2	100%	1.197	70%	0.701	S	S	*	*				0	118.5	0	-65.1	-165.6	177.9	0	0	107.1
2	S	37.6	Very low	48.6	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	72%	0.718	S	S	*	*			cis	-146.3	127.7	-2.7	-99.6	0	0	0	0	110.2	S4	S2-S4 PolarHBondContact O-N 3.27Å
3	K	40.2	Very low	49.5	Very low	215 Å²	215	135.5 Å²	135.5	94%	0.935	72%	0.721	S	S	*	*			trans	-59.4	108.6	154.4	-69	167.2	169.6	177.3	0	107.4
4	S	49.9	Very low	49.8	Very low	61 Å²	61	135.1 Å²	135.1	43%	0.427	72%	0.719	S	S	.	*			trans	-160.7	6.5	171.8	49.3	0	0	0	0	116.9	S2 S6	S2-S4 PolarHBondContact O-N 3.27Å; S4-S6 VanDerWaalsContact C-N 3.33Å; S4-S6 PolarHBondContact O-N 2.67Å
5	L	47.1	Very low	50.4	Low	178 Å²	178	128.1 Å²	128.1	93%	0.932	69%	0.691	S	S	*	*	S	Bend	trans	-83.6	-0.2	-179.7	-106.5	99.6	0	0	0	115.4
6	S	52.5	Low	50.3	Low	100 Å²	100	127.8 Å²	127.8	70%	0.699	68%	0.682	S	S	*	*			trans	-104.3	37.1	-168.7	55.4	0	0	0	0	114.1	S4	S4-S6 VanDerWaalsContact C-N 3.33Å; S4-S6 PolarHBondContact O-N 2.67Å
7	R	51.7	Low	50.3	Low	147 Å²	147	125.7 Å²	125.7	56%	0.555	68%	0.675	S	S	*	*			trans	-126.7	17	-172	-72.9	-167.3	-80.4	171.1	-6.4	118	E19	R7-E19 VanDerWaalsContact C-OE1 3.25Å; R7-E19 WeakPolarHBondContact CA-OE1 3.44Å; R7-E19 WeakPolarHBondContact CA-OE2 3.4Å; R7-E19 WeakPolarHBondContact CG-OE2 3.18Å; R7-E19 WeakPolarHBondContact O-CG 3.34Å
8	Y	53	Low	50.1	Low	114 Å²	114	126.7 Å²	126.7	45%	0.447	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.8	118.6	178.7	-66.3	-82.2	0	0	0	110.5	F16 R18	Y8-F16 HydrophobicContact CD1-CD1 4.11Å; Y8-F16 HydrophobicContact CG-CD1 4.32Å; Y8-R18 HydrophobicContact CE1-CB 4.47Å; Y8-R18 HydrophobicContact CE1-CG 4.18Å
9	N	52.6	Low	50.1	Low	124 Å²	124	124.3 Å²	124.3	66%	0.663	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	138.9	169	-78.6	-45.4	0	0	0	110.6
10	I	51.6	Low	49.6	Very low	148 Å²	148	122.8 Å²	122.8	76%	0.759	65%	0.652	S	S	*	*			trans	-106.1	112.2	178.3	-60.3	167	0	0	0	107.6
11	S	51.6	Low	49.4	Very low	56 Å²	56	122.4 Å²	122.4	39%	0.392	66%	0.655	S	S	.	*			trans	-106.7	136.2	167.2	162.7	0	0	0	0	109	V13	S11-V13 PolarHBondContact O-N 3.04Å; S11-V13 PolarHBondContact OG-N 3.29Å
12	V	56.2	Low	49.7	Very low	150 Å²	150	115.4 Å²	115.4	91%	0.909	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-21	178.9	178	0	0	0	0	111.9
13	V	60.6	Low	49.8	Very low	124 Å²	124	120.5 Å²	120.5	75%	0.752	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-35.2	-171.6	-175.6	0	0	0	0	112.8	S11	S11-V13 PolarHBondContact O-N 3.04Å; S11-V13 PolarHBondContact OG-N 3.29Å
14	D	53.5	Low	50.6	Low	131 Å²	131	120.6 Å²	120.6	70%	0.701	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	0.3	-164.1	-68.1	-42.9	0	0	0	117.1
15	G	59.2	Low	50.9	Low	29 Å²	29	125 Å²	125	30%	0.299	64%	0.644	S	S	.	*			trans	71.1	-167.7	175.8	0	0	0	0	0	115.6	V17	G15-V17 PolarHBondContact O-N 3.14Å
16	F	49.4	Very low	51.6	Low	124 Å²	124	121.1 Å²	121.1	54%	0.544	62%	0.624	S	S	.	*			trans	-73	110.7	-171.9	-77.7	-91.3	0	0	0	112.4	Y8 L375	Y8-F16 HydrophobicContact CD1-CD1 4.11Å; Y8-F16 HydrophobicContact CG-CD1 4.32Å; F16-L375 HydrophobicContact CD2-CD1 4.2Å; F16-L375 HydrophobicContact CE2-CD1 3.57Å; F16-L375 HydrophobicContact CZ-CD1 4.44Å
17	V	49.4	Very low	52.2	Low	92 Å²	92	119.8 Å²	119.8	56%	0.558	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.1	129.4	170	-177	0	0	0	0	109.3	G15	G15-V17 PolarHBondContact O-N 3.14Å
18	R	47.3	Very low	53.2	Low	143 Å²	143	117.3 Å²	117.3	54%	0.54	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	125.3	178.9	-153.8	-178.6	-160.7	-175.7	5.8	108.5	Y8 S20 E364	Y8-R18 HydrophobicContact CE1-CB 4.47Å; Y8-R18 HydrophobicContact CE1-CG 4.18Å; R18-S20 PolarHBondContact O-N 3.01Å; R18-E364 IonicContact NH2-OE2 3.62Å; R18-E364 PolarHBondContact NH2-OE2 3.34Å
19	E	49.9	Very low	54.1	Low	81 Å²	81	117.1 Å²	117.1	38%	0.379	63%	0.627	S	S	.	*	S	Bend	trans	-62.3	7.7	-175	-90.2	179.9	-163.4	0	0	117.4	R7 T21	R7-E19 VanDerWaalsContact C-OE1 3.25Å; R7-E19 WeakPolarHBondContact CA-OE1 3.44Å; R7-E19 WeakPolarHBondContact CA-OE2 3.4Å; R7-E19 WeakPolarHBondContact CG-OE2 3.18Å; R7-E19 WeakPolarHBondContact O-CG 3.34Å; E19-T21 PolarHBondContact O-N 3.3Å
20	S	40.9	Very low	55.1	Low	94 Å²	94	112.6 Å²	112.6	66%	0.657	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	14.3	-170.5	61.4	0	0	0	0	115.8	R18	R18-S20 PolarHBondContact O-N 3.01Å
21	T	45.1	Very low	56.3	Low	116 Å²	116	110.3 Å²	110.3	71%	0.712	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	4.1	-178.7	53.9	0	0	0	0	116.1	E19	E19-T21 PolarHBondContact O-N 3.3Å
22	T	44.2	Very low	57.5	Low	95 Å²	95	110.7 Å²	110.7	58%	0.583	59%	0.593	S	S	*	*			trans	-128.9	57.1	-175.8	53.1	0	0	0	0	112.8	R24	T22-R24 PolarHBondContact O-N 2.87Å
23	F	40	Very low	58.6	Low	208 Å²	208	107 Å²	107	91%	0.912	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	7.5	170.5	-174.4	-101.8	0	0	0	113.8
24	R	57.2	Low	59.6	Low	217 Å²	217	103.9 Å²	103.9	82%	0.819	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	3.2	-168	-156.4	169.6	-82	-148.7	-1.1	117.4	T22	T22-R24 PolarHBondContact O-N 2.87Å
25	E	56.4	Low	61	Low	153 Å²	153	100.3 Å²	100.3	72%	0.715	54%	0.535	S	S	*	.			trans	-135.6	90.3	-176.9	-66.4	-176.2	-178.6	0	0	112.6
26	L	62.1	Low	62.2	Low	97 Å²	97	103.7 Å²	103.7	51%	0.508	55%	0.546	S	S	.	.			trans	-52.2	139.6	152.5	-76.4	155.2	0	0	0	108.5	A30 K31 L34	L26-A30 HydrophobicContact CB-CB 4.21Å; L26-A30 HydrophobicContact CD2-CB 3.99Å; L26-K31 HydrophobicContact CB-CD 4.49Å; L26-K31 HydrophobicContact CB-CG 3.61Å; L26-K31 VanDerWaalsContact O-CE 3.23Å; L26-K31 WeakPolarHBondContact O-CE 3.27Å; L26-L34 HydrophobicContact CD1-CD1 3.61Å; L26-L34 HydrophobicContact CD2-CD1 3.98Å; L26-L34 HydrophobicContact CG-CD1 4.42Å
27	S	65.6	Low	63.7	Low	73 Å²	73	98.1 Å²	98.1	51%	0.51	52%	0.522	S	S	.	.			trans	-54.3	148.4	174.7	82.5	0	0	0	0	109.8	N29 A30 K31	S27-N29 PolarHBondContact O-N 3.31Å; S27-N29 VanDerWaalsContact O-N 3.11Å; S27-A30 CarbonylContact O-C 3.59Å; S27-A30 WeakPolarHBondContact O-CA 3.32Å; S27-A30 PolarHBondContact O-N 3.46Å; S27-A30 WeakPolarHBondContact OG-CB 3.47Å; S27-A30 PolarHBondContact OG-N 3.01Å; S27-K31 PolarHBondContact O-N 3.02Å
28	S	72.5	Confident	65.3	Low	95 Å²	95	97.2 Å²	97.2	66%	0.664	51%	0.513	S	S	*	.	H	α-helix	trans	-48.2	-41.9	176.6	178	0	0	0	0	111	K31 C32	S28-K31 PolarHBondContact O-N 2.92Å; S28-C32 PolarHBondContact O-N 3.31Å; S28-C32 PolarHBondContact O-SG 3.36Å
29	N	71.2	Confident	67.1	Low	110 Å²	110	94.2 Å²	94.2	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-47.6	174.4	-166.4	6.1	0	0	0	112.8	S27 K31 C32 I33	S27-N29 PolarHBondContact O-N 3.31Å; S27-N29 VanDerWaalsContact O-N 3.11Å; N29-K31 VanDerWaalsContact C-N 3.31Å; N29-K31 PolarHBondContact O-N 2.95Å; N29-C32 PolarHBondContact O-N 3.19Å; N29-I33 WeakPolarHBondContact O-CB 2.91Å; N29-I33 VanDerWaalsContact O-CG1 3.23Å; N29-I33 WeakPolarHBondContact O-CG1 3.46Å; N29-I33 PolarHBondContact O-N 3.46Å; N29-I33 WeakPolarHBondContact OD1-CD1 3.4Å
30	A	73.6	Confident	68.6	Low	28 Å²	28	96.2 Å²	96.2	23%	0.231	53%	0.525	C	S	.	.	H	α-helix	trans	-63.7	-35.1	176.6	0	0	0	0	0	112.6	L26 S27 L34	L26-A30 HydrophobicContact CB-CB 4.21Å; L26-A30 HydrophobicContact CD2-CB 3.99Å; S27-A30 CarbonylContact O-C 3.59Å; S27-A30 WeakPolarHBondContact O-CA 3.32Å; S27-A30 PolarHBondContact O-N 3.46Å; S27-A30 WeakPolarHBondContact OG-CB 3.47Å; S27-A30 PolarHBondContact OG-N 3.01Å; A30-L34 WeakPolarHBondContact O-CB 3.44Å; A30-L34 VanDerWaalsContact O-CG 3.25Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.22Å
31	K	76.3	Confident	70.6	Confident	100 Å²	100	92.4 Å²	92.4	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-46.1	173	-70.5	179.6	178.5	170.8	0	111.2	L26 S27 S28 N29 L34 A35	L26-K31 HydrophobicContact CB-CD 4.49Å; L26-K31 HydrophobicContact CB-CG 3.61Å; L26-K31 VanDerWaalsContact O-CE 3.23Å; L26-K31 WeakPolarHBondContact O-CE 3.27Å; S27-K31 PolarHBondContact O-N 3.02Å; S28-K31 PolarHBondContact O-N 2.92Å; N29-K31 VanDerWaalsContact C-N 3.31Å; N29-K31 PolarHBondContact O-N 2.95Å; K31-L34 PolarHBondContact O-N 3.44Å; K31-A35 VanDerWaalsContact O-CB 3.28Å; K31-A35 WeakPolarHBondContact O-CB 3.25Å; K31-A35 PolarHBondContact O-N 3.03Å
32	C	77	Confident	72.5	Confident	65 Å²	65	94.3 Å²	94.3	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-48.3	176.4	-67	0	0	0	0	111.2	S28 N29 L34 A35 D36	S28-C32 PolarHBondContact O-N 3.31Å; S28-C32 PolarHBondContact O-SG 3.36Å; N29-C32 PolarHBondContact O-N 3.19Å; C32-L34 VanDerWaalsContact C-N 3.33Å; C32-L34 PolarHBondContact O-N 2.99Å; C32-A35 PolarHBondContact O-N 2.89Å; C32-A35 VanDerWaalsContact O-N 3.16Å; C32-D36 WeakPolarHBondContact O-CB 3.33Å; C32-D36 VanDerWaalsContact O-CG 3.27Å; C32-D36 PolarHBondContact O-N 3.2Å
33	I	79.4	Confident	74.3	Confident	73 Å²	73	91.9 Å²	91.9	37%	0.374	50%	0.497	S	S	.	.	H	α-helix	trans	-58.8	-44.7	177.6	-67.5	164.6	0	0	0	110.9	N29 D36 I37	N29-I33 WeakPolarHBondContact O-CB 2.91Å; N29-I33 VanDerWaalsContact O-CG1 3.23Å; N29-I33 WeakPolarHBondContact O-CG1 3.46Å; N29-I33 PolarHBondContact O-N 3.46Å; N29-I33 WeakPolarHBondContact OD1-CD1 3.4Å; I33-D36 PolarHBondContact O-N 3.33Å; I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.47Å; I33-I37 WeakPolarHBondContact O-CB 3.31Å; I33-I37 WeakPolarHBondContact O-CD1 3.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.23Å; I33-I37 PolarHBondContact O-N 3.16Å
34	L	81	Confident	76.5	Confident	58 Å²	58	84.6 Å²	84.6	30%	0.304	47%	0.468	S	S	.	.	H	α-helix	trans	-68.1	-37.4	177.9	-74.6	170	0	0	0	112.3	L26 A30 K31 C32 I37 L38 L52	L26-L34 HydrophobicContact CD1-CD1 3.61Å; L26-L34 HydrophobicContact CD2-CD1 3.98Å; L26-L34 HydrophobicContact CG-CD1 4.42Å; A30-L34 WeakPolarHBondContact O-CB 3.44Å; A30-L34 VanDerWaalsContact O-CG 3.25Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.22Å; K31-L34 PolarHBondContact O-N 3.44Å; C32-L34 VanDerWaalsContact C-N 3.33Å; C32-L34 PolarHBondContact O-N 2.99Å; L34-I37 PolarHBondContact O-N 3.48Å; L34-L38 VanDerWaalsContact O-CB 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 WeakPolarHBondContact O-CD1 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 2.86Å; L34-L52 HydrophobicContact CD2-CD1 4.16Å
35	A	83.5	Confident	77.9	Confident	55 Å²	55	80.6 Å²	80.6	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.2	0	0	0	0	0	111.4	K31 C32 L38 S39	K31-A35 VanDerWaalsContact O-CB 3.28Å; K31-A35 WeakPolarHBondContact O-CB 3.25Å; K31-A35 PolarHBondContact O-N 3.03Å; C32-A35 PolarHBondContact O-N 2.89Å; C32-A35 VanDerWaalsContact O-N 3.16Å; A35-L38 PolarHBondContact O-N 2.81Å; A35-S39 WeakPolarHBondContact O-CB 3.47Å; A35-S39 PolarHBondContact O-N 3.26Å
36	D	84	Confident	79.3	Confident	100 Å²	100	78.2 Å²	78.2	54%	0.535	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-46.1	176.3	-70.1	-14.3	0	0	0	110.7	C32 I33 L38 S39 M40	C32-D36 WeakPolarHBondContact O-CB 3.33Å; C32-D36 VanDerWaalsContact O-CG 3.27Å; C32-D36 PolarHBondContact O-N 3.2Å; I33-D36 PolarHBondContact O-N 3.33Å; D36-L38 PolarHBondContact O-N 3.17Å; D36-S39 WeakPolarHBondContact O-CB 3.17Å; D36-S39 PolarHBondContact O-N 2.86Å; D36-S39 PolarHBondContact O-OG 3.19Å; D36-M40 WeakPolarHBondContact O-CG 3.43Å; D36-M40 PolarHBondContact O-N 2.9Å
37	I	81	Confident	80.5	Confident	7 Å²	7	79.5 Å²	79.5	4%	0.036	46%	0.46	C	S	.	.	H	α-helix	trans	-65.8	-41.5	178.9	-67.4	169.5	0	0	0	111.4	I33 L34 S39 M40 T41 T48 Y51 L52	I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.47Å; I33-I37 WeakPolarHBondContact O-CB 3.31Å; I33-I37 WeakPolarHBondContact O-CD1 3.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.23Å; I33-I37 PolarHBondContact O-N 3.16Å; L34-I37 PolarHBondContact O-N 3.48Å; I37-S39 VanDerWaalsContact C-N 3.28Å; I37-S39 PolarHBondContact O-N 3.42Å; I37-M40 PolarHBondContact O-N 2.87Å; I37-T41 WeakPolarHBondContact O-CG2 3.4Å; I37-T41 PolarHBondContact O-N 3.46Å; I37-T41 VanDerWaalsContact O-N 3.16Å; I37-T41 PolarHBondContact O-OG1 3.37Å; I37-T48 HydrophobicContact CG2-CG2 3.81Å; I37-Y51 HydrophobicContact CD1-CD1 4.19Å; I37-Y51 HydrophobicContact CD1-CE1 4.25Å; I37-Y51 HydrophobicContact CG1-CD1 3.99Å; I37-Y51 HydrophobicContact CG1-CE1 3.9Å; I37-Y51 HydrophobicContact CG2-CD1 3.82Å; I37-L52 HydrophobicContact CD1-CD2 3.45Å; I37-L52 VanDerWaalsContact CD1-CD2 3.45Å; I37-L52 HydrophobicContact CD1-CG 4.12Å
38	L	83.7	Confident	81.5	Confident	73 Å²	73	76.6 Å²	76.6	38%	0.382	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-33.8	175.2	-76	165.1	0	0	0	112	L34 A35 D36 N42 G43 T48	L34-L38 VanDerWaalsContact O-CB 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 WeakPolarHBondContact O-CD1 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 2.86Å; A35-L38 PolarHBondContact O-N 2.81Å; D36-L38 PolarHBondContact O-N 3.17Å; L38-N42 PolarHBondContact O-N 2.88Å; L38-G43 PolarHBondContact O-N 3.48Å; L38-T48 HydrophobicContact CD2-CG2 3.66Å; L38-T48 HydrophobicContact CG-CG2 4.19Å
39	S	84.6	Confident	82.1	Confident	80 Å²	80	74.3 Å²	74.3	56%	0.559	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-38.3	174.1	82.7	0	0	0	0	111.9	A35 D36 I37 T41	A35-S39 WeakPolarHBondContact O-CB 3.47Å; A35-S39 PolarHBondContact O-N 3.26Å; D36-S39 WeakPolarHBondContact O-CB 3.17Å; D36-S39 PolarHBondContact O-N 2.86Å; D36-S39 PolarHBondContact O-OG 3.19Å; I37-S39 VanDerWaalsContact C-N 3.28Å; I37-S39 PolarHBondContact O-N 3.42Å; S39-T41 PolarHBondContact O-N 2.89Å
40	M	81.9	Confident	82.9	Confident	123 Å²	123	72.9 Å²	72.9	61%	0.606	43%	0.425	S	S	*	.	H	α-helix	trans	-70.2	-29.6	178.6	-70	-178.1	70.1	0	0	113.4	D36 I37 Y51	D36-M40 WeakPolarHBondContact O-CG 3.43Å; D36-M40 PolarHBondContact O-N 2.9Å; I37-M40 PolarHBondContact O-N 2.87Å; M40-Y51 HydrophobicContact CE-CE2 4.48Å
41	T	82.4	Confident	83.6	Confident	15 Å²	15	75.8 Å²	75.8	9%	0.092	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.2	-176.8	66.9	0	0	0	0	113.8	I37 S39 G43 D44 K47 T48	I37-T41 WeakPolarHBondContact O-CG2 3.4Å; I37-T41 PolarHBondContact O-N 3.46Å; I37-T41 VanDerWaalsContact O-N 3.16Å; I37-T41 PolarHBondContact O-OG1 3.37Å; S39-T41 PolarHBondContact O-N 2.89Å; T41-G43 PolarHBondContact O-N 2.9Å; T41-D44 WeakPolarHBondContact O-CB 3.18Å; T41-D44 PolarHBondContact O-N 3.5Å; T41-D44 VanDerWaalsContact O-N 3.14Å; T41-D44 PolarHBondContact OG1-O 2.83Å; T41-K47 HydrophobicContact CG2-CB 3.82Å; T41-T48 HydrophobicContact CG2-CG2 3.79Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.25Å
42	N	84.1	Confident	84.1	Confident	156 Å²	156	73.8 Å²	73.8	83%	0.834	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.2	-175.2	-63.8	-32.8	0	0	0	113	L38 D44	L38-N42 PolarHBondContact O-N 2.88Å; N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 PolarHBondContact O-N 2.64Å
43	G	83.1	Confident	84.6	Confident	43 Å²	43	75.6 Å²	75.6	44%	0.443	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	5	179.9	0	0	0	0	0	115.7	L38 T41 L45	L38-G43 PolarHBondContact O-N 3.48Å; T41-G43 PolarHBondContact O-N 2.9Å; G43-L45 PolarHBondContact O-N 3.47Å
44	D	86.2	Confident	85	Confident	55 Å²	55	75 Å²	75	29%	0.294	43%	0.432	S	S	.	.			trans	-74.5	107.5	175.7	-173.4	-13	0	0	0	110.6	T41 N42 T46 K47 T48	T41-D44 WeakPolarHBondContact O-CB 3.18Å; T41-D44 PolarHBondContact O-N 3.5Å; T41-D44 VanDerWaalsContact O-N 3.14Å; T41-D44 PolarHBondContact OG1-O 2.83Å; N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 PolarHBondContact O-N 2.64Å; D44-T46 PolarHBondContact O-N 3.44Å; D44-T46 PolarHBondContact OD1-N 2.87Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å; D44-K47 HydrophobicContact CB-CB 4.15Å; D44-K47 HydrophobicContact CB-CD 4.01Å; D44-K47 HydrophobicContact CB-CG 4.2Å; D44-K47 PolarHBondContact O-N 2.89Å; D44-K47 WeakPolarHBondContact OD2-CD 3.47Å; D44-K47 WeakPolarHBondContact OD2-CE 3.23Å; D44-K47 WeakPolarHBondContact OD2-CG 3.27Å; D44-K47 IonicContact OD2-NZ 3.97Å; D44-T48 PolarHBondContact O-N 3.44Å
45	L	85.8	Confident	85.3	Confident	133 Å²	133	75.4 Å²	75.4	70%	0.696	43%	0.434	S	S	*	.	H	α-helix	trans	-61.9	-28.8	-178.6	-78.2	127.3	0	0	0	113.4	G43 T48 A49	G43-L45 PolarHBondContact O-N 3.47Å; L45-T48 VanDerWaalsContact CA-OG1 3.27Å; L45-T48 WeakPolarHBondContact CA-OG1 3.32Å; L45-T48 PolarHBondContact O-OG1 3.49Å; L45-A49 VanDerWaalsContact O-CB 3.32Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.9Å
46	T	85.6	Confident	85.4	Confident	104 Å²	104	77.1 Å²	77.1	64%	0.638	44%	0.435	S	S	*	.	H	α-helix	trans	-73.1	-40.8	179.6	65.1	0	0	0	0	110.7	D44 S50	D44-T46 PolarHBondContact O-N 3.44Å; D44-T46 PolarHBondContact OD1-N 2.87Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å; T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 2.98Å
47	K	88.1	Confident	85.6	Confident	123 Å²	123	77 Å²	77	54%	0.535	43%	0.434	S	S	.	.	H	α-helix	trans	-68.8	-39.2	174.1	-69	178.2	-170.7	164.5	0	111.6	T41 D44 S50 Y51	T41-K47 HydrophobicContact CG2-CB 3.82Å; D44-K47 HydrophobicContact CB-CB 4.15Å; D44-K47 HydrophobicContact CB-CD 4.01Å; D44-K47 HydrophobicContact CB-CG 4.2Å; D44-K47 PolarHBondContact O-N 2.89Å; D44-K47 WeakPolarHBondContact OD2-CD 3.47Å; D44-K47 WeakPolarHBondContact OD2-CE 3.23Å; D44-K47 WeakPolarHBondContact OD2-CG 3.27Å; D44-K47 IonicContact OD2-NZ 3.97Å; K47-S50 PolarHBondContact O-N 3.28Å; K47-Y51 VanDerWaalsContact O-CB 3.25Å; K47-Y51 WeakPolarHBondContact O-CB 3.39Å; K47-Y51 PolarHBondContact O-N 3.48Å
48	T	86.3	Confident	85.9	Confident	13 Å²	13	84.3 Å²	84.3	8%	0.08	47%	0.466	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.9	55.7	0	0	0	0	111.6	I37 L38 T41 D44 L45 Y51 L52	I37-T48 HydrophobicContact CG2-CG2 3.81Å; L38-T48 HydrophobicContact CD2-CG2 3.66Å; L38-T48 HydrophobicContact CG-CG2 4.19Å; T41-T48 HydrophobicContact CG2-CG2 3.79Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.25Å; D44-T48 PolarHBondContact O-N 3.44Å; L45-T48 VanDerWaalsContact CA-OG1 3.27Å; L45-T48 WeakPolarHBondContact CA-OG1 3.32Å; L45-T48 PolarHBondContact O-OG1 3.49Å; T48-Y51 PolarHBondContact O-N 2.83Å; T48-L52 WeakPolarHBondContact O-CB 3.4Å; T48-L52 VanDerWaalsContact O-CG 3.31Å; T48-L52 WeakPolarHBondContact O-CG 3.33Å; T48-L52 PolarHBondContact O-N 3.38Å
49	A	85.7	Confident	85.9	Confident	47 Å²	47	84 Å²	84	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-48.5	176.6	0	0	0	0	0	111.2	L45 Y51 L52 D53	L45-A49 VanDerWaalsContact O-CB 3.32Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.9Å; A49-Y51 VanDerWaalsContact C-N 3.3Å; A49-Y51 PolarHBondContact O-N 3.16Å; A49-L52 PolarHBondContact O-N 2.96Å; A49-D53 PolarHBondContact O-N 3.25Å
50	S	88.3	Confident	85.7	Confident	80 Å²	80	85.3 Å²	85.3	56%	0.559	46%	0.464	S	S	*	.	H	α-helix	trans	-61.5	-38.3	176.7	-179.8	0	0	0	0	112.7	T46 K47 S54	T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 2.98Å; K47-S50 PolarHBondContact O-N 3.28Å; S50-S54 PolarHBondContact O-N 2.97Å
51	Y	88	Confident	85.6	Confident	89 Å²	89	84.9 Å²	84.9	35%	0.349	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-45.1	177	-175	-100.2	0	0	0	111.5	I37 M40 K47 T48 A49 S54 L55	I37-Y51 HydrophobicContact CD1-CD1 4.19Å; I37-Y51 HydrophobicContact CD1-CE1 4.25Å; I37-Y51 HydrophobicContact CG1-CD1 3.99Å; I37-Y51 HydrophobicContact CG1-CE1 3.9Å; I37-Y51 HydrophobicContact CG2-CD1 3.82Å; M40-Y51 HydrophobicContact CE-CE2 4.48Å; K47-Y51 VanDerWaalsContact O-CB 3.25Å; K47-Y51 WeakPolarHBondContact O-CB 3.39Å; K47-Y51 PolarHBondContact O-N 3.48Å; T48-Y51 PolarHBondContact O-N 2.83Å; A49-Y51 VanDerWaalsContact C-N 3.3Å; A49-Y51 PolarHBondContact O-N 3.16Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 3.35Å; Y51-S54 PolarHBondContact O-OG 3.5Å; Y51-L55 WeakPolarHBondContact O-CB 3.46Å; Y51-L55 PolarHBondContact O-N 3.18Å
52	L	86.7	Confident	85.5	Confident	57 Å²	57	91.1 Å²	91.1	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-44.5	175.2	-78.6	169.2	0	0	0	111.6	L34 I37 T48 A49 S54 L55 L56	L34-L52 HydrophobicContact CD2-CD1 4.16Å; I37-L52 HydrophobicContact CD1-CD2 3.45Å; I37-L52 VanDerWaalsContact CD1-CD2 3.45Å; I37-L52 HydrophobicContact CD1-CG 4.12Å; T48-L52 WeakPolarHBondContact O-CB 3.4Å; T48-L52 VanDerWaalsContact O-CG 3.31Å; T48-L52 WeakPolarHBondContact O-CG 3.33Å; T48-L52 PolarHBondContact O-N 3.38Å; A49-L52 PolarHBondContact O-N 2.96Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.83Å; L52-L55 PolarHBondContact O-N 3.36Å; L52-L56 VanDerWaalsContact O-CB 3.23Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 2.86Å
53	D	87.6	Confident	85.1	Confident	103 Å²	103	89 Å²	89	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-60.8	-40.2	175	-75.1	-21.8	0	0	0	111.3	A49 L56 N57	A49-D53 PolarHBondContact O-N 3.25Å; D53-L56 PolarHBondContact O-N 2.89Å; D53-N57 WeakPolarHBondContact O-CB 3.39Å; D53-N57 PolarHBondContact O-N 2.9Å
54	S	88.1	Confident	84.9	Confident	62 Å²	62	92.5 Å²	92.5	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-40.2	175.1	95.6	0	0	0	0	112.2	S50 Y51 L52 K58	S50-S54 PolarHBondContact O-N 2.97Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 3.35Å; Y51-S54 PolarHBondContact O-OG 3.5Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.83Å; S54-K58 WeakPolarHBondContact O-CB 3.2Å; S54-K58 PolarHBondContact O-N 3.36Å
55	L	87.9	Confident	84.3	Confident	66 Å²	66	95.9 Å²	95.9	35%	0.346	50%	0.496	S	S	.	.	H	α-helix	trans	-68.7	-40.2	179.5	-170.8	69.8	0	0	0	110.7	Y51 L52 K58 T59	Y51-L55 WeakPolarHBondContact O-CB 3.46Å; Y51-L55 PolarHBondContact O-N 3.18Å; L52-L55 PolarHBondContact O-N 3.36Å; L55-K58 PolarHBondContact O-N 3.39Å; L55-T59 WeakPolarHBondContact O-CG2 3.3Å; L55-T59 PolarHBondContact O-N 2.82Å; L55-T59 PolarHBondContact O-OG1 2.88Å
56	L	85	Confident	83.4	Confident	90 Å²	90	94.6 Å²	94.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-69.5	-40.7	178.3	-157.9	147.8	0	0	0	110.9	L52 D53 K58 T59 Q60	L52-L56 VanDerWaalsContact O-CB 3.23Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 2.86Å; D53-L56 PolarHBondContact O-N 2.89Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.37Å; L56-T59 WeakPolarHBondContact CA-OG1 3.31Å; L56-T59 PolarHBondContact O-N 2.82Å; L56-T59 PolarHBondContact O-OG1 2.96Å; L56-Q60 HydrophobicContact CD2-CG 4.16Å; L56-Q60 VanDerWaalsContact O-CB 3.32Å; L56-Q60 WeakPolarHBondContact O-CB 3.45Å; L56-Q60 VanDerWaalsContact O-CG 3.25Å; L56-Q60 WeakPolarHBondContact O-CG 3.23Å; L56-Q60 PolarHBondContact O-N 2.85Å
57	N	88.3	Confident	82.4	Confident	99 Å²	99	94 Å²	94	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-42.2	169.4	-84.9	-19.7	0	0	0	111.7	D53 Q60 M61	D53-N57 WeakPolarHBondContact O-CB 3.39Å; D53-N57 PolarHBondContact O-N 2.9Å; N57-Q60 PolarHBondContact O-N 3.18Å; N57-M61 WeakPolarHBondContact O-CB 3.35Å; N57-M61 VanDerWaalsContact O-CG 3.23Å; N57-M61 WeakPolarHBondContact O-CG 3.23Å; N57-M61 PolarHBondContact O-N 3.23Å
58	K	86.3	Confident	81.1	Confident	159 Å²	159	92.5 Å²	92.5	69%	0.691	49%	0.487	S	S	*	.	H	α-helix	trans	-64.5	-41.7	178.6	-171.5	176.3	-177.6	178.1	0	112.1	S54 L55 L56 K62	S54-K58 WeakPolarHBondContact O-CB 3.2Å; S54-K58 PolarHBondContact O-N 3.36Å; L55-K58 PolarHBondContact O-N 3.39Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.37Å; K58-K62 WeakPolarHBondContact O-CB 3.27Å; K58-K62 PolarHBondContact O-N 3.28Å
59	T	83.2	Confident	79.9	Confident	68 Å²	68	95.5 Å²	95.5	42%	0.417	52%	0.52	S	S	.	.	H	α-helix	trans	-70.4	-40.6	176.6	53.8	0	0	0	0	111.7	L55 L56 M61 K62 I63	L55-T59 WeakPolarHBondContact O-CG2 3.3Å; L55-T59 PolarHBondContact O-N 2.82Å; L55-T59 PolarHBondContact O-OG1 2.88Å; L56-T59 WeakPolarHBondContact CA-OG1 3.31Å; L56-T59 PolarHBondContact O-N 2.82Å; L56-T59 PolarHBondContact O-OG1 2.96Å; T59-M61 PolarHBondContact O-N 3.29Å; T59-K62 PolarHBondContact O-N 3.46Å; T59-I63 VanDerWaalsContact O-CG1 3.3Å; T59-I63 WeakPolarHBondContact O-CG1 3.4Å; T59-I63 PolarHBondContact O-N 2.86Å
60	Q	81.2	Confident	78.8	Confident	106 Å²	106	100.7 Å²	100.7	50%	0.495	54%	0.542	S	S	.	.	H	α-helix	trans	-60.4	-43	172.9	-77.1	180	-7.5	0	0	112.1	L56 N57 K62 I63 K64	L56-Q60 HydrophobicContact CD2-CG 4.16Å; L56-Q60 VanDerWaalsContact O-CB 3.32Å; L56-Q60 WeakPolarHBondContact O-CB 3.45Å; L56-Q60 VanDerWaalsContact O-CG 3.25Å; L56-Q60 WeakPolarHBondContact O-CG 3.23Å; L56-Q60 PolarHBondContact O-N 2.85Å; N57-Q60 PolarHBondContact O-N 3.18Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.99Å; Q60-I63 PolarHBondContact O-N 3.11Å; Q60-K64 VanDerWaalsContact O-CB 3.31Å; Q60-K64 WeakPolarHBondContact O-CB 3.19Å; Q60-K64 PolarHBondContact O-N 2.79Å
61	M	80.7	Confident	77.7	Confident	115 Å²	115	100.6 Å²	100.6	57%	0.567	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-38.8	174.5	-72.5	-66.1	-77.6	0	0	111.7	N57 T59 K64 L65	N57-M61 WeakPolarHBondContact O-CB 3.35Å; N57-M61 VanDerWaalsContact O-CG 3.23Å; N57-M61 WeakPolarHBondContact O-CG 3.23Å; N57-M61 PolarHBondContact O-N 3.23Å; T59-M61 PolarHBondContact O-N 3.29Å; M61-K64 PolarHBondContact O-N 3.15Å; M61-L65 WeakPolarHBondContact O-CB 3.33Å; M61-L65 PolarHBondContact O-N 3.38Å
62	K	80.1	Confident	77	Confident	146 Å²	146	99 Å²	99	64%	0.635	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-42.2	175.4	-164.2	174.2	-175.9	-177	0	111.9	K58 T59 Q60 K64 L65 L66	K58-K62 WeakPolarHBondContact O-CB 3.27Å; K58-K62 PolarHBondContact O-N 3.28Å; T59-K62 PolarHBondContact O-N 3.46Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.99Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-L65 PolarHBondContact O-N 3.2Å; K62-L66 HydrophobicContact CG-CD1 4.45Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 3.41Å
63	I	76.1	Confident	76.6	Confident	110 Å²	110	102.8 Å²	102.8	56%	0.564	56%	0.556	S	S	*	*	H	α-helix	trans	-63.7	-42.1	174.3	-68.4	165	0	0	0	110.2	T59 Q60 L66 S67	T59-I63 VanDerWaalsContact O-CG1 3.3Å; T59-I63 WeakPolarHBondContact O-CG1 3.4Å; T59-I63 PolarHBondContact O-N 2.86Å; Q60-I63 PolarHBondContact O-N 3.11Å; I63-L66 CarbonylContact O-C 3.56Å; I63-L66 PolarHBondContact O-N 3.13Å; I63-S67 VanDerWaalsContact O-CB 3.25Å; I63-S67 WeakPolarHBondContact O-CB 3.28Å; I63-S67 PolarHBondContact O-N 2.66Å
64	K	78.5	Confident	76.4	Confident	117 Å²	117	105.1 Å²	105.1	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-43.2	176.1	-169.2	174.7	-178.6	-177	0	111.7	Q60 M61 K62 L66 S67 D68	Q60-K64 VanDerWaalsContact O-CB 3.31Å; Q60-K64 WeakPolarHBondContact O-CB 3.19Å; Q60-K64 PolarHBondContact O-N 2.79Å; M61-K64 PolarHBondContact O-N 3.15Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K64-L66 VanDerWaalsContact C-N 3.28Å; K64-L66 PolarHBondContact O-N 2.83Å; K64-S67 PolarHBondContact O-N 3.12Å; K64-S67 VanDerWaalsContact O-N 3.15Å; K64-D68 WeakPolarHBondContact CE-OD2 3.45Å; K64-D68 VanDerWaalsContact CG-OD2 3.3Å; K64-D68 WeakPolarHBondContact CG-OD2 3.3Å; K64-D68 VanDerWaalsContact O-CB 3.28Å; K64-D68 WeakPolarHBondContact O-CB 3.25Å; K64-D68 PolarHBondContact O-N 2.77Å
65	L	73.5	Confident	76	Confident	126 Å²	126	106.5 Å²	106.5	66%	0.66	56%	0.563	S	S	*	*	H	α-helix	trans	-61.1	-33.7	172.6	-100.3	136.7	0	0	0	113.1	M61 K62	M61-L65 WeakPolarHBondContact O-CB 3.33Å; M61-L65 PolarHBondContact O-N 3.38Å; K62-L65 PolarHBondContact O-N 3.2Å
66	L	65.6	Low	75.7	Confident	106 Å²	106	108.6 Å²	108.6	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-79.1	-25.5	175	-69.9	167.4	0	0	0	113	K62 I63 K64	K62-L66 HydrophobicContact CG-CD1 4.45Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 3.41Å; I63-L66 CarbonylContact O-C 3.56Å; I63-L66 PolarHBondContact O-N 3.13Å; K64-L66 VanDerWaalsContact C-N 3.28Å; K64-L66 PolarHBondContact O-N 2.83Å
67	S	65.5	Low	75.5	Confident	92 Å²	92	111.5 Å²	111.5	64%	0.643	58%	0.575	S	S	*	*	H	α-helix	trans	-93.1	-27.7	-177.6	-170.2	0	0	0	0	113.3	I63 K64 G69	I63-S67 VanDerWaalsContact O-CB 3.25Å; I63-S67 WeakPolarHBondContact O-CB 3.28Å; I63-S67 PolarHBondContact O-N 2.66Å; K64-S67 PolarHBondContact O-N 3.12Å; K64-S67 VanDerWaalsContact O-N 3.15Å; S67-G69 PolarHBondContact O-N 3.04Å; S67-G69 VanDerWaalsContact O-N 3.13Å
68	D	61.1	Low	75.5	Confident	92 Å²	92	110.1 Å²	110.1	49%	0.492	57%	0.57	S	S	.	*	S	Bend	trans	-85	79.7	178.4	-73.4	-12.5	0	0	0	109.5	K64 N70	K64-D68 WeakPolarHBondContact CE-OD2 3.45Å; K64-D68 VanDerWaalsContact CG-OD2 3.3Å; K64-D68 WeakPolarHBondContact CG-OD2 3.3Å; K64-D68 VanDerWaalsContact O-CB 3.28Å; K64-D68 WeakPolarHBondContact O-CB 3.25Å; K64-D68 PolarHBondContact O-N 2.77Å; D68-N70 PolarHBondContact O-N 3.08Å
69	G	59.9	Low	75.4	Confident	75 Å²	75	106.4 Å²	106.4	77%	0.773	56%	0.556	S	S	*	*	S	Bend	trans	33.8	6.9	146.6	0	0	0	0	0	124.3	S67	S67-G69 PolarHBondContact O-N 3.04Å; S67-G69 VanDerWaalsContact O-N 3.13Å
70	N	62.8	Low	75.3	Confident	156 Å²	156	107.2 Å²	107.2	83%	0.834	56%	0.557	S	S	*	*			trans	-110.5	-1.8	-171.5	-76.9	-4.6	0	0	0	114.5	D68	D68-N70 PolarHBondContact O-N 3.08Å
71	M	65.2	Low	75.5	Confident	79 Å²	79	107 Å²	107	39%	0.389	56%	0.557	S	S	.	*	S	Bend	trans	-81.3	130.4	168.4	-69	-75.3	-78.2	0	0	108.1	E75 E79	M71-E75 HydrophobicContact CB-CB 4.44Å; M71-E75 HydrophobicContact CE-CB 3.61Å; M71-E75 HydrophobicContact SD-CB 4.26Å; M71-E79 HydrophobicContact CE-CG 4.16Å
72	S	74.8	Confident	75.9	Confident	56 Å²	56	106.5 Å²	106.5	39%	0.392	55%	0.552	S	S	.	*			trans	-62.5	152.2	173.1	89.5	0	0	0	0	109.6	E74 E75 F76	S72-E74 PolarHBondContact O-N 3.2Å; S72-E74 PolarHBondContact OG-N 2.67Å; S72-E75 PolarHBondContact N-OE2 3.3Å; S72-E75 VanDerWaalsContact N-OE2 3.12Å; S72-E75 PolarHBondContact O-N 2.88Å; S72-E75 PolarHBondContact OG-N 3.17Å; S72-F76 PolarHBondContact O-N 3.05Å
73	D	76.7	Confident	76.2	Confident	136 Å²	136	103.6 Å²	103.6	73%	0.727	54%	0.543	S	S	*	.	H	α-helix	trans	-51.3	-36.2	177.6	-70.5	-17.5	0	0	0	111.1	F76 Y77	D73-F76 PolarHBondContact O-N 2.94Å; D73-Y77 WeakPolarHBondContact O-CD2 3.46Å; D73-Y77 PolarHBondContact O-N 3.48Å
74	E	83.8	Confident	76.8	Confident	152 Å²	152	104.2 Å²	104.2	71%	0.71	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-44.9	177.1	-166.8	167.2	-158.4	0	0	112.2	S72 Y77 T78	S72-E74 PolarHBondContact O-N 3.2Å; S72-E74 PolarHBondContact OG-N 2.67Å; E74-Y77 PolarHBondContact O-N 3.47Å; E74-T78 WeakPolarHBondContact O-CG2 3.42Å; E74-T78 PolarHBondContact O-N 3.35Å
75	E	81	Confident	77.2	Confident	91 Å²	91	102.1 Å²	102.1	43%	0.425	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-40.6	176.9	-66.8	175.6	153.3	0	0	111.4	M71 S72 Y77 T78 E79	M71-E75 HydrophobicContact CB-CB 4.44Å; M71-E75 HydrophobicContact CE-CB 3.61Å; M71-E75 HydrophobicContact SD-CB 4.26Å; S72-E75 PolarHBondContact N-OE2 3.3Å; S72-E75 VanDerWaalsContact N-OE2 3.12Å; S72-E75 PolarHBondContact O-N 2.88Å; S72-E75 PolarHBondContact OG-N 3.17Å; E75-Y77 PolarHBondContact O-N 3.06Å; E75-T78 WeakPolarHBondContact CA-OG1 3.48Å; E75-T78 PolarHBondContact O-N 3.41Å; E75-T78 PolarHBondContact O-OG1 3.47Å; E75-E79 PolarHBondContact O-N 2.95Å
76	F	79.5	Confident	77.9	Confident	109 Å²	109	101.9 Å²	101.9	48%	0.478	53%	0.531	S	S	.	.	H	α-helix	trans	-58.8	-47.3	173.9	175.5	-96.1	0	0	0	111.6	S72 D73 T78 E79 L80	S72-F76 PolarHBondContact O-N 3.05Å; D73-F76 PolarHBondContact O-N 2.94Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.41Å; F76-E79 PolarHBondContact O-N 3.24Å; F76-L80 HydrophobicContact CE1-CD2 4.13Å; F76-L80 VanDerWaalsContact O-CB 3.27Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 2.93Å
77	Y	82.5	Confident	78.9	Confident	151 Å²	151	102.5 Å²	102.5	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-36.5	177.3	-84.4	-67.5	0	0	0	112.7	D73 E74 E75 L80 M81	D73-Y77 WeakPolarHBondContact O-CD2 3.46Å; D73-Y77 PolarHBondContact O-N 3.48Å; E74-Y77 PolarHBondContact O-N 3.47Å; E75-Y77 PolarHBondContact O-N 3.06Å; Y77-L80 PolarHBondContact O-N 3.33Å; Y77-M81 WeakPolarHBondContact O-CB 3.48Å; Y77-M81 WeakPolarHBondContact O-CG 3.33Å; Y77-M81 PolarHBondContact O-N 2.94Å
78	T	87	Confident	80	Confident	70 Å²	70	106 Å²	106	43%	0.429	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-44.4	177.1	65.4	0	0	0	0	111.8	E74 E75 F76 M81 K82	E74-T78 WeakPolarHBondContact O-CG2 3.42Å; E74-T78 PolarHBondContact O-N 3.35Å; E75-T78 WeakPolarHBondContact CA-OG1 3.48Å; E75-T78 PolarHBondContact O-N 3.41Å; E75-T78 PolarHBondContact O-OG1 3.47Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.41Å; T78-M81 PolarHBondContact O-N 3.45Å; T78-K82 WeakPolarHBondContact O-CG 3.35Å; T78-K82 PolarHBondContact O-N 2.88Å
79	E	84.2	Confident	81.3	Confident	81 Å²	81	106.1 Å²	106.1	38%	0.379	53%	0.531	S	S	.	.	H	α-helix	trans	-67.9	-37.4	176.1	-81.7	-58.3	143.5	0	0	111.9	M71 E75 F76 M81 K82 L83	M71-E79 HydrophobicContact CE-CG 4.16Å; E75-E79 PolarHBondContact O-N 2.95Å; F76-E79 PolarHBondContact O-N 3.24Å; E79-M81 VanDerWaalsContact C-N 3.31Å; E79-M81 PolarHBondContact O-N 2.98Å; E79-K82 PolarHBondContact O-N 2.89Å; E79-K82 IonicContact OE1-NZ 3.27Å; E79-K82 PolarHBondContact OE1-NZ 2.74Å; E79-L83 WeakPolarHBondContact O-CB 3.3Å; E79-L83 PolarHBondContact O-N 3.42Å
80	L	81	Confident	82.6	Confident	85 Å²	85	106 Å²	106	45%	0.445	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-39.2	174.7	-165.5	71.5	0	0	0	111.6	F76 Y77 K84	F76-L80 HydrophobicContact CE1-CD2 4.13Å; F76-L80 VanDerWaalsContact O-CB 3.27Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 2.93Å; Y77-L80 PolarHBondContact O-N 3.33Å; L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.13Å; L80-K84 PolarHBondContact O-N 2.89Å
81	M	87.1	Confident	83.7	Confident	101 Å²	101	102.7 Å²	102.7	50%	0.498	50%	0.501	S	S	.	.	H	α-helix	trans	-67.5	-39.4	174.2	-84.4	-72.1	-76.9	0	0	112.5	Y77 T78 E79 K84 N85	Y77-M81 WeakPolarHBondContact O-CB 3.48Å; Y77-M81 WeakPolarHBondContact O-CG 3.33Å; Y77-M81 PolarHBondContact O-N 2.94Å; T78-M81 PolarHBondContact O-N 3.45Å; E79-M81 VanDerWaalsContact C-N 3.31Å; E79-M81 PolarHBondContact O-N 2.98Å; M81-K84 PolarHBondContact O-N 3.37Å; M81-K84 HydrophobicContact SD-CD 4.13Å; M81-N85 PolarHBondContact O-N 2.97Å; M81-N85 PolarHBondContact O-ND2 3.25Å
82	K	88.8	Confident	84.8	Confident	106 Å²	106	101.7 Å²	101.7	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-49.5	173	-73.1	-179.2	-165.7	165.5	0	111.1	T78 E79 K84 N85 E86	T78-K82 WeakPolarHBondContact O-CG 3.35Å; T78-K82 PolarHBondContact O-N 2.88Å; E79-K82 PolarHBondContact O-N 2.89Å; E79-K82 IonicContact OE1-NZ 3.27Å; E79-K82 PolarHBondContact OE1-NZ 2.74Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 3.47Å; K82-N85 PolarHBondContact O-N 3.24Å; K82-N85 VanDerWaalsContact O-N 3.08Å; K82-E86 WeakPolarHBondContact O-CG 3.18Å; K82-E86 PolarHBondContact O-N 3.08Å
83	L	85.9	Confident	85.4	Confident	85 Å²	85	102.8 Å²	102.8	45%	0.445	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-39.3	179.8	-173	66.3	0	0	0	112	E79 N85 E86 Q87	E79-L83 WeakPolarHBondContact O-CB 3.3Å; E79-L83 PolarHBondContact O-N 3.42Å; L83-N85 VanDerWaalsContact C-N 3.34Å; L83-E86 PolarHBondContact O-N 2.73Å; L83-Q87 WeakPolarHBondContact O-CB 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 3.43Å
84	K	88.4	Confident	85.8	Confident	122 Å²	122	101.5 Å²	101.5	53%	0.53	49%	0.49	S	S	.	.	H	α-helix	trans	-60.8	-43	173.6	-179.1	-155.8	170.6	-169.8	0	111.6	L80 M81 K82 Q87 R88	L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.13Å; L80-K84 PolarHBondContact O-N 2.89Å; M81-K84 PolarHBondContact O-N 3.37Å; M81-K84 HydrophobicContact SD-CD 4.13Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 3.47Å; K84-Q87 PolarHBondContact O-N 2.94Å; K84-R88 WeakPolarHBondContact O-CB 3.45Å; K84-R88 PolarHBondContact O-N 2.94Å
85	N	87	Confident	85.7	Confident	74 Å²	74	99.6 Å²	99.6	40%	0.396	48%	0.481	S	S	.	.	H	α-helix	trans	-67.3	-43.9	178.4	-68.5	-18.3	0	0	0	111.1	M81 K82 L83 Q87 R88 D89	M81-N85 PolarHBondContact O-N 2.97Å; M81-N85 PolarHBondContact O-ND2 3.25Å; K82-N85 PolarHBondContact O-N 3.24Å; K82-N85 VanDerWaalsContact O-N 3.08Å; L83-N85 VanDerWaalsContact C-N 3.34Å; N85-Q87 VanDerWaalsContact C-N 3.33Å; N85-Q87 PolarHBondContact O-N 3.43Å; N85-R88 WeakPolarHBondContact O-CB 3.37Å; N85-R88 PolarHBondContact O-N 3.48Å; N85-R88 VanDerWaalsContact O-N 3.15Å; N85-D89 PolarHBondContact O-N 2.91Å
86	E	88.5	Confident	86	Confident	120 Å²	120	102.3 Å²	102.3	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-58.5	-44.1	174.2	-71.7	177.9	-179.4	0	0	111.6	K82 L83 R88 D89 T90	K82-E86 WeakPolarHBondContact O-CG 3.18Å; K82-E86 PolarHBondContact O-N 3.08Å; L83-E86 PolarHBondContact O-N 2.73Å; E86-R88 PolarHBondContact O-N 3.39Å; E86-D89 PolarHBondContact O-N 3.28Å; E86-T90 WeakPolarHBondContact O-CG2 3.39Å; E86-T90 PolarHBondContact O-N 3.3Å; E86-T90 PolarHBondContact O-OG1 3.27Å
87	Q	87.2	Confident	86.2	Confident	119 Å²	119	102.3 Å²	102.3	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-62.5	-42.3	175.7	-77.2	-176.2	-12.1	0	0	111.9	L83 K84 N85 D89 T90 V91	L83-Q87 WeakPolarHBondContact O-CB 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 3.43Å; K84-Q87 PolarHBondContact O-N 2.94Å; N85-Q87 VanDerWaalsContact C-N 3.33Å; N85-Q87 PolarHBondContact O-N 3.43Å; Q87-D89 VanDerWaalsContact C-N 3.34Å; Q87-D89 PolarHBondContact O-N 3.48Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-N 3.5Å; Q87-T90 PolarHBondContact O-OG1 2.82Å; Q87-V91 WeakPolarHBondContact O-CG2 3.44Å; Q87-V91 PolarHBondContact O-N 2.97Å
88	R	87.9	Confident	86.1	Confident	165 Å²	165	103.7 Å²	103.7	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-59.6	-45.7	175.1	-173.7	-178.3	-179	176.7	1	111.4	K84 N85 E86 T90 V91 D92	K84-R88 WeakPolarHBondContact O-CB 3.45Å; K84-R88 PolarHBondContact O-N 2.94Å; N85-R88 WeakPolarHBondContact O-CB 3.37Å; N85-R88 PolarHBondContact O-N 3.48Å; N85-R88 VanDerWaalsContact O-N 3.15Å; E86-R88 PolarHBondContact O-N 3.39Å; R88-T90 VanDerWaalsContact C-N 3.33Å; R88-T90 PolarHBondContact O-N 3.21Å; R88-V91 PolarHBondContact O-N 3.14Å; R88-D92 PolarHBondContact O-N 3.41Å
89	D	88	Confident	85.8	Confident	95 Å²	95	105.5 Å²	105.5	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-41.3	177.9	-66.9	-17.9	0	0	0	111.4	N85 E86 Q87 V91 D92 I93	N85-D89 PolarHBondContact O-N 2.91Å; E86-D89 PolarHBondContact O-N 3.28Å; Q87-D89 VanDerWaalsContact C-N 3.34Å; Q87-D89 PolarHBondContact O-N 3.48Å; D89-V91 PolarHBondContact O-N 3.19Å; D89-D92 PolarHBondContact O-N 3.48Å; D89-I93 WeakPolarHBondContact O-CD1 3.41Å; D89-I93 WeakPolarHBondContact O-CG1 3.32Å; D89-I93 PolarHBondContact O-N 3.41Å
90	T	88.3	Confident	85.5	Confident	74 Å²	74	105.3 Å²	105.3	45%	0.454	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175.8	58.4	0	0	0	0	112.8	E86 Q87 R88 I93 I94	E86-T90 WeakPolarHBondContact O-CG2 3.39Å; E86-T90 PolarHBondContact O-N 3.3Å; E86-T90 PolarHBondContact O-OG1 3.27Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-N 3.5Å; Q87-T90 PolarHBondContact O-OG1 2.82Å; R88-T90 VanDerWaalsContact C-N 3.33Å; R88-T90 PolarHBondContact O-N 3.21Å; T90-I93 PolarHBondContact O-N 3.42Å; T90-I94 WeakPolarHBondContact O-CD1 3.35Å; T90-I94 VanDerWaalsContact O-CG1 3.25Å; T90-I94 WeakPolarHBondContact O-CG1 3.45Å; T90-I94 PolarHBondContact O-N 3.02Å
91	V	85.4	Confident	84.9	Confident	86 Å²	86	105.3 Å²	105.3	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-44.4	176.1	171.6	0	0	0	0	110.7	Q87 R88 D89 I93 I94 E95	Q87-V91 WeakPolarHBondContact O-CG2 3.44Å; Q87-V91 PolarHBondContact O-N 2.97Å; R88-V91 PolarHBondContact O-N 3.14Å; D89-V91 PolarHBondContact O-N 3.19Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 2.91Å; V91-I94 PolarHBondContact O-N 3.47Å; V91-I94 VanDerWaalsContact O-N 3.14Å; V91-E95 WeakPolarHBondContact O-CB 3.47Å; V91-E95 PolarHBondContact O-N 2.95Å
92	D	88.7	Confident	83.5	Confident	57 Å²	57	103.7 Å²	103.7	31%	0.305	53%	0.527	S	S	.	.	H	α-helix	trans	-60.6	-38.9	175.8	-83	18.6	0	0	0	111.6	R88 D89 R96	R88-D92 PolarHBondContact O-N 3.41Å; D89-D92 PolarHBondContact O-N 3.48Å; D92-R96 WeakPolarHBondContact O-CG 3.25Å; D92-R96 PolarHBondContact O-N 3.04Å
93	I	87.4	Confident	81.9	Confident	80 Å²	80	107.5 Å²	107.5	41%	0.41	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-46.4	173.8	-68.9	162.9	0	0	0	110.5	D89 T90 V91 R96 L97	D89-I93 WeakPolarHBondContact O-CD1 3.41Å; D89-I93 WeakPolarHBondContact O-CG1 3.32Å; D89-I93 PolarHBondContact O-N 3.41Å; T90-I93 PolarHBondContact O-N 3.42Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 2.91Å; I93-R96 PolarHBondContact O-N 2.94Å; I93-L97 HydrophobicContact CG2-CD1 3.94Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 WeakPolarHBondContact O-CG 2.86Å; I93-L97 PolarHBondContact O-N 3.3Å
94	I	83.9	Confident	79.9	Confident	108 Å²	108	107.8 Å²	107.8	55%	0.554	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-41.9	179.4	-68.7	164	0	0	0	110.8	T90 V91 L97 Y98	T90-I94 WeakPolarHBondContact O-CD1 3.35Å; T90-I94 VanDerWaalsContact O-CG1 3.25Å; T90-I94 WeakPolarHBondContact O-CG1 3.45Å; T90-I94 PolarHBondContact O-N 3.02Å; V91-I94 PolarHBondContact O-N 3.47Å; V91-I94 VanDerWaalsContact O-N 3.14Å; I94-L97 PolarHBondContact O-N 3.37Å; I94-Y98 VanDerWaalsContact O-CB 3.32Å; I94-Y98 WeakPolarHBondContact O-CB 3.22Å; I94-Y98 PolarHBondContact O-N 2.8Å
95	E	82.8	Confident	77.7	Confident	112 Å²	112	109.4 Å²	109.4	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-62	-45	177.5	-172	176.2	-162.7	0	0	111.1	V91 L97 Y98 L99	V91-E95 WeakPolarHBondContact O-CB 3.47Å; V91-E95 PolarHBondContact O-N 2.95Å; E95-L97 PolarHBondContact O-N 2.96Å; E95-Y98 PolarHBondContact O-N 3.35Å; E95-L99 HydrophobicContact CG-CD1 3.96Å; E95-L99 WeakPolarHBondContact O-CB 3.39Å; E95-L99 VanDerWaalsContact O-CG 3.29Å; E95-L99 WeakPolarHBondContact O-CG 3.3Å; E95-L99 PolarHBondContact O-N 3.09Å
96	R	86.3	Confident	75.6	Confident	149 Å²	149	112.9 Å²	112.9	56%	0.562	59%	0.59	S	S	*	*	H	α-helix	trans	-59.7	-45.2	173.6	-74.2	-170.8	-62.6	-95.6	5.2	112.2	D92 I93 S100	D92-R96 WeakPolarHBondContact O-CG 3.25Å; D92-R96 PolarHBondContact O-N 3.04Å; I93-R96 PolarHBondContact O-N 2.94Å; R96-S100 VanDerWaalsContact O-CB 3.3Å; R96-S100 WeakPolarHBondContact O-CB 3.19Å; R96-S100 PolarHBondContact O-N 2.93Å; R96-S100 PolarHBondContact O-OG 3.23Å; R96-S100 VanDerWaalsContact O-OG 3.09Å
97	L	83.6	Confident	73.5	Confident	108 Å²	108	115.3 Å²	115.3	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-63.9	-44.2	178.4	-72.8	172.7	0	0	0	111.4	I93 I94 E95 S100 S101	I93-L97 HydrophobicContact CG2-CD1 3.94Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 WeakPolarHBondContact O-CG 2.86Å; I93-L97 PolarHBondContact O-N 3.3Å; I94-L97 PolarHBondContact O-N 3.37Å; E95-L97 PolarHBondContact O-N 2.96Å; L97-S100 WeakPolarHBondContact CA-OG 3.47Å; L97-S100 PolarHBondContact O-N 3.27Å; L97-S100 PolarHBondContact O-OG 3.38Å; L97-S101 PolarHBondContact O-N 3.39Å
98	Y	80.8	Confident	71.6	Confident	181 Å²	181	117.4 Å²	117.4	71%	0.71	61%	0.612	S	S	*	*	H	α-helix	trans	-61.7	-49.4	178.6	-174.8	-100.6	0	0	0	111.7	I94 E95 S100 S101 G102	I94-Y98 VanDerWaalsContact O-CB 3.32Å; I94-Y98 WeakPolarHBondContact O-CB 3.22Å; I94-Y98 PolarHBondContact O-N 2.8Å; E95-Y98 PolarHBondContact O-N 3.35Å; Y98-S100 VanDerWaalsContact C-N 3.3Å; Y98-S100 PolarHBondContact O-N 3.47Å; Y98-S101 PolarHBondContact O-N 3.13Å; Y98-S101 PolarHBondContact O-OG 2.96Å; Y98-G102 PolarHBondContact O-N 2.95Å
99	L	80.2	Confident	69.2	Low	108 Å²	108	116.9 Å²	116.9	57%	0.565	62%	0.621	S	S	*	*	H	α-helix	trans	-63.6	-33.7	177.3	-70.7	169.3	0	0	0	112.7	E95	E95-L99 HydrophobicContact CG-CD1 3.96Å; E95-L99 WeakPolarHBondContact O-CB 3.39Å; E95-L99 VanDerWaalsContact O-CG 3.29Å; E95-L99 WeakPolarHBondContact O-CG 3.3Å; E95-L99 PolarHBondContact O-N 3.09Å
100	S	77.6	Confident	66.9	Low	77 Å²	77	120 Å²	120	54%	0.538	64%	0.638	S	S	.	*	H	α-helix	trans	-74.8	-31	176	68.1	0	0	0	0	113.4	R96 L97 Y98	R96-S100 VanDerWaalsContact O-CB 3.3Å; R96-S100 WeakPolarHBondContact O-CB 3.19Å; R96-S100 PolarHBondContact O-N 2.93Å; R96-S100 PolarHBondContact O-OG 3.23Å; R96-S100 VanDerWaalsContact O-OG 3.09Å; L97-S100 WeakPolarHBondContact CA-OG 3.47Å; L97-S100 PolarHBondContact O-N 3.27Å; L97-S100 PolarHBondContact O-OG 3.38Å; Y98-S100 VanDerWaalsContact C-N 3.3Å; Y98-S100 PolarHBondContact O-N 3.47Å
101	S	70	Confident	64.5	Low	85 Å²	85	120.2 Å²	120.2	59%	0.594	65%	0.654	S	S	*	*	H	α-helix	trans	-79.8	-16.4	179	82.5	0	0	0	0	114	L97 Y98 K103	L97-S101 PolarHBondContact O-N 3.39Å; Y98-S101 PolarHBondContact O-N 3.13Å; Y98-S101 PolarHBondContact O-OG 2.96Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 2.69Å
102	G	57.1	Low	62.2	Low	66 Å²	66	123.6 Å²	123.6	68%	0.68	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	6	178.4	0	0	0	0	0	115.4	Y98	Y98-G102 PolarHBondContact O-N 2.95Å
103	K	55	Low	59.7	Low	187 Å²	187	131.2 Å²	131.2	81%	0.813	70%	0.701	S	S	*	*			trans	-122.3	68.6	-179.5	-65.2	-175	-177.7	-179.3	0	111.2	S101	S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 2.69Å
104	S	44.7	Very low	57.2	Low	90 Å²	90	131.9 Å²	131.9	63%	0.629	71%	0.712	S	S	*	*			trans	-147.3	136.1	160.1	53.6	0	0	0	0	107.8
105	D	41.6	Very low	55.1	Low	156 Å²	156	135.4 Å²	135.4	83%	0.834	73%	0.726	S	S	*	*			trans	102.3	64.6	-179.9	-49.1	-16.1	0	0	0	115.3
106	V	43.9	Very low	52.9	Low	147 Å²	147	137.4 Å²	137.4	89%	0.891	74%	0.736	S	S	*	*			trans	-139.7	115.2	146.6	-176.5	0	0	0	0	109
107	E	44	Very low	50.7	Low	172 Å²	172	136.6 Å²	136.6	80%	0.804	74%	0.742	S	S	*	*			trans	-74.8	142.2	173.7	-68.1	-173.2	146.6	0	0	112.4
108	Q	46	Very low	48.5	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.762	75%	0.754	S	S	*	*			trans	33.6	114.4	142.8	-55.7	-176.5	9.6	0	0	119.8
109	N	39.2	Very low	46.4	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	76%	0.759	S	S	*	*				-180	141.9	106.2	-102.4	-39.5	0	0	0	112.5
110	D	37.8	Very low	44.4	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	77%	0.77	S	S	*	*			trans	-67.8	154	-179.6	-56.7	-55.2	0	0	0	113.5
111	G	39.5	Very low	42.3	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	78%	0.782	S	S	*	*			trans	151	91.2	159.6	0	0	0	0	0	115.8
112	N	36.4	Very low	40.7	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	79%	0.793	S	S	*	*			trans	-41.3	139.6	170.4	-68.7	-26.3	0	0	0	115.3
113	F	35.3	Very low	39.6	Very low	218 Å²	218	149.2 Å²	149.2	96%	0.956	79%	0.786	S	S	*	*			trans	-156.7	126.7	133.4	-113.5	-82.2	0	0	0	109.9
114	S	36.5	Very low	38.5	Very low	94 Å²	94	148.4 Å²	148.4	66%	0.657	79%	0.79	S	S	*	*			trans	-84	168.3	-176	-45.7	0	0	0	0	113.1
115	E	39	Very low	38	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	79%	0.791	S	S	*	*			trans	73.1	135.4	160.5	-76.5	163.7	164.2	0	0	115.6
116	E	37.1	Very low	37.6	Very low	154 Å²	154	150.8 Å²	150.8	72%	0.72	79%	0.788	S	S	*	*			cis	-172.1	157.4	13.7	-142.5	-178.2	157.9	0	0	107.4
117	L	39.3	Very low	37.1	Very low	133 Å²	133	149.6 Å²	149.6	70%	0.696	78%	0.781	S	S	*	*			trans	73.4	102.8	155.8	-53.7	172.2	0	0	0	120.2
118	D	37.6	Very low	36.4	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	78%	0.781	S	S	*	*				159.2	127.5	83.1	-100.1	-12.9	0	0	0	111.8
119	E	36.1	Very low	35.7	Very low	175 Å²	175	148.1 Å²	148.1	82%	0.818	78%	0.784	S	S	*	*			trans	-75.8	134.1	-178.5	-64.1	174.9	157.8	0	0	112.1
120	I	38.1	Very low	35.5	Very low	155 Å²	155	149.6 Å²	149.6	80%	0.795	79%	0.786	S	S	*	*			trans	-125.8	94.9	154.9	-61.9	179.4	0	0	0	107.8	I122	I120-I122 HydrophobicContact CG2-CG1 4.31Å
121	E	33.5	Very low	35.2	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	79%	0.788	S	S	*	*			trans	-65.5	129.2	160.1	-68.1	-176.2	138.9	0	0	110
122	I	37.1	Very low	34.7	Very low	161 Å²	161	154.4 Å²	154.4	83%	0.826	79%	0.792	S	S	*	*			trans	-116.1	105.2	154.9	-62.7	-179.7	0	0	0	107.9	I120	I120-I122 HydrophobicContact CG2-CG1 4.31Å
123	S	34.9	Very low	34.5	Very low	75 Å²	75	151.9 Å²	151.9	52%	0.524	79%	0.787	S	S	.	*			trans	-49.9	132.7	-180	-142.6	0	0	0	0	114.8	N125	S123-N125 PolarHBondContact OG-ND2 3.15Å
124	N	32	Very low	34.2	Very low	169 Å²	169	150.2 Å²	150.2	90%	0.904	78%	0.78	S	S	*	*			trans	-126.8	68.8	148.6	-88.3	-31.8	0	0	0	107.4
125	N	34.3	Very low	34	Very low	120 Å²	120	154.4 Å²	154.4	64%	0.642	79%	0.789	S	S	*	*			trans	-83.6	123.6	174	-86.3	-27.8	0	0	0	110.9	S123	S123-N125 PolarHBondContact OG-ND2 3.15Å
126	F	31.4	Very low	33.7	Very low	177 Å²	177	150.3 Å²	150.3	78%	0.776	78%	0.781	S	S	*	*				45.5	119.6	121.2	-81.5	-94.5	0	0	0	116.5
127	T	34.3	Very low	33.5	Very low	121 Å²	121	149.1 Å²	149.1	74%	0.742	78%	0.784	S	S	*	*				-177.7	126.5	67.2	25.6	0	0	0	0	110.3
128	N	29.5	Very low	33	Very low	150 Å²	150	150.8 Å²	150.8	80%	0.802	79%	0.787	S	S	*	*			trans	-57	132.3	140.3	-75.3	-46.2	0	0	0	108.2
129	N	31.6	Very low	32.6	Very low	154 Å²	154	149 Å²	149	82%	0.824	79%	0.786	S	S	*	*			trans	172.5	144.6	135.8	-87.3	-21.7	0	0	0	111.8
130	Q	34.5	Very low	32.3	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	78%	0.784	S	S	*	*			trans	98.9	72	169.6	-57.8	-169.5	46.9	0	0	117.5
131	L	30.5	Very low	31.8	Very low	171 Å²	171	142 Å²	142	90%	0.895	78%	0.781	S	S	*	*			trans	-132.6	106.4	137.1	-84	168.6	0	0	0	107.2
132	N	29	Very low	31.9	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	78%	0.776	S	S	*	*			trans	-169.2	99	156.1	-96.3	-15	0	0	0	109
133	S	32.3	Very low	31.8	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.772	S	S	*	*			trans	-168.2	102.6	141.8	-175.5	0	0	0	0	108.7
134	F	30.6	Very low	31.8	Very low	183 Å²	183	140.9 Å²	140.9	80%	0.803	78%	0.778	S	S	*	*				33.9	124.4	122.9	-70.1	-90.5	0	0	0	115.3
135	E	32.6	Very low	31.7	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	77%	0.772	S	S	*	*				-167	151.9	62.7	-152.4	150.5	-172.1	0	0	111.8
136	S	30.7	Very low	31.5	Very low	96 Å²	96	141 Å²	141	67%	0.671	78%	0.778	S	S	*	*			trans	-58.1	158.7	-174.4	58.2	0	0	0	0	116.3
137	V	32.9	Very low	31.5	Very low	129 Å²	129	139.7 Å²	139.7	78%	0.782	78%	0.778	S	S	*	*				177.9	113.6	114.4	157.1	0	0	0	0	109.8
138	H	30.4	Very low	31.6	Very low	167 Å²	167	142.5 Å²	142.5	77%	0.773	78%	0.783	S	S	*	*			trans	60.7	100	140	-140.7	-48.9	0	0	0	119.3
139	C	27.9	Very low	31.7	Very low	116 Å²	116	143.6 Å²	143.6	78%	0.784	78%	0.783	S	S	*	*				69.3	120.4	73.8	-178.6	0	0	0	0	115.4
140	G	30.8	Very low	31.8	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	78%	0.784	S	S	*	*			trans	178.6	59.5	171.5	0	0	0	0	0	112.1
141	C	27.7	Very low	31.6	Very low	107 Å²	107	139 Å²	139	72%	0.723	77%	0.774	S	S	*	*			trans	-70.9	154.6	168.3	-163.6	0	0	0	0	110.3
142	N	34.2	Very low	31.9	Very low	131 Å²	131	136.7 Å²	136.7	70%	0.701	77%	0.768	S	S	*	*			trans	-175.1	116.9	134.5	-87.3	-27.2	0	0	0	112.5
143	Q	36.7	Very low	32	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	77%	0.766	S	S	*	*			trans	67.5	137.8	130.3	-55.2	168	37.6	0	0	117.4
144	S	33.2	Very low	32	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	77%	0.767	S	S	*	*			cis	-166.9	130.9	11.7	-113.9	0	0	0	0	106.4
145	T	30.8	Very low	32.2	Very low	126 Å²	126	137.9 Å²	137.9	77%	0.773	77%	0.771	S	S	*	*				45.1	125.4	110	61.8	0	0	0	0	117.8
146	H	31.2	Very low	32	Very low	166 Å²	166	137 Å²	137	77%	0.769	77%	0.767	S	S	*	*				156.2	116.1	111.2	-162.1	-67.3	0	0	0	111.9
147	L	30.6	Very low	32.1	Very low	149 Å²	149	139.4 Å²	139.4	78%	0.78	77%	0.771	S	S	*	*			trans	-75.1	147.7	169.2	-76.2	137	0	0	0	111.1
148	Q	35.3	Very low	32.2	Very low	179 Å²	179	140.2 Å²	140.2	84%	0.836	77%	0.766	S	S	*	*				-175.7	145.4	123.3	-99.3	170	32.4	0	0	113.7
149	H	32	Very low	32.5	Very low	173 Å²	173	138.5 Å²	138.5	80%	0.801	76%	0.763	S	S	*	*			trans	-62.7	158.3	178.6	-101.8	-106.7	0	0	0	114.1
150	E	34.8	Very low	32.9	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	76%	0.762	S	S	*	*				-179	142.9	115.8	-87.8	-65	127.8	0	0	109
151	G	30.4	Very low	33.2	Very low	63 Å²	63	147 Å²	147	65%	0.649	77%	0.767	S	S	*	*			trans	-72.6	-175.2	-173.5	0	0	0	0	0	115
152	P	35.8	Very low	33.5	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	77%	0.773	S	S	*	*				-151.5	166.1	59.8	36.9	-14.4	0	0	0	118.5
153	E	31.3	Very low	33.5	Very low	181 Å²	181	154.1 Å²	154.1	85%	0.846	78%	0.778	S	S	*	*			trans	52.5	120.6	143.4	-69.3	-178	161.2	0	0	124.3
154	S	32.7	Very low	33.6	Very low	106 Å²	106	152 Å²	152	74%	0.741	78%	0.781	S	S	*	*			trans	66.5	110.4	135.4	-70.6	0	0	0	0	120.5
155	Q	33.4	Very low	33.6	Very low	192 Å²	192	156.9 Å²	156.9	90%	0.897	79%	0.79	S	S	*	*				-175.5	126.1	101.3	-94.7	170.7	25.9	0	0	111.3
156	H	28.9	Very low	33.6	Very low	164 Å²	164	155.4 Å²	155.4	76%	0.759	79%	0.791	S	S	*	*			trans	-56.3	129.1	172.7	-83.1	-103.7	0	0	0	112.7
157	I	33.6	Very low	33.9	Very low	147 Å²	147	157.4 Å²	157.4	75%	0.754	80%	0.797	S	S	*	*			trans	-138.1	99.4	143.2	-59.1	-177.5	0	0	0	107.5	N159	I157-N159 PolarHBondContact O-N 3.49Å
158	E	35.5	Very low	34.1	Very low	145 Å²	145	158.9 Å²	158.9	68%	0.678	80%	0.8	S	S	*	*			trans	-71.3	110.8	167.3	-74.4	176.9	163.7	0	0	109
159	N	36.3	Very low	33.9	Very low	131 Å²	131	156.6 Å²	156.6	70%	0.701	80%	0.803	S	S	*	*			trans	-109.9	88.9	160	-79.8	-29.4	0	0	0	108.1	I157 Y161	I157-N159 PolarHBondContact O-N 3.49Å; N159-Y161 PolarHBondContact O-N 2.88Å
160	N	35.3	Very low	33.9	Very low	145 Å²	145	155.3 Å²	155.3	78%	0.775	80%	0.802	S	S	*	*			trans	-69.3	105.6	167.1	-75.9	-33.6	0	0	0	109
161	Y	36.9	Very low	33.9	Very low	226 Å²	226	154.6 Å²	154.6	89%	0.886	80%	0.803	S	S	*	*			trans	-98.4	101.9	155.4	-85	-83.8	0	0	0	107.3	N159	N159-Y161 PolarHBondContact O-N 2.88Å
162	E	34.3	Very low	34.2	Very low	180 Å²	180	156.6 Å²	156.6	84%	0.841	81%	0.806	S	S	*	*			trans	-127.8	131.4	163.8	-158.5	157.7	-157.2	0	0	111.3
163	Y	34.8	Very low	33.9	Very low	207 Å²	207	159.7 Å²	159.7	81%	0.812	81%	0.811	S	S	*	*			trans	-102.6	122.2	-165.2	175.1	-87.5	0	0	0	107.9
164	S	37.9	Very low	34.3	Very low	114 Å²	114	156.4 Å²	156.4	80%	0.797	80%	0.803	S	S	*	*			trans	-179.5	142.2	166.6	-80.1	0	0	0	0	107.8
165	K	34.3	Very low	34.5	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.857	81%	0.806	S	S	*	*			cis	-171.8	142.5	-9.1	-177.7	169.8	179.6	175.7	0	103.5
166	A	30.5	Very low	34.5	Very low	96 Å²	96	155.9 Å²	155.9	79%	0.793	80%	0.801	S	S	*	*			trans	-50.4	137.2	-177.1	0	0	0	0	0	113.5
167	K	38.3	Very low	35.1	Very low	208 Å²	208	157.4 Å²	157.4	90%	0.904	81%	0.808	S	S	*	*			trans	-117.8	112.2	153.6	-85.1	-173.3	175.5	-177.5	0	107.8
168	E	33.2	Very low	35.3	Very low	180 Å²	180	159.8 Å²	159.8	84%	0.841	82%	0.816	S	S	*	*			trans	-57.3	138.5	160.8	-65.4	166	158.2	0	0	109.4
169	C	31.6	Very low	35.4	Very low	131 Å²	131	158.6 Å²	158.6	89%	0.885	82%	0.822	S	S	*	*			trans	-163	135	142.2	-101.4	0	0	0	0	109.9
170	N	31.7	Very low	35.6	Very low	146 Å²	146	155.9 Å²	155.9	78%	0.781	83%	0.825	S	S	*	*			trans	-77.8	175.7	-167.4	-67.3	-59.3	0	0	0	114.6
171	L	34.7	Very low	35.4	Very low	167 Å²	167	154.8 Å²	154.8	87%	0.874	83%	0.828	S	S	*	*			trans	80.3	131	168.8	-71.1	97.5	0	0	0	114.7
172	S	36.9	Very low	35.6	Very low	104 Å²	104	149 Å²	149	73%	0.727	82%	0.82	S	S	*	*			cis	-161.6	147.8	16.9	37.1	0	0	0	0	109.7
173	E	30.9	Very low	35.8	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	82%	0.82	S	S	*	*			trans	-48.7	138.5	170.5	-71.9	152.9	140.9	0	0	112.5
174	T	38	Very low	36	Very low	111 Å²	111	144.9 Å²	144.9	68%	0.681	81%	0.813	S	S	*	*			trans	-168.7	114.8	145.9	28.1	0	0	0	0	110.7
175	H	36.8	Very low	35.8	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.806	81%	0.807	S	S	*	*			trans	69	109.2	146.4	-46.9	-56	0	0	0	120.7
176	S	35.1	Very low	36.2	Very low	113 Å²	113	143.4 Å²	143.4	79%	0.79	81%	0.806	S	S	*	*			trans	-28.1	140.1	151.3	-46.7	0	0	0	0	115.4
177	E	40.5	Very low	36.6	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	81%	0.806	S	S	*	*				-156.8	121.1	124.7	-106.7	170.2	-144.3	0	0	109.8
178	E	37.6	Very low	36.7	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	80%	0.8	S	S	*	*			trans	-68	124.2	175.9	-64.9	172.5	143.2	0	0	109.5
179	C	38.6	Very low	37	Very low	119 Å²	119	141.4 Å²	141.4	80%	0.804	79%	0.793	S	S	*	*			trans	-114.7	95.2	167.5	-169.6	0	0	0	0	110.1
180	G	40.1	Very low	37.5	Very low	74 Å²	74	141.7 Å²	141.7	76%	0.763	79%	0.791	S	S	*	*			trans	-78.5	110.2	171.4	0	0	0	0	0	111.4	S182	G180-S182 PolarHBondContact O-N 2.93Å
181	C	30.7	Very low	37.8	Very low	123 Å²	123	140 Å²	140	83%	0.831	79%	0.786	S	S	*	*			trans	-80.3	103.8	168.8	-76.5	0	0	0	0	110.5
182	S	41.2	Very low	38	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	78%	0.779	S	S	*	*			trans	-129.9	120.6	160	-61.1	0	0	0	0	108.4	G180	G180-S182 PolarHBondContact O-N 2.93Å
183	K	37.6	Very low	38.1	Very low	191 Å²	191	139 Å²	139	83%	0.83	78%	0.777	S	S	*	*			trans	42.9	134.7	137.6	-66.2	175.4	179.6	170.5	0	117.4
184	T	39.5	Very low	38.6	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	77%	0.77	S	S	*	*			cis	174.7	149.8	26.9	15	0	0	0	0	105
185	E	34.7	Very low	38.7	Very low	140 Å²	140	138.5 Å²	138.5	65%	0.654	78%	0.777	S	S	*	*			trans	-55.5	138.7	169.9	-70.6	126.1	-152.5	0	0	112.2	R285	E185-R285 IonicContact OE1-CZ 2.79Å; E185-R285 IonicContact OE1-NH1 3.64Å; E185-R285 PolarHBondContact OE1-NH1 3.41Å; E185-R285 IonicContact OE1-NH2 3.4Å; E185-R285 IonicContact OE2-NH1 3.53Å; E185-R285 PolarHBondContact OE2-NH1 2.84Å
186	T	42.4	Very low	38.9	Very low	139 Å²	139	138.3 Å²	138.3	85%	0.853	78%	0.776	S	S	*	*			trans	-147.9	129.4	144.9	19.1	0	0	0	0	108.3
187	D	37.9	Very low	39.1	Very low	147 Å²	147	142 Å²	142	79%	0.786	78%	0.78	S	S	*	*			trans	-67.6	147.9	179.9	-55.3	-58.8	0	0	0	112.2
188	E	40.8	Very low	39.1	Very low	164 Å²	164	136.6 Å²	136.6	77%	0.766	76%	0.764	S	S	*	*				157.2	121.1	115.6	-80.2	-143.9	-167.7	0	0	111.7
189	N	40.6	Very low	39.3	Very low	132 Å²	132	136 Å²	136	71%	0.706	76%	0.759	S	S	*	*			trans	45.1	112.4	134.5	-56.2	-32.3	0	0	0	118.3
190	T	40.5	Very low	39.3	Very low	137 Å²	137	135.7 Å²	135.7	84%	0.84	75%	0.753	S	S	*	*				-170.1	137.9	111.8	-61.5	0	0	0	0	109.8
191	T	38.1	Very low	39.2	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	76%	0.762	S	S	*	*			trans	-68.4	170.7	-178	48.1	0	0	0	0	114.9
192	N	40.5	Very low	39.5	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	76%	0.758	S	S	*	*			trans	106.3	91.5	164.6	-57.1	-20.5	0	0	0	113.5
193	T	38.6	Very low	39.4	Very low	111 Å²	111	148.5 Å²	148.5	68%	0.681	77%	0.765	S	S	*	*				66.6	120.7	86.6	62.3	0	0	0	0	113.8
194	D	39.9	Very low	39.7	Very low	133 Å²	133	148.6 Å²	148.6	71%	0.711	77%	0.768	S	S	*	*			trans	65.7	102.4	148.6	-48	-20.8	0	0	0	117.7
195	N	41.1	Very low	40.1	Very low	155 Å²	155	148.4 Å²	148.4	83%	0.829	77%	0.771	S	S	*	*				178.9	137.3	97.7	-97	-50.6	0	0	0	112.7	H197	N195-H197 PolarHBondContact O-N 3.33Å
196	H	40.7	Very low	40.8	Very low	171 Å²	171	146.8 Å²	146.8	79%	0.792	78%	0.775	S	S	*	*			trans	-50.5	126	163.5	-72.3	-89.9	0	0	0	111.8
197	H	39.6	Very low	40.8	Very low	190 Å²	190	146.3 Å²	146.3	88%	0.88	78%	0.775	S	S	*	*			trans	-144.9	93.9	136	-101.8	-35.8	0	0	0	111.1	N195	N195-H197 PolarHBondContact O-N 3.33Å
198	S	40.9	Very low	41.6	Very low	84 Å²	84	144.6 Å²	144.6	59%	0.587	77%	0.774	S	S	*	*			trans	-50.9	156.1	149.1	51.8	0	0	0	0	111.9
199	K	40.5	Very low	41.8	Very low	184 Å²	184	141.6 Å²	141.6	80%	0.8	78%	0.777	S	S	*	*			trans	96.9	130.6	168.8	-60.1	174.8	-178.7	176.3	0	111.8
200	T	40.1	Very low	42.4	Very low	112 Å²	112	141.5 Å²	141.5	69%	0.687	78%	0.782	S	S	*	*			cis	-172.5	139.3	17.5	4.1	0	0	0	0	106.7	V202	T200-V202 PolarHBondContact O-N 2.89Å
201	F	36.7	Very low	43.1	Very low	217 Å²	217	138.5 Å²	138.5	95%	0.952	77%	0.767	S	S	*	*			trans	-57.2	104.2	158.6	-90	-99.2	0	0	0	108	R203	F201-R203 PolarHBondContact O-N 3.48Å
202	V	38.4	Very low	43.5	Very low	124 Å²	124	146 Å²	146	75%	0.752	78%	0.783	S	S	*	*			trans	-82	104.9	172.5	177.2	0	0	0	0	107.1	T200 E204	T200-V202 PolarHBondContact O-N 2.89Å; V202-E204 PolarHBondContact O-N 2.83Å
203	R	39.5	Very low	44.2	Very low	229 Å²	229	149.2 Å²	149.2	86%	0.864	78%	0.784	S	S	*	*			trans	-52.9	114.1	162.2	-178.7	-179.4	-176.9	-165.7	1.1	108.4	F201 S205	F201-R203 PolarHBondContact O-N 3.48Å; R203-S205 PolarHBondContact O-N 3.18Å
204	E	43.3	Very low	45.1	Very low	194 Å²	194	153.1 Å²	153.1	91%	0.907	79%	0.794	S	S	*	*			trans	-58.5	105.2	169.3	-75.9	175.7	159.9	0	0	109	V202	V202-E204 PolarHBondContact O-N 2.83Å
205	S	47	Very low	46.1	Very low	105 Å²	105	154.7 Å²	154.7	73%	0.734	80%	0.797	S	S	*	*			trans	-81	132	168.5	50.9	0	0	0	0	109.6	R203	R203-S205 PolarHBondContact O-N 3.18Å
206	S	49.8	Very low	47.4	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	79%	0.792	S	S	*	*			trans	-27.6	148.3	169	50	0	0	0	0	117.2
207	P	43.3	Very low	49.1	Very low	130 Å²	130	151.6 Å²	151.6	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78	130.7	-169.7	33	-33.2	0	0	0	111.8
208	S	54.1	Low	50.9	Low	110 Å²	110	148.2 Å²	148.2	77%	0.769	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-87.5	127.8	167	57.1	0	0	0	0	110.6	T210	S208-T210 PolarHBondContact O-N 3.28Å
209	A	44.3	Very low	52.9	Low	101 Å²	101	149.1 Å²	149.1	84%	0.835	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-51.6	121.8	-178.6	0	0	0	0	0	113.5
210	T	53.8	Low	54.9	Low	131 Å²	131	147.3 Å²	147.3	80%	0.804	78%	0.78	S	S	*	*			trans	-152.9	115.4	162.4	-66.3	0	0	0	0	109.8	S208	S208-T210 PolarHBondContact O-N 3.28Å
211	S	55.8	Low	57.1	Low	74 Å²	74	144.7 Å²	144.7	52%	0.517	77%	0.766	S	S	.	*			trans	51.5	99.3	160	-167.3	0	0	0	0	117.4	R213	S211-R213 VanDerWaalsContact C-N 3.33Å; S211-R213 PolarHBondContact O-N 3.18Å
212	W	46.2	Very low	59.6	Low	269 Å²	269	141.9 Å²	141.9	100%	1.019	75%	0.753	S	S	*	*			trans	-57.3	91.8	161.9	-82.5	72.7	0	0	0	110.2
213	R	55.2	Low	61.9	Low	203 Å²	203	142.9 Å²	142.9	77%	0.766	75%	0.75	S	S	*	*			trans	-107	140.3	160.1	-57.3	-161.5	-152.1	-97.9	5	107.5	S211 H215	S211-R213 VanDerWaalsContact C-N 3.33Å; S211-R213 PolarHBondContact O-N 3.18Å; R213-H215 PolarHBondContact O-N 3.28Å
214	H	57.8	Low	64	Low	193 Å²	193	137.9 Å²	137.9	89%	0.894	74%	0.737	S	S	*	*			trans	-62.6	83.1	172.9	-74.2	-120.9	0	0	0	109.3	I216	H214-I216 PolarHBondContact O-N 3.49Å; H214-I216 VanDerWaalsContact O-N 3.12Å
215	H	61.2	Low	66.1	Low	166 Å²	166	130.9 Å²	130.9	77%	0.769	71%	0.708	S	S	*	*			trans	-74.8	100.1	170.6	-164.5	-54.6	0	0	0	106.2	R213 T217	R213-H215 PolarHBondContact O-N 3.28Å; H215-T217 PolarHBondContact O-N 3Å
216	I	68.1	Low	67.9	Low	139 Å²	139	130.4 Å²	130.4	71%	0.713	69%	0.693	S	S	*	*			trans	-58.2	112.2	167	-69	169.7	0	0	0	105.9	H214 V218	H214-I216 PolarHBondContact O-N 3.49Å; H214-I216 VanDerWaalsContact O-N 3.12Å; I216-V218 VanDerWaalsContact C-N 3.34Å; I216-V218 HydrophobicContact CG2-CG2 4.08Å; I216-V218 PolarHBondContact O-N 3.32Å
217	T	75.1	Confident	69.7	Low	123 Å²	123	131.2 Å²	131.2	76%	0.755	68%	0.68	S	S	*	*			trans	-69.4	94.6	175.3	-54.1	0	0	0	0	107.8	H215 P219	H215-T217 PolarHBondContact O-N 3Å; T217-P219 WeakPolarHBondContact O-CD 3.49Å
218	V	78.2	Confident	71.8	Confident	118 Å²	118	129.8 Å²	129.8	72%	0.715	66%	0.662	S	S	*	*			trans	-83.5	111.3	166.2	-175.8	0	0	0	0	106.2	I216 E220	I216-V218 VanDerWaalsContact C-N 3.34Å; I216-V218 HydrophobicContact CG2-CG2 4.08Å; I216-V218 PolarHBondContact O-N 3.32Å; V218-E220 PolarHBondContact O-N 2.94Å
219	P	81.9	Confident	73.2	Confident	103 Å²	103	129.1 Å²	129.1	67%	0.669	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59	139.1	-179.5	18.6	-26.2	0	0	0	110.4	T217	T217-P219 WeakPolarHBondContact O-CD 3.49Å
220	E	83.5	Confident	75	Confident	146 Å²	146	126.9 Å²	126.9	68%	0.682	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.3	174.8	-170.6	-178.7	173.6	0	0	108.9	V218 F222 K226	V218-E220 PolarHBondContact O-N 2.94Å; E220-F222 PolarHBondContact O-N 3.02Å; E220-K226 IonicContact OE1-NZ 3.59Å; E220-K226 PolarHBondContact OE1-NZ 3.35Å
221	P	86.7	Confident	76.2	Confident	58 Å²	58	125.4 Å²	125.4	38%	0.377	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-61.5	134.1	179.7	22.4	-30.9	0	0	0	110	T225 K226	P221-T225 HydrophobicContact CB-CG2 3.96Å; P221-K226 HydrophobicContact CB-CG 4.45Å; P221-K226 HydrophobicContact CG-CG 4.2Å; P221-K226 WeakPolarHBondContact O-CE 3.39Å
222	F	88.3	Confident	77.3	Confident	158 Å²	158	127.9 Å²	127.9	69%	0.693	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-53.3	154.4	174	-40.5	-76.9	0	0	0	110.5	E220 M224 T225 K226	E220-F222 PolarHBondContact O-N 3.02Å; F222-M224 PolarHBondContact O-N 3.39Å; F222-M224 VanDerWaalsContact O-N 3.08Å; F222-T225 WeakPolarHBondContact O-CA 3.33Å; F222-T225 WeakPolarHBondContact O-CB 3.35Å; F222-T225 PolarHBondContact O-N 2.83Å; F222-K226 PolarHBondContact O-N 2.94Å; F222-K226 VanDerWaalsContact O-N 3.08Å
223	E	86.5	Confident	78.8	Confident	145 Å²	145	123.7 Å²	123.7	68%	0.678	60%	0.597	S	S	*	*	H	α-helix	trans	-57.1	-29.3	175.6	-68.4	-155.3	159	0	0	113	K226 R227	E223-K226 PolarHBondContact O-N 2.97Å; E223-R227 WeakPolarHBondContact O-CB 3.47Å; E223-R227 PolarHBondContact O-N 3.15Å; E223-R227 IonicContact OE2-NH2 2.88Å
224	M	83.5	Confident	79.8	Confident	123 Å²	123	118.4 Å²	118.4	61%	0.606	58%	0.583	S	S	*	*	H	α-helix	trans	-59.8	-45	172.4	-164	-172.4	-57.6	0	0	112	F222 R227 E228	F222-M224 PolarHBondContact O-N 3.39Å; F222-M224 VanDerWaalsContact O-N 3.08Å; M224-R227 PolarHBondContact O-N 3.22Å; M224-E228 WeakPolarHBondContact O-CG 3.31Å; M224-E228 PolarHBondContact O-N 3.26Å
225	T	88.1	Confident	80.6	Confident	48 Å²	48	116 Å²	116	29%	0.294	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-44.1	177.2	-49.7	0	0	0	0	111.3	P221 F222 R227 E228 E229	P221-T225 HydrophobicContact CB-CG2 3.96Å; F222-T225 WeakPolarHBondContact O-CA 3.33Å; F222-T225 WeakPolarHBondContact O-CB 3.35Å; F222-T225 PolarHBondContact O-N 2.83Å; T225-R227 VanDerWaalsContact C-N 3.28Å; T225-R227 PolarHBondContact O-N 2.99Å; T225-E228 PolarHBondContact O-N 3.47Å; T225-E229 PolarHBondContact O-N 2.91Å
226	K	85.3	Confident	81	Confident	94 Å²	94	112.9 Å²	112.9	41%	0.409	56%	0.559	S	S	.	*	H	α-helix	trans	-59.7	-39.3	174.8	-64.9	-178.6	-176.6	172.8	0	111.6	E220 P221 F222 E223 S230	E220-K226 IonicContact OE1-NZ 3.59Å; E220-K226 PolarHBondContact OE1-NZ 3.35Å; P221-K226 HydrophobicContact CB-CG 4.45Å; P221-K226 HydrophobicContact CG-CG 4.2Å; P221-K226 WeakPolarHBondContact O-CE 3.39Å; F222-K226 PolarHBondContact O-N 2.94Å; F222-K226 VanDerWaalsContact O-N 3.08Å; E223-K226 PolarHBondContact O-N 2.97Å; K226-S230 PolarHBondContact O-N 3.2Å; K226-S230 VanDerWaalsContact O-N 3.08Å; K226-S230 PolarHBondContact O-OG 3.41Å
227	R	87.6	Confident	81	Confident	124 Å²	124	111.6 Å²	111.6	47%	0.468	55%	0.553	S	S	.	*	H	α-helix	trans	-69.1	-41.3	176.6	-171.2	-176.2	-56.5	102.4	6.6	112.7	E223 M224 T225 S230 L231	E223-R227 WeakPolarHBondContact O-CB 3.47Å; E223-R227 PolarHBondContact O-N 3.15Å; E223-R227 IonicContact OE2-NH2 2.88Å; M224-R227 PolarHBondContact O-N 3.22Å; T225-R227 VanDerWaalsContact C-N 3.28Å; T225-R227 PolarHBondContact O-N 2.99Å; R227-S230 PolarHBondContact O-OG 3.28Å; R227-L231 HydrophobicContact CG-CD1 4.29Å; R227-L231 WeakPolarHBondContact O-CB 3.08Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 2.89Å
228	E	86	Confident	80.4	Confident	100 Å²	100	111.3 Å²	111.3	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-68.5	-38.9	176.6	-75.5	-173.5	-178.7	0	0	112.4	M224 T225 L231 K232	M224-E228 WeakPolarHBondContact O-CG 3.31Å; M224-E228 PolarHBondContact O-N 3.26Å; T225-E228 PolarHBondContact O-N 3.47Å; E228-L231 PolarHBondContact O-N 2.92Å; E228-K232 WeakPolarHBondContact O-CB 3.48Å; E228-K232 VanDerWaalsContact O-CG 3.29Å; E228-K232 WeakPolarHBondContact O-CG 3.41Å; E228-K232 PolarHBondContact O-N 3.08Å
229	E	83.8	Confident	79.8	Confident	95 Å²	95	110.6 Å²	110.6	44%	0.444	54%	0.535	S	S	.	.	H	α-helix	trans	-64.9	-40.9	174.3	-78.1	-173.2	175.5	0	0	112.3	T225 K232 R233	T225-E229 PolarHBondContact O-N 2.91Å; E229-K232 PolarHBondContact O-N 2.9Å; E229-R233 WeakPolarHBondContact O-CG 3.49Å; E229-R233 PolarHBondContact O-N 2.96Å
230	S	81.6	Confident	78.6	Confident	54 Å²	54	112 Å²	112	38%	0.378	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-41.3	175.9	68.8	0	0	0	0	111.7	K226 R227 K232 R233 I234	K226-S230 PolarHBondContact O-N 3.2Å; K226-S230 VanDerWaalsContact O-N 3.08Å; K226-S230 PolarHBondContact O-OG 3.41Å; R227-S230 PolarHBondContact O-OG 3.28Å; S230-K232 VanDerWaalsContact C-N 3.34Å; S230-K232 PolarHBondContact O-N 3.37Å; S230-R233 PolarHBondContact O-N 3.4Å; S230-I234 WeakPolarHBondContact O-CD1 3.42Å; S230-I234 VanDerWaalsContact O-CG1 3.25Å; S230-I234 WeakPolarHBondContact O-CG1 3.4Å; S230-I234 PolarHBondContact O-N 2.93Å
231	L	80	Confident	77.4	Confident	101 Å²	101	110.1 Å²	110.1	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-37.8	173.1	-73.4	167.8	0	0	0	112.5	R227 E228 K235	R227-L231 HydrophobicContact CG-CD1 4.29Å; R227-L231 WeakPolarHBondContact O-CB 3.08Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 2.89Å; E228-L231 PolarHBondContact O-N 2.92Å; L231-K235 PolarHBondContact O-N 2.83Å
232	K	79.2	Confident	75.8	Confident	126 Å²	126	117.5 Å²	117.5	55%	0.548	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-42.3	173.9	-75.8	172.4	-174.7	171.9	0	111.9	E228 E229 S230 K235 N236	E228-K232 WeakPolarHBondContact O-CB 3.48Å; E228-K232 VanDerWaalsContact O-CG 3.29Å; E228-K232 WeakPolarHBondContact O-CG 3.41Å; E228-K232 PolarHBondContact O-N 3.08Å; E229-K232 PolarHBondContact O-N 2.9Å; S230-K232 VanDerWaalsContact C-N 3.34Å; S230-K232 PolarHBondContact O-N 3.37Å; K232-K235 PolarHBondContact O-N 2.91Å; K232-N236 WeakPolarHBondContact O-CB 3.29Å; K232-N236 PolarHBondContact O-N 3.43Å
233	R	77.6	Confident	74	Confident	180 Å²	180	115.5 Å²	115.5	68%	0.679	55%	0.552	S	S	*	*	H	α-helix	trans	-60.8	-44.1	174.4	-73.8	-177.4	-166.1	-176.5	5.9	111.5	E229 S230 N236 L237	E229-R233 WeakPolarHBondContact O-CG 3.49Å; E229-R233 PolarHBondContact O-N 2.96Å; S230-R233 PolarHBondContact O-N 3.4Å; R233-N236 PolarHBondContact O-N 3.16Å; R233-L237 WeakPolarHBondContact O-CB 3.43Å; R233-L237 PolarHBondContact O-N 2.92Å
234	I	76.8	Confident	72.3	Confident	93 Å²	93	112.8 Å²	112.8	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-43.5	177.2	-64.9	162.7	0	0	0	110.9	S230 L237 Q238	S230-I234 WeakPolarHBondContact O-CD1 3.42Å; S230-I234 VanDerWaalsContact O-CG1 3.25Å; S230-I234 WeakPolarHBondContact O-CG1 3.4Å; S230-I234 PolarHBondContact O-N 2.93Å; I234-L237 PolarHBondContact O-N 3.5Å; I234-Q238 WeakPolarHBondContact O-CG 3.39Å; I234-Q238 PolarHBondContact O-N 3.45Å
235	K	74.4	Confident	70.2	Confident	142 Å²	142	114 Å²	114	62%	0.617	55%	0.553	S	S	*	*	H	α-helix	trans	-64	-40.9	175.3	-87.9	-177	174.4	177.9	0	112.9	L231 K232 Q238 N239	L231-K235 PolarHBondContact O-N 2.83Å; K232-K235 PolarHBondContact O-N 2.91Å; K235-Q238 PolarHBondContact O-N 3.22Å; K235-N239 WeakPolarHBondContact O-CB 3.26Å; K235-N239 PolarHBondContact O-N 3.49Å
236	N	69.7	Low	68.1	Low	100 Å²	100	116.1 Å²	116.1	54%	0.535	57%	0.568	S	S	.	*	H	α-helix	trans	-67.9	-40.8	178.1	-73.7	-1.8	0	0	0	111.4	K232 R233 Q238 N239 E240	K232-N236 WeakPolarHBondContact O-CB 3.29Å; K232-N236 PolarHBondContact O-N 3.43Å; R233-N236 PolarHBondContact O-N 3.16Å; N236-Q238 VanDerWaalsContact C-N 3.32Å; N236-Q238 PolarHBondContact O-N 2.96Å; N236-N239 PolarHBondContact O-N 3.4Å; N236-E240 PolarHBondContact O-N 3.02Å
237	L	66.7	Low	66.1	Low	112 Å²	112	115.9 Å²	115.9	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-61.6	-39.8	172.9	-125.4	77	0	0	0	111.9	R233 I234 N241	R233-L237 WeakPolarHBondContact O-CB 3.43Å; R233-L237 PolarHBondContact O-N 2.92Å; I234-L237 PolarHBondContact O-N 3.5Å; L237-N241 VanDerWaalsContact O-CB 3.26Å; L237-N241 WeakPolarHBondContact O-CB 3.49Å; L237-N241 PolarHBondContact O-N 2.93Å; L237-N241 PolarHBondContact O-ND2 2.97Å; L237-N241 VanDerWaalsContact O-ND2 3.1Å
238	Q	64.2	Low	64.2	Low	118 Å²	118	115.8 Å²	115.8	55%	0.551	60%	0.597	S	S	*	*	H	α-helix	trans	-68.4	-32.4	175.5	-74.6	-178.5	4.4	0	0	112.9	I234 K235 N236 R242	I234-Q238 WeakPolarHBondContact O-CG 3.39Å; I234-Q238 PolarHBondContact O-N 3.45Å; K235-Q238 PolarHBondContact O-N 3.22Å; N236-Q238 VanDerWaalsContact C-N 3.32Å; N236-Q238 PolarHBondContact O-N 2.96Å; Q238-R242 WeakPolarHBondContact O-CG 3.49Å; Q238-R242 PolarHBondContact O-N 3.28Å
239	N	63.7	Low	62.4	Low	102 Å²	102	115.3 Å²	115.3	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-79.3	-39.2	177.1	-79.7	-9.7	0	0	0	112.9	K235 N236 N241 R242 C243	K235-N239 WeakPolarHBondContact O-CB 3.26Å; K235-N239 PolarHBondContact O-N 3.49Å; N236-N239 PolarHBondContact O-N 3.4Å; N239-N241 VanDerWaalsContact C-N 3.35Å; N239-R242 PolarHBondContact O-N 3.48Å; N239-R242 VanDerWaalsContact O-N 3.15Å; N239-C243 PolarHBondContact O-N 3.2Å
240	E	58.5	Low	60.6	Low	133 Å²	133	118 Å²	118	62%	0.621	61%	0.613	S	S	*	*	H	α-helix	trans	-65.7	-39.7	174	-74.4	-160.8	155.9	0	0	111	N236 R242 C243 S244	N236-E240 PolarHBondContact O-N 3.02Å; E240-R242 PolarHBondContact O-N 2.93Å; E240-C243 PolarHBondContact O-N 3.48Å; E240-C243 VanDerWaalsContact O-N 3.16Å; E240-S244 WeakPolarHBondContact O-CB 3.17Å; E240-S244 PolarHBondContact O-N 2.85Å; E240-S244 PolarHBondContact O-OG 3.18Å
241	N	58	Low	59	Low	107 Å²	107	122 Å²	122	57%	0.572	63%	0.63	S	S	*	*	H	α-helix	trans	-67.6	-19.5	173.7	-71.7	-25.2	0	0	0	113.6	L237 N239	L237-N241 VanDerWaalsContact O-CB 3.26Å; L237-N241 WeakPolarHBondContact O-CB 3.49Å; L237-N241 PolarHBondContact O-N 2.93Å; L237-N241 PolarHBondContact O-ND2 2.97Å; L237-N241 VanDerWaalsContact O-ND2 3.1Å; N239-N241 VanDerWaalsContact C-N 3.35Å
242	R	52.3	Low	57.6	Low	213 Å²	213	122.4 Å²	122.4	80%	0.804	63%	0.633	S	S	*	*	H	α-helix	trans	-86.3	-25.1	172	-80.5	-177.5	-177.2	-133.3	2.2	113.4	Q238 N239 E240	Q238-R242 WeakPolarHBondContact O-CG 3.49Å; Q238-R242 PolarHBondContact O-N 3.28Å; N239-R242 PolarHBondContact O-N 3.48Å; N239-R242 VanDerWaalsContact O-N 3.15Å; E240-R242 PolarHBondContact O-N 2.93Å
243	C	50.5	Low	56	Low	116 Å²	116	118.3 Å²	118.3	78%	0.784	62%	0.623	S	S	*	*	H	α-helix	trans	-91.9	-15.1	-179.5	-139.9	0	0	0	0	113.4	N239 E240	N239-C243 PolarHBondContact O-N 3.2Å; E240-C243 PolarHBondContact O-N 3.48Å; E240-C243 VanDerWaalsContact O-N 3.16Å
244	S	50	Low	54.8	Low	88 Å²	88	115.2 Å²	115.2	62%	0.615	62%	0.62	S	S	*	*	S	Bend	trans	-101.3	13.9	-174.3	-44.3	0	0	0	0	114.3	E240 P246	E240-S244 WeakPolarHBondContact O-CB 3.17Å; E240-S244 PolarHBondContact O-N 2.85Å; E240-S244 PolarHBondContact O-OG 3.18Å; S244-P246 WeakPolarHBondContact O-CD 3.35Å
245	Q	41.4	Very low	53.7	Low	147 Å²	147	116.2 Å²	116.2	69%	0.687	63%	0.63	S	S	*	*			trans	-92.4	102.8	175.7	-71.1	-74.6	-13.9	0	0	109.2
246	P	43.5	Very low	52.6	Low	93 Å²	93	116.1 Å²	116.1	60%	0.604	63%	0.631	S	S	*	*			trans	-64.8	143.3	176.3	26	-33.1	0	0	0	111.3	S244 T248	S244-P246 WeakPolarHBondContact O-CD 3.35Å; P246-T248 PolarHBondContact O-N 3.42Å; P246-T248 PolarHBondContact O-OG1 2.94Å
247	A	43.4	Very low	51.8	Low	90 Å²	90	119.1 Å²	119.1	74%	0.744	64%	0.64	S	S	*	*	S	Bend	trans	-63.3	56.3	-170.4	0	0	0	0	0	116.2
248	T	46.4	Very low	51.3	Low	121 Å²	121	117 Å²	117	74%	0.742	65%	0.645	S	S	*	*			trans	-125.9	11.2	-179.6	45.9	0	0	0	0	114.6	P246	P246-T248 PolarHBondContact O-N 3.42Å; P246-T248 PolarHBondContact O-OG1 2.94Å
249	V	48.6	Very low	51	Low	90 Å²	90	121.6 Å²	121.6	55%	0.545	66%	0.657	S	S	.	*			trans	-112.4	22.4	178.7	-163	0	0	0	0	112.3
250	Q	46.9	Very low	51.2	Low	153 Å²	153	124.1 Å²	124.1	72%	0.715	67%	0.666	S	S	*	*	S	Bend	trans	-81.9	-16.2	178.4	-71.5	-166.7	24.4	0	0	114.1
251	D	46.5	Very low	51.8	Low	137 Å²	137	127.4 Å²	127.4	73%	0.733	68%	0.678	S	S	*	*	S	Bend	trans	-99.3	-19.6	-176.9	-67	-26.6	0	0	0	114.7
252	D	50.5	Low	52.9	Low	110 Å²	110	130 Å²	130	59%	0.588	69%	0.685	S	S	*	*	S	Bend	trans	-86.5	-15.3	173.7	-71.5	-26.7	0	0	0	113.4	N254 V255	D252-N254 PolarHBondContact O-N 3.36Å; D252-V255 PolarHBondContact O-N 3.47Å
253	A	47	Very low	54.2	Low	40 Å²	40	123.7 Å²	123.7	33%	0.331	68%	0.678	S	S	.	*	H	α-helix	trans	-62.6	-34.2	174.2	0	0	0	0	0	110.7	V255 H256 F257	A253-V255 PolarHBondContact O-N 3.33Å; A253-H256 PolarHBondContact O-N 3.13Å; A253-F257 VanDerWaalsContact C-CD2 3.46Å; A253-F257 HydrophobicContact CB-CE2 3.9Å; A253-F257 WeakPolarHBondContact O-CD2 3.29Å; A253-F257 WeakPolarHBondContact O-CE2 3.35Å; A253-F257 PolarHBondContact O-N 3.26Å
254	N	51.9	Low	55.9	Low	115 Å²	115	127.5 Å²	127.5	62%	0.615	68%	0.681	S	S	*	*	H	α-helix	trans	-78.9	-11.8	-177.8	-67.6	-30.2	0	0	0	115.3	D252	D252-N254 PolarHBondContact O-N 3.36Å
255	V	53.8	Low	57.5	Low	113 Å²	113	128.9 Å²	128.9	69%	0.685	69%	0.688	S	S	*	*	H	α-helix	trans	-86.7	-23.5	173	-178.8	0	0	0	0	111.6	D252 A253	D252-V255 PolarHBondContact O-N 3.47Å; A253-V255 PolarHBondContact O-N 3.33Å
256	H	51.4	Low	59.4	Low	140 Å²	140	125.6 Å²	125.6	65%	0.648	68%	0.678	S	S	*	*	H	α-helix	trans	-85.2	-19.5	173.5	-70.8	-64.9	0	0	0	114	A253 G258 R259	A253-H256 PolarHBondContact O-N 3.13Å; H256-G258 PolarHBondContact O-N 3.45Å; H256-R259 PolarHBondContact O-N 2.94Å
257	F	52.5	Low	61.4	Low	164 Å²	164	124.6 Å²	124.6	72%	0.719	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-2.1	176.6	-70.4	-60	0	0	0	114.9	A253	A253-F257 VanDerWaalsContact C-CD2 3.46Å; A253-F257 HydrophobicContact CB-CE2 3.9Å; A253-F257 WeakPolarHBondContact O-CD2 3.29Å; A253-F257 WeakPolarHBondContact O-CE2 3.35Å; A253-F257 PolarHBondContact O-N 3.26Å
258	G	56.1	Low	63.1	Low	67 Å²	67	124.9 Å²	124.9	69%	0.691	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-14.1	169.5	0	0	0	0	0	114.9	H256 Q260	H256-G258 PolarHBondContact O-N 3.45Å; G258-Q260 PolarHBondContact O-N 2.84Å
259	R	59.2	Low	64.6	Low	214 Å²	214	124 Å²	124	81%	0.808	66%	0.655	S	S	*	*	S	Bend	trans	-87.9	99	173.1	-74.9	-176.9	-179.2	-111.3	0.9	108.7	H256 F261	H256-R259 PolarHBondContact O-N 2.94Å; R259-F261 PolarHBondContact O-N 3.21Å
260	Q	67.9	Low	66.1	Low	156 Å²	156	123.8 Å²	123.8	73%	0.729	65%	0.654	S	S	*	*			trans	-47.4	114.3	171.2	-65.5	177.4	-11.1	0	0	109.3	G258 K262	G258-Q260 PolarHBondContact O-N 2.84Å; Q260-K262 PolarHBondContact O-N 3.46Å
261	F	70.1	Confident	67.6	Low	201 Å²	201	123.8 Å²	123.8	88%	0.882	65%	0.648	S	S	*	*			trans	-58.9	101	174.2	177.4	-95.4	0	0	0	108.2	R259	R259-F261 PolarHBondContact O-N 3.21Å
262	K	81.3	Confident	69.2	Low	163 Å²	163	122.5 Å²	122.5	71%	0.709	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-100.9	124.5	173.1	-70.2	-176.4	180	-179.1	0	107.3	Q260 K264	Q260-K262 PolarHBondContact O-N 3.46Å; K262-K264 PolarHBondContact O-N 2.8Å
263	A	80.1	Confident	70.6	Confident	80 Å²	80	123.4 Å²	123.4	66%	0.661	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-55	141.1	170.7	0	0	0	0	0	109.4
264	K	84.7	Confident	72.4	Confident	195 Å²	195	124.8 Å²	124.8	85%	0.848	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56.8	135.4	170	-66.5	-178.3	-180	179.3	0	107.8	K262 V266	K262-K264 PolarHBondContact O-N 2.8Å; K264-V266 PolarHBondContact O-N 3.44Å
265	P	85.2	Confident	74	Confident	117 Å²	117	127.1 Å²	127.1	76%	0.76	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-56.9	143.9	178.2	25.4	-33.7	0	0	0	109.5
266	V	81.5	Confident	75.5	Confident	78 Å²	78	128.9 Å²	128.9	47%	0.473	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-55.1	126.3	178.6	-179.2	0	0	0	0	108.7	K264 V270 Y271	K264-V266 PolarHBondContact O-N 3.44Å; V266-V270 HydrophobicContact CG1-CB 3.6Å; V266-V270 HydrophobicContact CG1-CG1 3.77Å; V266-V270 HydrophobicContact CG1-CG2 3.67Å; V266-Y271 HydrophobicContact CB-CE2 4.38Å; V266-Y271 HydrophobicContact CG1-CE2 4.45Å
267	P	85.1	Confident	77.2	Confident	72 Å²	72	128.6 Å²	128.6	47%	0.468	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-52.9	144	179.6	-29.6	36.4	0	0	0	112.9	H269 V270	P267-H269 WeakPolarHBondContact CB-CE1 2.98Å; P267-H269 WeakPolarHBondContact CB-ND1 3.21Å; P267-H269 PolarHBondContact O-N 3.44Å; P267-H269 VanDerWaalsContact O-N 3.14Å; P267-V270 HydrophobicContact CB-CG2 4.45Å; P267-V270 WeakPolarHBondContact O-CB 3.29Å; P267-V270 WeakPolarHBondContact O-CG2 3.34Å; P267-V270 PolarHBondContact O-N 2.88Å; P267-V270 VanDerWaalsContact O-N 3.09Å
268	S	78.9	Confident	78.9	Confident	97 Å²	97	125.3 Å²	125.3	68%	0.678	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-57.5	-32.6	-174.1	56.5	0	0	0	0	114	V270 Y271	S268-V270 PolarHBondContact O-N 3.25Å; S268-Y271 PolarHBondContact O-N 2.85Å; S268-Y271 VanDerWaalsContact O-N 3.12Å
269	H	78.4	Confident	80.5	Confident	101 Å²	101	125.8 Å²	125.8	47%	0.468	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-64.5	-22	-179.3	68.5	-96.2	0	0	0	113.7	P267 Y271 L272	P267-H269 WeakPolarHBondContact CB-CE1 2.98Å; P267-H269 WeakPolarHBondContact CB-ND1 3.21Å; P267-H269 PolarHBondContact O-N 3.44Å; P267-H269 VanDerWaalsContact O-N 3.14Å; H269-Y271 PolarHBondContact O-N 2.89Å; H269-L272 PolarHBondContact O-N 3.23Å; H269-L272 VanDerWaalsContact O-N 3.14Å
270	V	79.8	Confident	82	Confident	86 Å²	86	121.5 Å²	121.5	52%	0.521	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-67.3	-25.5	176.8	-178.1	0	0	0	0	111.2	V266 P267 S268 L272	V266-V270 HydrophobicContact CG1-CB 3.6Å; V266-V270 HydrophobicContact CG1-CG1 3.77Å; V266-V270 HydrophobicContact CG1-CG2 3.67Å; P267-V270 HydrophobicContact CB-CG2 4.45Å; P267-V270 WeakPolarHBondContact O-CB 3.29Å; P267-V270 WeakPolarHBondContact O-CG2 3.34Å; P267-V270 PolarHBondContact O-N 2.88Å; P267-V270 VanDerWaalsContact O-N 3.09Å; S268-V270 PolarHBondContact O-N 3.25Å; V270-L272 VanDerWaalsContact C-N 3.34Å
271	Y	78.3	Confident	83.1	Confident	154 Å²	154	118.7 Å²	118.7	60%	0.604	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-85.1	-4.9	176	-55.1	-71.3	0	0	0	113.3	V266 S268 H269	V266-Y271 HydrophobicContact CB-CE2 4.38Å; V266-Y271 HydrophobicContact CG1-CE2 4.45Å; S268-Y271 PolarHBondContact O-N 2.85Å; S268-Y271 VanDerWaalsContact O-N 3.12Å; H269-Y271 PolarHBondContact O-N 2.89Å
272	L	79.8	Confident	84.2	Confident	109 Å²	109	112.5 Å²	112.5	57%	0.571	58%	0.583	S	S	*	*	S	Bend	trans	-92.3	131.7	179.4	-61.2	177.5	0	0	0	110.5	H269 V270 L274	H269-L272 PolarHBondContact O-N 3.23Å; H269-L272 VanDerWaalsContact O-N 3.14Å; V270-L272 VanDerWaalsContact C-N 3.34Å; L272-L274 HydrophobicContact CB-CD2 4.43Å; L272-L274 PolarHBondContact O-N 2.9Å
273	P	79.6	Confident	84.7	Confident	129 Å²	129	107.2 Å²	107.2	84%	0.838	57%	0.57	S	S	*	*			trans	-67.2	100.2	172.2	-20.9	33.4	0	0	0	111.9
274	L	84.7	Confident	85.4	Confident	69 Å²	69	108.6 Å²	108.6	36%	0.361	57%	0.566	S	S	.	*			trans	-88.8	8.1	-177	-62.6	177	0	0	0	114.7	L272 E276 K277 L278	L272-L274 HydrophobicContact CB-CD2 4.43Å; L272-L274 PolarHBondContact O-N 2.9Å; L274-E276 PolarHBondContact O-N 2.89Å; L274-K277 HydrophobicContact CD2-CD 4.36Å; L274-K277 PolarHBondContact O-N 3.27Å; L274-L278 HydrophobicContact CB-CD1 4.14Å; L274-L278 HydrophobicContact CB-CG 4.35Å; L274-L278 WeakPolarHBondContact O-CB 3.07Å; L274-L278 WeakPolarHBondContact O-CG 2.85Å; L274-L278 PolarHBondContact O-N 2.93Å
275	Y	85.6	Confident	85.8	Confident	164 Å²	164	104.8 Å²	104.8	64%	0.643	55%	0.546	S	S	*	.	H	α-helix	trans	-57.3	-45.4	-169.9	178	-102.1	0	0	0	113.3	L278 M279	Y275-L278 PolarHBondContact O-N 3.48Å; Y275-M279 HydrophobicContact CD1-CG 4.32Å; Y275-M279 HydrophobicContact CD2-CG 4.31Å; Y275-M279 HydrophobicContact CE1-CG 3.88Å; Y275-M279 HydrophobicContact CE2-CG 3.87Å; Y275-M279 HydrophobicContact CE2-SD 4.16Å; Y275-M279 WeakPolarHBondContact O-CB 3.46Å; Y275-M279 VanDerWaalsContact O-CG 3.31Å; Y275-M279 WeakPolarHBondContact O-CG 3.4Å; Y275-M279 PolarHBondContact O-N 3.28Å
276	E	85	Confident	86.2	Confident	151 Å²	151	106 Å²	106	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-47.1	-179.6	-67.5	178	172.7	0	0	111.5	L274 L278 M279 E280	L274-E276 PolarHBondContact O-N 2.89Å; E276-L278 PolarHBondContact O-N 3.1Å; E276-M279 WeakPolarHBondContact O-CB 3.41Å; E276-M279 PolarHBondContact O-N 2.89Å; E276-M279 VanDerWaalsContact O-N 3.12Å; E276-E280 WeakPolarHBondContact O-CG 3.31Å; E276-E280 PolarHBondContact O-N 3.37Å
277	K	86.8	Confident	86.8	Confident	134 Å²	134	108 Å²	108	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-60.5	-45.8	176.4	-64.9	-174.4	176.6	-174.1	0	112.1	L274 M279 E280 D281	L274-K277 HydrophobicContact CD2-CD 4.36Å; L274-K277 PolarHBondContact O-N 3.27Å; K277-M279 PolarHBondContact O-N 2.78Å; K277-E280 PolarHBondContact O-N 2.81Å; K277-D281 WeakPolarHBondContact O-CB 3.46Å; K277-D281 VanDerWaalsContact O-CG 3.23Å; K277-D281 PolarHBondContact O-N 3.4Å
278	L	89.4	Confident	87.3	Confident	95 Å²	95	107.5 Å²	107.5	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-61.3	-33.8	176.5	-75.6	167.3	0	0	0	112.5	L274 Y275 E276 N282	L274-L278 HydrophobicContact CB-CD1 4.14Å; L274-L278 HydrophobicContact CB-CG 4.35Å; L274-L278 WeakPolarHBondContact O-CB 3.07Å; L274-L278 WeakPolarHBondContact O-CG 2.85Å; L274-L278 PolarHBondContact O-N 2.93Å; Y275-L278 PolarHBondContact O-N 3.48Å; E276-L278 PolarHBondContact O-N 3.1Å; L278-N282 VanDerWaalsContact O-CB 3.26Å; L278-N282 WeakPolarHBondContact O-CB 3.45Å; L278-N282 VanDerWaalsContact O-CG 3.32Å; L278-N282 PolarHBondContact O-N 3.47Å; L278-N282 VanDerWaalsContact O-N 3.1Å; L278-N282 PolarHBondContact O-ND2 2.88Å
279	M	88.6	Confident	88	Confident	77 Å²	77	105.3 Å²	105.3	38%	0.379	52%	0.524	S	S	.	.	H	α-helix	trans	-73.1	-41.2	176.9	-76.7	-57.5	-50.6	0	0	111.9	Y275 E276 K277 N282 A283	Y275-M279 HydrophobicContact CD1-CG 4.32Å; Y275-M279 HydrophobicContact CD2-CG 4.31Å; Y275-M279 HydrophobicContact CE1-CG 3.88Å; Y275-M279 HydrophobicContact CE2-CG 3.87Å; Y275-M279 HydrophobicContact CE2-SD 4.16Å; Y275-M279 WeakPolarHBondContact O-CB 3.46Å; Y275-M279 VanDerWaalsContact O-CG 3.31Å; Y275-M279 WeakPolarHBondContact O-CG 3.4Å; Y275-M279 PolarHBondContact O-N 3.28Å; E276-M279 WeakPolarHBondContact O-CB 3.41Å; E276-M279 PolarHBondContact O-N 2.89Å; E276-M279 VanDerWaalsContact O-N 3.12Å; K277-M279 PolarHBondContact O-N 2.78Å; M279-N282 PolarHBondContact O-N 3.49Å; M279-A283 WeakPolarHBondContact O-CB 3.44Å; M279-A283 PolarHBondContact O-N 3.26Å
280	E	90.5	Very high	88.8	Confident	123 Å²	123	108 Å²	108	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-62.5	-49.6	174	-72.4	173.8	-179.4	0	0	111.4	E276 K277 N282 A283 L284	E276-E280 WeakPolarHBondContact O-CG 3.31Å; E276-E280 PolarHBondContact O-N 3.37Å; K277-E280 PolarHBondContact O-N 2.81Å; E280-N282 VanDerWaalsContact C-N 3.31Å; E280-N282 PolarHBondContact O-N 2.97Å; E280-A283 WeakPolarHBondContact O-CA 3.33Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 2.76Å; E280-L284 WeakPolarHBondContact O-CG 3.25Å; E280-L284 PolarHBondContact O-N 2.78Å
281	D	92.8	Very high	89.5	Confident	97 Å²	97	106.7 Å²	106.7	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-59.5	-42.7	177.6	-67.8	-20.6	0	0	0	111.4	K277 A283 L284 R285	K277-D281 WeakPolarHBondContact O-CB 3.46Å; K277-D281 VanDerWaalsContact O-CG 3.23Å; K277-D281 PolarHBondContact O-N 3.4Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 3.14Å; D281-L284 PolarHBondContact O-N 3.35Å; D281-R285 VanDerWaalsContact O-CB 3.29Å; D281-R285 WeakPolarHBondContact O-CB 3.48Å; D281-R285 PolarHBondContact O-N 3.29Å
282	N	92.1	Very high	90.3	Very high	71 Å²	71	106.6 Å²	106.6	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-33.5	174.5	-86.3	-50.1	0	0	0	112.8	L278 M279 E280 R286	L278-N282 VanDerWaalsContact O-CB 3.26Å; L278-N282 WeakPolarHBondContact O-CB 3.45Å; L278-N282 VanDerWaalsContact O-CG 3.32Å; L278-N282 PolarHBondContact O-N 3.47Å; L278-N282 VanDerWaalsContact O-N 3.1Å; L278-N282 PolarHBondContact O-ND2 2.88Å; M279-N282 PolarHBondContact O-N 3.49Å; E280-N282 VanDerWaalsContact C-N 3.31Å; E280-N282 PolarHBondContact O-N 2.97Å; N282-R286 WeakPolarHBondContact O-CB 3.25Å; N282-R286 WeakPolarHBondContact O-CG 3.41Å; N282-R286 PolarHBondContact O-N 3.33Å
283	A	91.8	Very high	91	Very high	53 Å²	53	109.1 Å²	109.1	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-69.3	-46.3	176.8	0	0	0	0	0	110.9	M279 E280 D281 R286 E287	M279-A283 WeakPolarHBondContact O-CB 3.44Å; M279-A283 PolarHBondContact O-N 3.26Å; E280-A283 WeakPolarHBondContact O-CA 3.33Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 2.76Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 3.14Å; A283-R286 PolarHBondContact O-N 2.92Å; A283-E287 PolarHBondContact O-N 3.38Å
284	L	94.6	Very high	91.7	Very high	109 Å²	109	109.3 Å²	109.3	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-59.3	-46.5	174.4	-69.8	172.9	0	0	0	111.3	E280 D281 R286 E287 A288	E280-L284 WeakPolarHBondContact O-CG 3.25Å; E280-L284 PolarHBondContact O-N 2.78Å; D281-L284 PolarHBondContact O-N 3.35Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.43Å; L284-E287 PolarHBondContact O-N 2.86Å; L284-E287 VanDerWaalsContact O-N 3.15Å; L284-A288 PolarHBondContact O-N 2.91Å
285	R	94.1	Very high	92.1	Very high	114 Å²	114	112.4 Å²	112.4	43%	0.43	53%	0.53	S	S	.	.	H	α-helix	trans	-59.3	-43.4	175.4	-171.3	-174.4	176	90.4	18	112	E185 D281 E287 A288 V289	E185-R285 IonicContact OE1-CZ 2.79Å; E185-R285 IonicContact OE1-NH1 3.64Å; E185-R285 PolarHBondContact OE1-NH1 3.41Å; E185-R285 IonicContact OE1-NH2 3.4Å; E185-R285 IonicContact OE2-NH1 3.53Å; E185-R285 PolarHBondContact OE2-NH1 2.84Å; D281-R285 VanDerWaalsContact O-CB 3.29Å; D281-R285 WeakPolarHBondContact O-CB 3.48Å; D281-R285 PolarHBondContact O-N 3.29Å; R285-E287 VanDerWaalsContact C-N 3.33Å; R285-E287 PolarHBondContact O-N 2.84Å; R285-A288 PolarHBondContact O-N 2.74Å; R285-V289 VanDerWaalsContact O-CG2 3.31Å; R285-V289 WeakPolarHBondContact O-CG2 3.42Å; R285-V289 PolarHBondContact O-N 3.31Å
286	R	92.7	Very high	92.4	Very high	142 Å²	142	107.5 Å²	107.5	54%	0.536	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-38.8	176.4	-76	177.1	-141.9	-160.9	6.3	111.7	N282 A283 L284 R290	N282-R286 WeakPolarHBondContact O-CB 3.25Å; N282-R286 WeakPolarHBondContact O-CG 3.41Å; N282-R286 PolarHBondContact O-N 3.33Å; A283-R286 PolarHBondContact O-N 2.92Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.43Å; R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-N 3.28Å; R286-R290 VanDerWaalsContact O-N 3.1Å
287	E	93.9	Very high	92.6	Very high	120 Å²	120	106 Å²	106	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-65.4	-48.5	177.1	-173.5	169.7	-163.6	0	0	111.8	A283 L284 R285 V289 R290 A291	A283-E287 PolarHBondContact O-N 3.38Å; L284-E287 PolarHBondContact O-N 2.86Å; L284-E287 VanDerWaalsContact O-N 3.15Å; R285-E287 VanDerWaalsContact C-N 3.33Å; R285-E287 PolarHBondContact O-N 2.84Å; E287-V289 PolarHBondContact O-N 3.1Å; E287-R290 PolarHBondContact O-N 2.9Å; E287-R290 VanDerWaalsContact O-N 3.12Å; E287-A291 PolarHBondContact O-N 2.8Å
288	A	95.4	Very high	92.7	Very high	62 Å²	62	106.1 Å²	106.1	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-57.5	-45.3	176.3	0	0	0	0	0	112.2	L284 R285 R290 A291 Y292	L284-A288 PolarHBondContact O-N 2.91Å; R285-A288 PolarHBondContact O-N 2.74Å; A288-R290 VanDerWaalsContact C-N 3.34Å; A288-R290 PolarHBondContact O-N 2.96Å; A288-A291 PolarHBondContact O-N 3.17Å; A288-Y292 WeakPolarHBondContact O-CB 3.17Å; A288-Y292 PolarHBondContact O-N 3.42Å
289	V	94.1	Very high	92.5	Very high	52 Å²	52	106.2 Å²	106.2	32%	0.315	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.9	171.3	0	0	0	0	112	R285 E287 R293	R285-V289 VanDerWaalsContact O-CG2 3.31Å; R285-V289 WeakPolarHBondContact O-CG2 3.42Å; R285-V289 PolarHBondContact O-N 3.31Å; E287-V289 PolarHBondContact O-N 3.1Å; V289-R293 HydrophobicContact CG1-CG 4.48Å; V289-R293 WeakPolarHBondContact O-CB 3.37Å; V289-R293 VanDerWaalsContact O-CG 3.31Å; V289-R293 WeakPolarHBondContact O-CG 3.49Å; V289-R293 PolarHBondContact O-N 3.33Å
290	R	94.9	Very high	92.5	Very high	157 Å²	157	108.2 Å²	108.2	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-66.8	-42.4	175.5	-75.2	-174	-136	108.5	-3.5	111.5	R286 E287 A288 K294	R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-N 3.28Å; R286-R290 VanDerWaalsContact O-N 3.1Å; E287-R290 PolarHBondContact O-N 2.9Å; E287-R290 VanDerWaalsContact O-N 3.12Å; A288-R290 VanDerWaalsContact C-N 3.34Å; A288-R290 PolarHBondContact O-N 2.96Å; R290-K294 WeakPolarHBondContact O-CB 3.4Å; R290-K294 PolarHBondContact O-N 3.17Å
291	A	95	Very high	92.2	Very high	59 Å²	59	108.6 Å²	108.6	49%	0.488	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-50.1	176.9	0	0	0	0	0	111.1	E287 A288 R293 K294 E295	E287-A291 PolarHBondContact O-N 2.8Å; A288-A291 PolarHBondContact O-N 3.17Å; A291-R293 PolarHBondContact O-N 3.21Å; A291-K294 WeakPolarHBondContact O-CB 3.44Å; A291-K294 PolarHBondContact O-N 3.08Å; A291-K294 VanDerWaalsContact O-N 3.14Å; A291-E295 PolarHBondContact O-N 3.07Å
292	Y	95.6	Very high	91.7	Very high	151 Å²	151	112.8 Å²	112.8	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-59	-46.1	177.6	-178.9	-111.1	0	0	0	112.7	A288 K294 E295 I296	A288-Y292 WeakPolarHBondContact O-CB 3.17Å; A288-Y292 PolarHBondContact O-N 3.42Å; Y292-K294 VanDerWaalsContact C-N 3.32Å; Y292-K294 PolarHBondContact O-N 3.16Å; Y292-E295 PolarHBondContact O-N 3.14Å; Y292-I296 HydrophobicContact CD1-CD1 3.72Å; Y292-I296 HydrophobicContact CE1-CD1 3.23Å; Y292-I296 HydrophobicContact CE1-CG1 4.36Å; Y292-I296 HydrophobicContact CE2-CD1 4.11Å; Y292-I296 HydrophobicContact CE2-CG1 4.48Å; Y292-I296 HydrophobicContact CG-CD1 4.34Å; Y292-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y292-I296 WeakPolarHBondContact O-CG1 3.34Å; Y292-I296 PolarHBondContact O-N 3.22Å
293	R	94	Very high	91.3	Very high	163 Å²	163	112.5 Å²	112.5	62%	0.615	55%	0.548	S	S	*	.	H	α-helix	trans	-62.7	-37.6	175.9	-76.9	177	177	161.4	0	112.6	V289 A291 E295 L297	V289-R293 HydrophobicContact CG1-CG 4.48Å; V289-R293 WeakPolarHBondContact O-CB 3.37Å; V289-R293 VanDerWaalsContact O-CG 3.31Å; V289-R293 WeakPolarHBondContact O-CG 3.49Å; V289-R293 PolarHBondContact O-N 3.33Å; A291-R293 PolarHBondContact O-N 3.21Å; R293-E295 VanDerWaalsContact C-N 3.33Å; R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.49Å
294	K	94.1	Very high	90.8	Very high	132 Å²	132	117.5 Å²	117.5	57%	0.574	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-37.4	177.3	-171.2	178.4	-176.9	180	0	111.3	R290 A291 Y292 K298	R290-K294 WeakPolarHBondContact O-CB 3.4Å; R290-K294 PolarHBondContact O-N 3.17Å; A291-K294 WeakPolarHBondContact O-CB 3.44Å; A291-K294 PolarHBondContact O-N 3.08Å; A291-K294 VanDerWaalsContact O-N 3.14Å; Y292-K294 VanDerWaalsContact C-N 3.32Å; Y292-K294 PolarHBondContact O-N 3.16Å; K294-K298 VanDerWaalsContact O-CG 3.3Å; K294-K298 WeakPolarHBondContact O-CG 3.34Å; K294-K298 PolarHBondContact O-N 2.98Å; K294-K298 VanDerWaalsContact O-N 3.11Å
295	E	92.9	Very high	90.2	Very high	135 Å²	135	118.6 Å²	118.6	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-66.8	-46	175.3	-173.4	174.1	-173.4	0	0	112	A291 Y292 R293 L297 K298 S299	A291-E295 PolarHBondContact O-N 3.07Å; Y292-E295 PolarHBondContact O-N 3.14Å; R293-E295 VanDerWaalsContact C-N 3.33Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.21Å; E295-K298 PolarHBondContact O-N 2.97Å; E295-S299 PolarHBondContact O-N 3.28Å
296	I	92.7	Very high	89.6	Confident	61 Å²	61	119.3 Å²	119.3	31%	0.313	57%	0.573	S	S	.	*	H	α-helix	trans	-58.1	-46.1	174.3	-70.2	169.5	0	0	0	111.5	Y292 K298 S299 I300	Y292-I296 HydrophobicContact CD1-CD1 3.72Å; Y292-I296 HydrophobicContact CE1-CD1 3.23Å; Y292-I296 HydrophobicContact CE1-CG1 4.36Å; Y292-I296 HydrophobicContact CE2-CD1 4.11Å; Y292-I296 HydrophobicContact CE2-CG1 4.48Å; Y292-I296 HydrophobicContact CG-CD1 4.34Å; Y292-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y292-I296 WeakPolarHBondContact O-CG1 3.34Å; Y292-I296 PolarHBondContact O-N 3.22Å; I296-K298 VanDerWaalsContact C-N 3.3Å; I296-K298 PolarHBondContact O-N 2.81Å; I296-S299 PolarHBondContact O-N 3.09Å; I296-S299 PolarHBondContact O-OG 2.94Å; I296-I300 HydrophobicContact CG2-CD1 3.58Å; I296-I300 HydrophobicContact CG2-CG1 4.37Å; I296-I300 VanDerWaalsContact O-CG1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.47Å; I296-I300 PolarHBondContact O-N 2.87Å
297	L	89.8	Confident	89.1	Confident	120 Å²	120	114.6 Å²	114.6	63%	0.628	56%	0.56	S	S	*	*	H	α-helix	trans	-62	-40.6	179.3	-73.8	171.5	0	0	0	111.6	R293 E295 I300 E301	R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.49Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.21Å; L297-I300 PolarHBondContact O-N 3.29Å; L297-E301 WeakPolarHBondContact O-CB 3.27Å; L297-E301 PolarHBondContact O-N 3.38Å
298	K	87.4	Confident	88.5	Confident	136 Å²	136	112.3 Å²	112.3	59%	0.591	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-33.4	175.6	-75.5	177.2	173.7	-168.3	0	113.2	K294 E295 I296	K294-K298 VanDerWaalsContact O-CG 3.3Å; K294-K298 WeakPolarHBondContact O-CG 3.34Å; K294-K298 PolarHBondContact O-N 2.98Å; K294-K298 VanDerWaalsContact O-N 3.11Å; E295-K298 PolarHBondContact O-N 2.97Å; I296-K298 VanDerWaalsContact C-N 3.3Å; I296-K298 PolarHBondContact O-N 2.81Å
299	S	85.5	Confident	88.1	Confident	96 Å²	96	116.3 Å²	116.3	67%	0.671	55%	0.553	S	S	*	*	H	α-helix	trans	-76.2	-28	178.2	69.2	0	0	0	0	112.8	E295 I296	E295-S299 PolarHBondContact O-N 3.28Å; I296-S299 PolarHBondContact O-N 3.09Å; I296-S299 PolarHBondContact O-OG 2.94Å
300	I	88.3	Confident	87.6	Confident	120 Å²	120	117.2 Å²	117.2	62%	0.615	55%	0.554	S	S	*	*	H	α-helix	trans	-79.9	-28.7	175.3	-63.8	168.5	0	0	0	111.6	I296 L297 K302	I296-I300 HydrophobicContact CG2-CD1 3.58Å; I296-I300 HydrophobicContact CG2-CG1 4.37Å; I296-I300 VanDerWaalsContact O-CG1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.47Å; I296-I300 PolarHBondContact O-N 2.87Å; L297-I300 PolarHBondContact O-N 3.29Å; I300-K302 PolarHBondContact O-N 2.81Å
301	E	84.5	Confident	87.2	Confident	130 Å²	130	113.4 Å²	113.4	61%	0.607	55%	0.545	S	S	*	.			trans	-67.8	101.7	-179.3	-172.2	178	-177.8	0	0	111.8	L297 P303	L297-E301 WeakPolarHBondContact O-CB 3.27Å; L297-E301 PolarHBondContact O-N 3.38Å; E301-P303 WeakPolarHBondContact O-CD 3.42Å
302	K	83.4	Confident	86.7	Confident	185 Å²	185	115.4 Å²	115.4	80%	0.804	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-75.3	116.3	163.6	-69.6	-178.2	-179.4	178.9	0	108.4	I300 F304	I300-K302 PolarHBondContact O-N 2.81Å; K302-F304 PolarHBondContact O-N 3.26Å
303	P	82.6	Confident	86.2	Confident	65 Å²	65	112.3 Å²	112.3	42%	0.422	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-62.3	137.4	177.3	25.5	-32.7	0	0	0	109.6	E301 T307 I308	E301-P303 WeakPolarHBondContact O-CD 3.42Å; P303-T307 HydrophobicContact CB-CG2 4.12Å; P303-I308 HydrophobicContact CB-CG1 4.02Å; P303-I308 HydrophobicContact CG-CD1 4.13Å; P303-I308 HydrophobicContact CG-CG1 3.82Å
304	F	81.5	Confident	85.8	Confident	159 Å²	159	109.2 Å²	109.2	70%	0.697	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-60.6	153.6	173.6	-60.8	-86	0	0	0	109.6	K302 F306 T307 I308	K302-F304 PolarHBondContact O-N 3.26Å; F304-F306 PolarHBondContact O-N 2.94Å; F304-T307 WeakPolarHBondContact O-CA 3.3Å; F304-T307 WeakPolarHBondContact O-CB 3.36Å; F304-T307 PolarHBondContact O-N 2.83Å; F304-I308 PolarHBondContact O-N 3.42Å
305	N	82.8	Confident	85.3	Confident	132 Å²	132	108.8 Å²	108.8	71%	0.706	53%	0.532	S	S	*	.	H	α-helix	trans	-55.5	-24	174.6	-71.6	-23.6	0	0	0	112.7	R309	N305-R309 WeakPolarHBondContact O-CB 3.37Å; N305-R309 PolarHBondContact O-N 3.14Å
306	F	80.8	Confident	84.9	Confident	128 Å²	128	111.4 Å²	111.4	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-70.9	-45.3	171.5	-177	-98.7	0	0	0	112.1	F304 I308 R309 E310	F304-F306 PolarHBondContact O-N 2.94Å; F306-I308 PolarHBondContact O-N 3.48Å; F306-R309 PolarHBondContact O-N 3.26Å; F306-E310 WeakPolarHBondContact CE1-OE2 3.39Å; F306-E310 WeakPolarHBondContact O-CB 3.42Å; F306-E310 PolarHBondContact O-N 2.83Å
307	T	82.5	Confident	84.3	Confident	43 Å²	43	112.3 Å²	112.3	26%	0.264	54%	0.541	S	S	.	.	H	α-helix	trans	-61.8	-42	177.2	-42.6	0	0	0	0	111.7	P303 F304 E310 N311	P303-T307 HydrophobicContact CB-CG2 4.12Å; F304-T307 WeakPolarHBondContact O-CA 3.3Å; F304-T307 WeakPolarHBondContact O-CB 3.36Å; F304-T307 PolarHBondContact O-N 2.83Å; T307-E310 PolarHBondContact O-N 2.88Å; T307-N311 WeakPolarHBondContact O-CB 3.28Å; T307-N311 PolarHBondContact O-N 2.81Å
308	I	81.4	Confident	83.8	Confident	73 Å²	73	110.8 Å²	110.8	37%	0.374	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-47.5	175.4	-62	170.6	0	0	0	110.4	P303 F304 F306 E310 N311 L312	P303-I308 HydrophobicContact CB-CG1 4.02Å; P303-I308 HydrophobicContact CG-CD1 4.13Å; P303-I308 HydrophobicContact CG-CG1 3.82Å; F304-I308 PolarHBondContact O-N 3.42Å; F306-I308 PolarHBondContact O-N 3.48Å; I308-E310 PolarHBondContact O-N 3.46Å; I308-N311 PolarHBondContact O-N 3.4Å; I308-L312 HydrophobicContact CG2-CD1 4.09Å; I308-L312 WeakPolarHBondContact O-CG 3.31Å; I308-L312 PolarHBondContact O-N 3.34Å
309	R	85.5	Confident	83.3	Confident	145 Å²	145	112.2 Å²	112.2	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-62.9	-41.2	178.6	-170.7	-167.7	-37.7	-176	6.5	112.3	N305 F306 L312 N313	N305-R309 WeakPolarHBondContact O-CB 3.37Å; N305-R309 PolarHBondContact O-N 3.14Å; F306-R309 PolarHBondContact O-N 3.26Å; R309-L312 PolarHBondContact O-N 2.92Å; R309-N313 WeakPolarHBondContact O-CB 3.09Å; R309-N313 VanDerWaalsContact O-CG 3.28Å; R309-N313 PolarHBondContact O-N 2.89Å
310	E	84.6	Confident	82.9	Confident	71 Å²	71	110.3 Å²	110.3	33%	0.332	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-39.9	177.8	-162.5	-171.2	156.2	0	0	111.1	F306 T307 I308 N313 K314	F306-E310 WeakPolarHBondContact CE1-OE2 3.39Å; F306-E310 WeakPolarHBondContact O-CB 3.42Å; F306-E310 PolarHBondContact O-N 2.83Å; T307-E310 PolarHBondContact O-N 2.88Å; I308-E310 PolarHBondContact O-N 3.46Å; E310-N313 PolarHBondContact O-N 3.5Å; E310-K314 WeakPolarHBondContact O-CB 3.21Å; E310-K314 WeakPolarHBondContact O-CG 3.26Å; E310-K314 PolarHBondContact O-N 2.89Å; E310-K314 VanDerWaalsContact OE1-CE 3.23Å; E310-K314 WeakPolarHBondContact OE1-CE 3.4Å; E310-K314 IonicContact OE1-NZ 2.94Å; E310-K314 PolarHBondContact OE1-NZ 3.01Å
311	N	85.7	Confident	82.3	Confident	77 Å²	77	111.4 Å²	111.4	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-45.2	174	-73.2	-8.6	0	0	0	111.6	T307 I308 N313 K314 E315	T307-N311 WeakPolarHBondContact O-CB 3.28Å; T307-N311 PolarHBondContact O-N 2.81Å; I308-N311 PolarHBondContact O-N 3.4Å; N311-N313 VanDerWaalsContact C-N 3.31Å; N311-N313 PolarHBondContact O-N 3.33Å; N311-K314 PolarHBondContact O-N 3.48Å; N311-K314 VanDerWaalsContact O-N 3.17Å; N311-E315 WeakPolarHBondContact O-CG 3.36Å; N311-E315 PolarHBondContact O-N 2.76Å
312	L	85.7	Confident	81.8	Confident	101 Å²	101	110 Å²	110	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-39	174.5	-72.9	172.6	0	0	0	112.2	I308 R309 R316	I308-L312 HydrophobicContact CG2-CD1 4.09Å; I308-L312 WeakPolarHBondContact O-CG 3.31Å; I308-L312 PolarHBondContact O-N 3.34Å; R309-L312 PolarHBondContact O-N 2.92Å; L312-R316 VanDerWaalsContact O-CB 3.3Å; L312-R316 WeakPolarHBondContact O-CB 3.34Å; L312-R316 PolarHBondContact O-N 2.81Å
313	N	83.9	Confident	81.4	Confident	87 Å²	87	107.5 Å²	107.5	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-38.8	174.5	-77.6	-11.4	0	0	0	111.9	R309 E310 N311 N317	R309-N313 WeakPolarHBondContact O-CB 3.09Å; R309-N313 VanDerWaalsContact O-CG 3.28Å; R309-N313 PolarHBondContact O-N 2.89Å; E310-N313 PolarHBondContact O-N 3.5Å; N311-N313 VanDerWaalsContact C-N 3.31Å; N311-N313 PolarHBondContact O-N 3.33Å; N313-N317 VanDerWaalsContact O-CB 3.28Å; N313-N317 WeakPolarHBondContact O-CB 3.3Å; N313-N317 PolarHBondContact O-N 3.42Å; N313-N317 PolarHBondContact O-ND2 3.46Å; N313-N317 VanDerWaalsContact O-ND2 3.14Å
314	K	85.5	Confident	80.8	Confident	98 Å²	98	109.1 Å²	109.1	43%	0.426	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-50.2	173.7	-80.1	174.3	-175.5	161.3	0	110.8	E310 N311 R316 N317 D318	E310-K314 WeakPolarHBondContact O-CB 3.21Å; E310-K314 WeakPolarHBondContact O-CG 3.26Å; E310-K314 PolarHBondContact O-N 2.89Å; E310-K314 VanDerWaalsContact OE1-CE 3.23Å; E310-K314 WeakPolarHBondContact OE1-CE 3.4Å; E310-K314 IonicContact OE1-NZ 2.94Å; E310-K314 PolarHBondContact OE1-NZ 3.01Å; N311-K314 PolarHBondContact O-N 3.48Å; N311-K314 VanDerWaalsContact O-N 3.17Å; K314-R316 VanDerWaalsContact C-N 3.3Å; K314-R316 PolarHBondContact O-N 2.8Å; K314-N317 CarbonylContact O-C 3.56Å; K314-N317 PolarHBondContact O-N 3.26Å; K314-N317 VanDerWaalsContact O-N 3.1Å; K314-D318 WeakPolarHBondContact O-CB 3.39Å; K314-D318 PolarHBondContact O-N 3.24Å
315	E	85.4	Confident	80.2	Confident	122 Å²	122	107.4 Å²	107.4	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-57.6	-42.3	176.3	-73.9	-179	176.7	0	0	112	N311 D318 F319	N311-E315 WeakPolarHBondContact O-CG 3.36Å; N311-E315 PolarHBondContact O-N 2.76Å; E315-D318 PolarHBondContact O-N 3.23Å; E315-F319 WeakPolarHBondContact O-CB 3.43Å; E315-F319 PolarHBondContact O-N 2.84Å
316	R	82.7	Confident	79.3	Confident	190 Å²	190	106.4 Å²	106.4	72%	0.717	49%	0.493	S	S	*	.	H	α-helix	trans	-66.2	-40	175.9	-172	178.6	169.5	112.1	-0.2	112.5	L312 K314 S320	L312-R316 VanDerWaalsContact O-CB 3.3Å; L312-R316 WeakPolarHBondContact O-CB 3.34Å; L312-R316 PolarHBondContact O-N 2.81Å; K314-R316 VanDerWaalsContact C-N 3.3Å; K314-R316 PolarHBondContact O-N 2.8Å; R316-S320 WeakPolarHBondContact O-CB 3.37Å; R316-S320 PolarHBondContact O-N 2.97Å; R316-S320 PolarHBondContact O-OG 3.01Å
317	N	80.1	Confident	78.3	Confident	80 Å²	80	105.3 Å²	105.3	43%	0.428	49%	0.493	S	S	.	.	H	α-helix	trans	-69	-38.1	176.2	-76.2	-27.4	0	0	0	111.8	N313 K314 S320 R321	N313-N317 VanDerWaalsContact O-CB 3.28Å; N313-N317 WeakPolarHBondContact O-CB 3.3Å; N313-N317 PolarHBondContact O-N 3.42Å; N313-N317 PolarHBondContact O-ND2 3.46Å; N313-N317 VanDerWaalsContact O-ND2 3.14Å; K314-N317 CarbonylContact O-C 3.56Å; K314-N317 PolarHBondContact O-N 3.26Å; K314-N317 VanDerWaalsContact O-N 3.1Å; N317-S320 PolarHBondContact O-N 3.17Å; N317-R321 WeakPolarHBondContact O-CB 3.23Å; N317-R321 WeakPolarHBondContact O-CG 3.48Å; N317-R321 PolarHBondContact O-N 3.39Å
318	D	79.8	Confident	77	Confident	88 Å²	88	110.6 Å²	110.6	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-71.8	-41.1	178.5	-67.7	-18.4	0	0	0	110.2	K314 E315 S320 R321 E322	K314-D318 WeakPolarHBondContact O-CB 3.39Å; K314-D318 PolarHBondContact O-N 3.24Å; E315-D318 PolarHBondContact O-N 3.23Å; D318-S320 VanDerWaalsContact C-N 3.3Å; D318-S320 PolarHBondContact O-N 2.7Å; D318-R321 PolarHBondContact O-N 2.9Å; D318-R321 IonicContact OD1-NE 2.77Å; D318-E322 VanDerWaalsContact O-CB 3.31Å; D318-E322 WeakPolarHBondContact O-CB 3.03Å; D318-E322 PolarHBondContact O-N 3.3Å
319	F	77.1	Confident	75.9	Confident	167 Å²	167	113.8 Å²	113.8	73%	0.732	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-40.6	168.6	-110.5	-85.2	0	0	0	112.3	E315 E322 K323	E315-F319 WeakPolarHBondContact O-CB 3.43Å; E315-F319 PolarHBondContact O-N 2.84Å; F319-E322 PolarHBondContact O-N 3.14Å; F319-K323 VanDerWaalsContact O-CB 3.3Å; F319-K323 WeakPolarHBondContact O-CB 3.45Å; F319-K323 PolarHBondContact O-N 2.82Å
320	S	76.9	Confident	74.1	Confident	55 Å²	55	115.5 Å²	115.5	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-69	-40.2	177.6	-58.1	0	0	0	0	111.5	R316 N317 D318 K323 I324	R316-S320 WeakPolarHBondContact O-CB 3.37Å; R316-S320 PolarHBondContact O-N 2.97Å; R316-S320 PolarHBondContact O-OG 3.01Å; N317-S320 PolarHBondContact O-N 3.17Å; D318-S320 VanDerWaalsContact C-N 3.3Å; D318-S320 PolarHBondContact O-N 2.7Å; S320-K323 PolarHBondContact O-N 3.46Å; S320-I324 WeakPolarHBondContact O-CB 3.44Å; S320-I324 WeakPolarHBondContact O-CD1 3.36Å; S320-I324 WeakPolarHBondContact O-CG1 3.48Å; S320-I324 PolarHBondContact O-N 2.94Å
321	R	75.9	Confident	72	Confident	144 Å²	144	115 Å²	115	54%	0.543	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-40.2	174.2	-79.1	-176	-120.2	-93.9	2	111.9	N317 D318 I324 K325	N317-R321 WeakPolarHBondContact O-CB 3.23Å; N317-R321 WeakPolarHBondContact O-CG 3.48Å; N317-R321 PolarHBondContact O-N 3.39Å; D318-R321 PolarHBondContact O-N 2.9Å; D318-R321 IonicContact OD1-NE 2.77Å; R321-I324 PolarHBondContact O-N 3.38Å; R321-K325 WeakPolarHBondContact O-CB 3.46Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.46Å; R321-K325 PolarHBondContact O-N 2.82Å
322	E	74.8	Confident	69.8	Low	99 Å²	99	117.5 Å²	117.5	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-67.6	-41.6	177.7	-157.8	64.3	-152.5	0	0	110.2	D318 F319 K325 Q326	D318-E322 VanDerWaalsContact O-CB 3.31Å; D318-E322 WeakPolarHBondContact O-CB 3.03Å; D318-E322 PolarHBondContact O-N 3.3Å; F319-E322 PolarHBondContact O-N 3.14Å; E322-K325 PolarHBondContact O-N 3.24Å; E322-Q326 WeakPolarHBondContact O-CB 3.38Å; E322-Q326 VanDerWaalsContact O-CG 3.27Å; E322-Q326 WeakPolarHBondContact O-CG 3.48Å; E322-Q326 PolarHBondContact O-N 3.48Å
323	K	74.7	Confident	67.7	Low	133 Å²	133	119.2 Å²	119.2	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-62.3	-44.9	173.1	-167.7	178.5	179.1	-178.5	0	112	F319 S320 K325 Q326 D327	F319-K323 VanDerWaalsContact O-CB 3.3Å; F319-K323 WeakPolarHBondContact O-CB 3.45Å; F319-K323 PolarHBondContact O-N 2.82Å; S320-K323 PolarHBondContact O-N 3.46Å; K323-K325 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 3.17Å; K323-Q326 PolarHBondContact O-N 3.1Å; K323-D327 WeakPolarHBondContact O-CB 3.4Å; K323-D327 VanDerWaalsContact O-CG 3.26Å; K323-D327 PolarHBondContact O-N 2.87Å
324	I	70.4	Confident	65.9	Low	99 Å²	99	123.6 Å²	123.6	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-38.6	175.4	-68.6	162.9	0	0	0	111.2	S320 R321 D327 M328	S320-I324 WeakPolarHBondContact O-CB 3.44Å; S320-I324 WeakPolarHBondContact O-CD1 3.36Å; S320-I324 WeakPolarHBondContact O-CG1 3.48Å; S320-I324 PolarHBondContact O-N 2.94Å; R321-I324 PolarHBondContact O-N 3.38Å; I324-D327 PolarHBondContact O-N 3.47Å; I324-M328 HydrophobicContact CG2-CG 4.38Å; I324-M328 WeakPolarHBondContact O-CB 3.42Å; I324-M328 WeakPolarHBondContact O-CG 3.48Å; I324-M328 PolarHBondContact O-N 3.2Å
325	K	67.6	Low	63.7	Low	123 Å²	123	127.8 Å²	127.8	54%	0.535	62%	0.621	S	S	.	*	H	α-helix	trans	-67.8	-36.4	174.6	-76.8	175.3	-179	180	0	112.3	R321 E322 K323 N329	R321-K325 WeakPolarHBondContact O-CB 3.46Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.46Å; R321-K325 PolarHBondContact O-N 2.82Å; E322-K325 PolarHBondContact O-N 3.24Å; K323-K325 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 3.17Å; K325-N329 WeakPolarHBondContact O-CB 3.44Å; K325-N329 VanDerWaalsContact O-CG 3.27Å; K325-N329 PolarHBondContact O-N 3.31Å; K325-N329 VanDerWaalsContact O-N 3.13Å; K325-N329 PolarHBondContact O-ND2 2.8Å
326	Q	63.7	Low	61.3	Low	112 Å²	112	129.2 Å²	129.2	52%	0.523	63%	0.632	S	S	.	*	H	α-helix	trans	-67.2	-43.2	174.1	-74.2	176.1	14.1	0	0	110.9	E322 K323 M328 N329 F330	E322-Q326 WeakPolarHBondContact O-CB 3.38Å; E322-Q326 VanDerWaalsContact O-CG 3.27Å; E322-Q326 WeakPolarHBondContact O-CG 3.48Å; E322-Q326 PolarHBondContact O-N 3.48Å; K323-Q326 PolarHBondContact O-N 3.1Å; Q326-M328 VanDerWaalsContact C-N 3.34Å; Q326-M328 PolarHBondContact O-N 3.34Å; Q326-N329 PolarHBondContact O-N 3Å; Q326-F330 WeakPolarHBondContact O-CD2 3.34Å; Q326-F330 PolarHBondContact O-N 2.97Å
327	D	61.5	Low	59.3	Low	104 Å²	104	127.9 Å²	127.9	56%	0.556	64%	0.639	S	S	*	*	H	α-helix	trans	-68.8	-30.3	178.5	-67.7	-18.9	0	0	0	112.3	K323 I324	K323-D327 WeakPolarHBondContact O-CB 3.4Å; K323-D327 VanDerWaalsContact O-CG 3.26Å; K323-D327 PolarHBondContact O-N 2.87Å; I324-D327 PolarHBondContact O-N 3.47Å
328	M	55.2	Low	57.3	Low	154 Å²	154	132.3 Å²	132.3	76%	0.759	66%	0.656	S	S	*	*	H	α-helix	trans	-81.6	-17	175.1	-71.3	-70.2	-173.4	0	0	114	I324 Q326	I324-M328 HydrophobicContact CG2-CG 4.38Å; I324-M328 WeakPolarHBondContact O-CB 3.42Å; I324-M328 WeakPolarHBondContact O-CG 3.48Å; I324-M328 PolarHBondContact O-N 3.2Å; Q326-M328 VanDerWaalsContact C-N 3.34Å; Q326-M328 PolarHBondContact O-N 3.34Å
329	N	57.6	Low	55.7	Low	140 Å²	140	133 Å²	133	75%	0.749	67%	0.668	S	S	*	*	H	α-helix	trans	-92.5	-4.8	178.4	-79.2	-18.4	0	0	0	113.7	K325 Q326 G331	K325-N329 WeakPolarHBondContact O-CB 3.44Å; K325-N329 VanDerWaalsContact O-CG 3.27Å; K325-N329 PolarHBondContact O-N 3.31Å; K325-N329 VanDerWaalsContact O-N 3.13Å; K325-N329 PolarHBondContact O-ND2 2.8Å; Q326-N329 PolarHBondContact O-N 3Å; N329-G331 VanDerWaalsContact C-N 3.34Å; N329-G331 PolarHBondContact O-N 2.92Å; N329-G331 VanDerWaalsContact O-N 3.16Å
330	F	47.1	Very low	54.1	Low	182 Å²	182	133.5 Å²	133.5	80%	0.798	67%	0.67	S	S	*	*	S	Bend	trans	-83	83.7	163.1	-81.8	-80.5	0	0	0	109.9	Q326 T332	Q326-F330 WeakPolarHBondContact O-CD2 3.34Å; Q326-F330 PolarHBondContact O-N 2.97Å; F330-T332 PolarHBondContact O-N 3.5Å
331	G	39.9	Very low	52.5	Low	61 Å²	61	137 Å²	137	63%	0.629	68%	0.684	S	S	*	*			trans	-61.1	127.4	166.9	0	0	0	0	0	111	N329	N329-G331 VanDerWaalsContact C-N 3.34Å; N329-G331 PolarHBondContact O-N 2.92Å; N329-G331 VanDerWaalsContact O-N 3.16Å
332	T	39.4	Very low	51.1	Low	129 Å²	129	138.7 Å²	138.7	79%	0.791	70%	0.704	S	S	*	*				173.6	120.6	120.7	34.1	0	0	0	0	109.1	F330	F330-T332 PolarHBondContact O-N 3.5Å
333	D	42.9	Very low	49.8	Very low	136 Å²	136	136.8 Å²	136.8	73%	0.727	71%	0.712	S	S	*	*			trans	23.9	109.6	142.5	-49.5	-23.8	0	0	0	118
334	K	45.2	Very low	48.7	Very low	180 Å²	180	137 Å²	137	78%	0.783	73%	0.726	S	S	*	*				153.9	124.7	119.9	-80	149.8	-161.7	172.9	0	111.6
335	K	40	Very low	47.9	Very low	185 Å²	185	138 Å²	138	80%	0.804	74%	0.742	S	S	*	*			trans	63.2	106.3	133.8	-59.1	178.6	-178.6	-175.5	0	117.7
336	L	33.7	Very low	47.2	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	73%	0.728	S	S	*	*				38.9	89.6	122.1	-155.5	85.2	0	0	0	115.6
337	L	40.6	Very low	47	Very low	162 Å²	162	134.5 Å²	134.5	85%	0.848	74%	0.74	S	S	*	*			trans	-134.8	108.1	154.1	-108.8	169.5	0	0	0	109	S339	L337-S339 PolarHBondContact O-N 2.97Å
338	H	39	Very low	46.9	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.796	74%	0.74	S	S	*	*			trans	-65.4	114.9	159.4	-73.4	-86.3	0	0	0	108.5
339	S	45.6	Very low	47	Very low	104 Å²	104	136 Å²	136	73%	0.727	75%	0.75	S	S	*	*			trans	-129.4	94	156.1	54.1	0	0	0	0	105.5	L337	L337-S339 PolarHBondContact O-N 2.97Å
340	K	44.8	Very low	47	Very low	177 Å²	177	133 Å²	133	77%	0.77	73%	0.734	S	S	*	*				50.6	116.7	92.9	-98.2	-175	171.4	-179.8	0	112.7
341	D	43.3	Very low	47.8	Very low	127 Å²	127	128 Å²	128	68%	0.679	72%	0.719	S	S	*	*			trans	74.4	97.3	140.8	-48	-25.8	0	0	0	116.1
342	D	46.7	Very low	48.7	Very low	180 Å²	180	129.8 Å²	129.8	96%	0.963	72%	0.722	S	S	*	*			trans	-171.1	60.8	141.6	-85.8	-26.5	0	0	0	109.5
343	G	47.6	Very low	49.8	Very low	60 Å²	60	130.7 Å²	130.7	62%	0.619	72%	0.717	S	S	*	*	S	Bend	trans	-116.2	137.8	164.8	0	0	0	0	0	108.6	S345	G343-S345 PolarHBondContact O-N 3.06Å
344	P	51.7	Low	50.4	Low	137 Å²	137	128.7 Å²	128.7	89%	0.89	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.4	-171.4	-18.8	29	0	0	0	111.9	D346	P344-D346 PolarHBondContact O-N 2.84Å
345	S	53.1	Low	50.9	Low	120 Å²	120	124.4 Å²	124.4	84%	0.839	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56.2	118.7	174.5	-65	0	0	0	0	111.1	G343	G343-S345 PolarHBondContact O-N 3.06Å
346	D	52.4	Low	51.7	Low	43 Å²	43	122.4 Å²	122.4	23%	0.23	68%	0.679	C	S	.	*	P	Polyproline II helix	trans	-63.1	129.6	168.4	-149.3	2.4	0	0	0	107.8	P344 L348 Y355 R358	P344-D346 PolarHBondContact O-N 2.84Å; D346-L348 PolarHBondContact O-N 3.35Å; D346-Y355 HydrophobicContact CB-CE1 3.9Å; D346-Y355 WeakPolarHBondContact CB-OH 3.36Å; D346-Y355 WeakPolarHBondContact OD2-CE1 3.29Å; D346-Y355 PolarHBondContact OD2-OH 2.9Å; D346-Y355 VanDerWaalsContact OD2-OH 3.13Å; D346-R358 IonicContact OD1-NH1 2.72Å; D346-R358 PolarHBondContact OD1-NH1 2.98Å; D346-R358 IonicContact OD2-CZ 3.1Å; D346-R358 IonicContact OD2-NH1 3.94Å; D346-R358 PolarHBondContact OD2-NH1 2.81Å
347	P	59.2	Low	53.1	Low	119 Å²	119	121.1 Å²	121.1	77%	0.773	67%	0.667	S	S	*	*	S	Bend	trans	-69	3.7	-176.4	25.4	-33.9	0	0	0	114.5
348	L	60.1	Low	54.3	Low	110 Å²	110	119.6 Å²	119.6	58%	0.576	65%	0.65	S	S	*	*	S	Bend	trans	-124.7	105.5	-177.6	-61.9	169.5	0	0	0	107.1	D346 L350	D346-L348 PolarHBondContact O-N 3.35Å; L348-L350 HydrophobicContact CB-CD1 3.44Å; L348-L350 VanDerWaalsContact CB-CD1 3.44Å; L348-L350 HydrophobicContact CB-CG 4.42Å; L348-L350 HydrophobicContact CD1-CD1 4.32Å; L348-L350 PolarHBondContact O-N 3.31Å
349	N	57.3	Low	55.7	Low	178 Å²	178	117.4 Å²	117.4	95%	0.952	64%	0.639	S	S	*	*			trans	-59.1	72.4	175.1	-89.4	-59.9	0	0	0	111.4
350	L	57.8	Low	56.9	Low	79 Å²	79	117.8 Å²	117.8	41%	0.414	63%	0.629	S	S	.	*			trans	-95.3	141.1	176.1	-76.2	130.8	0	0	0	109.5	L348 L354 Y355	L348-L350 HydrophobicContact CB-CD1 3.44Å; L348-L350 VanDerWaalsContact CB-CD1 3.44Å; L348-L350 HydrophobicContact CB-CG 4.42Å; L348-L350 HydrophobicContact CD1-CD1 4.32Å; L348-L350 PolarHBondContact O-N 3.31Å; L350-L354 HydrophobicContact CB-CD1 4.25Å; L350-L354 HydrophobicContact CD2-CD1 3.47Å; L350-L354 VanDerWaalsContact CD2-CD1 3.47Å; L350-L354 HydrophobicContact CG-CD1 4.49Å; L350-Y355 HydrophobicContact CB-CE2 4.49Å; L350-Y355 WeakPolarHBondContact O-CE2 3.37Å
351	P	63.2	Low	58.3	Low	76 Å²	76	116.8 Å²	116.8	49%	0.494	62%	0.62	S	S	.	*			trans	-52.5	143.6	177.5	-28.5	34.6	0	0	0	113.4	Q353 L354	P351-Q353 PolarHBondContact O-N 2.75Å; P351-L354 WeakPolarHBondContact O-CB 3.18Å; P351-L354 PolarHBondContact O-N 2.83Å
352	S	58.4	Low	59.8	Low	98 Å²	98	115.6 Å²	115.6	69%	0.685	61%	0.612	S	S	*	*	H	α-helix	trans	-51.6	-31.2	-179.6	53.7	0	0	0	0	113.8	L354 Y355	S352-L354 PolarHBondContact O-N 2.84Å; S352-Y355 PolarHBondContact O-N 2.83Å; S352-Y355 VanDerWaalsContact O-N 3.08Å
353	Q	63.7	Low	61.2	Low	148 Å²	148	112.1 Å²	112.1	69%	0.692	59%	0.59	S	S	*	*	H	α-helix	trans	-63.7	-19.2	176.8	-65.4	152.5	-25.7	0	0	113.7	P351	P351-Q353 PolarHBondContact O-N 2.75Å
354	L	54.9	Low	62.4	Low	95 Å²	95	113.5 Å²	113.5	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-87.2	-23	174.8	-64.3	179.6	0	0	0	112.7	L350 P351 S352 R358	L350-L354 HydrophobicContact CB-CD1 4.25Å; L350-L354 HydrophobicContact CD2-CD1 3.47Å; L350-L354 VanDerWaalsContact CD2-CD1 3.47Å; L350-L354 HydrophobicContact CG-CD1 4.49Å; P351-L354 WeakPolarHBondContact O-CB 3.18Å; P351-L354 PolarHBondContact O-N 2.83Å; S352-L354 PolarHBondContact O-N 2.84Å; L354-R358 PolarHBondContact O-N 3.35Å
355	Y	55.8	Low	63.5	Low	90 Å²	90	111 Å²	111	35%	0.353	56%	0.559	S	S	.	*	H	α-helix	trans	-73.3	-35.3	176.8	-76.5	-91.7	0	0	0	113	D346 L350 S352 K357 R358 F359	D346-Y355 HydrophobicContact CB-CE1 3.9Å; D346-Y355 WeakPolarHBondContact CB-OH 3.36Å; D346-Y355 WeakPolarHBondContact OD2-CE1 3.29Å; D346-Y355 PolarHBondContact OD2-OH 2.9Å; D346-Y355 VanDerWaalsContact OD2-OH 3.13Å; L350-Y355 HydrophobicContact CB-CE2 4.49Å; L350-Y355 WeakPolarHBondContact O-CE2 3.37Å; S352-Y355 PolarHBondContact O-N 2.83Å; S352-Y355 VanDerWaalsContact O-N 3.08Å; Y355-K357 VanDerWaalsContact C-N 3.28Å; Y355-K357 PolarHBondContact O-N 3.46Å; Y355-R358 WeakPolarHBondContact O-CA 3.44Å; Y355-R358 WeakPolarHBondContact O-CB 3.47Å; Y355-R358 PolarHBondContact O-N 3.35Å; Y355-F359 PolarHBondContact O-N 3.27Å
356	E	57	Low	64.9	Low	142 Å²	142	109.8 Å²	109.8	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-59.1	-42.9	179.9	-152	164.3	-154	0	0	110.4	R358 E360	E356-R358 PolarHBondContact O-N 3.44Å; E356-E360 WeakPolarHBondContact O-CG 3.28Å; E356-E360 PolarHBondContact O-N 3.01Å; E356-E360 VanDerWaalsContact O-N 3.17Å
357	K	64.1	Low	66.4	Low	126 Å²	126	112.9 Å²	112.9	55%	0.548	56%	0.559	S	S	.	*	H	α-helix	trans	-71	-26.1	171.7	-72.5	-176	179.6	177.1	0	114	Y355 R361	Y355-K357 VanDerWaalsContact C-N 3.28Å; Y355-K357 PolarHBondContact O-N 3.46Å; K357-R361 VanDerWaalsContact O-CB 3.3Å; K357-R361 WeakPolarHBondContact O-CB 3.38Å; K357-R361 WeakPolarHBondContact O-CG 3.32Å; K357-R361 PolarHBondContact O-N 2.79Å
358	R	64.2	Low	67.5	Low	131 Å²	131	110.6 Å²	110.6	49%	0.494	54%	0.54	S	S	.	.	H	α-helix	trans	-75.5	-38.8	177.8	-168.4	179.2	-167.7	-174.7	2	111.3	D346 L354 Y355 E356 R361 M362	D346-R358 IonicContact OD1-NH1 2.72Å; D346-R358 PolarHBondContact OD1-NH1 2.98Å; D346-R358 IonicContact OD2-CZ 3.1Å; D346-R358 IonicContact OD2-NH1 3.94Å; D346-R358 PolarHBondContact OD2-NH1 2.81Å; L354-R358 PolarHBondContact O-N 3.35Å; Y355-R358 WeakPolarHBondContact O-CA 3.44Å; Y355-R358 WeakPolarHBondContact O-CB 3.47Å; Y355-R358 PolarHBondContact O-N 3.35Å; E356-R358 PolarHBondContact O-N 3.44Å; R358-R361 PolarHBondContact O-N 3.42Å; R358-M362 WeakPolarHBondContact O-CB 3.36Å; R358-M362 PolarHBondContact O-N 2.9Å
359	F	68.4	Low	68.6	Low	126 Å²	126	111.3 Å²	111.3	55%	0.553	54%	0.538	S	S	*	.	H	α-helix	trans	-68.3	-45.3	176.4	-174.1	-112.7	0	0	0	111.4	Y355 R361 M362 Q363	Y355-F359 PolarHBondContact O-N 3.27Å; F359-R361 PolarHBondContact O-N 3.43Å; F359-M362 WeakPolarHBondContact O-CB 3.5Å; F359-M362 PolarHBondContact O-N 3.49Å; F359-M362 VanDerWaalsContact O-N 3.15Å; F359-Q363 PolarHBondContact O-N 3.03Å
360	E	71.4	Confident	69.9	Low	112 Å²	112	109 Å²	109	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-58.2	-47.1	171.6	-73	-179.6	164.7	0	0	111.5	E356 M362 Q363 E364	E356-E360 WeakPolarHBondContact O-CG 3.28Å; E356-E360 PolarHBondContact O-N 3.01Å; E356-E360 VanDerWaalsContact O-N 3.17Å; E360-M362 VanDerWaalsContact C-N 3.3Å; E360-M362 PolarHBondContact O-N 3.12Å; E360-Q363 PolarHBondContact O-N 2.8Å; E360-E364 WeakPolarHBondContact O-CG 3.33Å; E360-E364 PolarHBondContact O-N 3.27Å
361	R	73.1	Confident	71.2	Confident	155 Å²	155	108.8 Å²	108.8	59%	0.585	52%	0.52	S	S	*	.	H	α-helix	trans	-59	-38.3	174	-78.5	178.5	-144.4	-165.3	5.7	113	K357 R358 F359 E364 D365	K357-R361 VanDerWaalsContact O-CB 3.3Å; K357-R361 WeakPolarHBondContact O-CB 3.38Å; K357-R361 WeakPolarHBondContact O-CG 3.32Å; K357-R361 PolarHBondContact O-N 2.79Å; R358-R361 PolarHBondContact O-N 3.42Å; F359-R361 PolarHBondContact O-N 3.43Å; R361-E364 PolarHBondContact O-N 2.86Å; R361-D365 WeakPolarHBondContact O-CB 3.43Å; R361-D365 VanDerWaalsContact O-CG 3.26Å; R361-D365 PolarHBondContact O-N 3.42Å
362	M	74.7	Confident	72.2	Confident	103 Å²	103	111.5 Å²	111.5	51%	0.507	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177.5	-169.1	-170.2	-55.4	0	0	111.2	R358 F359 E360 D365 L366	R358-M362 WeakPolarHBondContact O-CB 3.36Å; R358-M362 PolarHBondContact O-N 2.9Å; F359-M362 WeakPolarHBondContact O-CB 3.5Å; F359-M362 PolarHBondContact O-N 3.49Å; F359-M362 VanDerWaalsContact O-N 3.15Å; E360-M362 VanDerWaalsContact C-N 3.3Å; E360-M362 PolarHBondContact O-N 3.12Å; M362-D365 PolarHBondContact O-N 2.89Å; M362-L366 VanDerWaalsContact O-CG 3.26Å; M362-L366 WeakPolarHBondContact O-CG 3.5Å; M362-L366 PolarHBondContact O-N 2.78Å
363	Q	77.6	Confident	73.3	Confident	106 Å²	106	115 Å²	115	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-42.7	173.6	-70.3	-173	27	0	0	111.9	F359 E360 D365 L366 L367	F359-Q363 PolarHBondContact O-N 3.03Å; E360-Q363 PolarHBondContact O-N 2.8Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 2.78Å; Q363-L366 PolarHBondContact O-N 3.06Å; Q363-L367 WeakPolarHBondContact O-CB 3.41Å; Q363-L367 PolarHBondContact O-N 3.44Å
364	E	71.4	Confident	74.4	Confident	90 Å²	90	114 Å²	114	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-58.6	-44.4	173.4	-73.4	-179.1	-176	0	0	111.4	R18 E360 R361 L366 L367 L368	R18-E364 IonicContact NH2-OE2 3.62Å; R18-E364 PolarHBondContact NH2-OE2 3.34Å; E360-E364 WeakPolarHBondContact O-CG 3.33Å; E360-E364 PolarHBondContact O-N 3.27Å; R361-E364 PolarHBondContact O-N 2.86Å; E364-L366 PolarHBondContact O-N 3.34Å; E364-L367 PolarHBondContact O-N 3.41Å; E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.42Å; E364-L368 PolarHBondContact O-N 3.45Å
365	D	75.7	Confident	76	Confident	84 Å²	84	112 Å²	112	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-37.6	178	-79.4	-15.4	0	0	0	111.9	R361 M362 Q363 K369	R361-D365 WeakPolarHBondContact O-CB 3.43Å; R361-D365 VanDerWaalsContact O-CG 3.26Å; R361-D365 PolarHBondContact O-N 3.42Å; M362-D365 PolarHBondContact O-N 2.89Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 2.78Å; D365-K369 WeakPolarHBondContact O-CB 3.46Å; D365-K369 WeakPolarHBondContact O-CD 3.35Å; D365-K369 WeakPolarHBondContact O-CG 3.39Å; D365-K369 PolarHBondContact O-N 2.75Å
366	L	81.6	Confident	77.6	Confident	95 Å²	95	116.9 Å²	116.9	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-44.9	174.7	-72.5	174.6	0	0	0	111.6	M362 Q363 E364 K369 Q370	M362-L366 VanDerWaalsContact O-CG 3.26Å; M362-L366 WeakPolarHBondContact O-CG 3.5Å; M362-L366 PolarHBondContact O-N 2.78Å; Q363-L366 PolarHBondContact O-N 3.06Å; E364-L366 PolarHBondContact O-N 3.34Å; L366-K369 WeakPolarHBondContact O-CB 3.41Å; L366-K369 PolarHBondContact O-N 3.29Å; L366-Q370 PolarHBondContact O-N 2.94Å
367	L	85.1	Confident	79.1	Confident	107 Å²	107	112.5 Å²	112.5	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-59.1	-47.3	174.3	-172.5	97.4	0	0	0	110.5	Q363 E364 K369 Q370 I371	Q363-L367 WeakPolarHBondContact O-CB 3.41Å; Q363-L367 PolarHBondContact O-N 3.44Å; E364-L367 PolarHBondContact O-N 3.41Å; L367-K369 VanDerWaalsContact C-N 3.33Å; L367-K369 PolarHBondContact O-N 3.32Å; L367-Q370 WeakPolarHBondContact O-CB 3.39Å; L367-Q370 PolarHBondContact O-N 3.43Å; L367-Q370 VanDerWaalsContact O-N 3.08Å; L367-I371 HydrophobicContact CD2-CD1 4Å; L367-I371 HydrophobicContact CG-CD1 4.07Å; L367-I371 WeakPolarHBondContact O-CG1 3.41Å; L367-I371 PolarHBondContact O-N 3.4Å
368	L	82.3	Confident	80.3	Confident	71 Å²	71	110.8 Å²	110.8	37%	0.372	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.3	-172.3	67.2	0	0	0	111.7	E364 Q370 I371 K372	E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.42Å; E364-L368 PolarHBondContact O-N 3.45Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; L368-I371 PolarHBondContact O-N 2.81Å; L368-K372 HydrophobicContact CG-CD 4.43Å; L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 VanDerWaalsContact O-CG 3.29Å; L368-K372 WeakPolarHBondContact O-CG 3.46Å; L368-K372 PolarHBondContact O-N 2.94Å
369	K	82.8	Confident	81.3	Confident	125 Å²	125	112.3 Å²	112.3	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-36.3	172.8	-76.7	168.5	-175.6	173.6	0	112.2	D365 L366 L367 R373	D365-K369 WeakPolarHBondContact O-CB 3.46Å; D365-K369 WeakPolarHBondContact O-CD 3.35Å; D365-K369 WeakPolarHBondContact O-CG 3.39Å; D365-K369 PolarHBondContact O-N 2.75Å; L366-K369 WeakPolarHBondContact O-CB 3.41Å; L366-K369 PolarHBondContact O-N 3.29Å; L367-K369 VanDerWaalsContact C-N 3.33Å; L367-K369 PolarHBondContact O-N 3.32Å; K369-R373 WeakPolarHBondContact O-CB 3.26Å; K369-R373 PolarHBondContact O-N 2.92Å
370	Q	84.4	Confident	82.2	Confident	129 Å²	129	111 Å²	111	60%	0.603	51%	0.511	S	S	*	.	H	α-helix	trans	-69	-46.3	176.3	-174.4	168.7	-7.2	0	0	111.5	L366 L367 L368 K372 R373 H374	L366-Q370 PolarHBondContact O-N 2.94Å; L367-Q370 WeakPolarHBondContact O-CB 3.39Å; L367-Q370 PolarHBondContact O-N 3.43Å; L367-Q370 VanDerWaalsContact O-N 3.08Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; Q370-K372 PolarHBondContact O-N 3.48Å; Q370-R373 WeakPolarHBondContact O-CB 3.35Å; Q370-R373 PolarHBondContact O-N 3.29Å; Q370-H374 PolarHBondContact O-N 3.29Å
371	I	85.2	Confident	82.8	Confident	76 Å²	76	111.9 Å²	111.9	39%	0.39	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-46.6	175.1	-66.5	166.1	0	0	0	110.7	L367 L368 R373 H374 L375	L367-I371 HydrophobicContact CD2-CD1 4Å; L367-I371 HydrophobicContact CG-CD1 4.07Å; L367-I371 WeakPolarHBondContact O-CG1 3.41Å; L367-I371 PolarHBondContact O-N 3.4Å; L368-I371 PolarHBondContact O-N 2.81Å; I371-R373 VanDerWaalsContact C-N 3.33Å; I371-R373 PolarHBondContact O-N 3.46Å; I371-H374 PolarHBondContact O-N 3.02Å; I371-L375 HydrophobicContact CG2-CD1 3.95Å; I371-L375 PolarHBondContact O-N 3.03Å
372	K	84.6	Confident	83.3	Confident	132 Å²	132	111.5 Å²	111.5	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-39.1	176.2	-76.8	179.2	177.9	-177.6	0	112.5	L368 Q370 R376	L368-K372 HydrophobicContact CG-CD 4.43Å; L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 VanDerWaalsContact O-CG 3.29Å; L368-K372 WeakPolarHBondContact O-CG 3.46Å; L368-K372 PolarHBondContact O-N 2.94Å; Q370-K372 PolarHBondContact O-N 3.48Å; K372-R376 VanDerWaalsContact O-CB 3.25Å; K372-R376 WeakPolarHBondContact O-CB 3.44Å; K372-R376 PolarHBondContact O-N 3.39Å
373	R	80.7	Confident	83.7	Confident	172 Å²	172	111.2 Å²	111.2	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-46.5	174.1	-101.2	-175.3	-67.6	-170.7	1.2	111.6	K369 Q370 I371 R376 A377	K369-R373 WeakPolarHBondContact O-CB 3.26Å; K369-R373 PolarHBondContact O-N 2.92Å; Q370-R373 WeakPolarHBondContact O-CB 3.35Å; Q370-R373 PolarHBondContact O-N 3.29Å; I371-R373 VanDerWaalsContact C-N 3.33Å; I371-R373 PolarHBondContact O-N 3.46Å; R373-R376 PolarHBondContact O-N 2.92Å; R373-A377 WeakPolarHBondContact O-CB 3.45Å; R373-A377 PolarHBondContact O-N 2.89Å
374	H	87.6	Confident	84.1	Confident	127 Å²	127	108.9 Å²	108.9	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-62.6	-47.7	179.3	-175.6	74.7	0	0	0	111.7	Q370 I371 R376 A377 Q378	Q370-H374 PolarHBondContact O-N 3.29Å; I371-H374 PolarHBondContact O-N 3.02Å; H374-R376 VanDerWaalsContact C-N 3.35Å; H374-R376 PolarHBondContact O-N 3.5Å; H374-A377 PolarHBondContact O-N 2.94Å; H374-Q378 WeakPolarHBondContact O-CB 3.04Å; H374-Q378 PolarHBondContact O-N 2.95Å
375	L	87.8	Confident	84.7	Confident	54 Å²	54	109.1 Å²	109.1	28%	0.283	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-41.2	175.2	-91.3	156.6	0	0	0	112.9	F16 I371 Q378 R379	F16-L375 HydrophobicContact CD2-CD1 4.2Å; F16-L375 HydrophobicContact CE2-CD1 3.57Å; F16-L375 HydrophobicContact CZ-CD1 4.44Å; I371-L375 HydrophobicContact CG2-CD1 3.95Å; I371-L375 PolarHBondContact O-N 3.03Å; L375-Q378 PolarHBondContact O-N 3.19Å; L375-R379 WeakPolarHBondContact O-CB 3.32Å; L375-R379 PolarHBondContact O-N 3.3Å
376	R	89.4	Confident	85	Confident	192 Å²	192	108 Å²	108	73%	0.725	54%	0.536	S	S	*	.	H	α-helix	trans	-63.1	-43.3	175	-171.7	-177.2	-168	-143.2	3.8	111.1	K372 R373 H374 R379 L380	K372-R376 VanDerWaalsContact O-CB 3.25Å; K372-R376 WeakPolarHBondContact O-CB 3.44Å; K372-R376 PolarHBondContact O-N 3.39Å; R373-R376 PolarHBondContact O-N 2.92Å; H374-R376 VanDerWaalsContact C-N 3.35Å; H374-R376 PolarHBondContact O-N 3.5Å; R376-R379 PolarHBondContact O-N 2.9Å; R376-L380 WeakPolarHBondContact O-CB 3.45Å; R376-L380 PolarHBondContact O-N 3.36Å
377	A	89	Confident	85.2	Confident	50 Å²	50	107.1 Å²	107.1	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177.5	0	0	0	0	0	111.6	R373 H374 L380 L381	R373-A377 WeakPolarHBondContact O-CB 3.45Å; R373-A377 PolarHBondContact O-N 2.89Å; H374-A377 PolarHBondContact O-N 2.94Å; A377-L380 PolarHBondContact O-N 3.45Å; A377-L381 WeakPolarHBondContact O-CB 3.29Å; A377-L381 WeakPolarHBondContact O-CG 3.34Å; A377-L381 PolarHBondContact O-N 2.94Å
378	Q	89.3	Confident	85	Confident	89 Å²	89	107 Å²	107	42%	0.416	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-44.4	176.1	-170.8	-179.2	10.2	0	0	111.9	H374 L375 L381 Q382	H374-Q378 WeakPolarHBondContact O-CB 3.04Å; H374-Q378 PolarHBondContact O-N 2.95Å; L375-Q378 PolarHBondContact O-N 3.19Å; Q378-L381 PolarHBondContact O-N 3.39Å; Q378-Q382 WeakPolarHBondContact O-CB 3.48Å; Q378-Q382 WeakPolarHBondContact O-CG 3.41Å; Q378-Q382 PolarHBondContact O-N 2.91Å
379	R	86.4	Confident	85.1	Confident	163 Å²	163	106 Å²	106	62%	0.615	55%	0.547	S	S	*	.	H	α-helix	trans	-61	-43.2	173.4	-86.4	-177.4	175.5	155.6	-3	112.1	L375 R376 Q382 S383	L375-R379 WeakPolarHBondContact O-CB 3.32Å; L375-R379 PolarHBondContact O-N 3.3Å; R376-R379 PolarHBondContact O-N 2.9Å; R379-Q382 PolarHBondContact O-N 3.15Å; R379-S383 WeakPolarHBondContact O-CB 3.2Å; R379-S383 PolarHBondContact O-N 2.86Å; R379-S383 PolarHBondContact O-OG 3.25Å; R379-S383 VanDerWaalsContact O-OG 3.1Å
380	L	85.7	Confident	85.3	Confident	99 Å²	99	104.4 Å²	104.4	52%	0.518	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-44.9	178.6	-163.2	151.6	0	0	0	110.5	R376 A377 S383 A384	R376-L380 WeakPolarHBondContact O-CB 3.45Å; R376-L380 PolarHBondContact O-N 3.36Å; A377-L380 PolarHBondContact O-N 3.45Å; L380-S383 WeakPolarHBondContact CA-OG 3.28Å; L380-S383 PolarHBondContact O-N 3.48Å; L380-S383 PolarHBondContact O-OG 2.91Å; L380-A384 WeakPolarHBondContact O-CB 3.49Å; L380-A384 PolarHBondContact O-N 3.28Å
381	L	85.4	Confident	85.4	Confident	130 Å²	130	103.2 Å²	103.2	68%	0.681	54%	0.538	S	S	*	.	H	α-helix	trans	-62	-40.2	173.9	-73.4	170.2	0	0	0	112.9	A377 Q378 A384	A377-L381 WeakPolarHBondContact O-CB 3.29Å; A377-L381 WeakPolarHBondContact O-CG 3.34Å; A377-L381 PolarHBondContact O-N 2.94Å; Q378-L381 PolarHBondContact O-N 3.39Å; L381-A384 PolarHBondContact O-N 3.39Å
382	Q	82.7	Confident	85.5	Confident	148 Å²	148	104.6 Å²	104.6	69%	0.692	54%	0.542	S	S	*	.	H	α-helix	trans	-68.1	-34.7	176.1	-75.8	178.5	-13.7	0	0	112.7	Q378 R379	Q378-Q382 WeakPolarHBondContact O-CB 3.48Å; Q378-Q382 WeakPolarHBondContact O-CG 3.41Å; Q378-Q382 PolarHBondContact O-N 2.91Å; R379-Q382 PolarHBondContact O-N 3.15Å
383	S	83.9	Confident	85.7	Confident	97 Å²	97	106.8 Å²	106.8	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-82.9	-16.8	176.4	66.3	0	0	0	0	113.9	R379 L380 S385	R379-S383 WeakPolarHBondContact O-CB 3.2Å; R379-S383 PolarHBondContact O-N 2.86Å; R379-S383 PolarHBondContact O-OG 3.25Å; R379-S383 VanDerWaalsContact O-OG 3.1Å; L380-S383 WeakPolarHBondContact CA-OG 3.28Å; L380-S383 PolarHBondContact O-N 3.48Å; L380-S383 PolarHBondContact O-OG 2.91Å; S383-S385 PolarHBondContact O-N 3.41Å
384	A	85.5	Confident	86	Confident	57 Å²	57	103.3 Å²	103.3	47%	0.471	54%	0.538	S	S	.	.			trans	-79.1	109.4	-179.4	0	0	0	0	0	109.7	L380 L381	L380-A384 WeakPolarHBondContact O-CB 3.49Å; L380-A384 PolarHBondContact O-N 3.28Å; L381-A384 PolarHBondContact O-N 3.39Å
385	S	83.1	Confident	86	Confident	95 Å²	95	103.1 Å²	103.1	66%	0.664	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-96.7	148.1	163.9	-174.7	0	0	0	0	110	S383	S383-S385 PolarHBondContact O-N 3.41Å
386	L	82.8	Confident	86.1	Confident	60 Å²	60	106.3 Å²	106.3	31%	0.314	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-66.4	142.2	172.6	-74.6	172.7	0	0	0	109.7	M390 E391 Q394	L386-M390 HydrophobicContact CB-CB 4.18Å; L386-M390 HydrophobicContact CD2-CB 4.14Å; L386-M390 HydrophobicContact CD2-CE 3.96Å; L386-E391 HydrophobicContact CB-CB 4Å; L386-Q394 HydrophobicContact CD1-CB 4.35Å
387	P	85.6	Confident	86.1	Confident	77 Å²	77	101.9 Å²	101.9	50%	0.5	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-53.4	144.3	167.4	-25	33.7	0	0	0	110.2	G389 M390 E391	P387-G389 PolarHBondContact O-N 2.89Å; P387-M390 HydrophobicContact CG-SD 4.4Å; P387-M390 WeakPolarHBondContact O-CA 3.4Å; P387-M390 PolarHBondContact O-N 2.95Å; P387-E391 PolarHBondContact O-N 3.23Å
388	P	81.1	Confident	86.2	Confident	105 Å²	105	102.8 Å²	102.8	68%	0.682	53%	0.532	S	S	*	.	H	α-helix	trans	-51.1	-36.2	-171.6	-30.6	34.4	0	0	0	114.7	E392	P388-E392 WeakPolarHBondContact O-CB 3.4Å; P388-E392 PolarHBondContact O-N 2.92Å
389	G	84.2	Confident	86.1	Confident	48 Å²	48	103.2 Å²	103.2	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-71.3	-28	177	0	0	0	0	0	115	P387 R393	P387-G389 PolarHBondContact O-N 2.89Å; G389-R393 WeakPolarHBondContact O-CB 3.26Å; G389-R393 PolarHBondContact O-N 3.43Å
390	M	86.1	Confident	86.2	Confident	93 Å²	93	102.3 Å²	102.3	46%	0.458	53%	0.532	S	S	.	.	H	α-helix	trans	-80.2	-40.3	173	-73.2	-174.3	66.7	0	0	111.1	L386 P387 R393 Q394	L386-M390 HydrophobicContact CB-CB 4.18Å; L386-M390 HydrophobicContact CD2-CB 4.14Å; L386-M390 HydrophobicContact CD2-CE 3.96Å; P387-M390 HydrophobicContact CG-SD 4.4Å; P387-M390 WeakPolarHBondContact O-CA 3.4Å; P387-M390 PolarHBondContact O-N 2.95Å; M390-R393 WeakPolarHBondContact O-CB 3.47Å; M390-R393 PolarHBondContact O-N 3.38Å; M390-Q394 PolarHBondContact O-N 3.4Å
391	E	87	Confident	86.3	Confident	104 Å²	104	104.5 Å²	104.5	49%	0.486	53%	0.533	S	S	.	.	H	α-helix	trans	-57.7	-49.6	174.1	-171.4	178.1	-169.2	0	0	110.9	L386 P387 R393 Q394 H395	L386-E391 HydrophobicContact CB-CB 4Å; P387-E391 PolarHBondContact O-N 3.23Å; E391-R393 VanDerWaalsContact C-N 3.29Å; E391-R393 PolarHBondContact O-N 2.91Å; E391-Q394 PolarHBondContact O-N 2.93Å; E391-Q394 VanDerWaalsContact O-N 3.1Å; E391-H395 WeakPolarHBondContact O-CB 3.47Å; E391-H395 PolarHBondContact O-N 2.96Å
392	E	86.9	Confident	86.4	Confident	104 Å²	104	104.1 Å²	104.1	49%	0.486	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-34.2	177.6	-162.6	-165	175.1	0	0	112.2	P388 R396	P388-E392 WeakPolarHBondContact O-CB 3.4Å; P388-E392 PolarHBondContact O-N 2.92Å; E392-R396 WeakPolarHBondContact O-CB 3.34Å; E392-R396 WeakPolarHBondContact O-CG 3.26Å; E392-R396 PolarHBondContact O-N 3.27Å; E392-R396 PolarHBondContact O-NE 3.44Å; E392-R396 IonicContact OE1-CZ 3.98Å; E392-R396 IonicContact OE1-NH1 2.99Å; E392-R396 PolarHBondContact OE1-NH1 3.48Å; E392-R396 IonicContact OE1-NH2 2.76Å; E392-R396 IonicContact OE2-CZ 2.69Å; E392-R396 IonicContact OE2-NH1 3.74Å; E392-R396 PolarHBondContact OE2-NH1 2.97Å; E392-R396 IonicContact OE2-NH2 3.35Å; E392-R396 PolarHBondContact OE2-NH2 3.48Å
393	R	89.2	Confident	86.5	Confident	179 Å²	179	103.7 Å²	103.7	68%	0.675	53%	0.526	S	S	*	.	H	α-helix	trans	-65.4	-43.1	173.5	-175.7	-173.4	-62.3	-95.5	-1.5	111.2	G389 M390 E391 R396 M397	G389-R393 WeakPolarHBondContact O-CB 3.26Å; G389-R393 PolarHBondContact O-N 3.43Å; M390-R393 WeakPolarHBondContact O-CB 3.47Å; M390-R393 PolarHBondContact O-N 3.38Å; E391-R393 VanDerWaalsContact C-N 3.29Å; E391-R393 PolarHBondContact O-N 2.91Å; R393-R396 PolarHBondContact O-N 2.96Å; R393-M397 WeakPolarHBondContact O-CB 3.48Å; R393-M397 PolarHBondContact O-N 3.46Å
394	Q	86.6	Confident	86.5	Confident	99 Å²	99	107.3 Å²	107.3	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-43.2	177	-166.2	-178.8	16.4	0	0	110.6	L386 M390 E391 R396 M397 N398	L386-Q394 HydrophobicContact CD1-CB 4.35Å; M390-Q394 PolarHBondContact O-N 3.4Å; E391-Q394 PolarHBondContact O-N 2.93Å; E391-Q394 VanDerWaalsContact O-N 3.1Å; Q394-R396 PolarHBondContact O-N 3.41Å; Q394-M397 PolarHBondContact O-N 2.86Å; Q394-N398 WeakPolarHBondContact O-CB 3.38Å; Q394-N398 PolarHBondContact O-N 2.97Å
395	H	87.8	Confident	86.3	Confident	123 Å²	123	108.9 Å²	108.9	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-58.2	-48.9	174.4	-167.3	-65.7	0	0	0	111.5	E391 M397 N398 M399	E391-H395 WeakPolarHBondContact O-CB 3.47Å; E391-H395 PolarHBondContact O-N 2.96Å; H395-M397 VanDerWaalsContact C-N 3.32Å; H395-M397 PolarHBondContact O-N 2.89Å; H395-N398 PolarHBondContact O-N 3.02Å; H395-M399 WeakPolarHBondContact O-CG 3.33Å; H395-M399 PolarHBondContact O-N 3.37Å
396	R	90.8	Very high	86.3	Confident	120 Å²	120	107 Å²	107	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-36.5	175.3	-78.1	-174.1	-74.1	-121.8	-9	113.2	E392 R393 Q394 R400	E392-R396 WeakPolarHBondContact O-CB 3.34Å; E392-R396 WeakPolarHBondContact O-CG 3.26Å; E392-R396 PolarHBondContact O-N 3.27Å; E392-R396 PolarHBondContact O-NE 3.44Å; E392-R396 IonicContact OE1-CZ 3.98Å; E392-R396 IonicContact OE1-NH1 2.99Å; E392-R396 PolarHBondContact OE1-NH1 3.48Å; E392-R396 IonicContact OE1-NH2 2.76Å; E392-R396 IonicContact OE2-CZ 2.69Å; E392-R396 IonicContact OE2-NH1 3.74Å; E392-R396 PolarHBondContact OE2-NH1 2.97Å; E392-R396 IonicContact OE2-NH2 3.35Å; E392-R396 PolarHBondContact OE2-NH2 3.48Å; R393-R396 PolarHBondContact O-N 2.96Å; Q394-R396 PolarHBondContact O-N 3.41Å; R396-R400 WeakPolarHBondContact O-CG 3.47Å; R396-R400 PolarHBondContact O-N 3.11Å; R396-R400 VanDerWaalsContact O-N 3.14Å; R396-R400 PolarHBondContact O-NE 3.43Å
397	M	89.4	Confident	86.3	Confident	99 Å²	99	112.2 Å²	112.2	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-67.6	-44.1	175.3	-179.1	-178.3	149.7	0	0	111.3	R393 Q394 H395 R400 R401	R393-M397 WeakPolarHBondContact O-CB 3.48Å; R393-M397 PolarHBondContact O-N 3.46Å; Q394-M397 PolarHBondContact O-N 2.86Å; H395-M397 VanDerWaalsContact C-N 3.32Å; H395-M397 PolarHBondContact O-N 2.89Å; M397-R400 PolarHBondContact O-N 2.83Å; M397-R401 PolarHBondContact O-N 3.28Å
398	N	90	Very high	85.7	Confident	70 Å²	70	110.3 Å²	110.3	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-43.5	177.7	-74.7	-14	0	0	0	111.4	Q394 H395 R400 R401 Q402	Q394-N398 WeakPolarHBondContact O-CB 3.38Å; Q394-N398 PolarHBondContact O-N 2.97Å; H395-N398 PolarHBondContact O-N 3.02Å; N398-R400 PolarHBondContact O-N 3.38Å; N398-R401 WeakPolarHBondContact O-CB 3.36Å; N398-R401 PolarHBondContact O-N 3.24Å; N398-R401 VanDerWaalsContact O-N 3.14Å; N398-Q402 WeakPolarHBondContact O-CG 3.35Å; N398-Q402 PolarHBondContact O-N 3.4Å
399	M	88.4	Confident	85.6	Confident	97 Å²	97	113 Å²	113	48%	0.478	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-46.3	173.4	-71.5	-59.3	-67.8	0	0	111.9	H395 R401 Q402 E403	H395-M399 WeakPolarHBondContact O-CG 3.33Å; H395-M399 PolarHBondContact O-N 3.37Å; M399-R401 VanDerWaalsContact C-N 3.31Å; M399-R401 PolarHBondContact O-N 2.82Å; M399-Q402 PolarHBondContact O-N 3.16Å; M399-E403 WeakPolarHBondContact O-CB 3.42Å; M399-E403 PolarHBondContact O-N 3.47Å
400	R	88.1	Confident	85.3	Confident	144 Å²	144	121.5 Å²	121.5	54%	0.543	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-35.5	175.1	-75.8	-174.8	-68.8	-171.4	0.3	112.8	R396 M397 N398 R404	R396-R400 WeakPolarHBondContact O-CG 3.47Å; R396-R400 PolarHBondContact O-N 3.11Å; R396-R400 VanDerWaalsContact O-N 3.14Å; R396-R400 PolarHBondContact O-NE 3.43Å; M397-R400 PolarHBondContact O-N 2.83Å; N398-R400 PolarHBondContact O-N 3.38Å; R400-R404 VanDerWaalsContact O-CG 3.28Å; R400-R404 WeakPolarHBondContact O-CG 3.48Å; R400-R404 PolarHBondContact O-N 2.9Å
401	R	88.5	Confident	84.8	Confident	146 Å²	146	121.1 Å²	121.1	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-67.6	-43.2	175.3	-175.9	-175.8	-103.4	-158.6	-4.2	110.8	M397 N398 M399 R404 K405	M397-R401 PolarHBondContact O-N 3.28Å; N398-R401 WeakPolarHBondContact O-CB 3.36Å; N398-R401 PolarHBondContact O-N 3.24Å; N398-R401 VanDerWaalsContact O-N 3.14Å; M399-R401 VanDerWaalsContact C-N 3.31Å; M399-R401 PolarHBondContact O-N 2.82Å; R401-R404 PolarHBondContact O-N 3.23Å; R401-K405 WeakPolarHBondContact O-CG 3.31Å; R401-K405 PolarHBondContact O-N 3.34Å
402	Q	86.1	Confident	83.7	Confident	122 Å²	122	123.3 Å²	123.3	57%	0.57	54%	0.544	S	S	*	.	H	α-helix	trans	-64	-42.7	175.2	-72.3	178.8	3.6	0	0	111.6	N398 M399 R404 K405 A406	N398-Q402 WeakPolarHBondContact O-CG 3.35Å; N398-Q402 PolarHBondContact O-N 3.4Å; M399-Q402 PolarHBondContact O-N 3.16Å; Q402-R404 PolarHBondContact O-N 3.03Å; Q402-K405 PolarHBondContact O-N 2.85Å; Q402-A406 WeakPolarHBondContact O-CB 3.37Å; Q402-A406 PolarHBondContact O-N 3.48Å
403	E	85.2	Confident	82.3	Confident	138 Å²	138	126.7 Å²	126.7	65%	0.645	55%	0.553	S	S	*	*	H	α-helix	trans	-61.7	-42.6	176	-171.4	-176.1	-175.6	0	0	111.8	M399 A406 R407	M399-E403 WeakPolarHBondContact O-CB 3.42Å; M399-E403 PolarHBondContact O-N 3.47Å; E403-A406 PolarHBondContact O-N 3.24Å; E403-R407 WeakPolarHBondContact O-CB 3.3Å; E403-R407 PolarHBondContact O-N 3.47Å
404	R	83.4	Confident	80.7	Confident	174 Å²	174	125.8 Å²	125.8	66%	0.657	56%	0.56	S	S	*	*	H	α-helix	trans	-60	-51.7	171.8	-73.5	174.1	-171.8	-175.8	1.3	111.3	R400 R401 Q402 A406 R407 D408	R400-R404 VanDerWaalsContact O-CG 3.28Å; R400-R404 WeakPolarHBondContact O-CG 3.48Å; R400-R404 PolarHBondContact O-N 2.9Å; R401-R404 PolarHBondContact O-N 3.23Å; Q402-R404 PolarHBondContact O-N 3.03Å; R404-A406 VanDerWaalsContact C-N 3.29Å; R404-A406 PolarHBondContact O-N 2.86Å; R404-R407 WeakPolarHBondContact O-CB 3.47Å; R404-R407 PolarHBondContact O-N 3.22Å; R404-R407 VanDerWaalsContact O-N 3.09Å; R404-D408 WeakPolarHBondContact O-CB 3.35Å; R404-D408 PolarHBondContact O-N 2.95Å
405	K	81.5	Confident	79	Confident	90 Å²	90	123.1 Å²	123.1	39%	0.391	55%	0.55	S	S	.	.	H	α-helix	trans	-56.7	-40.4	176.6	-74.1	-165.9	175.3	-142.7	0	112.2	R401 Q402 K409 D418	R401-K405 WeakPolarHBondContact O-CG 3.31Å; R401-K405 PolarHBondContact O-N 3.34Å; Q402-K405 PolarHBondContact O-N 2.85Å; K405-K409 WeakPolarHBondContact O-CB 3.37Å; K405-K409 VanDerWaalsContact O-CG 3.26Å; K405-K409 WeakPolarHBondContact O-CG 3.46Å; K405-K409 PolarHBondContact O-N 3.47Å; K405-D418 IonicContact NZ-OD1 3.26Å; K405-D418 PolarHBondContact NZ-OD1 2.99Å
406	A	83.6	Confident	77.5	Confident	54 Å²	54	123.2 Å²	123.2	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-68.8	-38.5	176.9	0	0	0	0	0	112.5	Q402 E403 R404 R410	Q402-A406 WeakPolarHBondContact O-CB 3.37Å; Q402-A406 PolarHBondContact O-N 3.48Å; E403-A406 PolarHBondContact O-N 3.24Å; R404-A406 VanDerWaalsContact C-N 3.29Å; R404-A406 PolarHBondContact O-N 2.86Å; A406-R410 WeakPolarHBondContact O-CB 3.35Å; A406-R410 PolarHBondContact O-N 3.42Å
407	R	82.3	Confident	75.8	Confident	170 Å²	170	123.7 Å²	123.7	64%	0.642	57%	0.57	S	S	*	*	H	α-helix	trans	-66.2	-42	174.1	-171.9	-177	-180	93.6	2.3	111.6	E403 R404 R410 L411	E403-R407 WeakPolarHBondContact O-CB 3.3Å; E403-R407 PolarHBondContact O-N 3.47Å; R404-R407 WeakPolarHBondContact O-CB 3.47Å; R404-R407 PolarHBondContact O-N 3.22Å; R404-R407 VanDerWaalsContact O-N 3.09Å; R407-R410 WeakPolarHBondContact O-CB 3.3Å; R407-R410 PolarHBondContact O-N 2.98Å; R407-L411 HydrophobicContact CG-CD1 3.91Å; R407-L411 HydrophobicContact CG-CG 4.48Å; R407-L411 WeakPolarHBondContact O-CB 3.33Å; R407-L411 WeakPolarHBondContact O-CG 3.45Å; R407-L411 PolarHBondContact O-N 3.49Å
408	D	74.6	Confident	74.1	Confident	37 Å²	37	123.5 Å²	123.5	20%	0.198	57%	0.571	C	S	.	*	H	α-helix	trans	-67.3	-40.9	179	-66.7	-33.7	0	0	0	111.3	R404 R410 L411 N412 R413 T415	R404-D408 WeakPolarHBondContact O-CB 3.35Å; R404-D408 PolarHBondContact O-N 2.95Å; D408-R410 PolarHBondContact O-N 3.41Å; D408-L411 PolarHBondContact O-N 3.33Å; D408-N412 PolarHBondContact O-N 3.06Å; D408-N412 VanDerWaalsContact O-N 3.14Å; D408-R413 PolarHBondContact O-N 2.96Å; D408-R413 VanDerWaalsContact O-N 3.16Å; D408-T415 HydrophobicContact CB-CG2 3.93Å; D408-T415 WeakPolarHBondContact OD2-CG2 3.4Å
409	K	77.5	Confident	72.3	Confident	161 Å²	161	126.9 Å²	126.9	70%	0.7	59%	0.588	S	S	*	*	H	α-helix	trans	-59	-41.7	168.5	-75.5	179	-179.2	-170	0	112.5	K405	K405-K409 WeakPolarHBondContact O-CB 3.37Å; K405-K409 VanDerWaalsContact O-CG 3.26Å; K405-K409 WeakPolarHBondContact O-CG 3.46Å; K405-K409 PolarHBondContact O-N 3.47Å
410	R	77.9	Confident	70.6	Confident	228 Å²	228	129.1 Å²	129.1	86%	0.86	60%	0.602	S	S	*	*	H	α-helix	trans	-67.7	-32.6	176.4	-91.1	-177.8	160.3	-173.5	-4.5	113.7	A406 R407 D408	A406-R410 WeakPolarHBondContact O-CB 3.35Å; A406-R410 PolarHBondContact O-N 3.42Å; R407-R410 WeakPolarHBondContact O-CB 3.3Å; R407-R410 PolarHBondContact O-N 2.98Å; D408-R410 PolarHBondContact O-N 3.41Å
411	L	76.8	Confident	68.8	Low	85 Å²	85	127.5 Å²	127.5	45%	0.445	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	3.5	-175.5	-67.6	175.6	0	0	0	113.5	R407 D408 R413	R407-L411 HydrophobicContact CG-CD1 3.91Å; R407-L411 HydrophobicContact CG-CG 4.48Å; R407-L411 WeakPolarHBondContact O-CB 3.33Å; R407-L411 WeakPolarHBondContact O-CG 3.45Å; R407-L411 PolarHBondContact O-N 3.49Å; D408-L411 PolarHBondContact O-N 3.33Å; L411-R413 HydrophobicContact CB-CG 4.07Å; L411-R413 PolarHBondContact O-N 2.75Å; L411-R413 VanDerWaalsContact O-N 3.08Å
412	N	62.9	Low	67	Low	149 Å²	149	125.1 Å²	125.1	80%	0.797	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.1	33.7	-171.1	-73.2	-14.6	0	0	0	112.7	D408	D408-N412 PolarHBondContact O-N 3.06Å; D408-N412 VanDerWaalsContact O-N 3.14Å
413	R	58	Low	65.4	Low	176 Å²	176	127.4 Å²	127.4	66%	0.664	62%	0.618	S	S	*	*			trans	-95.6	103.6	176	-72	-174.5	-176.2	-164.2	0.2	107.6	D408 L411 T415	D408-R413 PolarHBondContact O-N 2.96Å; D408-R413 VanDerWaalsContact O-N 3.16Å; L411-R413 HydrophobicContact CB-CG 4.07Å; L411-R413 PolarHBondContact O-N 2.75Å; L411-R413 VanDerWaalsContact O-N 3.08Å; R413-T415 PolarHBondContact O-N 3.27Å; R413-T415 VanDerWaalsContact O-N 3.07Å
414	I	54.6	Low	63.7	Low	160 Å²	160	124.2 Å²	124.2	82%	0.821	61%	0.609	S	S	*	*			trans	-59.5	112.9	173.5	-60.6	168.8	0	0	0	107.2
415	T	51.5	Low	61.9	Low	42 Å²	42	118.7 Å²	118.7	26%	0.258	59%	0.594	S	S	.	*			trans	-85.3	141.5	171.3	48.3	0	0	0	0	109.6	D408 R413 L417	D408-T415 HydrophobicContact CB-CG2 3.93Å; D408-T415 WeakPolarHBondContact OD2-CG2 3.4Å; R413-T415 PolarHBondContact O-N 3.27Å; R413-T415 VanDerWaalsContact O-N 3.07Å; T415-L417 PolarHBondContact O-N 2.91Å
416	V	55.9	Low	60.3	Low	126 Å²	126	122.2 Å²	122.2	76%	0.764	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	9.8	-175.7	176.6	0	0	0	0	113.7
417	L	55	Low	58.6	Low	129 Å²	129	128.8 Å²	128.8	68%	0.675	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	3.2	-170.1	-66.5	174.8	0	0	0	115	T415 L419	T415-L417 PolarHBondContact O-N 2.91Å; L417-L419 VanDerWaalsContact C-N 3.33Å
418	D	53.8	Low	56.7	Low	96 Å²	96	127.7 Å²	127.7	51%	0.513	63%	0.633	S	S	.	*			trans	-99.1	34.5	172.7	-73.7	-18.1	0	0	0	111.5	K405 D420	K405-D418 IonicContact NZ-OD1 3.26Å; K405-D418 PolarHBondContact NZ-OD1 2.99Å; D418-D420 PolarHBondContact O-N 3Å
419	L	51.9	Low	55.2	Low	140 Å²	140	132 Å²	132	73%	0.733	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	5.7	-179.4	-112.4	74.1	0	0	0	114.7	L417	L417-L419 VanDerWaalsContact C-N 3.33Å
420	D	53.5	Low	53.6	Low	145 Å²	145	132.6 Å²	132.6	78%	0.775	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	6	-170.3	-60.8	-24.3	0	0	0	114.1	D418 P422	D418-D420 PolarHBondContact O-N 3Å; D420-P422 VanDerWaalsContact O-CD 3.31Å; D420-P422 WeakPolarHBondContact O-CD 3.49Å
421	N	50.9	Low	51.9	Low	110 Å²	110	131.5 Å²	131.5	59%	0.588	65%	0.649	S	S	*	*			trans	-101.9	101.9	173.5	-100.7	11.7	0	0	0	111.2	E423 T424 V425	N421-E423 VanDerWaalsContact C-N 3.28Å; N421-E423 PolarHBondContact O-N 3.24Å; N421-T424 WeakPolarHBondContact CB-OG1 3.47Å; N421-T424 PolarHBondContact O-OG1 3.14Å; N421-V425 WeakPolarHBondContact O-CG2 3.12Å
422	P	50.6	Low	50.5	Low	96 Å²	96	136 Å²	136	62%	0.623	66%	0.662	S	S	*	*	H	α-helix	trans	-69.4	-18.3	-175.5	26.5	-34.1	0	0	0	114.3	D420 V425	D420-P422 VanDerWaalsContact O-CD 3.31Å; D420-P422 WeakPolarHBondContact O-CD 3.49Å; P422-V425 WeakPolarHBondContact O-CB 3.33Å
423	E	52.3	Low	50.1	Low	169 Å²	169	136.7 Å²	136.7	79%	0.79	66%	0.659	S	S	*	*	H	α-helix	trans	-85.9	-24.1	-176.9	-63.4	-169	162.4	0	0	114.1	N421 V425	N421-E423 VanDerWaalsContact C-N 3.28Å; N421-E423 PolarHBondContact O-N 3.24Å; E423-V425 PolarHBondContact O-N 3.4Å
424	T	49.6	Very low	50.7	Low	72 Å²	72	133.6 Å²	133.6	44%	0.442	66%	0.662	S	S	.	*	H	α-helix	trans	-74.2	-16.6	170	35.1	0	0	0	0	112.8	N421	N421-T424 WeakPolarHBondContact CB-OG1 3.47Å; N421-T424 PolarHBondContact O-OG1 3.14Å
425	V	46.3	Very low	51.6	Low	58 Å²	58	129.8 Å²	129.8	35%	0.352	66%	0.655	S	S	.	*	H	α-helix	trans	-68.3	-38	-175.6	178.7	0	0	0	0	111.1	N421 P422 E423 Y429	N421-V425 WeakPolarHBondContact O-CG2 3.12Å; P422-V425 WeakPolarHBondContact O-CB 3.33Å; E423-V425 PolarHBondContact O-N 3.4Å; V425-Y429 HydrophobicContact CG1-CE2 3.75Å; V425-Y429 WeakPolarHBondContact CG1-OH 3.49Å; V425-Y429 WeakPolarHBondContact O-CD2 3.49Å; V425-Y429 WeakPolarHBondContact O-CE2 3.28Å
426	Q	46.7	Very low	53.1	Low	163 Å²	163	131.3 Å²	131.3	76%	0.762	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-22.3	-174.2	-65.5	-176.4	18	0	0	115
427	K	48.1	Very low	54.5	Low	193 Å²	193	128.9 Å²	128.9	84%	0.839	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-2.8	-176.5	-68.6	-180	-179.2	172.2	0	114.5
428	Q	43.3	Very low	56	Low	147 Å²	147	129.7 Å²	129.7	69%	0.687	65%	0.646	S	S	*	*			trans	-112.1	5.1	-179.6	-70.3	-174.8	-11.6	0	0	114.8	H430	Q428-H430 PolarHBondContact O-N 3.45Å
429	Y	43.1	Very low	57.7	Low	127 Å²	127	133.5 Å²	133.5	50%	0.498	66%	0.658	S	S	.	*			trans	-69.4	16.2	172.2	-70.4	-65	0	0	0	114.8	V425 Y432	V425-Y429 HydrophobicContact CG1-CE2 3.75Å; V425-Y429 WeakPolarHBondContact CG1-OH 3.49Å; V425-Y429 WeakPolarHBondContact O-CD2 3.49Å; V425-Y429 WeakPolarHBondContact O-CE2 3.28Å; Y429-Y432 HydrophobicContact CD1-CE2 4.11Å
430	H	42.4	Very low	59.4	Low	173 Å²	173	132 Å²	132	80%	0.801	65%	0.648	S	S	*	*	S	Bend	trans	-123.8	69.1	177.4	-81.8	11.7	0	0	0	110.6	Q428	Q428-H430 PolarHBondContact O-N 3.45Å
431	Y	42.3	Very low	61.2	Low	205 Å²	205	130.1 Å²	130.1	80%	0.804	64%	0.637	S	S	*	*			trans	174.9	69.3	136.6	-94.6	-73.5	0	0	0	105.7	H433	Y431-H433 VanDerWaalsContact C-N 3.31Å; Y431-H433 PolarHBondContact O-N 3.2Å
432	Y	47.6	Very low	63	Low	181 Å²	181	130.6 Å²	130.6	71%	0.71	64%	0.635	S	S	*	*			trans	-56.4	108	154.2	-81.9	-87.7	0	0	0	105.3	Y429 P434	Y429-Y432 HydrophobicContact CD1-CE2 4.11Å; Y432-P434 WeakPolarHBondContact O-CD 3.26Å
433	H	54.2	Low	64.9	Low	162 Å²	162	133.2 Å²	133.2	75%	0.75	63%	0.633	S	S	*	*			trans	-59	112.2	156.8	-70.1	-59	0	0	0	104.3	Y431 A435	Y431-H433 VanDerWaalsContact C-N 3.31Å; Y431-H433 PolarHBondContact O-N 3.2Å; H433-A435 PolarHBondContact O-N 3.11Å
434	P	71.6	Confident	66.7	Low	111 Å²	111	130.9 Å²	130.9	72%	0.721	62%	0.62	S	S	*	*			trans	-52.1	134.4	174.4	21.8	-30.8	0	0	0	106.5	Y432 P436	Y432-P434 WeakPolarHBondContact O-CD 3.26Å; P434-P436 WeakPolarHBondContact O-CD 3.31Å
435	A	74.2	Confident	68.6	Low	80 Å²	80	130.3 Å²	130.3	66%	0.661	62%	0.619	S	S	*	*			trans	-42.5	119.4	179.3	0	0	0	0	0	107.4	H433 D437	H433-A435 PolarHBondContact O-N 3.11Å; A435-D437 PolarHBondContact O-N 3.4Å; A435-D437 VanDerWaalsContact O-N 3.17Å
436	P	81.4	Confident	70.5	Confident	75 Å²	75	130.2 Å²	130.2	49%	0.487	62%	0.617	S	S	.	*			trans	-50.5	131.7	-175.4	-27.3	33	0	0	0	108	P434 F438	P434-P436 WeakPolarHBondContact O-CD 3.31Å; P436-F438 VanDerWaalsContact C-N 3.27Å; P436-F438 WeakPolarHBondContact O-CD2 3.35Å; P436-F438 WeakPolarHBondContact O-CG 3.39Å; P436-F438 PolarHBondContact O-N 3.21Å
437	D	85.3	Confident	72.5	Confident	74 Å²	74	126.6 Å²	126.6	40%	0.396	60%	0.598	S	S	.	*			trans	-60.8	97	179.4	178.8	-5	0	0	0	108.1	A435 K439 Q440 L441	A435-D437 PolarHBondContact O-N 3.4Å; A435-D437 VanDerWaalsContact O-N 3.17Å; D437-K439 PolarHBondContact O-N 3.42Å; D437-K439 VanDerWaalsContact OD1-CB 3.29Å; D437-K439 WeakPolarHBondContact OD1-CB 3.49Å; D437-K439 PolarHBondContact OD1-N 3.06Å; D437-Q440 HydrophobicContact CB-CB 3.99Å; D437-Q440 HydrophobicContact CB-CG 4.19Å; D437-Q440 CarbonylContact O-C 3.56Å; D437-Q440 WeakPolarHBondContact O-CA 3.46Å; D437-Q440 WeakPolarHBondContact O-CB 3.34Å; D437-Q440 PolarHBondContact O-N 3.01Å; D437-Q440 PolarHBondContact OD1-N 3.42Å; D437-Q440 VanDerWaalsContact OD2-CD 3.29Å; D437-Q440 WeakPolarHBondContact OD2-CG 3.44Å; D437-Q440 PolarHBondContact OD2-NE2 3.05Å; D437-L441 PolarHBondContact O-N 2.92Å
438	F	87.8	Confident	74.3	Confident	147 Å²	147	121 Å²	121	65%	0.645	58%	0.58	S	S	*	*	H	α-helix	trans	-62.1	-26.3	-175.3	-66.1	-72.8	0	0	0	110.5	P436 H442	P436-F438 VanDerWaalsContact C-N 3.27Å; P436-F438 WeakPolarHBondContact O-CD2 3.35Å; P436-F438 WeakPolarHBondContact O-CG 3.39Å; P436-F438 PolarHBondContact O-N 3.21Å; F438-H442 WeakPolarHBondContact O-CB 3.19Å; F438-H442 PolarHBondContact O-N 3.48Å
439	K	88	Confident	76.3	Confident	176 Å²	176	118.6 Å²	118.6	77%	0.765	57%	0.572	S	S	*	*	H	α-helix	trans	-67.8	-45.3	173.1	-64.6	-177.2	176.3	179.1	0	110.5	D437 W443	D437-K439 PolarHBondContact O-N 3.42Å; D437-K439 VanDerWaalsContact OD1-CB 3.29Å; D437-K439 WeakPolarHBondContact OD1-CB 3.49Å; D437-K439 PolarHBondContact OD1-N 3.06Å; K439-W443 VanDerWaalsContact O-CB 3.26Å; K439-W443 WeakPolarHBondContact O-CB 3.3Å; K439-W443 PolarHBondContact O-N 3.14Å
440	Q	89	Confident	78.2	Confident	109 Å²	109	122.1 Å²	122.1	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-65.2	-41.4	174.3	-80.3	178.1	46.6	0	0	112.5	D437 W443 K444	D437-Q440 HydrophobicContact CB-CB 3.99Å; D437-Q440 HydrophobicContact CB-CG 4.19Å; D437-Q440 CarbonylContact O-C 3.56Å; D437-Q440 WeakPolarHBondContact O-CA 3.46Å; D437-Q440 WeakPolarHBondContact O-CB 3.34Å; D437-Q440 PolarHBondContact O-N 3.01Å; D437-Q440 PolarHBondContact OD1-N 3.42Å; D437-Q440 VanDerWaalsContact OD2-CD 3.29Å; D437-Q440 WeakPolarHBondContact OD2-CG 3.44Å; D437-Q440 PolarHBondContact OD2-NE2 3.05Å; Q440-W443 PolarHBondContact O-N 3.05Å; Q440-K444 WeakPolarHBondContact O-CB 3.44Å; Q440-K444 WeakPolarHBondContact O-CG 3.3Å; Q440-K444 PolarHBondContact O-N 3Å
441	L	90.3	Very high	80.1	Confident	104 Å²	104	123 Å²	123	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-65.2	-44.8	179.3	-149.3	84.6	0	0	0	110.8	D437 K444 S445	D437-L441 PolarHBondContact O-N 2.92Å; L441-K444 PolarHBondContact O-N 2.97Å; L441-S445 WeakPolarHBondContact O-CB 3.44Å; L441-S445 PolarHBondContact O-N 2.8Å
442	H	89.4	Confident	81.9	Confident	120 Å²	120	119.5 Å²	119.5	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-63	-40.1	173.7	-179	-119.7	0	0	0	111.6	F438 S445 N446	F438-H442 WeakPolarHBondContact O-CB 3.19Å; F438-H442 PolarHBondContact O-N 3.48Å; H442-S445 PolarHBondContact O-N 3.46Å; H442-N446 PolarHBondContact CE1-ND2 3.31Å; H442-N446 PolarHBondContact ND1-ND2 3.49Å; H442-N446 PolarHBondContact NE2-ND2 3.17Å; H442-N446 VanDerWaalsContact O-CB 3.28Å; H442-N446 WeakPolarHBondContact O-CB 3.47Å; H442-N446 PolarHBondContact O-N 2.92Å; H442-N446 PolarHBondContact O-ND2 3.03Å
443	W	90.1	Very high	83	Confident	152 Å²	152	118.9 Å²	118.9	58%	0.576	57%	0.572	S	S	*	*	H	α-helix	trans	-64.3	-44.9	174.5	-179	87.7	0	0	0	112.1	K439 Q440 N446 K447	K439-W443 VanDerWaalsContact O-CB 3.26Å; K439-W443 WeakPolarHBondContact O-CB 3.3Å; K439-W443 PolarHBondContact O-N 3.14Å; Q440-W443 PolarHBondContact O-N 3.05Å; W443-N446 PolarHBondContact O-N 3.12Å; W443-K447 HydrophobicContact CE3-CD 4.44Å; W443-K447 HydrophobicContact CH2-CD 3.64Å; W443-K447 HydrophobicContact CZ2-CD 3.98Å; W443-K447 HydrophobicContact CZ3-CD 3.87Å; W443-K447 WeakPolarHBondContact O-CB 3.21Å; W443-K447 PolarHBondContact O-N 2.79Å
444	K	91.2	Very high	83.8	Confident	119 Å²	119	119.6 Å²	119.6	52%	0.517	57%	0.572	S	S	.	*	H	α-helix	trans	-61.3	-45.9	174.8	-75	178.4	-178.3	176.9	0	110.6	Q440 L441 K447 T448	Q440-K444 WeakPolarHBondContact O-CB 3.44Å; Q440-K444 WeakPolarHBondContact O-CG 3.3Å; Q440-K444 PolarHBondContact O-N 3Å; L441-K444 PolarHBondContact O-N 2.97Å; K444-K447 PolarHBondContact O-N 3.21Å; K444-T448 PolarHBondContact O-N 2.94Å; K444-T448 PolarHBondContact O-OG1 3.28Å
445	S	89	Confident	83.7	Confident	60 Å²	60	118.6 Å²	118.6	42%	0.42	57%	0.566	S	S	.	*	H	α-helix	trans	-59.6	-50.8	176.3	-175.7	0	0	0	0	111.4	L441 H442 K447 T448 L449	L441-S445 WeakPolarHBondContact O-CB 3.44Å; L441-S445 PolarHBondContact O-N 2.8Å; H442-S445 PolarHBondContact O-N 3.46Å; S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 3.42Å; S445-T448 CarbonylContact O-C 3.56Å; S445-T448 WeakPolarHBondContact O-CB 3.24Å; S445-T448 PolarHBondContact O-N 3.48Å; S445-T448 VanDerWaalsContact O-N 3.12Å; S445-L449 WeakPolarHBondContact O-CB 3.4Å; S445-L449 WeakPolarHBondContact O-CG 3.43Å; S445-L449 PolarHBondContact O-N 3.07Å
446	N	86	Confident	83.4	Confident	56 Å²	56	119.2 Å²	119.2	30%	0.299	56%	0.563	S	S	.	*	H	α-helix	trans	-62.9	-34.5	176.3	-83.6	-28.7	0	0	0	112.9	H442 W443 L449 R450	H442-N446 PolarHBondContact CE1-ND2 3.31Å; H442-N446 PolarHBondContact ND1-ND2 3.49Å; H442-N446 PolarHBondContact NE2-ND2 3.17Å; H442-N446 VanDerWaalsContact O-CB 3.28Å; H442-N446 WeakPolarHBondContact O-CB 3.47Å; H442-N446 PolarHBondContact O-N 2.92Å; H442-N446 PolarHBondContact O-ND2 3.03Å; W443-N446 PolarHBondContact O-N 3.12Å; N446-L449 PolarHBondContact O-N 3.37Å; N446-R450 VanDerWaalsContact O-CB 3.3Å; N446-R450 WeakPolarHBondContact O-CB 3.5Å; N446-R450 WeakPolarHBondContact O-CG 3.43Å; N446-R450 PolarHBondContact O-N 2.9Å
447	K	87.4	Confident	82.7	Confident	87 Å²	87	121.1 Å²	121.1	38%	0.378	58%	0.575	S	S	.	*	H	α-helix	trans	-66.4	-41.7	174.1	-174.1	175.5	-177.8	175.5	0	111	W443 K444 S445 R450 R451	W443-K447 HydrophobicContact CE3-CD 4.44Å; W443-K447 HydrophobicContact CH2-CD 3.64Å; W443-K447 HydrophobicContact CZ2-CD 3.98Å; W443-K447 HydrophobicContact CZ3-CD 3.87Å; W443-K447 WeakPolarHBondContact O-CB 3.21Å; W443-K447 PolarHBondContact O-N 2.79Å; K444-K447 PolarHBondContact O-N 3.21Å; S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 3.42Å; K447-R450 PolarHBondContact O-N 2.89Å; K447-R451 WeakPolarHBondContact O-CG 3.43Å; K447-R451 PolarHBondContact O-N 3.5Å; K447-R451 VanDerWaalsContact O-N 3.12Å
448	T	87.8	Confident	81.9	Confident	76 Å²	76	124.8 Å²	124.8	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-66.2	-43.9	174.5	-51.2	0	0	0	0	111	K444 S445 R450 R451 L452	K444-T448 PolarHBondContact O-N 2.94Å; K444-T448 PolarHBondContact O-OG1 3.28Å; S445-T448 CarbonylContact O-C 3.56Å; S445-T448 WeakPolarHBondContact O-CB 3.24Å; S445-T448 PolarHBondContact O-N 3.48Å; S445-T448 VanDerWaalsContact O-N 3.12Å; T448-R450 PolarHBondContact O-N 3.45Å; T448-R451 WeakPolarHBondContact O-CB 3.4Å; T448-R451 PolarHBondContact O-N 2.9Å; T448-R451 VanDerWaalsContact O-N 3.14Å; T448-L452 HydrophobicContact CG2-CD1 4.26Å; T448-L452 WeakPolarHBondContact O-CG 3.28Å; T448-L452 PolarHBondContact O-N 2.87Å
449	L	84.9	Confident	81	Confident	96 Å²	96	122.1 Å²	122.1	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-42.6	174.6	-73.4	172.1	0	0	0	111.4	S445 N446 R451 L452 W453	S445-L449 WeakPolarHBondContact O-CB 3.4Å; S445-L449 WeakPolarHBondContact O-CG 3.43Å; S445-L449 PolarHBondContact O-N 3.07Å; N446-L449 PolarHBondContact O-N 3.37Å; L449-R451 PolarHBondContact O-N 3.23Å; L449-L452 CarbonylContact O-C 3.57Å; L449-L452 PolarHBondContact O-N 3.02Å; L449-L452 VanDerWaalsContact O-N 3.15Å; L449-W453 WeakPolarHBondContact O-CA 3.5Å; L449-W453 WeakPolarHBondContact O-CB 3.38Å; L449-W453 PolarHBondContact O-N 3.22Å
450	R	82.3	Confident	80.3	Confident	202 Å²	202	120.6 Å²	120.6	76%	0.762	59%	0.593	S	S	*	*	H	α-helix	trans	-64	-27.5	175.2	-76.2	173.7	-173.1	-92.2	1.1	113.3	N446 K447 T448	N446-R450 VanDerWaalsContact O-CB 3.3Å; N446-R450 WeakPolarHBondContact O-CB 3.5Å; N446-R450 WeakPolarHBondContact O-CG 3.43Å; N446-R450 PolarHBondContact O-N 2.9Å; K447-R450 PolarHBondContact O-N 2.89Å; T448-R450 PolarHBondContact O-N 3.45Å
451	R	81.4	Confident	79.4	Confident	191 Å²	191	124.7 Å²	124.7	72%	0.721	60%	0.604	S	S	*	*	H	α-helix	trans	-75.4	-37.1	172.8	-73.2	174.7	174.9	-179.8	-4.3	112.3	K447 T448 L449	K447-R451 WeakPolarHBondContact O-CG 3.43Å; K447-R451 PolarHBondContact O-N 3.5Å; K447-R451 VanDerWaalsContact O-N 3.12Å; T448-R451 WeakPolarHBondContact O-CB 3.4Å; T448-R451 PolarHBondContact O-N 2.9Å; T448-R451 VanDerWaalsContact O-N 3.14Å; L449-R451 PolarHBondContact O-N 3.23Å
452	L	80.9	Confident	78.6	Confident	131 Å²	131	125.9 Å²	125.9	69%	0.686	62%	0.618	S	S	*	*	H	α-helix	trans	-80.4	-29	178	-68.6	171.2	0	0	0	112.4	T448 L449 K454	T448-L452 HydrophobicContact CG2-CD1 4.26Å; T448-L452 WeakPolarHBondContact O-CG 3.28Å; T448-L452 PolarHBondContact O-N 2.87Å; L449-L452 CarbonylContact O-C 3.57Å; L449-L452 PolarHBondContact O-N 3.02Å; L449-L452 VanDerWaalsContact O-N 3.15Å; L452-K454 PolarHBondContact O-N 3.43Å
453	W	71.1	Confident	77.9	Confident	169 Å²	169	129.4 Å²	129.4	64%	0.64	63%	0.632	S	S	*	*			trans	-70.2	101.9	-179.4	-170.3	85.3	0	0	0	108.7	L449 P455	L449-W453 WeakPolarHBondContact O-CA 3.5Å; L449-W453 WeakPolarHBondContact O-CB 3.38Å; L449-W453 PolarHBondContact O-N 3.22Å; W453-P455 HydrophobicContact CH2-CB 3.89Å; W453-P455 HydrophobicContact CZ3-CB 3.97Å
454	K	70.7	Confident	77.3	Confident	176 Å²	176	127.5 Å²	127.5	77%	0.765	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-81	138.4	157.3	-60.1	-167.7	178.8	-173.7	0	106.7	L452	L452-K454 PolarHBondContact O-N 3.43Å
455	P	69.9	Low	76.7	Confident	90 Å²	90	129.2 Å²	129.2	58%	0.584	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-50.3	138.8	168.2	21.4	-30.5	0	0	0	108.2	W453	W453-P455 HydrophobicContact CH2-CB 3.89Å; W453-P455 HydrophobicContact CZ3-CB 3.97Å
456	P	67.6	Low	76	Confident	93 Å²	93	135.3 Å²	135.3	60%	0.604	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-46.4	132.1	175.1	-25.3	31.9	0	0	0	108.2	E458	P456-E458 PolarHBondContact O-N 2.91Å
457	P	67.1	Low	75.2	Confident	115 Å²	115	137.6 Å²	137.6	75%	0.747	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-49.9	134.4	175.7	20.6	-30.5	0	0	0	107.6	P459	P457-P459 VanDerWaalsContact O-N 3.09Å
458	E	68.4	Low	74.3	Confident	152 Å²	152	140.4 Å²	140.4	71%	0.71	69%	0.689	S	S	*	*			trans	-44.7	126.6	179.8	-78.8	-164.5	162.3	0	0	107.8	P456 T460	P456-E458 PolarHBondContact O-N 2.91Å; E458-T460 PolarHBondContact O-N 3.15Å; E458-T460 VanDerWaalsContact O-N 3.08Å
459	P	68.9	Low	73.2	Confident	91 Å²	91	141 Å²	141	59%	0.591	69%	0.692	S	S	*	*			trans	-50.8	126.2	-173.8	20.2	-32.3	0	0	0	108	P457 R461	P457-P459 VanDerWaalsContact O-N 3.09Å; P459-R461 VanDerWaalsContact C-N 3.35Å; P459-R461 WeakPolarHBondContact O-CG 3.33Å; P459-R461 PolarHBondContact O-N 3.39Å
460	T	73.1	Confident	72.1	Confident	144 Å²	144	140.5 Å²	140.5	88%	0.883	70%	0.697	S	S	*	*			trans	-50.4	98.4	-173.5	-54.9	0	0	0	0	109.4	E458	E458-T460 PolarHBondContact O-N 3.15Å; E458-T460 VanDerWaalsContact O-N 3.08Å
461	R	69.7	Low	71.1	Confident	194 Å²	194	136.3 Å²	136.3	73%	0.732	69%	0.686	S	S	*	*			trans	-72.1	128.8	177.6	-64.6	-170.1	-178.7	178.4	3.2	106.7	P459 K463	P459-R461 VanDerWaalsContact C-N 3.35Å; P459-R461 WeakPolarHBondContact O-CG 3.33Å; P459-R461 PolarHBondContact O-N 3.39Å; R461-K463 PolarHBondContact O-N 3.12Å
462	P	73.4	Confident	69.9	Low	130 Å²	130	136.6 Å²	136.6	84%	0.844	69%	0.687	S	S	*	*			trans	-61.9	105	175	24.7	-31.7	0	0	0	108.5	S464	P462-S464 PolarHBondContact O-N 3.45Å
463	K	75.8	Confident	68.7	Low	193 Å²	193	133.4 Å²	133.4	84%	0.839	68%	0.679	S	S	*	*			trans	-68.7	121.3	170.6	-171.3	173.7	-177.2	175.5	0	107	R461 F465	R461-K463 PolarHBondContact O-N 3.12Å; K463-F465 PolarHBondContact O-N 2.94Å
464	S	76.4	Confident	67.9	Low	113 Å²	113	131.5 Å²	131.5	79%	0.79	68%	0.682	S	S	*	*			trans	-57.3	115.3	175.3	56	0	0	0	0	109.1	P462	P462-S464 PolarHBondContact O-N 3.45Å
465	F	78.8	Confident	67.1	Low	155 Å²	155	126.1 Å²	126.1	68%	0.68	67%	0.666	S	S	*	*			trans	-87.3	141.6	168.4	65.1	-80.5	0	0	0	108.4	K463 L467	K463-F465 PolarHBondContact O-N 2.94Å; F465-L467 VanDerWaalsContact C-N 3.33Å; F465-L467 HydrophobicContact CD2-CB 3.96Å; F465-L467 HydrophobicContact CE2-CB 3.54Å; F465-L467 HydrophobicContact CE2-CD1 3.63Å; F465-L467 HydrophobicContact CE2-CG 4.03Å; F465-L467 HydrophobicContact CZ-CB 4.34Å; F465-L467 HydrophobicContact CZ-CD1 4.46Å; F465-L467 PolarHBondContact O-N 3.23Å
466	K	74.2	Confident	66.4	Low	187 Å²	187	126.3 Å²	126.3	81%	0.813	67%	0.666	S	S	*	*			trans	-73.9	92.3	170.5	-73.1	-178	178.9	-179.5	0	107.3	R468	K466-R468 PolarHBondContact O-N 2.87Å; K466-R468 VanDerWaalsContact O-N 3.09Å
467	L	69.8	Low	65.7	Low	104 Å²	104	127.6 Å²	127.6	55%	0.545	67%	0.667	S	S	.	*			trans	-65.6	107.4	172.9	-178.6	64.3	0	0	0	108.2	F465 T469	F465-L467 VanDerWaalsContact C-N 3.33Å; F465-L467 HydrophobicContact CD2-CB 3.96Å; F465-L467 HydrophobicContact CE2-CB 3.54Å; F465-L467 HydrophobicContact CE2-CD1 3.63Å; F465-L467 HydrophobicContact CE2-CG 4.03Å; F465-L467 HydrophobicContact CZ-CB 4.34Å; F465-L467 HydrophobicContact CZ-CD1 4.46Å; F465-L467 PolarHBondContact O-N 3.23Å; L467-T469 HydrophobicContact CD1-CG2 4.2Å; L467-T469 HydrophobicContact CD2-CG2 3.45Å; L467-T469 VanDerWaalsContact CD2-CG2 3.45Å; L467-T469 HydrophobicContact CG-CG2 3.55Å; L467-T469 PolarHBondContact O-N 2.91Å; L467-T469 PolarHBondContact O-OG1 3.45Å
468	R	68.4	Low	65	Low	147 Å²	147	132.7 Å²	132.7	56%	0.555	67%	0.672	S	S	*	*			trans	-76.9	54.3	178.2	-64.9	-93.8	178.1	111.1	2.8	110.5	K466 S470 E471	K466-R468 PolarHBondContact O-N 2.87Å; K466-R468 VanDerWaalsContact O-N 3.09Å; R468-S470 VanDerWaalsContact C-N 3.25Å; R468-S470 PolarHBondContact O-N 2.93Å; R468-E471 HydrophobicContact CB-CB 4.36Å; R468-E471 HydrophobicContact CB-CG 4.46Å; R468-E471 VanDerWaalsContact CD-CD 3.44Å; R468-E471 WeakPolarHBondContact CD-OE1 3.23Å; R468-E471 WeakPolarHBondContact CD-OE2 3.49Å; R468-E471 IonicContact CZ-OE1 2.75Å; R468-E471 IonicContact NE-OE1 2.87Å; R468-E471 IonicContact NH1-OE1 3.29Å; R468-E471 PolarHBondContact NH1-OE1 2.96Å; R468-E471 IonicContact NH1-OE2 3.95Å; R468-E471 PolarHBondContact O-N 3.49Å
469	T	64.4	Low	64.1	Low	87 Å²	87	134.2 Å²	134.2	53%	0.534	67%	0.671	S	S	.	*	H	α-helix	trans	-64.3	-30.3	177.2	32	0	0	0	0	112.2	L467 E471 R472 A473	L467-T469 HydrophobicContact CD1-CG2 4.2Å; L467-T469 HydrophobicContact CD2-CG2 3.45Å; L467-T469 VanDerWaalsContact CD2-CG2 3.45Å; L467-T469 HydrophobicContact CG-CG2 3.55Å; L467-T469 PolarHBondContact O-N 2.91Å; L467-T469 PolarHBondContact O-OG1 3.45Å; T469-E471 VanDerWaalsContact C-N 3.33Å; T469-E471 PolarHBondContact O-N 3.21Å; T469-R472 PolarHBondContact O-N 2.98Å; T469-A473 PolarHBondContact O-N 3.01Å
470	S	62	Low	63.3	Low	87 Å²	87	133 Å²	133	61%	0.608	66%	0.664	S	S	*	*	H	α-helix	trans	-65.4	-33.1	175.9	56.1	0	0	0	0	113.3	R468	R468-S470 VanDerWaalsContact C-N 3.25Å; R468-S470 PolarHBondContact O-N 2.93Å
471	E	61	Low	62.3	Low	113 Å²	113	130.5 Å²	130.5	53%	0.528	65%	0.653	S	S	.	*	H	α-helix	trans	-77.8	-22.7	178.5	-66.6	175.9	-172.4	0	0	112.1	R468 T469	R468-E471 HydrophobicContact CB-CB 4.36Å; R468-E471 HydrophobicContact CB-CG 4.46Å; R468-E471 VanDerWaalsContact CD-CD 3.44Å; R468-E471 WeakPolarHBondContact CD-OE1 3.23Å; R468-E471 WeakPolarHBondContact CD-OE2 3.49Å; R468-E471 IonicContact CZ-OE1 2.75Å; R468-E471 IonicContact NE-OE1 2.87Å; R468-E471 IonicContact NH1-OE1 3.29Å; R468-E471 PolarHBondContact NH1-OE1 2.96Å; R468-E471 IonicContact NH1-OE2 3.95Å; R468-E471 PolarHBondContact O-N 3.49Å; T469-E471 VanDerWaalsContact C-N 3.33Å; T469-E471 PolarHBondContact O-N 3.21Å
472	R	55.8	Low	61.3	Low	198 Å²	198	129.3 Å²	129.3	75%	0.747	66%	0.656	S	S	*	*	H	α-helix	trans	-79.2	-28	177.5	-96.3	-175.3	169	-174.3	-3.1	114	T469 N474 S475	T469-R472 PolarHBondContact O-N 2.98Å; R472-N474 PolarHBondContact O-N 3.5Å; R472-S475 PolarHBondContact O-N 3.44Å
473	A	56.5	Low	60.2	Low	64 Å²	64	129.6 Å²	129.6	53%	0.529	65%	0.649	S	S	.	*	H	α-helix	trans	-62.3	-32.1	178.9	0	0	0	0	0	112.3	T469 S475	T469-A473 PolarHBondContact O-N 3.01Å; A473-S475 VanDerWaalsContact C-N 3.31Å; A473-S475 PolarHBondContact O-N 3.35Å
474	N	54.2	Low	58.9	Low	129 Å²	129	125 Å²	125	69%	0.69	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-3.4	-177.6	-61.1	-13.6	0	0	0	114.1	R472	R472-N474 PolarHBondContact O-N 3.5Å
475	S	54.4	Low	57.7	Low	62 Å²	62	129 Å²	129	43%	0.434	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.3	-17.8	178.3	169.2	0	0	0	0	113.1	R472 A473	R472-S475 PolarHBondContact O-N 3.44Å; A473-S475 VanDerWaalsContact C-N 3.31Å; A473-S475 PolarHBondContact O-N 3.35Å
476	V	54.4	Low	56.3	Low	95 Å²	95	127 Å²	127	58%	0.576	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-33.6	-174.3	-176.9	0	0	0	0	110.8	R478 R479 S480	V476-R478 PolarHBondContact O-N 3.49Å; V476-R479 PolarHBondContact O-N 3.1Å; V476-S480 PolarHBondContact O-N 3.05Å; V476-S480 PolarHBondContact O-OG 2.87Å
477	D	52.5	Low	54.7	Low	120 Å²	120	127.9 Å²	127.9	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-66.2	-22	175.7	-87.6	-21.3	0	0	0	114.2	S481	D477-S481 PolarHBondContact O-OG 3.42Å
478	R	52.1	Low	53.3	Low	221 Å²	221	132.4 Å²	132.4	83%	0.834	66%	0.663	S	S	*	*	H	α-helix	trans	-78.4	-18.4	178.6	-123.4	178.6	-175.7	167.3	0.9	114.5	V476	V476-R478 PolarHBondContact O-N 3.49Å
479	R	50.1	Low	52.1	Low	184 Å²	184	133.3 Å²	133.3	69%	0.694	68%	0.676	S	S	*	*	H	α-helix	trans	-101.1	-18.4	174.6	-72.1	-174.7	-135.4	-144.1	0.2	113	V476 S481	V476-R479 PolarHBondContact O-N 3.1Å; R479-S481 VanDerWaalsContact C-N 3.32Å
480	S	51.8	Low	51	Low	65 Å²	65	135.9 Å²	135.9	46%	0.455	69%	0.686	S	S	.	*	H	α-helix	trans	-76.6	-15.5	177.7	-57.1	0	0	0	0	113.7	V476	V476-S480 PolarHBondContact O-N 3.05Å; V476-S480 PolarHBondContact O-OG 2.87Å
481	S	52.4	Low	49.9	Very low	92 Å²	92	140 Å²	140	64%	0.643	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-11.6	177	-52.6	0	0	0	0	115	D477 R479	D477-S481 PolarHBondContact O-OG 3.42Å; R479-S481 VanDerWaalsContact C-N 3.32Å
482	E	49.1	Very low	48.8	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-14.6	-179.8	-77.1	178.3	164.1	0	0	113.9
483	I	50.9	Low	47.9	Very low	136 Å²	136	138.3 Å²	138.3	70%	0.697	71%	0.71	S	S	*	*	S	Bend	trans	-104	-5.5	-175.2	-59.3	167.3	0	0	0	112.1	K485	I483-K485 VanDerWaalsContact C-N 3.31Å; I483-K485 PolarHBondContact O-N 3.12Å
484	S	48.4	Very low	47.1	Very low	95 Å²	95	140.3 Å²	140.3	66%	0.664	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	9.8	-173.5	60.8	0	0	0	0	116.2
485	K	49.9	Very low	46.2	Very low	198 Å²	198	142.4 Å²	142.4	86%	0.861	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	2.3	-179.8	-73	-172.7	-179.8	177.5	0	115.6	I483	I483-K485 VanDerWaalsContact C-N 3.31Å; I483-K485 PolarHBondContact O-N 3.12Å
486	V	49.5	Very low	45.5	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.685	73%	0.733	S	S	*	*	S	Bend	trans	-137.2	117	-177.8	-177.3	0	0	0	0	110.5
487	K	41.4	Very low	44.8	Very low	205 Å²	205	145.3 Å²	145.3	89%	0.891	74%	0.739	S	S	*	*			trans	93.2	98.7	166.8	-67.2	163.3	179.6	-176.2	0	117.8
488	K	39.9	Very low	44.2	Very low	200 Å²	200	146.1 Å²	146.1	87%	0.87	75%	0.747	S	S	*	*			trans	-88.3	153.6	145.5	-73	-176.7	175.3	-179.1	0	109.1
489	M	43.6	Very low	43.8	Very low	165 Å²	165	143.5 Å²	143.5	81%	0.813	74%	0.742	S	S	*	*			trans	107.8	94.2	165.9	-57.8	-143.5	149.5	0	0	116.7
490	D	42.1	Very low	43.2	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	75%	0.746	S	S	*	*				96.8	106.8	121.6	-57.4	-12.5	0	0	0	119.5
491	E	37.3	Very low	43	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	76%	0.764	S	S	*	*			trans	-50.1	138.9	160.4	-59.4	173.9	153	0	0	111.4
492	N	38.9	Very low	42.4	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	77%	0.768	S	S	*	*				157.5	147.5	125.2	-77	-38.9	0	0	0	109.6
493	T	36.8	Very low	42.1	Very low	132 Å²	132	145.8 Å²	145.8	81%	0.81	77%	0.766	S	S	*	*			trans	103.3	92.5	161	-39.4	0	0	0	0	115.2
494	S	39.6	Very low	41.6	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	77%	0.768	S	S	*	*			trans	-25.3	134.1	145.4	-49	0	0	0	0	113.3
495	Q	34.8	Very low	41.3	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	78%	0.782	S	S	*	*			trans	137.2	110.7	159	-65.8	-116.7	8.7	0	0	109.7
496	S	39.3	Very low	40.9	Very low	84 Å²	84	143.4 Å²	143.4	59%	0.587	78%	0.776	S	S	*	*			trans	-155.2	97.1	166.1	-161.3	0	0	0	0	105.7
497	I	40.8	Very low	41.2	Very low	134 Å²	134	145.7 Å²	145.7	69%	0.687	78%	0.784	S	S	*	*				35.4	107.8	66.8	-67.1	174.8	0	0	0	110.5	K499	I497-K499 PolarHBondContact O-N 3Å; I497-K499 VanDerWaalsContact O-N 3.08Å
498	V	39.8	Very low	42	Very low	136 Å²	136	141 Å²	141	82%	0.824	77%	0.774	S	S	*	*			trans	-10.6	101	153.2	-175.6	0	0	0	0	112
499	K	43.2	Very low	43	Very low	167 Å²	167	137 Å²	137	73%	0.726	77%	0.769	S	S	*	*			trans	-115.7	103.5	165.3	-75.7	-178.5	-177.6	177.1	0	107.4	I497	I497-K499 PolarHBondContact O-N 3Å; I497-K499 VanDerWaalsContact O-N 3.08Å
500	Q	38.4	Very low	44.1	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	77%	0.771	S	S	*	*			trans	-58.5	135.8	160.7	-67.2	-173.3	-37.6	0	0	108.8	V502	Q500-V502 PolarHBondContact O-N 3.39Å
501	P	47.3	Very low	45.4	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	76%	0.76	S	S	*	*			trans	-82.2	107.4	158.9	29.7	-23.3	0	0	0	107.9
502	V	39.8	Very low	47.6	Very low	120 Å²	120	127.3 Å²	127.3	73%	0.727	75%	0.745	S	S	*	*			trans	-68.1	117.6	151.2	179.5	0	0	0	0	105.5	Q500	Q500-V502 PolarHBondContact O-N 3.39Å
503	L	43.2	Very low	49.7	Very low	147 Å²	147	130.2 Å²	130.2	77%	0.77	75%	0.745	S	S	*	*			trans	157.8	126.6	140.8	-82.2	160.3	0	0	0	112.2
504	D	39.7	Very low	51.8	Low	136 Å²	136	127.7 Å²	127.7	73%	0.727	73%	0.733	S	S	*	*			trans	67.8	97.4	151.8	-62.6	-15.2	0	0	0	121.7	S506	D504-S506 PolarHBondContact O-N 2.9Å; D504-S506 VanDerWaalsContact O-N 3.15Å
505	S	41.4	Very low	54	Low	138 Å²	138	125.4 Å²	125.4	97%	0.965	72%	0.715	S	S	*	*			trans	39.3	63.6	133.3	-141.7	0	0	0	0	116.8
506	S	41.3	Very low	56.4	Low	105 Å²	105	122 Å²	122	73%	0.734	70%	0.697	S	S	*	*			trans	-134.4	116.1	166.6	129.3	0	0	0	0	107.4	D504	D504-S506 PolarHBondContact O-N 2.9Å; D504-S506 VanDerWaalsContact O-N 3.15Å
507	L	57.5	Low	58.7	Low	161 Å²	161	122.8 Å²	122.8	84%	0.843	70%	0.695	S	S	*	*			trans	-40.1	131.5	173.5	-74.9	150.5	0	0	0	109.9
508	P	57.7	Low	61	Low	106 Å²	106	124.6 Å²	124.6	69%	0.688	69%	0.693	S	S	*	*			trans	-56.2	145.2	175.8	24.9	-31.9	0	0	0	108.5	A510	P508-A510 PolarHBondContact O-N 3Å; P508-A510 VanDerWaalsContact O-N 3.11Å
509	P	60.7	Low	63.3	Low	117 Å²	117	121.5 Å²	121.5	76%	0.76	67%	0.669	S	S	*	*			trans	-51.8	126.4	179.6	-20	29.1	0	0	0	108.9	L511	P509-L511 PolarHBondContact O-N 2.93Å
510	A	65.9	Low	65.5	Low	105 Å²	105	115.7 Å²	115.7	87%	0.868	65%	0.646	S	S	*	*			trans	-50.5	112.9	-177.8	0	0	0	0	0	109.5	P508 S512	P508-A510 PolarHBondContact O-N 3Å; P508-A510 VanDerWaalsContact O-N 3.11Å; A510-S512 PolarHBondContact O-N 2.68Å
511	L	71	Confident	68	Low	99 Å²	99	116 Å²	116	52%	0.518	64%	0.641	S	S	.	*			trans	-61.7	127.7	-179.4	-70.7	167.9	0	0	0	108.3	P509 R513 T515	P509-L511 PolarHBondContact O-N 2.93Å; L511-R513 PolarHBondContact O-N 3Å; L511-T515 HydrophobicContact CD2-CG2 3.98Å
512	S	82.6	Confident	70	Confident	70 Å²	70	113 Å²	113	49%	0.49	62%	0.618	S	S	.	*			trans	-51.8	141.5	169.6	177.1	0	0	0	0	109.6	A510 S514 T515 F516	A510-S512 PolarHBondContact O-N 2.68Å; S512-S514 PolarHBondContact O-N 3.15Å; S512-S514 PolarHBondContact OG-OG 3.41Å; S512-S514 VanDerWaalsContact OG-OG 3.13Å; S512-T515 WeakPolarHBondContact O-CA 3.49Å; S512-T515 WeakPolarHBondContact O-CB 3.46Å; S512-T515 PolarHBondContact O-N 2.58Å; S512-F516 PolarHBondContact O-N 3.06Å
513	R	83.5	Confident	72.5	Confident	205 Å²	205	113 Å²	113	77%	0.774	61%	0.605	S	S	*	*	H	α-helix	trans	-52.6	-33.8	-178.1	-176.7	164.2	175.7	-163.9	-2.4	112.6	L511 F516 L517	L511-R513 PolarHBondContact O-N 3Å; R513-F516 PolarHBondContact O-N 2.9Å; R513-L517 HydrophobicContact CG-CD1 4.35Å; R513-L517 VanDerWaalsContact O-CG 3.32Å; R513-L517 WeakPolarHBondContact O-CG 3.39Å; R513-L517 PolarHBondContact O-N 2.91Å
514	S	79.8	Confident	74.8	Confident	79 Å²	79	111 Å²	111	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-63.2	-41.3	173.7	56.1	0	0	0	0	112.8	S512 R518	S512-S514 PolarHBondContact O-N 3.15Å; S512-S514 PolarHBondContact OG-OG 3.41Å; S512-S514 VanDerWaalsContact OG-OG 3.13Å; S514-R518 WeakPolarHBondContact O-CB 3.47Å; S514-R518 PolarHBondContact O-N 3.3Å
515	T	86.2	Confident	77.2	Confident	59 Å²	59	107.5 Å²	107.5	36%	0.362	58%	0.581	S	S	.	*	H	α-helix	trans	-68.5	-43.4	178.9	-40.7	0	0	0	0	110.3	L511 S512 L517 R518 E519	L511-T515 HydrophobicContact CD2-CG2 3.98Å; S512-T515 WeakPolarHBondContact O-CA 3.49Å; S512-T515 WeakPolarHBondContact O-CB 3.46Å; S512-T515 PolarHBondContact O-N 2.58Å; T515-L517 PolarHBondContact O-N 3.34Å; T515-R518 PolarHBondContact O-N 2.83Å; T515-E519 WeakPolarHBondContact O-CB 3.49Å; T515-E519 PolarHBondContact O-N 3.46Å
516	F	84.8	Confident	79.8	Confident	101 Å²	101	105.7 Å²	105.7	44%	0.443	56%	0.56	S	S	.	*	H	α-helix	trans	-59.8	-45.9	175.1	-179.3	-96.2	0	0	0	112.4	S512 R513 E519 N520	S512-F516 PolarHBondContact O-N 3.06Å; R513-F516 PolarHBondContact O-N 2.9Å; F516-E519 PolarHBondContact O-N 2.9Å; F516-N520 WeakPolarHBondContact CE1-ND2 3.44Å; F516-N520 WeakPolarHBondContact CZ-ND2 3.46Å; F516-N520 WeakPolarHBondContact O-CB 3.48Å; F516-N520 PolarHBondContact O-N 3.3Å
517	L	89	Confident	82.2	Confident	102 Å²	102	103.5 Å²	103.5	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-42.3	177.2	-72.1	174.1	0	0	0	112	R513 T515 E519 N520 Y521	R513-L517 HydrophobicContact CG-CD1 4.35Å; R513-L517 VanDerWaalsContact O-CG 3.32Å; R513-L517 WeakPolarHBondContact O-CG 3.39Å; R513-L517 PolarHBondContact O-N 2.91Å; T515-L517 PolarHBondContact O-N 3.34Å; L517-E519 VanDerWaalsContact C-N 3.34Å; L517-N520 PolarHBondContact O-N 2.88Å; L517-Y521 WeakPolarHBondContact O-CB 3.35Å; L517-Y521 PolarHBondContact O-N 3.15Å
518	R	88.5	Confident	83.7	Confident	172 Å²	172	102.5 Å²	102.5	65%	0.649	54%	0.537	S	S	*	.	H	α-helix	trans	-61.2	-44.3	175.4	-178.3	179.1	179.1	-85.7	-0.5	111.3	S514 T515 Y521 I522	S514-R518 WeakPolarHBondContact O-CB 3.47Å; S514-R518 PolarHBondContact O-N 3.3Å; T515-R518 PolarHBondContact O-N 2.83Å; R518-Y521 PolarHBondContact O-N 3.28Å; R518-I522 HydrophobicContact CG-CD1 3.96Å; R518-I522 VanDerWaalsContact O-CG1 3.24Å; R518-I522 WeakPolarHBondContact O-CG1 3.19Å; R518-I522 PolarHBondContact O-N 3.04Å
519	E	88.1	Confident	85.4	Confident	70 Å²	70	99.9 Å²	99.9	33%	0.327	52%	0.524	S	S	.	.	H	α-helix	trans	-68.2	-40.5	-179.8	-157.8	-169.8	136.1	0	0	111.9	T515 F516 L517 I522 R523	T515-E519 WeakPolarHBondContact O-CB 3.49Å; T515-E519 PolarHBondContact O-N 3.46Å; F516-E519 PolarHBondContact O-N 2.9Å; L517-E519 VanDerWaalsContact C-N 3.34Å; E519-I522 PolarHBondContact O-N 2.96Å; E519-R523 WeakPolarHBondContact O-CB 3.42Å; E519-R523 PolarHBondContact O-N 3.33Å; E519-R523 IonicContact OE1-CZ 3.63Å; E519-R523 IonicContact OE1-NE 3.74Å; E519-R523 PolarHBondContact OE1-NE 2.88Å; E519-R523 IonicContact OE1-NH2 3.19Å; E519-R523 PolarHBondContact OE1-NH2 3.29Å
520	N	89.3	Confident	87	Confident	46 Å²	46	99.1 Å²	99.1	25%	0.246	51%	0.514	C	S	.	.	H	α-helix	trans	-61.1	-43.7	172.1	-110.8	-59.7	0	0	0	111.9	F516 L517 I522 R523 N524	F516-N520 WeakPolarHBondContact CE1-ND2 3.44Å; F516-N520 WeakPolarHBondContact CZ-ND2 3.46Å; F516-N520 WeakPolarHBondContact O-CB 3.48Å; F516-N520 PolarHBondContact O-N 3.3Å; L517-N520 PolarHBondContact O-N 2.88Å; N520-I522 VanDerWaalsContact C-N 3.34Å; N520-I522 PolarHBondContact O-N 3.39Å; N520-R523 PolarHBondContact O-N 2.93Å; N520-N524 WeakPolarHBondContact O-CB 3.37Å; N520-N524 VanDerWaalsContact O-CG 3.3Å; N520-N524 PolarHBondContact O-N 2.88Å
521	Y	90.9	Very high	88.1	Confident	171 Å²	171	98.4 Å²	98.4	67%	0.671	50%	0.495	S	S	*	.	H	α-helix	trans	-61	-43.6	175.4	-178.6	-92.3	0	0	0	111.6	L517 R518 N524 S525	L517-Y521 WeakPolarHBondContact O-CB 3.35Å; L517-Y521 PolarHBondContact O-N 3.15Å; R518-Y521 PolarHBondContact O-N 3.28Å; Y521-N524 PolarHBondContact O-N 3.32Å; Y521-S525 VanDerWaalsContact O-CB 3.24Å; Y521-S525 WeakPolarHBondContact O-CB 3.31Å; Y521-S525 PolarHBondContact O-N 3.1Å
522	I	90.4	Very high	88.9	Confident	63 Å²	63	97 Å²	97	32%	0.323	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.4	-68.6	165.4	0	0	0	110.8	R518 E519 N520 N524 S525 L526	R518-I522 HydrophobicContact CG-CD1 3.96Å; R518-I522 VanDerWaalsContact O-CG1 3.24Å; R518-I522 WeakPolarHBondContact O-CG1 3.19Å; R518-I522 PolarHBondContact O-N 3.04Å; E519-I522 PolarHBondContact O-N 2.96Å; N520-I522 VanDerWaalsContact C-N 3.34Å; N520-I522 PolarHBondContact O-N 3.39Å; I522-N524 PolarHBondContact O-N 2.93Å; I522-S525 PolarHBondContact O-N 2.99Å; I522-L526 HydrophobicContact CG2-CD1 4.01Å; I522-L526 HydrophobicContact CG2-CG 4.42Å; I522-L526 WeakPolarHBondContact O-CG 3.31Å; I522-L526 PolarHBondContact O-N 3.41Å
523	R	91.6	Very high	89.5	Confident	120 Å²	120	96.3 Å²	96.3	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-59.6	-47.2	176.9	-79.4	-170.1	-115.3	148.9	-6.9	112.1	E519 N520 S525 L526 A527	E519-R523 WeakPolarHBondContact O-CB 3.42Å; E519-R523 PolarHBondContact O-N 3.33Å; E519-R523 IonicContact OE1-CZ 3.63Å; E519-R523 IonicContact OE1-NE 3.74Å; E519-R523 PolarHBondContact OE1-NE 2.88Å; E519-R523 IonicContact OE1-NH2 3.19Å; E519-R523 PolarHBondContact OE1-NH2 3.29Å; N520-R523 PolarHBondContact O-N 2.93Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 2.95Å; R523-L526 PolarHBondContact O-N 2.94Å; R523-A527 WeakPolarHBondContact O-CB 3.32Å; R523-A527 PolarHBondContact O-N 2.88Å
524	N	90.8	Very high	89.9	Confident	106 Å²	106	93.1 Å²	93.1	57%	0.567	48%	0.478	S	S	*	.	H	α-helix	trans	-64.9	-38.1	177.9	-72.5	-15.1	0	0	0	112	N520 Y521 I522 K528	N520-N524 WeakPolarHBondContact O-CB 3.37Å; N520-N524 VanDerWaalsContact O-CG 3.3Å; N520-N524 PolarHBondContact O-N 2.88Å; Y521-N524 PolarHBondContact O-N 3.32Å; I522-N524 PolarHBondContact O-N 2.93Å; N524-K528 WeakPolarHBondContact O-CB 3.29Å; N524-K528 PolarHBondContact O-N 3.42Å
525	S	91.2	Very high	90.3	Very high	62 Å²	62	94.6 Å²	94.6	43%	0.434	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-42.2	175.7	-175	0	0	0	0	112	Y521 I522 R523 K528 A529	Y521-S525 VanDerWaalsContact O-CB 3.24Å; Y521-S525 WeakPolarHBondContact O-CB 3.31Å; Y521-S525 PolarHBondContact O-N 3.1Å; I522-S525 PolarHBondContact O-N 2.99Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 2.95Å; S525-K528 PolarHBondContact O-N 3.29Å; S525-A529 WeakPolarHBondContact O-CB 3.4Å; S525-A529 PolarHBondContact O-N 3.38Å
526	L	94.8	Very high	90.5	Very high	101 Å²	101	98.7 Å²	98.7	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-46.3	176.5	-71.4	174.3	0	0	0	111.1	I522 R523 K528 A529 D530	I522-L526 HydrophobicContact CG2-CD1 4.01Å; I522-L526 HydrophobicContact CG2-CG 4.42Å; I522-L526 WeakPolarHBondContact O-CG 3.31Å; I522-L526 PolarHBondContact O-N 3.41Å; R523-L526 PolarHBondContact O-N 2.94Å; L526-K528 VanDerWaalsContact C-N 3.27Å; L526-K528 PolarHBondContact O-N 3.19Å; L526-A529 WeakPolarHBondContact O-CB 3.11Å; L526-A529 PolarHBondContact O-N 2.95Å; L526-A529 VanDerWaalsContact O-N 3.09Å; L526-D530 PolarHBondContact O-N 3.23Å
527	A	92.3	Very high	90.8	Very high	58 Å²	58	100.6 Å²	100.6	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-38.2	176.3	0	0	0	0	0	112.4	R523 L531	R523-A527 WeakPolarHBondContact O-CB 3.32Å; R523-A527 PolarHBondContact O-N 2.88Å; A527-L531 WeakPolarHBondContact O-CB 3.48Å; A527-L531 PolarHBondContact O-N 3.49Å; A527-L531 VanDerWaalsContact O-N 3.08Å
528	K	89.3	Confident	90.8	Very high	141 Å²	141	101.5 Å²	101.5	61%	0.613	50%	0.499	S	S	*	.	H	α-helix	trans	-67.1	-43.6	174	-173.8	178.3	178.5	-178.4	0	112	N524 S525 L526 D530 L531 D532	N524-K528 WeakPolarHBondContact O-CB 3.29Å; N524-K528 PolarHBondContact O-N 3.42Å; S525-K528 PolarHBondContact O-N 3.29Å; L526-K528 VanDerWaalsContact C-N 3.27Å; L526-K528 PolarHBondContact O-N 3.19Å; K528-D530 VanDerWaalsContact C-N 3.34Å; K528-D530 PolarHBondContact O-N 2.85Å; K528-L531 PolarHBondContact O-N 2.99Å; K528-D532 PolarHBondContact O-N 3.02Å
529	A	93.3	Very high	90.6	Very high	50 Å²	50	97.5 Å²	97.5	41%	0.413	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-40.7	177	0	0	0	0	0	112	S525 L526 D532 A533	S525-A529 WeakPolarHBondContact O-CB 3.4Å; S525-A529 PolarHBondContact O-N 3.38Å; L526-A529 WeakPolarHBondContact O-CB 3.11Å; L526-A529 PolarHBondContact O-N 2.95Å; L526-A529 VanDerWaalsContact O-N 3.09Å; A529-D532 PolarHBondContact O-N 3.38Å; A529-A533 WeakPolarHBondContact O-CB 3.44Å; A529-A533 PolarHBondContact O-N 2.95Å
530	D	92.9	Very high	90.7	Very high	102 Å²	102	99.4 Å²	99.4	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-41	175.6	-72.1	-16	0	0	0	112	L526 K528 A533 K534	L526-D530 PolarHBondContact O-N 3.23Å; K528-D530 VanDerWaalsContact C-N 3.34Å; K528-D530 PolarHBondContact O-N 2.85Å; D530-A533 PolarHBondContact O-N 3.38Å; D530-K534 WeakPolarHBondContact O-CG 3.39Å; D530-K534 PolarHBondContact O-N 3.46Å
531	L	90.7	Very high	90.8	Very high	90 Å²	90	104.5 Å²	104.5	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.5	-159.7	168.6	0	0	0	110.9	A527 K528 K534 K535	A527-L531 WeakPolarHBondContact O-CB 3.48Å; A527-L531 PolarHBondContact O-N 3.49Å; A527-L531 VanDerWaalsContact O-N 3.08Å; K528-L531 PolarHBondContact O-N 2.99Å; L531-K534 PolarHBondContact O-N 3.09Å; L531-K535 HydrophobicContact CD2-CD 3.71Å; L531-K535 HydrophobicContact CD2-CG 4.14Å; L531-K535 WeakPolarHBondContact O-CG 3.1Å; L531-K535 PolarHBondContact O-N 3.48Å
532	D	87.9	Confident	90.7	Very high	70 Å²	70	101.1 Å²	101.1	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-34.3	176.7	-72	-19.3	0	0	0	112.2	K528 A529 K536	K528-D532 PolarHBondContact O-N 3.02Å; A529-D532 PolarHBondContact O-N 3.38Å; D532-K536 WeakPolarHBondContact O-CG 3.44Å; D532-K536 PolarHBondContact O-N 2.88Å
533	A	93.4	Very high	90.6	Very high	54 Å²	54	105.5 Å²	105.5	45%	0.446	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-46.2	173.4	0	0	0	0	0	111.7	A529 D530 K535 K536 E537	A529-A533 WeakPolarHBondContact O-CB 3.44Å; A529-A533 PolarHBondContact O-N 2.95Å; D530-A533 PolarHBondContact O-N 3.38Å; A533-K535 PolarHBondContact O-N 3.02Å; A533-K536 PolarHBondContact O-N 3.1Å; A533-E537 PolarHBondContact O-N 3.31Å
534	K	92.3	Very high	90.6	Very high	138 Å²	138	107.4 Å²	107.4	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-58.9	-44.1	174.5	-76.2	-177.5	177.4	-177.6	0	112.2	D530 L531 K536 E537 E538	D530-K534 WeakPolarHBondContact O-CG 3.39Å; D530-K534 PolarHBondContact O-N 3.46Å; L531-K534 PolarHBondContact O-N 3.09Å; K534-K536 VanDerWaalsContact C-N 3.34Å; K534-K536 PolarHBondContact O-N 2.83Å; K534-E537 PolarHBondContact O-N 2.99Å; K534-E538 WeakPolarHBondContact O-CG 3.3Å; K534-E538 PolarHBondContact O-N 3.25Å
535	K	88.6	Confident	90.5	Very high	111 Å²	111	105 Å²	105	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-41.5	175	-78	175.9	173.4	169.5	0	112.4	L531 A533 E538 T539	L531-K535 HydrophobicContact CD2-CD 3.71Å; L531-K535 HydrophobicContact CD2-CG 4.14Å; L531-K535 WeakPolarHBondContact O-CG 3.1Å; L531-K535 PolarHBondContact O-N 3.48Å; A533-K535 PolarHBondContact O-N 3.02Å; K535-E538 PolarHBondContact O-N 3.21Å; K535-T539 VanDerWaalsContact O-CG2 3.28Å; K535-T539 WeakPolarHBondContact O-CG2 3.44Å; K535-T539 PolarHBondContact O-N 3.27Å; K535-T539 PolarHBondContact O-OG1 3.16Å
536	K	89.7	Confident	90.2	Very high	145 Å²	145	108.7 Å²	108.7	63%	0.63	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-46.1	175.9	-75.5	175.6	-178.1	178	0	111.1	D532 A533 K534 E538 T539 E540	D532-K536 WeakPolarHBondContact O-CG 3.44Å; D532-K536 PolarHBondContact O-N 2.88Å; A533-K536 PolarHBondContact O-N 3.1Å; K534-K536 VanDerWaalsContact C-N 3.34Å; K534-K536 PolarHBondContact O-N 2.83Å; K536-E538 PolarHBondContact O-N 3.06Å; K536-T539 WeakPolarHBondContact CA-OG1 3.5Å; K536-T539 PolarHBondContact O-N 3Å; K536-T539 PolarHBondContact O-OG1 2.93Å; K536-E540 WeakPolarHBondContact O-CG 3.4Å; K536-E540 PolarHBondContact O-N 2.81Å
537	E	91.2	Very high	89.7	Confident	140 Å²	140	110.3 Å²	110.3	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-59	-44.3	176.9	-169.1	176.8	-173.4	0	0	111.9	A533 K534 T539 E540 Y541	A533-E537 PolarHBondContact O-N 3.31Å; K534-E537 PolarHBondContact O-N 2.99Å; E537-T539 PolarHBondContact O-N 2.72Å; E537-E540 PolarHBondContact O-N 2.75Å; E537-Y541 VanDerWaalsContact O-CB 3.32Å; E537-Y541 WeakPolarHBondContact O-CB 3.3Å; E537-Y541 PolarHBondContact O-N 3.29Å
538	E	88.9	Confident	89.4	Confident	122 Å²	122	114.7 Å²	114.7	57%	0.57	54%	0.544	S	S	*	.	H	α-helix	trans	-60	-43.7	174.1	-74.2	173.7	177.4	0	0	112.3	K534 K535 K536 Y541 L542	K534-E538 WeakPolarHBondContact O-CG 3.3Å; K534-E538 PolarHBondContact O-N 3.25Å; K535-E538 PolarHBondContact O-N 3.21Å; K536-E538 PolarHBondContact O-N 3.06Å; E538-Y541 PolarHBondContact O-N 3.43Å; E538-L542 WeakPolarHBondContact O-CB 3.32Å; E538-L542 PolarHBondContact O-N 2.98Å
539	T	84.4	Confident	89	Confident	87 Å²	87	113.4 Å²	113.4	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-37.7	177.8	61.1	0	0	0	0	112.8	K535 K536 E537 K543	K535-T539 VanDerWaalsContact O-CG2 3.28Å; K535-T539 WeakPolarHBondContact O-CG2 3.44Å; K535-T539 PolarHBondContact O-N 3.27Å; K535-T539 PolarHBondContact O-OG1 3.16Å; K536-T539 WeakPolarHBondContact CA-OG1 3.5Å; K536-T539 PolarHBondContact O-N 3Å; K536-T539 PolarHBondContact O-OG1 2.93Å; E537-T539 PolarHBondContact O-N 2.72Å; T539-K543 WeakPolarHBondContact O-CB 3.28Å; T539-K543 PolarHBondContact O-N 2.98Å
540	E	90.1	Very high	88.1	Confident	111 Å²	111	115.1 Å²	115.1	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-67.3	-40.1	174.5	-74.7	-167.6	178.6	0	0	111.5	K536 E537 K543 R544	K536-E540 WeakPolarHBondContact O-CG 3.4Å; K536-E540 PolarHBondContact O-N 2.81Å; E537-E540 PolarHBondContact O-N 2.75Å; E540-K543 PolarHBondContact O-N 3.03Å; E540-R544 WeakPolarHBondContact O-CG 3.41Å; E540-R544 PolarHBondContact O-N 3.23Å
541	Y	91.7	Very high	87.4	Confident	153 Å²	153	112.9 Å²	112.9	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-60.5	-48.6	174.5	179.8	-103.8	0	0	0	111.6	E537 E538 K543 R544 I545	E537-Y541 VanDerWaalsContact O-CB 3.32Å; E537-Y541 WeakPolarHBondContact O-CB 3.3Å; E537-Y541 PolarHBondContact O-N 3.29Å; E538-Y541 PolarHBondContact O-N 3.43Å; Y541-K543 VanDerWaalsContact C-N 3.3Å; Y541-K543 PolarHBondContact O-N 3.31Å; Y541-R544 PolarHBondContact O-N 3.04Å; Y541-I545 HydrophobicContact CD1-CD1 3.82Å; Y541-I545 HydrophobicContact CE1-CD1 3.25Å; Y541-I545 HydrophobicContact CE1-CG1 4.25Å; Y541-I545 HydrophobicContact CE2-CD1 4.32Å; Y541-I545 PolarHBondContact O-N 3.22Å
542	L	90.1	Very high	86.8	Confident	99 Å²	99	114 Å²	114	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-59.1	-40	174	-81.8	161.5	0	0	0	112.3	E538 I545 K546	E538-L542 WeakPolarHBondContact O-CB 3.32Å; E538-L542 PolarHBondContact O-N 2.98Å; L542-I545 PolarHBondContact O-N 3.4Å; L542-K546 WeakPolarHBondContact O-CG 3.45Å; L542-K546 PolarHBondContact O-N 2.96Å
543	K	87.2	Confident	86.1	Confident	155 Å²	155	114.1 Å²	114.1	67%	0.674	54%	0.544	S	S	*	.	H	α-helix	trans	-65.6	-40.2	176.9	-166.5	178.4	-179.8	-176	0	111.6	T539 E540 Y541 K546 Q547	T539-K543 WeakPolarHBondContact O-CB 3.28Å; T539-K543 PolarHBondContact O-N 2.98Å; E540-K543 PolarHBondContact O-N 3.03Å; Y541-K543 VanDerWaalsContact C-N 3.3Å; Y541-K543 PolarHBondContact O-N 3.31Å; K543-K546 PolarHBondContact O-N 2.94Å; K543-Q547 WeakPolarHBondContact O-CB 3.48Å; K543-Q547 PolarHBondContact O-N 2.7Å
544	R	90.9	Very high	84.7	Confident	160 Å²	160	117.1 Å²	117.1	60%	0.604	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-41.6	174.4	-73.9	-177.7	-167.3	179	7.2	112.1	E540 Y541 Q547 K548	E540-R544 WeakPolarHBondContact O-CG 3.41Å; E540-R544 PolarHBondContact O-N 3.23Å; Y541-R544 PolarHBondContact O-N 3.04Å; R544-Q547 PolarHBondContact O-N 3.42Å; R544-K548 WeakPolarHBondContact O-CG 3.26Å; R544-K548 PolarHBondContact O-N 2.74Å
545	I	89	Confident	83.8	Confident	56 Å²	56	118.1 Å²	118.1	29%	0.287	55%	0.554	S	S	.	*	H	α-helix	trans	-59.7	-52.5	174.6	-71.1	176.2	0	0	0	110	Y541 L542 Q547 K548 E549	Y541-I545 HydrophobicContact CD1-CD1 3.82Å; Y541-I545 HydrophobicContact CE1-CD1 3.25Å; Y541-I545 HydrophobicContact CE1-CG1 4.25Å; Y541-I545 HydrophobicContact CE2-CD1 4.32Å; Y541-I545 PolarHBondContact O-N 3.22Å; L542-I545 PolarHBondContact O-N 3.4Å; I545-Q547 VanDerWaalsContact C-N 3.28Å; I545-Q547 PolarHBondContact O-N 3.03Å; I545-K548 WeakPolarHBondContact O-CB 3.4Å; I545-K548 PolarHBondContact O-N 3.36Å; I545-E549 HydrophobicContact CG2-CG 4.45Å; I545-E549 PolarHBondContact O-N 3.18Å
546	K	84.8	Confident	82.8	Confident	139 Å²	139	118.9 Å²	118.9	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-58	-40.3	178	-74.5	-176.6	177.7	-176.9	0	112.4	L542 K543 E549 V550	L542-K546 WeakPolarHBondContact O-CG 3.45Å; L542-K546 PolarHBondContact O-N 2.96Å; K543-K546 PolarHBondContact O-N 2.94Å; K546-E549 PolarHBondContact O-N 3.04Å; K546-V550 VanDerWaalsContact O-CG2 3.29Å; K546-V550 WeakPolarHBondContact O-CG2 3.49Å; K546-V550 PolarHBondContact O-N 3.42Å
547	Q	84.3	Confident	81.6	Confident	136 Å²	136	114.1 Å²	114.1	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-38	177.6	-168.7	172.7	11.4	0	0	112	K543 R544 I545 S551	K543-Q547 WeakPolarHBondContact O-CB 3.48Å; K543-Q547 PolarHBondContact O-N 2.7Å; R544-Q547 PolarHBondContact O-N 3.42Å; I545-Q547 VanDerWaalsContact C-N 3.28Å; I545-Q547 PolarHBondContact O-N 3.03Å; Q547-S551 WeakPolarHBondContact O-CB 3.31Å; Q547-S551 PolarHBondContact O-N 3.02Å
548	K	86.6	Confident	80.1	Confident	150 Å²	150	114.3 Å²	114.3	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-64.3	-45.1	173.4	-75.2	177.4	179.4	-176.2	0	111.4	R544 I545 S551 H552	R544-K548 WeakPolarHBondContact O-CG 3.26Å; R544-K548 PolarHBondContact O-N 2.74Å; I545-K548 WeakPolarHBondContact O-CB 3.4Å; I545-K548 PolarHBondContact O-N 3.36Å; K548-S551 PolarHBondContact O-N 3.49Å; K548-S551 PolarHBondContact O-OG 3.26Å; K548-H552 WeakPolarHBondContact O-CB 3.48Å; K548-H552 PolarHBondContact O-N 3.32Å
549	E	80.6	Confident	78.5	Confident	114 Å²	114	111.4 Å²	111.4	53%	0.533	55%	0.55	S	S	.	.	H	α-helix	trans	-59.3	-46.3	175.4	-73	172.8	168.8	0	0	111.8	I545 K546 S551 H552 T553	I545-E549 HydrophobicContact CG2-CG 4.45Å; I545-E549 PolarHBondContact O-N 3.18Å; K546-E549 PolarHBondContact O-N 3.04Å; E549-S551 VanDerWaalsContact C-N 3.32Å; E549-S551 PolarHBondContact O-N 2.89Å; E549-H552 PolarHBondContact O-N 3.45Å; E549-T553 WeakPolarHBondContact O-CB 3.29Å; E549-T553 WeakPolarHBondContact O-CG2 3.28Å; E549-T553 PolarHBondContact O-N 2.89Å; E549-T553 PolarHBondContact O-OG1 2.92Å
550	V	75.7	Confident	77.2	Confident	85 Å²	85	110.9 Å²	110.9	52%	0.515	56%	0.562	S	S	.	*	H	α-helix	trans	-62.2	-39.7	175.2	173.9	0	0	0	0	111.3	K546 T553 M554	K546-V550 VanDerWaalsContact O-CG2 3.29Å; K546-V550 WeakPolarHBondContact O-CG2 3.49Å; K546-V550 PolarHBondContact O-N 3.42Å; V550-T553 VanDerWaalsContact CA-OG1 3.3Å; V550-T553 WeakPolarHBondContact CA-OG1 3.44Å; V550-T553 PolarHBondContact O-OG1 3.46Å; V550-M554 WeakPolarHBondContact O-CB 3.46Å; V550-M554 WeakPolarHBondContact O-CG 3.39Å; V550-M554 PolarHBondContact O-N 3.17Å
551	S	77	Confident	75.5	Confident	56 Å²	56	112.6 Å²	112.6	39%	0.392	57%	0.57	S	S	.	*	H	α-helix	trans	-68.3	-35.9	176.4	82	0	0	0	0	112.8	Q547 K548 E549 K555	Q547-S551 WeakPolarHBondContact O-CB 3.31Å; Q547-S551 PolarHBondContact O-N 3.02Å; K548-S551 PolarHBondContact O-N 3.49Å; K548-S551 PolarHBondContact O-OG 3.26Å; E549-S551 VanDerWaalsContact C-N 3.32Å; E549-S551 PolarHBondContact O-N 2.89Å; S551-K555 WeakPolarHBondContact O-CB 3.33Å; S551-K555 WeakPolarHBondContact O-CG 3.47Å; S551-K555 PolarHBondContact O-N 2.86Å
552	H	77.4	Confident	73.7	Confident	113 Å²	113	114.1 Å²	114.1	52%	0.523	59%	0.587	S	S	.	*	H	α-helix	trans	-68.6	-51.5	178.1	-171.6	-77.1	0	0	0	110	K548 E549 M554 K555 E556	K548-H552 WeakPolarHBondContact O-CB 3.48Å; K548-H552 PolarHBondContact O-N 3.32Å; E549-H552 PolarHBondContact O-N 3.45Å; H552-M554 VanDerWaalsContact C-N 3.33Å; H552-M554 PolarHBondContact O-N 2.91Å; H552-K555 PolarHBondContact O-N 3.41Å; H552-K555 VanDerWaalsContact O-N 3.09Å; H552-E556 IonicContact CE1-OE2 2.94Å; H552-E556 PolarHBondContact CE1-OE2 2.91Å; H552-E556 VanDerWaalsContact CE1-OE2 3.27Å; H552-E556 IonicContact ND1-OE2 3.55Å; H552-E556 PolarHBondContact ND1-OE2 3.38Å; H552-E556 VanDerWaalsContact ND1-OE2 3.1Å; H552-E556 VanDerWaalsContact O-CB 3.29Å; H552-E556 WeakPolarHBondContact O-CB 3.22Å; H552-E556 PolarHBondContact O-N 3.18Å
553	T	73.1	Confident	72.3	Confident	72 Å²	72	112.4 Å²	112.4	44%	0.442	58%	0.578	S	S	.	*	H	α-helix	trans	-57.7	-43.4	175.7	51.7	0	0	0	0	111.2	E549 V550 K555 E556 T557	E549-T553 WeakPolarHBondContact O-CB 3.29Å; E549-T553 WeakPolarHBondContact O-CG2 3.28Å; E549-T553 PolarHBondContact O-N 2.89Å; E549-T553 PolarHBondContact O-OG1 2.92Å; V550-T553 VanDerWaalsContact CA-OG1 3.3Å; V550-T553 WeakPolarHBondContact CA-OG1 3.44Å; V550-T553 PolarHBondContact O-OG1 3.46Å; T553-K555 PolarHBondContact O-N 2.93Å; T553-E556 PolarHBondContact O-N 2.97Å; T553-T557 WeakPolarHBondContact O-CB 3.38Å; T553-T557 PolarHBondContact O-N 3.49Å; T553-T557 PolarHBondContact O-OG1 3.07Å
554	M	65.2	Low	71.4	Confident	117 Å²	117	107.5 Å²	107.5	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-61	-44.2	173.3	-82.6	-176.4	83.8	0	0	113	V550 H552 T557 L558	V550-M554 WeakPolarHBondContact O-CB 3.46Å; V550-M554 WeakPolarHBondContact O-CG 3.39Å; V550-M554 PolarHBondContact O-N 3.17Å; H552-M554 VanDerWaalsContact C-N 3.33Å; H552-M554 PolarHBondContact O-N 2.91Å; M554-T557 PolarHBondContact O-N 2.96Å; M554-L558 WeakPolarHBondContact O-CB 3.29Å; M554-L558 WeakPolarHBondContact O-CD1 3.29Å; M554-L558 VanDerWaalsContact O-CG 3.22Å; M554-L558 WeakPolarHBondContact O-CG 3.3Å; M554-L558 PolarHBondContact O-N 3.41Å
555	K	72.5	Confident	70.5	Confident	159 Å²	159	104.6 Å²	104.6	69%	0.691	56%	0.564	S	S	*	*	H	α-helix	trans	-63.6	-41.5	177.4	-80.9	178.4	178	-177.2	0	112.3	S551 H552 T553 L558 G559	S551-K555 WeakPolarHBondContact O-CB 3.33Å; S551-K555 WeakPolarHBondContact O-CG 3.47Å; S551-K555 PolarHBondContact O-N 2.86Å; H552-K555 PolarHBondContact O-N 3.41Å; H552-K555 VanDerWaalsContact O-N 3.09Å; T553-K555 PolarHBondContact O-N 2.93Å; K555-L558 PolarHBondContact O-N 2.94Å; K555-G559 PolarHBondContact O-N 2.76Å
556	E	69.1	Low	70	Confident	127 Å²	127	109.4 Å²	109.4	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-68.6	-39.4	-179.9	-164.5	166.7	-162.7	0	0	111.2	H552 T553 G559	H552-E556 IonicContact CE1-OE2 2.94Å; H552-E556 PolarHBondContact CE1-OE2 2.91Å; H552-E556 VanDerWaalsContact CE1-OE2 3.27Å; H552-E556 IonicContact ND1-OE2 3.55Å; H552-E556 PolarHBondContact ND1-OE2 3.38Å; H552-E556 VanDerWaalsContact ND1-OE2 3.1Å; H552-E556 VanDerWaalsContact O-CB 3.29Å; H552-E556 WeakPolarHBondContact O-CB 3.22Å; H552-E556 PolarHBondContact O-N 3.18Å; T553-E556 PolarHBondContact O-N 2.97Å; E556-G559 PolarHBondContact O-N 3.36Å
557	T	64	Low	69.7	Low	46 Å²	46	108.6 Å²	108.6	28%	0.282	58%	0.582	S	S	.	*	H	α-helix	trans	-71	-32.9	176.3	-40.4	0	0	0	0	112.8	T553 M554 G559 L568	T553-T557 WeakPolarHBondContact O-CB 3.38Å; T553-T557 PolarHBondContact O-N 3.49Å; T553-T557 PolarHBondContact O-OG1 3.07Å; M554-T557 PolarHBondContact O-N 2.96Å; T557-G559 VanDerWaalsContact C-N 3.31Å; T557-L568 HydrophobicContact CG2-CD1 3.25Å; T557-L568 HydrophobicContact CG2-CD2 3.66Å; T557-L568 HydrophobicContact CG2-CG 4.03Å
558	L	58.5	Low	69.3	Low	144 Å²	144	104.5 Å²	104.5	75%	0.754	56%	0.564	S	S	*	*	H	α-helix	trans	-80.3	-15.1	175.8	-68.2	169.6	0	0	0	112.5	M554 K555 G560	M554-L558 WeakPolarHBondContact O-CB 3.29Å; M554-L558 WeakPolarHBondContact O-CD1 3.29Å; M554-L558 VanDerWaalsContact O-CG 3.22Å; M554-L558 WeakPolarHBondContact O-CG 3.3Å; M554-L558 PolarHBondContact O-N 3.41Å; K555-L558 PolarHBondContact O-N 2.94Å; L558-G560 PolarHBondContact O-N 2.82Å
559	G	55.4	Low	68.9	Low	60 Å²	60	102.1 Å²	102.1	62%	0.619	56%	0.557	S	S	*	*	S	Bend	trans	-84.7	77.3	178.8	0	0	0	0	0	113	K555 E556 T557	K555-G559 PolarHBondContact O-N 2.76Å; E556-G559 PolarHBondContact O-N 3.36Å; T557-G559 VanDerWaalsContact C-N 3.31Å
560	G	57	Low	69.2	Low	77 Å²	77	101.3 Å²	101.3	79%	0.794	56%	0.557	S	S	*	*	S	Bend	trans	105.5	-1.4	149.7	0	0	0	0	0	118.9	L558	L558-G560 PolarHBondContact O-N 2.82Å
561	Q	55.7	Low	69.4	Low	146 Å²	146	100.3 Å²	100.3	68%	0.682	55%	0.553	S	S	*	*			trans	-119.6	122.7	166.9	-74.4	-176.8	-10	0	0	110.3	I563	Q561-I563 HydrophobicContact CB-CD1 3.92Å; Q561-I563 HydrophobicContact CB-CG1 3.82Å; Q561-I563 PolarHBondContact O-N 2.89Å
562	I	54.6	Low	69.6	Low	186 Å²	186	101.7 Å²	101.7	95%	0.954	56%	0.555	S	S	*	*			trans	-72.6	74.3	173	-55.4	169.7	0	0	0	107.2
563	I	60.7	Low	69.8	Low	63 Å²	63	99.6 Å²	99.6	32%	0.323	55%	0.551	S	S	.	*			trans	-83.4	127.5	174.9	-61.8	161.3	0	0	0	106.4	Q561 Q567 L568	Q561-I563 HydrophobicContact CB-CD1 3.92Å; Q561-I563 HydrophobicContact CB-CG1 3.82Å; Q561-I563 PolarHBondContact O-N 2.89Å; I563-Q567 HydrophobicContact CG2-CB 3.61Å; I563-L568 HydrophobicContact CG2-CB 4.21Å
564	S	68.1	Low	70.5	Confident	52 Å²	52	100.4 Å²	100.4	36%	0.364	55%	0.55	S	S	.	.			trans	-52.8	133.6	174.1	164.3	0	0	0	0	109.6	K566 Q567 L568	S564-K566 PolarHBondContact O-N 3.31Å; S564-Q567 WeakPolarHBondContact O-CA 3.34Å; S564-Q567 WeakPolarHBondContact O-CB 3.27Å; S564-Q567 PolarHBondContact O-N 3.12Å; S564-L568 PolarHBondContact O-N 3.49Å; S564-L568 VanDerWaalsContact O-N 3.17Å
565	P	72.1	Confident	71.5	Confident	98 Å²	98	100.3 Å²	100.3	64%	0.636	55%	0.548	S	S	*	.	H	α-helix	trans	-50.7	-29.9	179.6	-29.1	34.3	0	0	0	113.7	I569	P565-I569 WeakPolarHBondContact O-CD1 3.48Å; P565-I569 WeakPolarHBondContact O-CG1 3.44Å; P565-I569 PolarHBondContact O-N 2.94Å; P565-I569 VanDerWaalsContact O-N 3.07Å
566	K	76.9	Confident	72.2	Confident	158 Å²	158	100.9 Å²	100.9	69%	0.687	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-41.4	174.8	-65.2	-177.5	179.1	178.9	0	112.8	S564 L568 I569 N570	S564-K566 PolarHBondContact O-N 3.31Å; K566-L568 VanDerWaalsContact C-N 3.35Å; K566-I569 PolarHBondContact O-N 3.41Å; K566-N570 WeakPolarHBondContact O-CB 3.45Å; K566-N570 PolarHBondContact O-N 3.27Å; K566-N570 PolarHBondContact O-ND2 3.09Å; K566-N570 PolarHBondContact O-OD1 3.36Å
567	Q	79.4	Confident	73.2	Confident	122 Å²	122	100.4 Å²	100.4	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-66.5	-38.8	178.6	-72.5	173.1	-24.6	0	0	111.3	I563 S564 N570 S571	I563-Q567 HydrophobicContact CG2-CB 3.61Å; S564-Q567 WeakPolarHBondContact O-CA 3.34Å; S564-Q567 WeakPolarHBondContact O-CB 3.27Å; S564-Q567 PolarHBondContact O-N 3.12Å; Q567-N570 PolarHBondContact O-N 2.97Å; Q567-S571 PolarHBondContact O-N 3.14Å; Q567-S571 PolarHBondContact O-OG 3.09Å
568	L	75.9	Confident	74.6	Confident	50 Å²	50	106.9 Å²	106.9	26%	0.262	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-45.9	174.3	177.1	57.6	0	0	0	112.4	T557 I563 S564 K566 N570 S571 I572	T557-L568 HydrophobicContact CG2-CD1 3.25Å; T557-L568 HydrophobicContact CG2-CD2 3.66Å; T557-L568 HydrophobicContact CG2-CG 4.03Å; I563-L568 HydrophobicContact CG2-CB 4.21Å; S564-L568 PolarHBondContact O-N 3.49Å; S564-L568 VanDerWaalsContact O-N 3.17Å; K566-L568 VanDerWaalsContact C-N 3.35Å; L568-N570 VanDerWaalsContact C-N 3.27Å; L568-N570 PolarHBondContact O-N 3.23Å; L568-S571 PolarHBondContact O-N 2.94Å; L568-S571 PolarHBondContact O-OG 2.91Å; L568-I572 HydrophobicContact CD1-CD1 3.69Å; L568-I572 HydrophobicContact CD1-CG1 4.04Å; L568-I572 HydrophobicContact CG-CD1 3.84Å; L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 VanDerWaalsContact O-CG1 3.28Å; L568-I572 WeakPolarHBondContact O-CG1 3.49Å; L568-I572 PolarHBondContact O-N 3.01Å
569	I	78.2	Confident	76.1	Confident	100 Å²	100	105 Å²	105	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-44	176.6	-70.1	165.4	0	0	0	109.7	P565 K566 I572 T573	P565-I569 WeakPolarHBondContact O-CD1 3.48Å; P565-I569 WeakPolarHBondContact O-CG1 3.44Å; P565-I569 PolarHBondContact O-N 2.94Å; P565-I569 VanDerWaalsContact O-N 3.07Å; K566-I569 PolarHBondContact O-N 3.41Å; I569-I572 PolarHBondContact O-N 2.82Å; I569-T573 HydrophobicContact CG2-CG2 4.24Å; I569-T573 WeakPolarHBondContact O-CB 3.39Å; I569-T573 VanDerWaalsContact O-CG2 3.26Å; I569-T573 WeakPolarHBondContact O-CG2 3.48Å; I569-T573 PolarHBondContact O-N 3.12Å; I569-T573 PolarHBondContact O-OG1 3.37Å; I569-T573 VanDerWaalsContact O-OG1 3.06Å
570	N	85.7	Confident	77.7	Confident	97 Å²	97	107 Å²	107	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-44.9	179.1	-70.9	-6.2	0	0	0	112.2	K566 Q567 L568 T573 E574	K566-N570 WeakPolarHBondContact O-CB 3.45Å; K566-N570 PolarHBondContact O-N 3.27Å; K566-N570 PolarHBondContact O-ND2 3.09Å; K566-N570 PolarHBondContact O-OD1 3.36Å; Q567-N570 PolarHBondContact O-N 2.97Å; L568-N570 VanDerWaalsContact C-N 3.27Å; L568-N570 PolarHBondContact O-N 3.23Å; N570-T573 VanDerWaalsContact CA-OG1 3.26Å; N570-T573 WeakPolarHBondContact CA-OG1 3.48Å; N570-T573 PolarHBondContact O-N 3.08Å; N570-T573 PolarHBondContact O-OG1 3.44Å; N570-E574 WeakPolarHBondContact O-CB 3.5Å; N570-E574 WeakPolarHBondContact O-CG 3.37Å; N570-E574 PolarHBondContact O-N 2.87Å
571	S	80.9	Confident	79.4	Confident	64 Å²	64	107.7 Å²	107.7	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-44.6	178.1	64	0	0	0	0	111.8	Q567 L568 T573 E574 E575	Q567-S571 PolarHBondContact O-N 3.14Å; Q567-S571 PolarHBondContact O-OG 3.09Å; L568-S571 PolarHBondContact O-N 2.94Å; L568-S571 PolarHBondContact O-OG 2.91Å; S571-T573 VanDerWaalsContact C-N 3.33Å; S571-T573 PolarHBondContact O-N 3.31Å; S571-E574 PolarHBondContact O-N 3.28Å; S571-E575 WeakPolarHBondContact O-CB 3.34Å; S571-E575 PolarHBondContact O-N 3.47Å
572	I	81.1	Confident	81.2	Confident	84 Å²	84	105.7 Å²	105.7	43%	0.431	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-41.2	175.4	-66.2	168.9	0	0	0	110.7	L568 I569 R576	L568-I572 HydrophobicContact CD1-CD1 3.69Å; L568-I572 HydrophobicContact CD1-CG1 4.04Å; L568-I572 HydrophobicContact CG-CD1 3.84Å; L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 VanDerWaalsContact O-CG1 3.28Å; L568-I572 WeakPolarHBondContact O-CG1 3.49Å; L568-I572 PolarHBondContact O-N 3.01Å; I569-I572 PolarHBondContact O-N 2.82Å; I572-R576 VanDerWaalsContact O-CB 3.24Å; I572-R576 WeakPolarHBondContact O-CB 3.5Å; I572-R576 PolarHBondContact O-N 3.14Å
573	T	81.9	Confident	83	Confident	69 Å²	69	101.4 Å²	101.4	42%	0.423	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-40.2	178.8	53	0	0	0	0	112.6	I569 N570 S571 R576 K577	I569-T573 HydrophobicContact CG2-CG2 4.24Å; I569-T573 WeakPolarHBondContact O-CB 3.39Å; I569-T573 VanDerWaalsContact O-CG2 3.26Å; I569-T573 WeakPolarHBondContact O-CG2 3.48Å; I569-T573 PolarHBondContact O-N 3.12Å; I569-T573 PolarHBondContact O-OG1 3.37Å; I569-T573 VanDerWaalsContact O-OG1 3.06Å; N570-T573 VanDerWaalsContact CA-OG1 3.26Å; N570-T573 WeakPolarHBondContact CA-OG1 3.48Å; N570-T573 PolarHBondContact O-N 3.08Å; N570-T573 PolarHBondContact O-OG1 3.44Å; S571-T573 VanDerWaalsContact C-N 3.33Å; S571-T573 PolarHBondContact O-N 3.31Å; T573-R576 PolarHBondContact O-N 2.9Å; T573-K577 WeakPolarHBondContact O-CB 3.35Å; T573-K577 PolarHBondContact O-N 3.49Å
574	E	88.8	Confident	84.4	Confident	90 Å²	90	101.5 Å²	101.5	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-40.1	177.6	-74.3	-58	138.4	0	0	111.7	N570 S571 K577 R578	N570-E574 WeakPolarHBondContact O-CB 3.5Å; N570-E574 WeakPolarHBondContact O-CG 3.37Å; N570-E574 PolarHBondContact O-N 2.87Å; S571-E574 PolarHBondContact O-N 3.28Å; E574-K577 WeakPolarHBondContact O-CB 3.44Å; E574-K577 PolarHBondContact O-N 3.32Å; E574-R578 WeakPolarHBondContact O-CG 3.43Å; E574-R578 PolarHBondContact O-N 3.5Å
575	E	85.5	Confident	85.7	Confident	115 Å²	115	103.3 Å²	103.3	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-45.4	173.3	-170.3	-176.7	171.3	0	0	111.3	S571 K577 R578 Q579	S571-E575 WeakPolarHBondContact O-CB 3.34Å; S571-E575 PolarHBondContact O-N 3.47Å; E575-K577 VanDerWaalsContact C-N 3.3Å; E575-K577 PolarHBondContact O-N 2.9Å; E575-R578 WeakPolarHBondContact O-CB 3.38Å; E575-R578 PolarHBondContact O-N 2.98Å; E575-Q579 WeakPolarHBondContact O-CG 3.42Å; E575-Q579 PolarHBondContact O-N 2.87Å; E575-Q579 PolarHBondContact OE1-NE2 2.89Å
576	R	87.3	Confident	86.7	Confident	171 Å²	171	102.3 Å²	102.3	65%	0.645	49%	0.494	S	S	*	.	H	α-helix	trans	-63.7	-36.1	177.2	-162.9	171.7	-169.6	164.2	2.3	112.3	I572 T573 Q579 L580	I572-R576 VanDerWaalsContact O-CB 3.24Å; I572-R576 WeakPolarHBondContact O-CB 3.5Å; I572-R576 PolarHBondContact O-N 3.14Å; T573-R576 PolarHBondContact O-N 2.9Å; R576-Q579 PolarHBondContact O-N 3.35Å; R576-L580 WeakPolarHBondContact O-CG 3.34Å; R576-L580 PolarHBondContact O-N 3.31Å
577	K	89.9	Confident	87.3	Confident	116 Å²	116	102.1 Å²	102.1	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-45.1	173.2	-175.9	-177.5	174.8	-171.4	0	111.3	T573 E574 E575 L580 I581	T573-K577 WeakPolarHBondContact O-CB 3.35Å; T573-K577 PolarHBondContact O-N 3.49Å; E574-K577 WeakPolarHBondContact O-CB 3.44Å; E574-K577 PolarHBondContact O-N 3.32Å; E575-K577 VanDerWaalsContact C-N 3.3Å; E575-K577 PolarHBondContact O-N 2.9Å; K577-L580 PolarHBondContact O-N 3.08Å; K577-I581 HydrophobicContact CG-CD1 4.21Å; K577-I581 WeakPolarHBondContact O-CG1 3.44Å; K577-I581 PolarHBondContact O-N 2.95Å
578	R	92.6	Very high	88	Confident	183 Å²	183	101.4 Å²	101.4	69%	0.691	49%	0.486	S	S	*	.	H	α-helix	trans	-60.9	-44.5	175.1	-70.1	174.9	-175.3	-172.8	0.5	112.1	E574 E575 L580 I581 Q582	E574-R578 WeakPolarHBondContact O-CG 3.43Å; E574-R578 PolarHBondContact O-N 3.5Å; E575-R578 WeakPolarHBondContact O-CB 3.38Å; E575-R578 PolarHBondContact O-N 2.98Å; R578-L580 VanDerWaalsContact C-N 3.35Å; R578-L580 PolarHBondContact O-N 3.49Å; R578-I581 PolarHBondContact O-N 3.45Å; R578-Q582 PolarHBondContact O-N 2.94Å
579	Q	90.6	Very high	89	Confident	103 Å²	103	101 Å²	101	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.2	-70.6	177.9	9.8	0	0	112.3	E575 R576 Q582 N583	E575-Q579 WeakPolarHBondContact O-CG 3.42Å; E575-Q579 PolarHBondContact O-N 2.87Å; E575-Q579 PolarHBondContact OE1-NE2 2.89Å; R576-Q579 PolarHBondContact O-N 3.35Å; Q579-Q582 PolarHBondContact O-N 2.96Å; Q579-N583 WeakPolarHBondContact O-CB 3.31Å; Q579-N583 PolarHBondContact O-N 3.29Å; Q579-N583 PolarHBondContact O-ND2 3Å
580	L	89.8	Confident	89.7	Confident	103 Å²	103	101.6 Å²	101.6	54%	0.539	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-44.8	175.9	-77.2	168	0	0	0	112	R576 K577 R578 Q582 N583 D584	R576-L580 WeakPolarHBondContact O-CG 3.34Å; R576-L580 PolarHBondContact O-N 3.31Å; K577-L580 PolarHBondContact O-N 3.08Å; R578-L580 VanDerWaalsContact C-N 3.35Å; R578-L580 PolarHBondContact O-N 3.49Å; L580-Q582 PolarHBondContact O-N 2.88Å; L580-N583 PolarHBondContact O-N 2.87Å; L580-D584 PolarHBondContact O-N 3.09Å
581	I	92.8	Very high	90	Very high	91 Å²	91	103.7 Å²	103.7	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-59.5	-47.1	175.8	-66.4	164.2	0	0	0	110.4	K577 R578 N583 D584 L585	K577-I581 HydrophobicContact CG-CD1 4.21Å; K577-I581 WeakPolarHBondContact O-CG1 3.44Å; K577-I581 PolarHBondContact O-N 2.95Å; R578-I581 PolarHBondContact O-N 3.45Å; I581-N583 VanDerWaalsContact C-N 3.34Å; I581-N583 PolarHBondContact O-N 3.26Å; I581-D584 PolarHBondContact O-N 3.34Å; I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CG 3.42Å; I581-L585 PolarHBondContact O-N 3.33Å
582	Q	93.5	Very high	90.7	Very high	105 Å²	105	106.4 Å²	106.4	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-40.7	178.6	-169.1	66	17.2	0	0	112.3	R578 Q579 L580 L585 N586	R578-Q582 PolarHBondContact O-N 2.94Å; Q579-Q582 PolarHBondContact O-N 2.96Å; L580-Q582 PolarHBondContact O-N 2.88Å; Q582-L585 PolarHBondContact O-N 3.23Å; Q582-N586 WeakPolarHBondContact O-CB 3.43Å; Q582-N586 VanDerWaalsContact O-CG 3.26Å; Q582-N586 PolarHBondContact O-N 3.09Å; Q582-N586 PolarHBondContact O-ND2 3.37Å
583	N	90.5	Very high	91.5	Very high	96 Å²	96	110 Å²	110	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-40.5	176.6	-73.6	-25.6	0	0	0	112.2	Q579 L580 I581 N586 R587	Q579-N583 WeakPolarHBondContact O-CB 3.31Å; Q579-N583 PolarHBondContact O-N 3.29Å; Q579-N583 PolarHBondContact O-ND2 3Å; L580-N583 PolarHBondContact O-N 2.87Å; I581-N583 VanDerWaalsContact C-N 3.34Å; I581-N583 PolarHBondContact O-N 3.26Å; N583-N586 PolarHBondContact O-N 2.72Å; N583-R587 WeakPolarHBondContact O-CB 3.3Å; N583-R587 PolarHBondContact O-N 3.44Å
584	D	90.7	Very high	92	Very high	65 Å²	65	112.4 Å²	112.4	35%	0.348	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-40.2	175.7	-82.7	-29.2	0	0	0	111.6	L580 I581 R587 Q588	L580-D584 PolarHBondContact O-N 3.09Å; I581-D584 PolarHBondContact O-N 3.34Å; D584-R587 PolarHBondContact O-N 3.02Å; D584-R587 IonicContact OD1-CZ 3.4Å; D584-R587 IonicContact OD1-NH1 2.75Å; D584-R587 PolarHBondContact OD1-NH1 3.04Å; D584-R587 IonicContact OD1-NH2 3.48Å; D584-R587 PolarHBondContact OD1-NH2 2.79Å; D584-Q588 VanDerWaalsContact O-CG 3.29Å; D584-Q588 WeakPolarHBondContact O-CG 3.41Å; D584-Q588 PolarHBondContact O-N 2.99Å
585	L	95.2	Very high	92.3	Very high	89 Å²	89	111.2 Å²	111.2	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-46.4	173.2	-70.9	175.7	0	0	0	112	I581 Q582 R587 Q588 A589	I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CG 3.42Å; I581-L585 PolarHBondContact O-N 3.33Å; Q582-L585 PolarHBondContact O-N 3.23Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.49Å; L585-Q588 PolarHBondContact O-N 3.36Å; L585-A589 PolarHBondContact O-N 3.18Å
586	N	93.4	Very high	92.8	Very high	78 Å²	78	110 Å²	110	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.6	-73.3	-16.5	0	0	0	111.6	Q582 N583 A589 E590	Q582-N586 WeakPolarHBondContact O-CB 3.43Å; Q582-N586 VanDerWaalsContact O-CG 3.26Å; Q582-N586 PolarHBondContact O-N 3.09Å; Q582-N586 PolarHBondContact O-ND2 3.37Å; N583-N586 PolarHBondContact O-N 2.72Å; N586-A589 PolarHBondContact O-N 3.13Å; N586-E590 PolarHBondContact O-N 3.05Å
587	R	90	Very high	93.2	Very high	153 Å²	153	103.8 Å²	103.8	58%	0.577	49%	0.49	S	S	*	.	H	α-helix	trans	-63.7	-40.4	176.2	-171.4	-178.1	70.1	-147.3	-11.3	111.7	N583 D584 L585 E590 Y591	N583-R587 WeakPolarHBondContact O-CB 3.3Å; N583-R587 PolarHBondContact O-N 3.44Å; D584-R587 PolarHBondContact O-N 3.02Å; D584-R587 IonicContact OD1-CZ 3.4Å; D584-R587 IonicContact OD1-NH1 2.75Å; D584-R587 PolarHBondContact OD1-NH1 3.04Å; D584-R587 IonicContact OD1-NH2 3.48Å; D584-R587 PolarHBondContact OD1-NH2 2.79Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.49Å; R587-E590 PolarHBondContact O-N 3.5Å; R587-Y591 VanDerWaalsContact O-CB 3.3Å; R587-Y591 WeakPolarHBondContact O-CB 3.28Å; R587-Y591 PolarHBondContact O-N 3.5Å
588	Q	94.6	Very high	93.2	Very high	108 Å²	108	101.7 Å²	101.7	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.9	-74.4	175	6.7	0	0	111.5	D584 L585 Y591 Q592	D584-Q588 VanDerWaalsContact O-CG 3.29Å; D584-Q588 WeakPolarHBondContact O-CG 3.41Å; D584-Q588 PolarHBondContact O-N 2.99Å; L585-Q588 PolarHBondContact O-N 3.36Å; Q588-Y591 PolarHBondContact O-N 3.28Å; Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 2.86Å
589	A	95.3	Very high	93.3	Very high	42 Å²	42	99 Å²	99	35%	0.347	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-38.5	176.5	0	0	0	0	0	112.9	L585 N586 R593	L585-A589 PolarHBondContact O-N 3.18Å; N586-A589 PolarHBondContact O-N 3.13Å; A589-R593 WeakPolarHBondContact O-CG 3.49Å; A589-R593 PolarHBondContact O-N 3.39Å
590	E	92.9	Very high	93.5	Very high	112 Å²	112	100.7 Å²	100.7	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-48.1	171.1	-80.7	176.5	-178.9	0	0	112	N586 R587 Q592 R593 E594	N586-E590 PolarHBondContact O-N 3.05Å; R587-E590 PolarHBondContact O-N 3.5Å; E590-Q592 VanDerWaalsContact C-N 3.33Å; E590-Q592 PolarHBondContact O-N 2.94Å; E590-R593 WeakPolarHBondContact O-CB 3.38Å; E590-R593 PolarHBondContact O-N 3.32Å; E590-R593 VanDerWaalsContact O-N 3.15Å; E590-R593 IonicContact OE1-NH2 2.98Å; E590-E594 PolarHBondContact O-N 2.89Å
591	Y	93.6	Very high	93.6	Very high	141 Å²	141	102.5 Å²	102.5	55%	0.553	49%	0.487	S	S	*	.	H	α-helix	trans	-59.7	-42.9	178.2	178.6	-111.3	0	0	0	112.1	R587 Q588 E594 L595	R587-Y591 VanDerWaalsContact O-CB 3.3Å; R587-Y591 WeakPolarHBondContact O-CB 3.28Å; R587-Y591 PolarHBondContact O-N 3.5Å; Q588-Y591 PolarHBondContact O-N 3.28Å; Y591-E594 PolarHBondContact O-N 3.48Å; Y591-L595 HydrophobicContact CD1-CD1 4.09Å; Y591-L595 HydrophobicContact CE1-CD1 3.51Å; Y591-L595 HydrophobicContact CE1-CG 4.16Å; Y591-L595 HydrophobicContact CE2-CD1 4.44Å; Y591-L595 HydrophobicContact CE2-CD2 4.37Å; Y591-L595 HydrophobicContact CE2-CG 4.24Å; Y591-L595 WeakPolarHBondContact O-CG 3.32Å; Y591-L595 PolarHBondContact O-N 2.84Å
592	Q	95.8	Very high	93.5	Very high	121 Å²	121	102.8 Å²	102.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-62.8	-41.8	174.5	-74.7	177.2	-2.8	0	0	112.3	Q588 E590 E594 L595 N596	Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 2.86Å; E590-Q592 VanDerWaalsContact C-N 3.33Å; E590-Q592 PolarHBondContact O-N 2.94Å; Q592-E594 VanDerWaalsContact C-N 3.33Å; Q592-E594 PolarHBondContact O-N 3.24Å; Q592-L595 PolarHBondContact O-N 3.33Å; Q592-N596 WeakPolarHBondContact O-CB 3.38Å; Q592-N596 VanDerWaalsContact O-CG 3.29Å; Q592-N596 PolarHBondContact O-N 3.46Å; Q592-N596 PolarHBondContact O-ND2 2.91Å
593	R	96	Very high	93.4	Very high	158 Å²	158	102.1 Å²	102.1	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-42	174.1	-77.4	-175.2	-72.7	152	-8.4	111.8	A589 E590 N596 A597	A589-R593 WeakPolarHBondContact O-CG 3.49Å; A589-R593 PolarHBondContact O-N 3.39Å; E590-R593 WeakPolarHBondContact O-CB 3.38Å; E590-R593 PolarHBondContact O-N 3.32Å; E590-R593 VanDerWaalsContact O-N 3.15Å; E590-R593 IonicContact OE1-NH2 2.98Å; R593-N596 PolarHBondContact O-N 3.43Å; R593-A597 WeakPolarHBondContact O-CB 3.37Å; R593-A597 PolarHBondContact O-N 3.35Å
594	E	93	Very high	93.4	Very high	120 Å²	120	101.9 Å²	101.9	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-44	177.7	-170.6	175.4	-172.3	0	0	111.9	E590 Y591 Q592 N596 A597 I598	E590-E594 PolarHBondContact O-N 2.89Å; Y591-E594 PolarHBondContact O-N 3.48Å; Q592-E594 VanDerWaalsContact C-N 3.33Å; Q592-E594 PolarHBondContact O-N 3.24Å; E594-N596 PolarHBondContact O-N 2.92Å; E594-A597 PolarHBondContact O-N 3.27Å; E594-I598 HydrophobicContact CG-CD1 4.09Å; E594-I598 VanDerWaalsContact O-CG1 3.3Å; E594-I598 WeakPolarHBondContact O-CG1 3.34Å; E594-I598 PolarHBondContact O-N 3.11Å
595	L	94.9	Very high	93.5	Very high	66 Å²	66	105 Å²	105	35%	0.346	52%	0.521	S	S	.	.	H	α-helix	trans	-59.1	-45.4	174	-74.8	-177.5	0	0	0	112.1	Y591 Q592 A597 I598 Q599	Y591-L595 HydrophobicContact CD1-CD1 4.09Å; Y591-L595 HydrophobicContact CE1-CD1 3.51Å; Y591-L595 HydrophobicContact CE1-CG 4.16Å; Y591-L595 HydrophobicContact CE2-CD1 4.44Å; Y591-L595 HydrophobicContact CE2-CD2 4.37Å; Y591-L595 HydrophobicContact CE2-CG 4.24Å; Y591-L595 WeakPolarHBondContact O-CG 3.32Å; Y591-L595 PolarHBondContact O-N 2.84Å; Q592-L595 PolarHBondContact O-N 3.33Å; L595-A597 VanDerWaalsContact C-N 3.34Å; L595-A597 PolarHBondContact O-N 3.04Å; L595-I598 PolarHBondContact O-N 3.49Å; L595-Q599 WeakPolarHBondContact O-CB 3.39Å; L595-Q599 WeakPolarHBondContact O-CG 3.43Å; L595-Q599 PolarHBondContact O-N 3.02Å
596	N	95.8	Very high	93.3	Very high	88 Å²	88	103.5 Å²	103.5	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-42.4	176.1	-72.6	-23.6	0	0	0	111.5	Q592 R593 E594 I598 Q599 Q600	Q592-N596 WeakPolarHBondContact O-CB 3.38Å; Q592-N596 VanDerWaalsContact O-CG 3.29Å; Q592-N596 PolarHBondContact O-N 3.46Å; Q592-N596 PolarHBondContact O-ND2 2.91Å; R593-N596 PolarHBondContact O-N 3.43Å; E594-N596 PolarHBondContact O-N 2.92Å; N596-I598 VanDerWaalsContact C-N 3.35Å; N596-I598 PolarHBondContact O-N 3.23Å; N596-Q599 PolarHBondContact O-N 2.85Å; N596-Q600 WeakPolarHBondContact O-CB 3.24Å; N596-Q600 VanDerWaalsContact O-CG 3.31Å; N596-Q600 WeakPolarHBondContact O-CG 3.44Å; N596-Q600 PolarHBondContact O-N 3.39Å
597	A	95.4	Very high	93.3	Very high	41 Å²	41	106.2 Å²	106.2	34%	0.339	53%	0.531	S	S	.	.	H	α-helix	trans	-65	-36.9	176.5	0	0	0	0	0	112.4	R593 E594 L595 R601	R593-A597 WeakPolarHBondContact O-CB 3.37Å; R593-A597 PolarHBondContact O-N 3.35Å; E594-A597 PolarHBondContact O-N 3.27Å; L595-A597 VanDerWaalsContact C-N 3.34Å; L595-A597 PolarHBondContact O-N 3.04Å; A597-R601 VanDerWaalsContact O-CB 3.26Å; A597-R601 WeakPolarHBondContact O-CB 3.49Å; A597-R601 PolarHBondContact O-N 3.5Å
598	I	91.9	Very high	93.4	Very high	72 Å²	72	105.6 Å²	105.6	37%	0.369	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-47	173.9	-69.4	166.1	0	0	0	110.1	E594 L595 N596 Q600 R601 V602	E594-I598 HydrophobicContact CG-CD1 4.09Å; E594-I598 VanDerWaalsContact O-CG1 3.3Å; E594-I598 WeakPolarHBondContact O-CG1 3.34Å; E594-I598 PolarHBondContact O-N 3.11Å; L595-I598 PolarHBondContact O-N 3.49Å; N596-I598 VanDerWaalsContact C-N 3.35Å; N596-I598 PolarHBondContact O-N 3.23Å; I598-Q600 PolarHBondContact O-N 3.26Å; I598-R601 WeakPolarHBondContact O-CB 3.36Å; I598-R601 PolarHBondContact O-N 3.44Å; I598-R601 VanDerWaalsContact O-N 3.16Å; I598-V602 HydrophobicContact CG2-CG2 4.22Å; I598-V602 VanDerWaalsContact O-CG2 3.31Å; I598-V602 WeakPolarHBondContact O-CG2 3.48Å; I598-V602 PolarHBondContact O-N 3.34Å
599	Q	93.4	Very high	93.4	Very high	126 Å²	126	107.3 Å²	107.3	59%	0.589	55%	0.55	S	S	*	.	H	α-helix	trans	-59.3	-46.5	177.9	-75.1	178.1	-6.5	0	0	111.6	L595 N596 R601 V602 A603	L595-Q599 WeakPolarHBondContact O-CB 3.39Å; L595-Q599 WeakPolarHBondContact O-CG 3.43Å; L595-Q599 PolarHBondContact O-N 3.02Å; N596-Q599 PolarHBondContact O-N 2.85Å; Q599-R601 VanDerWaalsContact C-N 3.31Å; Q599-R601 PolarHBondContact O-N 2.88Å; Q599-V602 PolarHBondContact O-N 2.88Å; Q599-A603 VanDerWaalsContact O-CB 3.28Å; Q599-A603 WeakPolarHBondContact O-CB 3.35Å; Q599-A603 PolarHBondContact O-N 3.08Å
600	Q	94.2	Very high	93.3	Very high	139 Å²	139	108.1 Å²	108.1	65%	0.65	55%	0.551	S	S	*	*	H	α-helix	trans	-60.6	-40	174.9	-73.5	177.4	-4.1	0	0	112.2	N596 I598 S604	N596-Q600 WeakPolarHBondContact O-CB 3.24Å; N596-Q600 VanDerWaalsContact O-CG 3.31Å; N596-Q600 WeakPolarHBondContact O-CG 3.44Å; N596-Q600 PolarHBondContact O-N 3.39Å; I598-Q600 PolarHBondContact O-N 3.26Å; Q600-S604 WeakPolarHBondContact O-CB 3.45Å; Q600-S604 PolarHBondContact O-N 3.29Å; Q600-S604 PolarHBondContact O-OG 3.39Å
601	R	92	Very high	93.3	Very high	141 Å²	141	107.9 Å²	107.9	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-68.3	-39.4	177.6	-161.7	-173	-45.2	178	8.8	112.1	A597 I598 Q599 S604 K605	A597-R601 VanDerWaalsContact O-CB 3.26Å; A597-R601 WeakPolarHBondContact O-CB 3.49Å; A597-R601 PolarHBondContact O-N 3.5Å; I598-R601 WeakPolarHBondContact O-CB 3.36Å; I598-R601 PolarHBondContact O-N 3.44Å; I598-R601 VanDerWaalsContact O-N 3.16Å; Q599-R601 VanDerWaalsContact C-N 3.31Å; Q599-R601 PolarHBondContact O-N 2.88Å; R601-S604 WeakPolarHBondContact CA-OG 3.32Å; R601-S604 PolarHBondContact O-OG 2.68Å; R601-K605 WeakPolarHBondContact O-CB 3.44Å; R601-K605 WeakPolarHBondContact O-CD 3.43Å; R601-K605 WeakPolarHBondContact O-CG 3.16Å; R601-K605 PolarHBondContact O-N 2.93Å; R601-K605 VanDerWaalsContact O-N 3.11Å
602	V	91.6	Very high	93.3	Very high	98 Å²	98	106 Å²	106	59%	0.594	54%	0.541	S	S	*	.	H	α-helix	trans	-69.8	-41.3	176.4	172.6	0	0	0	0	110.5	I598 Q599 K605	I598-V602 HydrophobicContact CG2-CG2 4.22Å; I598-V602 VanDerWaalsContact O-CG2 3.31Å; I598-V602 WeakPolarHBondContact O-CG2 3.48Å; I598-V602 PolarHBondContact O-N 3.34Å; Q599-V602 PolarHBondContact O-N 2.88Å; V602-K605 PolarHBondContact O-N 2.79Å
603	A	92.1	Very high	93.3	Very high	90 Å²	90	103.9 Å²	103.9	74%	0.744	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-36.7	177.7	0	0	0	0	0	113	Q599	Q599-A603 VanDerWaalsContact O-CB 3.28Å; Q599-A603 WeakPolarHBondContact O-CB 3.35Å; Q599-A603 PolarHBondContact O-N 3.08Å
604	S	90.9	Very high	93.2	Very high	91 Å²	91	104 Å²	104	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-81.3	-18.2	177.4	55.3	0	0	0	0	114.1	Q600 R601 P606	Q600-S604 WeakPolarHBondContact O-CB 3.45Å; Q600-S604 PolarHBondContact O-N 3.29Å; Q600-S604 PolarHBondContact O-OG 3.39Å; R601-S604 WeakPolarHBondContact CA-OG 3.32Å; R601-S604 PolarHBondContact O-OG 2.68Å; S604-P606 WeakPolarHBondContact O-CD 3.35Å
605	K	91	Very high	93.3	Very high	131 Å²	131	101.4 Å²	101.4	57%	0.57	53%	0.529	S	S	*	.	S	Bend	trans	-71.8	121.5	179.3	-89.7	172.8	176.9	-168.1	0	110.5	R601 V602	R601-K605 WeakPolarHBondContact O-CB 3.44Å; R601-K605 WeakPolarHBondContact O-CD 3.43Å; R601-K605 WeakPolarHBondContact O-CG 3.16Å; R601-K605 PolarHBondContact O-N 2.93Å; R601-K605 VanDerWaalsContact O-N 3.11Å; V602-K605 PolarHBondContact O-N 2.79Å
606	P	92.8	Very high	93.4	Very high	57 Å²	57	102 Å²	102	37%	0.37	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-67	149.1	175.1	29.1	-34.5	0	0	0	110.6	S604 T610	S604-P606 WeakPolarHBondContact O-CD 3.35Å; P606-T610 HydrophobicContact CB-CG2 4.16Å
607	L	92.9	Very high	93.3	Very high	135 Å²	135	100.6 Å²	100.6	71%	0.707	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53.6	151.4	173.1	-64.4	172.9	0	0	0	111.2	L609 T610 R611	L607-L609 VanDerWaalsContact C-N 3.25Å; L607-L609 PolarHBondContact O-N 3.34Å; L607-T610 WeakPolarHBondContact O-CA 3.24Å; L607-T610 WeakPolarHBondContact O-CB 3.41Å; L607-T610 PolarHBondContact O-N 3.45Å; L607-R611 PolarHBondContact O-N 3.35Å
608	L	92.2	Very high	93.4	Very high	140 Å²	140	106.7 Å²	106.7	73%	0.733	55%	0.55	S	S	*	*	H	α-helix	trans	-55.6	-41.3	-179.1	-177.5	63.5	0	0	0	112.2	T610 R611 Q612	L608-T610 PolarHBondContact O-N 3.4Å; L608-R611 PolarHBondContact O-N 3.14Å; L608-Q612 WeakPolarHBondContact O-CB 3.36Å; L608-Q612 PolarHBondContact O-N 3.49Å
609	L	94.1	Very high	93.6	Very high	144 Å²	144	109.6 Å²	109.6	75%	0.754	56%	0.56	S	S	*	*	H	α-helix	trans	-61.7	-43.5	177.1	-176	61.8	0	0	0	111.7	L607 Q612 S613	L607-L609 VanDerWaalsContact C-N 3.25Å; L607-L609 PolarHBondContact O-N 3.34Å; L609-Q612 PolarHBondContact O-N 3.24Å; L609-S613 WeakPolarHBondContact O-CB 3.5Å; L609-S613 PolarHBondContact O-N 3.2Å
610	T	93.3	Very high	93.7	Very high	59 Å²	59	111.9 Å²	111.9	36%	0.362	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-41.1	175.8	-51.5	0	0	0	0	111.3	P606 L607 L608 S613 R614	P606-T610 HydrophobicContact CB-CG2 4.16Å; L607-T610 WeakPolarHBondContact O-CA 3.24Å; L607-T610 WeakPolarHBondContact O-CB 3.41Å; L607-T610 PolarHBondContact O-N 3.45Å; L608-T610 PolarHBondContact O-N 3.4Å; T610-S613 PolarHBondContact O-N 3.47Å; T610-R614 WeakPolarHBondContact O-CG 3.34Å; T610-R614 PolarHBondContact O-N 3.12Å
611	R	92.8	Very high	93.8	Very high	108 Å²	108	108.1 Å²	108.1	41%	0.408	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-48.3	175	-173.5	-178	-179.9	175.2	5.9	110.9	L607 L608 S613 R614 I615 D666	L607-R611 PolarHBondContact O-N 3.35Å; L608-R611 PolarHBondContact O-N 3.14Å; R611-S613 PolarHBondContact O-N 3.18Å; R611-R614 WeakPolarHBondContact O-CB 3.17Å; R611-R614 PolarHBondContact O-N 2.95Å; R611-I615 HydrophobicContact CG-CD1 4.24Å; R611-I615 WeakPolarHBondContact O-CG1 3.49Å; R611-I615 PolarHBondContact O-N 3.22Å; R611-D666 IonicContact CZ-OD2 3.35Å; R611-D666 IonicContact NH2-OD2 2.9Å; R611-D666 PolarHBondContact NH2-OD2 3.43Å
612	Q	94.6	Very high	93.9	Very high	102 Å²	102	104.9 Å²	104.9	48%	0.477	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-41.5	179.2	-173.1	61.8	11.6	0	0	111.6	L608 L609 R614 I615 V616	L608-Q612 WeakPolarHBondContact O-CB 3.36Å; L608-Q612 PolarHBondContact O-N 3.49Å; L609-Q612 PolarHBondContact O-N 3.24Å; Q612-R614 VanDerWaalsContact C-N 3.33Å; Q612-R614 PolarHBondContact O-N 3.44Å; Q612-I615 PolarHBondContact O-N 3.5Å; Q612-V616 HydrophobicContact CG-CG2 4.48Å; Q612-V616 WeakPolarHBondContact O-CG2 3.32Å; Q612-V616 PolarHBondContact O-N 2.92Å
613	S	95.1	Very high	94	Very high	76 Å²	76	102.9 Å²	102.9	53%	0.531	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-40.7	174.7	-171.5	0	0	0	0	112	L609 T610 R611 V616 A617	L609-S613 WeakPolarHBondContact O-CB 3.5Å; L609-S613 PolarHBondContact O-N 3.2Å; T610-S613 PolarHBondContact O-N 3.47Å; R611-S613 PolarHBondContact O-N 3.18Å; S613-V616 PolarHBondContact O-N 3.39Å; S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.15Å; S613-A617 PolarHBondContact O-N 3.31Å
614	R	94.3	Very high	94.2	Very high	160 Å²	160	105 Å²	105	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-63.3	-42.8	174.6	-74.9	175.4	-178.8	178.9	1.3	111.9	T610 R611 Q612 A617 R618	T610-R614 WeakPolarHBondContact O-CG 3.34Å; T610-R614 PolarHBondContact O-N 3.12Å; R611-R614 WeakPolarHBondContact O-CB 3.17Å; R611-R614 PolarHBondContact O-N 2.95Å; Q612-R614 VanDerWaalsContact C-N 3.33Å; Q612-R614 PolarHBondContact O-N 3.44Å; R614-A617 PolarHBondContact O-N 3.36Å; R614-R618 VanDerWaalsContact O-CB 3.3Å; R614-R618 WeakPolarHBondContact O-CB 3.39Å; R614-R618 PolarHBondContact O-N 3.08Å
615	I	94.6	Very high	94.2	Very high	65 Å²	65	105.8 Å²	105.8	33%	0.333	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-46.8	177.6	-67.2	166.9	0	0	0	110.8	R611 Q612 R618 K619	R611-I615 HydrophobicContact CG-CD1 4.24Å; R611-I615 WeakPolarHBondContact O-CG1 3.49Å; R611-I615 PolarHBondContact O-N 3.22Å; Q612-I615 PolarHBondContact O-N 3.5Å; I615-R618 PolarHBondContact O-N 3.08Å; I615-K619 HydrophobicContact CG2-CD 4.35Å; I615-K619 WeakPolarHBondContact O-CG 3.36Å; I615-K619 PolarHBondContact O-N 3.28Å
616	V	95.8	Very high	94.1	Very high	80 Å²	80	102.7 Å²	102.7	49%	0.485	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.3	178.2	172.7	0	0	0	0	110.8	Q612 S613 K619 R620	Q612-V616 HydrophobicContact CG-CG2 4.48Å; Q612-V616 WeakPolarHBondContact O-CG2 3.32Å; Q612-V616 PolarHBondContact O-N 2.92Å; S613-V616 PolarHBondContact O-N 3.39Å; V616-K619 PolarHBondContact O-N 3.03Å; V616-R620 VanDerWaalsContact O-CB 3.3Å; V616-R620 WeakPolarHBondContact O-CB 3.41Å; V616-R620 PolarHBondContact O-N 2.9Å
617	A	95.3	Very high	94	Very high	57 Å²	57	101.9 Å²	101.9	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-43.1	176.3	0	0	0	0	0	112	S613 R614 R620 A621	S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.15Å; S613-A617 PolarHBondContact O-N 3.31Å; R614-A617 PolarHBondContact O-N 3.36Å; A617-R620 PolarHBondContact O-N 3.35Å; A617-A621 WeakPolarHBondContact O-CB 3.35Å; A617-A621 PolarHBondContact O-N 2.86Å
618	R	96.3	Very high	94	Very high	169 Å²	169	99 Å²	99	64%	0.638	51%	0.505	S	S	*	.	H	α-helix	trans	-60.6	-52.1	175.5	-171.3	-173.4	120.4	169.2	5.8	111.3	R614 I615 R620 A621 E622	R614-R618 VanDerWaalsContact O-CB 3.3Å; R614-R618 WeakPolarHBondContact O-CB 3.39Å; R614-R618 PolarHBondContact O-N 3.08Å; I615-R618 PolarHBondContact O-N 3.08Å; R618-R620 VanDerWaalsContact C-N 3.27Å; R618-R620 PolarHBondContact O-N 3.04Å; R618-A621 WeakPolarHBondContact O-CA 3.21Å; R618-A621 WeakPolarHBondContact O-CB 3.32Å; R618-A621 PolarHBondContact O-N 3.48Å; R618-E622 HydrophobicContact CG-CG 4.48Å; R618-E622 IonicContact CZ-OE1 3.69Å; R618-E622 VanDerWaalsContact CZ-OE1 3.26Å; R618-E622 IonicContact NE-OE1 2.7Å; R618-E622 PolarHBondContact NE-OE1 2.9Å; R618-E622 IonicContact NE-OE2 3.91Å; R618-E622 IonicContact NH2-OE1 2.68Å; R618-E622 PolarHBondContact NH2-OE1 3.3Å; R618-E622 WeakPolarHBondContact O-CG 3.39Å; R618-E622 PolarHBondContact O-N 2.88Å
619	K	95.4	Very high	93.8	Very high	133 Å²	133	93.6 Å²	93.6	58%	0.578	48%	0.476	S	S	*	.	H	α-helix	trans	-58.8	-37.8	176.8	-74.4	-173.5	175.2	-171.2	0	112.5	I615 V616 A623	I615-K619 HydrophobicContact CG2-CD 4.35Å; I615-K619 WeakPolarHBondContact O-CG 3.36Å; I615-K619 PolarHBondContact O-N 3.28Å; V616-K619 PolarHBondContact O-N 3.03Å; K619-A623 VanDerWaalsContact O-CB 3.28Å; K619-A623 WeakPolarHBondContact O-CB 3.33Å; K619-A623 PolarHBondContact O-N 2.93Å
620	R	96.5	Very high	93.5	Very high	175 Å²	175	93.8 Å²	93.8	66%	0.66	47%	0.473	S	S	*	.	H	α-helix	trans	-67.9	-35.8	176.1	-168.9	-179.1	-174.8	103.2	-0.4	111.8	V616 A617 R618 K624	V616-R620 VanDerWaalsContact O-CB 3.3Å; V616-R620 WeakPolarHBondContact O-CB 3.41Å; V616-R620 PolarHBondContact O-N 2.9Å; A617-R620 PolarHBondContact O-N 3.35Å; R618-R620 VanDerWaalsContact C-N 3.27Å; R618-R620 PolarHBondContact O-N 3.04Å; R620-K624 VanDerWaalsContact O-CG 3.32Å; R620-K624 WeakPolarHBondContact O-CG 3.26Å; R620-K624 PolarHBondContact O-N 3.11Å; R620-K624 VanDerWaalsContact O-N 3.15Å
621	A	95.9	Very high	93.3	Very high	59 Å²	59	97.9 Å²	97.9	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-70.8	-45.2	174.6	0	0	0	0	0	111.6	A617 R618 K624 F625	A617-A621 WeakPolarHBondContact O-CB 3.35Å; A617-A621 PolarHBondContact O-N 2.86Å; R618-A621 WeakPolarHBondContact O-CA 3.21Å; R618-A621 WeakPolarHBondContact O-CB 3.32Å; R618-A621 PolarHBondContact O-N 3.48Å; A621-K624 WeakPolarHBondContact O-CB 3.41Å; A621-K624 PolarHBondContact O-N 3.44Å; A621-F625 WeakPolarHBondContact O-CB 3.44Å; A621-F625 PolarHBondContact O-N 2.95Å
622	E	94.3	Very high	93.2	Very high	74 Å²	74	95.8 Å²	95.8	35%	0.346	50%	0.499	S	S	.	.	H	α-helix	trans	-55.9	-51.5	173	-71.4	168.1	172.3	0	0	110.3	R618 K624 F625 D626	R618-E622 HydrophobicContact CG-CG 4.48Å; R618-E622 IonicContact CZ-OE1 3.69Å; R618-E622 VanDerWaalsContact CZ-OE1 3.26Å; R618-E622 IonicContact NE-OE1 2.7Å; R618-E622 PolarHBondContact NE-OE1 2.9Å; R618-E622 IonicContact NE-OE2 3.91Å; R618-E622 IonicContact NH2-OE1 2.68Å; R618-E622 PolarHBondContact NH2-OE1 3.3Å; R618-E622 WeakPolarHBondContact O-CG 3.39Å; R618-E622 PolarHBondContact O-N 2.88Å; E622-K624 VanDerWaalsContact C-N 3.3Å; E622-K624 PolarHBondContact O-N 2.84Å; E622-F625 CarbonylContact O-C 3.59Å; E622-F625 WeakPolarHBondContact O-CA 3.4Å; E622-F625 WeakPolarHBondContact O-CB 3.44Å; E622-F625 PolarHBondContact O-N 2.95Å; E622-D626 VanDerWaalsContact O-CG 3.28Å; E622-D626 PolarHBondContact O-N 3.45Å
623	A	93.4	Very high	92.8	Very high	56 Å²	56	94.2 Å²	94.2	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-34.8	178.5	0	0	0	0	0	113.7	K619 A627	K619-A623 VanDerWaalsContact O-CB 3.28Å; K619-A623 WeakPolarHBondContact O-CB 3.33Å; K619-A623 PolarHBondContact O-N 2.93Å; A623-A627 VanDerWaalsContact O-CB 3.27Å; A623-A627 WeakPolarHBondContact O-CB 3.41Å; A623-A627 PolarHBondContact O-N 3Å
624	K	95.6	Very high	92.2	Very high	134 Å²	134	94.8 Å²	94.8	58%	0.583	51%	0.506	S	S	*	.	H	α-helix	trans	-67.6	-39.1	173.1	-80.6	-178.8	175.6	-167.7	0	111.7	R620 A621 E622 S628	R620-K624 VanDerWaalsContact O-CG 3.32Å; R620-K624 WeakPolarHBondContact O-CG 3.26Å; R620-K624 PolarHBondContact O-N 3.11Å; R620-K624 VanDerWaalsContact O-N 3.15Å; A621-K624 WeakPolarHBondContact O-CB 3.41Å; A621-K624 PolarHBondContact O-N 3.44Å; E622-K624 VanDerWaalsContact C-N 3.3Å; E622-K624 PolarHBondContact O-N 2.84Å; K624-S628 WeakPolarHBondContact O-CB 3.49Å; K624-S628 PolarHBondContact O-N 3.28Å; K624-S628 PolarHBondContact O-OG 2.87Å
625	F	92	Very high	91.5	Very high	107 Å²	107	91.9 Å²	91.9	47%	0.469	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-50.4	176.7	174.2	-99.1	0	0	0	110.3	A621 E622 A627 S628 I629 L636	A621-F625 WeakPolarHBondContact O-CB 3.44Å; A621-F625 PolarHBondContact O-N 2.95Å; E622-F625 CarbonylContact O-C 3.59Å; E622-F625 WeakPolarHBondContact O-CA 3.4Å; E622-F625 WeakPolarHBondContact O-CB 3.44Å; E622-F625 PolarHBondContact O-N 2.95Å; F625-A627 VanDerWaalsContact C-N 3.33Å; F625-A627 PolarHBondContact O-N 2.99Å; F625-S628 WeakPolarHBondContact O-CA 3.29Å; F625-S628 WeakPolarHBondContact O-CB 3.44Å; F625-S628 PolarHBondContact O-N 3.37Å; F625-I629 HydrophobicContact CD1-CG1 4.25Å; F625-I629 HydrophobicContact CD2-CG1 4.4Å; F625-I629 HydrophobicContact CE1-CD1 4.5Å; F625-I629 HydrophobicContact CE1-CG1 3.87Å; F625-I629 HydrophobicContact CE2-CD1 4.07Å; F625-I629 HydrophobicContact CE2-CG1 4.02Å; F625-I629 HydrophobicContact CZ-CD1 3.9Å; F625-I629 HydrophobicContact CZ-CG1 3.74Å; F625-I629 WeakPolarHBondContact O-CG1 3.34Å; F625-I629 PolarHBondContact O-N 3.33Å; F625-L636 HydrophobicContact CE1-CD1 3.67Å; F625-L636 HydrophobicContact CE1-CD2 4.49Å; F625-L636 HydrophobicContact CZ-CD1 4.07Å
626	D	89.1	Confident	90.6	Very high	67 Å²	67	91.6 Å²	91.6	36%	0.358	50%	0.501	S	S	.	.	H	α-helix	trans	-57.7	-44.9	177.4	-64	-20.3	0	0	0	111.3	E622 S628 I629 Q630	E622-D626 VanDerWaalsContact O-CG 3.28Å; E622-D626 PolarHBondContact O-N 3.45Å; D626-S628 VanDerWaalsContact C-N 3.32Å; D626-S628 PolarHBondContact O-N 3.12Å; D626-I629 PolarHBondContact O-N 3.01Å; D626-Q630 WeakPolarHBondContact O-CB 3.49Å; D626-Q630 VanDerWaalsContact O-CG 3.31Å; D626-Q630 WeakPolarHBondContact O-CG 3.25Å; D626-Q630 PolarHBondContact O-N 2.73Å
627	A	91.1	Very high	89.7	Confident	40 Å²	40	93.8 Å²	93.8	33%	0.331	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-36.6	175.6	0	0	0	0	0	112.7	A623 F625 N631	A623-A627 VanDerWaalsContact O-CB 3.27Å; A623-A627 WeakPolarHBondContact O-CB 3.41Å; A623-A627 PolarHBondContact O-N 3Å; F625-A627 VanDerWaalsContact C-N 3.33Å; F625-A627 PolarHBondContact O-N 2.99Å; A627-N631 VanDerWaalsContact O-CB 3.3Å; A627-N631 WeakPolarHBondContact O-CB 3.39Å; A627-N631 PolarHBondContact O-N 3.09Å; A627-N631 PolarHBondContact O-ND2 3.48Å; A627-N631 VanDerWaalsContact O-ND2 3.12Å
628	S	92.1	Very high	88.5	Confident	75 Å²	75	95.7 Å²	95.7	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-68.9	-39.9	176.9	-57.4	0	0	0	0	111.9	K624 F625 D626 N631 A632	K624-S628 WeakPolarHBondContact O-CB 3.49Å; K624-S628 PolarHBondContact O-N 3.28Å; K624-S628 PolarHBondContact O-OG 2.87Å; F625-S628 WeakPolarHBondContact O-CA 3.29Å; F625-S628 WeakPolarHBondContact O-CB 3.44Å; F625-S628 PolarHBondContact O-N 3.37Å; D626-S628 VanDerWaalsContact C-N 3.32Å; D626-S628 PolarHBondContact O-N 3.12Å; S628-N631 PolarHBondContact O-N 3.33Å; S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 2.97Å; S628-A632 VanDerWaalsContact O-N 3.09Å
629	I	88.5	Confident	87.4	Confident	26 Å²	26	90.6 Å²	90.6	13%	0.133	49%	0.494	C	S	.	.	H	α-helix	trans	-65.2	-45.4	175.5	-67	-64.9	0	0	0	110.7	F625 D626 A632 G633 L634 L636 I639	F625-I629 HydrophobicContact CD1-CG1 4.25Å; F625-I629 HydrophobicContact CD2-CG1 4.4Å; F625-I629 HydrophobicContact CE1-CD1 4.5Å; F625-I629 HydrophobicContact CE1-CG1 3.87Å; F625-I629 HydrophobicContact CE2-CD1 4.07Å; F625-I629 HydrophobicContact CE2-CG1 4.02Å; F625-I629 HydrophobicContact CZ-CD1 3.9Å; F625-I629 HydrophobicContact CZ-CG1 3.74Å; F625-I629 WeakPolarHBondContact O-CG1 3.34Å; F625-I629 PolarHBondContact O-N 3.33Å; D626-I629 PolarHBondContact O-N 3.01Å; I629-A632 PolarHBondContact O-N 2.91Å; I629-G633 PolarHBondContact O-N 3.35Å; I629-L634 HydrophobicContact CG2-CB 4.17Å; I629-L634 WeakPolarHBondContact CG2-O 3.46Å; I629-L634 PolarHBondContact O-N 3.02Å; I629-L636 HydrophobicContact CG2-CB 4.49Å; I629-I639 HydrophobicContact CD1-CD1 4.3Å
630	Q	87.4	Confident	86.3	Confident	147 Å²	147	88 Å²	88	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-61.9	-43.9	175.2	-73.9	178.9	1.3	0	0	112.4	D626 A632 G633	D626-Q630 WeakPolarHBondContact O-CB 3.49Å; D626-Q630 VanDerWaalsContact O-CG 3.31Å; D626-Q630 WeakPolarHBondContact O-CG 3.25Å; D626-Q630 PolarHBondContact O-N 2.73Å; Q630-A632 PolarHBondContact O-N 3.42Å; Q630-G633 PolarHBondContact O-N 2.93Å
631	N	89.9	Confident	85	Confident	146 Å²	146	86 Å²	86	78%	0.781	48%	0.484	S	S	*	.	H	α-helix	trans	-65.1	-27.8	177.3	-73	-23.7	0	0	0	113	A627 S628 G633	A627-N631 VanDerWaalsContact O-CB 3.3Å; A627-N631 WeakPolarHBondContact O-CB 3.39Å; A627-N631 PolarHBondContact O-N 3.09Å; A627-N631 PolarHBondContact O-ND2 3.48Å; A627-N631 VanDerWaalsContact O-ND2 3.12Å; S628-N631 PolarHBondContact O-N 3.33Å; N631-G633 VanDerWaalsContact C-N 3.25Å
632	A	90.2	Very high	83.6	Confident	64 Å²	64	89.5 Å²	89.5	53%	0.529	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.7	173.6	0	0	0	0	0	113.3	S628 I629 Q630 L634	S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 2.97Å; S628-A632 VanDerWaalsContact O-N 3.09Å; I629-A632 PolarHBondContact O-N 2.91Å; Q630-A632 PolarHBondContact O-N 3.42Å; A632-L634 VanDerWaalsContact C-N 3.3Å; A632-L634 HydrophobicContact CB-CD1 4.13Å; A632-L634 HydrophobicContact CB-CG 4.16Å; A632-L634 PolarHBondContact O-N 2.85Å
633	G	85.8	Confident	82.1	Confident	68 Å²	68	88.9 Å²	88.9	70%	0.701	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	23.5	-178.4	0	0	0	0	0	113.9	I629 Q630 N631	I629-G633 PolarHBondContact O-N 3.35Å; Q630-G633 PolarHBondContact O-N 2.93Å; N631-G633 VanDerWaalsContact C-N 3.25Å
634	L	82.9	Confident	80.4	Confident	89 Å²	89	92.2 Å²	92.2	47%	0.466	50%	0.497	S	S	.	.			trans	-103.1	138.6	-179.3	-59.6	174.1	0	0	0	110.1	I629 A632 I639	I629-L634 HydrophobicContact CG2-CB 4.17Å; I629-L634 WeakPolarHBondContact CG2-O 3.46Å; I629-L634 PolarHBondContact O-N 3.02Å; A632-L634 VanDerWaalsContact C-N 3.3Å; A632-L634 HydrophobicContact CB-CD1 4.13Å; A632-L634 HydrophobicContact CB-CG 4.16Å; A632-L634 PolarHBondContact O-N 2.85Å; L634-I639 HydrophobicContact CB-CD1 4.09Å; L634-I639 HydrophobicContact CD1-CD1 4.23Å
635	N	80.2	Confident	78.6	Confident	98 Å²	98	92.6 Å²	92.6	52%	0.524	50%	0.501	S	S	.	.			trans	-88.8	128.7	169.1	-80.2	-44.3	0	0	0	109.9	D637 E638 I639	N635-D637 VanDerWaalsContact C-N 3.26Å; N635-D637 PolarHBondContact O-N 3.32Å; N635-E638 HydrophobicContact CB-CB 4.32Å; N635-E638 HydrophobicContact CB-CG 3.9Å; N635-E638 WeakPolarHBondContact CB-OE1 3.41Å; N635-E638 PolarHBondContact ND2-OE1 2.88Å; N635-E638 PolarHBondContact O-N 3.45Å; N635-I639 PolarHBondContact O-N 2.89Å
636	L	74.4	Confident	77	Confident	60 Å²	60	91.6 Å²	91.6	31%	0.314	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-35.9	-178.7	-170.8	63.6	0	0	0	112.1	F625 I629 E638 I639 I640	F625-L636 HydrophobicContact CE1-CD1 3.67Å; F625-L636 HydrophobicContact CE1-CD2 4.49Å; F625-L636 HydrophobicContact CZ-CD1 4.07Å; I629-L636 HydrophobicContact CG2-CB 4.49Å; L636-E638 VanDerWaalsContact C-N 3.35Å; L636-E638 PolarHBondContact O-N 3.26Å; L636-I639 PolarHBondContact O-N 3.33Å; L636-I640 HydrophobicContact CD2-CD1 4.49Å; L636-I640 HydrophobicContact CG-CD1 3.95Å; L636-I640 WeakPolarHBondContact O-CG1 3.47Å; L636-I640 PolarHBondContact O-N 3.15Å
637	D	76.6	Confident	75.3	Confident	125 Å²	125	93.1 Å²	93.1	67%	0.668	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-38.8	179.1	-61.9	-26.7	0	0	0	111.8	N635 I639 I640 E641	N635-D637 VanDerWaalsContact C-N 3.26Å; N635-D637 PolarHBondContact O-N 3.32Å; D637-I639 VanDerWaalsContact C-N 3.32Å; D637-I639 PolarHBondContact O-N 3.41Å; D637-I640 PolarHBondContact O-N 3.27Å; D637-E641 VanDerWaalsContact O-CB 3.32Å; D637-E641 WeakPolarHBondContact O-CB 3.2Å; D637-E641 PolarHBondContact O-N 3.45Å
638	E	71.8	Confident	73.6	Confident	97 Å²	97	97.7 Å²	97.7	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-68.7	-30.9	178.1	-66	174.7	-148.9	0	0	112.5	N635 L636 K642	N635-E638 HydrophobicContact CB-CB 4.32Å; N635-E638 HydrophobicContact CB-CG 3.9Å; N635-E638 WeakPolarHBondContact CB-OE1 3.41Å; N635-E638 PolarHBondContact ND2-OE1 2.88Å; N635-E638 PolarHBondContact O-N 3.45Å; L636-E638 VanDerWaalsContact C-N 3.35Å; L636-E638 PolarHBondContact O-N 3.26Å; E638-K642 WeakPolarHBondContact O-CB 3.26Å; E638-K642 WeakPolarHBondContact O-CG 3.15Å; E638-K642 PolarHBondContact O-N 3.15Å; E638-K642 VanDerWaalsContact O-N 3.14Å
639	I	71.5	Confident	71.8	Confident	63 Å²	63	102.3 Å²	102.3	32%	0.323	55%	0.546	S	S	.	.	H	α-helix	trans	-73.3	-44.5	176	-62.2	170.2	0	0	0	109.6	I629 L634 N635 L636 D637 E641 K642 C643	I629-I639 HydrophobicContact CD1-CD1 4.3Å; L634-I639 HydrophobicContact CB-CD1 4.09Å; L634-I639 HydrophobicContact CD1-CD1 4.23Å; N635-I639 PolarHBondContact O-N 2.89Å; L636-I639 PolarHBondContact O-N 3.33Å; D637-I639 VanDerWaalsContact C-N 3.32Å; D637-I639 PolarHBondContact O-N 3.41Å; I639-E641 VanDerWaalsContact C-N 3.35Å; I639-K642 PolarHBondContact O-N 3.3Å; I639-C643 WeakPolarHBondContact O-CB 2.77Å; I639-C643 PolarHBondContact O-N 3.1Å; I639-C643 PolarHBondContact O-SG 3.43Å
640	I	73.3	Confident	70	Confident	78 Å²	78	109.9 Å²	109.9	40%	0.4	58%	0.578	S	S	.	*	H	α-helix	trans	-63.7	-43.5	179.5	-68.5	168.2	0	0	0	110.3	L636 D637 C643 H644	L636-I640 HydrophobicContact CD2-CD1 4.49Å; L636-I640 HydrophobicContact CG-CD1 3.95Å; L636-I640 WeakPolarHBondContact O-CG1 3.47Å; L636-I640 PolarHBondContact O-N 3.15Å; D637-I640 PolarHBondContact O-N 3.27Å; I640-C643 PolarHBondContact O-N 3.05Å; I640-H644 PolarHBondContact O-CD2 3.35Å; I640-H644 PolarHBondContact O-N 2.81Å
641	E	68.4	Low	67.9	Low	132 Å²	132	108.4 Å²	108.4	62%	0.617	58%	0.579	S	S	*	*	H	α-helix	trans	-64.3	-42.7	178.2	-157.6	164.9	-150.2	0	0	111.5	D637 I639 C643 H644 E645	D637-E641 VanDerWaalsContact O-CB 3.32Å; D637-E641 WeakPolarHBondContact O-CB 3.2Å; D637-E641 PolarHBondContact O-N 3.45Å; I639-E641 VanDerWaalsContact C-N 3.35Å; E641-C643 PolarHBondContact O-N 3.3Å; E641-H644 PolarHBondContact O-N 3.02Å; E641-E645 PolarHBondContact O-N 3.18Å; E641-E645 VanDerWaalsContact O-N 3.12Å
642	K	66.7	Low	65.7	Low	133 Å²	133	109.5 Å²	109.5	58%	0.578	59%	0.585	S	S	*	*	H	α-helix	trans	-67.3	-33.4	173.2	-78	176.7	180	169.9	0	113.8	E638 I639 E645 T646	E638-K642 WeakPolarHBondContact O-CB 3.26Å; E638-K642 WeakPolarHBondContact O-CG 3.15Å; E638-K642 PolarHBondContact O-N 3.15Å; E638-K642 VanDerWaalsContact O-N 3.14Å; I639-K642 PolarHBondContact O-N 3.3Å; K642-E645 PolarHBondContact O-N 3.43Å; K642-T646 WeakPolarHBondContact O-CG2 3.35Å; K642-T646 PolarHBondContact O-N 3.46Å; K642-T646 PolarHBondContact O-OG1 3.42Å
643	C	63.4	Low	63.8	Low	61 Å²	61	111.4 Å²	111.4	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-41.8	175.2	-76	0	0	0	0	111	I639 I640 E641 E645 T646 D647	I639-C643 WeakPolarHBondContact O-CB 2.77Å; I639-C643 PolarHBondContact O-N 3.1Å; I639-C643 PolarHBondContact O-SG 3.43Å; I640-C643 PolarHBondContact O-N 3.05Å; E641-C643 PolarHBondContact O-N 3.3Å; C643-E645 PolarHBondContact O-N 3.37Å; C643-T646 PolarHBondContact O-N 3.45Å; C643-T646 PolarHBondContact O-OG1 3.27Å; C643-D647 PolarHBondContact O-N 3.08Å
644	H	58.6	Low	61.8	Low	127 Å²	127	117.2 Å²	117.2	59%	0.588	60%	0.6	S	S	*	*	H	α-helix	trans	-64.1	-36.1	175.2	-77	-61.9	0	0	0	112.9	I640 E641 T646	I640-H644 PolarHBondContact O-CD2 3.35Å; I640-H644 PolarHBondContact O-N 2.81Å; E641-H644 PolarHBondContact O-N 3.02Å; H644-T646 VanDerWaalsContact C-N 3.31Å; H644-T646 PolarHBondContact O-N 3.06Å
645	E	57.8	Low	60	Low	141 Å²	141	122.2 Å²	122.2	66%	0.659	62%	0.619	S	S	*	*	H	α-helix	trans	-68.5	-26.8	174.6	-72.2	-179.4	165.6	0	0	113.6	E641 K642 C643	E641-E645 PolarHBondContact O-N 3.18Å; E641-E645 VanDerWaalsContact O-N 3.12Å; K642-E645 PolarHBondContact O-N 3.43Å; C643-E645 PolarHBondContact O-N 3.37Å
646	T	56.8	Low	58	Low	86 Å²	86	123 Å²	123	53%	0.528	63%	0.632	S	S	.	*	H	α-helix	trans	-88.1	-21.5	-179.5	57.6	0	0	0	0	114.7	K642 C643 H644	K642-T646 WeakPolarHBondContact O-CG2 3.35Å; K642-T646 PolarHBondContact O-N 3.46Å; K642-T646 PolarHBondContact O-OG1 3.42Å; C643-T646 PolarHBondContact O-N 3.45Å; C643-T646 PolarHBondContact O-OG1 3.27Å; H644-T646 VanDerWaalsContact C-N 3.31Å; H644-T646 PolarHBondContact O-N 3.06Å
647	D	54.9	Low	56.3	Low	100 Å²	100	127.7 Å²	127.7	54%	0.535	65%	0.654	S	S	.	*	H	α-helix	trans	-77.9	-22.6	-178.9	-75.5	-23.3	0	0	0	112.5	C643 M649 K650	C643-D647 PolarHBondContact O-N 3.08Å; D647-M649 PolarHBondContact O-N 2.68Å; D647-K650 PolarHBondContact O-N 3.16Å
648	D	54.1	Low	54.4	Low	135 Å²	135	128.1 Å²	128.1	72%	0.722	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-11.1	177.4	-74	-20.1	0	0	0	114
649	M	54.4	Low	53	Low	173 Å²	173	132 Å²	132	85%	0.852	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	4.3	-179.8	-73	-69.3	-171.5	0	0	114.6	D647	D647-M649 PolarHBondContact O-N 2.68Å
650	K	50.9	Low	51.3	Low	184 Å²	184	134.4 Å²	134.4	80%	0.8	69%	0.694	S	S	*	*			trans	-131.1	43.5	-176.9	-75.3	-177.3	-179.6	170.2	0	114.3	D647	D647-K650 PolarHBondContact O-N 3.16Å
651	T	44.3	Very low	49.7	Very low	116 Å²	116	136.2 Å²	136.2	71%	0.712	71%	0.714	S	S	*	*			trans	-114.9	70	169.5	64	0	0	0	0	111.7
652	N	43.5	Very low	48.3	Very low	169 Å²	169	135.4 Å²	135.4	90%	0.904	72%	0.717	S	S	*	*			trans	-157.7	56.4	165.1	-98.8	-21.5	0	0	0	111.6
653	S	49.4	Very low	47.2	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	73%	0.729	S	S	*	*			trans	-168.4	100.4	168.2	163.4	0	0	0	0	112.1
654	K	44.1	Very low	46.2	Very low	190 Å²	190	139.9 Å²	139.9	83%	0.826	74%	0.744	S	S	*	*			trans	45.3	107.8	135.3	-60.3	174.1	179.9	170.6	0	117.9
655	K	44.9	Very low	45.5	Very low	195 Å²	195	144.2 Å²	144.2	85%	0.848	76%	0.756	S	S	*	*				174.4	128.9	99.7	-103.8	169.4	177.5	172	0	111	M657	K655-M657 PolarHBondContact O-N 3.32Å; K655-M657 VanDerWaalsContact O-N 3.09Å
656	S	37.7	Very low	45	Very low	115 Å²	115	141 Å²	141	80%	0.804	74%	0.743	S	S	*	*			trans	-49.5	105.8	164.1	51.8	0	0	0	0	111.5
657	M	38.5	Very low	44.8	Very low	158 Å²	158	141.6 Å²	141.6	78%	0.778	75%	0.749	S	S	*	*			trans	-134.3	103.5	151.9	-83.9	-158.7	74.9	0	0	107.4	K655 K659	K655-M657 PolarHBondContact O-N 3.32Å; K655-M657 VanDerWaalsContact O-N 3.09Å; M657-K659 VanDerWaalsContact C-N 3.26Å; M657-K659 PolarHBondContact O-N 3.38Å
658	T	36.5	Very low	44.6	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	76%	0.755	S	S	*	*			trans	-57.8	86.4	170.4	-50.8	0	0	0	0	109.2	V660	T658-V660 HydrophobicContact CG2-CG2 4Å
659	K	44.3	Very low	44.2	Very low	180 Å²	180	144.1 Å²	144.1	78%	0.783	76%	0.758	S	S	*	*			trans	-92.8	94.2	164.4	-80.4	-172.8	177.7	178.1	0	107.6	M657 S661	M657-K659 VanDerWaalsContact C-N 3.26Å; M657-K659 PolarHBondContact O-N 3.38Å; K659-S661 PolarHBondContact O-N 3.02Å
660	V	34.5	Very low	43.8	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.685	76%	0.756	S	S	*	*			trans	-68.1	83.2	164.1	179.3	0	0	0	0	107.2	T658 V662	T658-V660 HydrophobicContact CG2-CG2 4Å; V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CB 4.37Å; V660-V662 HydrophobicContact CG1-CG2 3.49Å; V660-V662 VanDerWaalsContact CG1-CG2 3.49Å; V660-V662 PolarHBondContact O-N 3.33Å
661	S	39.2	Very low	43.3	Very low	116 Å²	116	145.5 Å²	145.5	81%	0.811	76%	0.762	S	S	*	*			trans	-82.7	83.7	156.9	-97.7	0	0	0	0	106.9	K659 E663	K659-S661 PolarHBondContact O-N 3.02Å; S661-E663 VanDerWaalsContact C-N 3.31Å; S661-E663 PolarHBondContact O-N 3.29Å; S661-E663 VanDerWaalsContact O-N 3.16Å
662	V	39.2	Very low	43	Very low	115 Å²	115	143.6 Å²	143.6	70%	0.697	77%	0.765	S	S	*	*			trans	-75	96	159.6	169.7	0	0	0	0	105.5	V660 P664	V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CB 4.37Å; V660-V662 HydrophobicContact CG1-CG2 3.49Å; V660-V662 VanDerWaalsContact CG1-CG2 3.49Å; V660-V662 PolarHBondContact O-N 3.33Å; V662-P664 WeakPolarHBondContact O-CD 3.38Å
663	E	44.9	Very low	43.1	Very low	177 Å²	177	142.7 Å²	142.7	83%	0.827	76%	0.76	S	S	*	*			trans	-58.5	121.1	162.1	-151.5	174.6	-155.5	0	0	106.8	S661 Y665	S661-E663 VanDerWaalsContact C-N 3.31Å; S661-E663 PolarHBondContact O-N 3.29Å; S661-E663 VanDerWaalsContact O-N 3.16Å; E663-Y665 PolarHBondContact O-N 3.25Å
664	P	42.5	Very low	43	Very low	110 Å²	110	146.2 Å²	146.2	71%	0.714	77%	0.77	S	S	*	*			trans	-66.9	114.7	178.4	-9.7	23.9	0	0	0	107.2	V662 D666	V662-P664 WeakPolarHBondContact O-CD 3.38Å; P664-D666 PolarHBondContact O-N 3.41Å
665	Y	42.4	Very low	43.3	Very low	219 Å²	219	140.1 Å²	140.1	86%	0.859	76%	0.761	S	S	*	*			trans	-52	105.8	162.5	-164.2	-95.5	0	0	0	107	E663 P667	E663-Y665 PolarHBondContact O-N 3.25Å; Y665-P667 HydrophobicContact CE1-CB 4.47Å; Y665-P667 WeakPolarHBondContact O-CD 3.11Å
666	D	47.6	Very low	43	Very low	72 Å²	72	138.7 Å²	138.7	39%	0.385	76%	0.763	S	S	.	*			trans	-95.7	95.4	178.2	-159.8	-3.8	0	0	0	107.3	R611 P664 E668	R611-D666 IonicContact CZ-OD2 3.35Å; R611-D666 IonicContact NH2-OD2 2.9Å; R611-D666 PolarHBondContact NH2-OD2 3.43Å; P664-D666 PolarHBondContact O-N 3.41Å; D666-E668 PolarHBondContact O-N 2.75Å
667	P	52.6	Low	43.2	Very low	99 Å²	99	144.7 Å²	144.7	64%	0.643	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	1	-176.8	28.7	-35.6	0	0	0	113.5	Y665	Y665-P667 HydrophobicContact CE1-CB 4.47Å; Y665-P667 WeakPolarHBondContact O-CD 3.11Å
668	E	52	Low	43.4	Very low	143 Å²	143	144 Å²	144	67%	0.668	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-1.8	-174.9	-70.3	-173.1	168.5	0	0	115.1	D666 H670	D666-E668 PolarHBondContact O-N 2.75Å; E668-H670 VanDerWaalsContact C-N 3.33Å; E668-H670 PolarHBondContact O-N 3.31Å
669	N	45.2	Very low	43.7	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	79%	0.785	S	S	*	*	S	Bend	trans	-90.8	21.5	176.5	-96.9	-1.4	0	0	0	115
670	H	44.8	Very low	43.7	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.815	79%	0.785	S	S	*	*	S	Bend	trans	-120.3	38.1	176.1	-127.4	41.1	0	0	0	113.6	E668	E668-H670 VanDerWaalsContact C-N 3.33Å; E668-H670 PolarHBondContact O-N 3.31Å
671	F	41.4	Very low	44.3	Very low	210 Å²	210	144.4 Å²	144.4	92%	0.921	79%	0.791	S	S	*	*			trans	-135.5	83.1	166	-95.2	-87.5	0	0	0	109.1
672	G	37.6	Very low	44.6	Very low	75 Å²	75	146.1 Å²	146.1	77%	0.773	79%	0.789	S	S	*	*			trans	-174	49.4	-177.6	0	0	0	0	0	114
673	D	45.4	Very low	44.9	Very low	151 Å²	151	148.2 Å²	148.2	81%	0.807	80%	0.795	S	S	*	*			trans	-169.8	76.2	149.7	-134.5	-6.7	0	0	0	110.8
674	L	47.6	Very low	44.9	Very low	178 Å²	178	146.1 Å²	146.1	93%	0.932	79%	0.793	S	S	*	*			trans	-113.8	85.5	155	-73.5	179.1	0	0	0	106
675	G	49.8	Very low	45.1	Very low	62 Å²	62	148.9 Å²	148.9	64%	0.639	80%	0.799	S	S	*	*			trans	-60.4	141.6	-179.2	0	0	0	0	0	112.6	N677	G675-N677 PolarHBondContact O-N 3.23Å
676	N	39.9	Very low	45.4	Very low	164 Å²	164	143.1 Å²	143.1	88%	0.877	79%	0.794	S	S	*	*			trans	-53.1	117.1	159	-70.1	-42.9	0	0	0	110.2
677	N	40.3	Very low	45.1	Very low	241 Å²	241	149.5 Å²	149.5	100%	1.289	83%	0.831	S	S	*	*			trans	-166.6	0	139.4	-94	-25.2	0	0	0	109.8	G675	G675-N677 PolarHBondContact O-N 3.23Å

Retrieved 677 of 677 residues in 154.2 ms (Link to these results)

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