A0A5K4FBY8_SCHMA Loading...

PRKCSH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 655 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	49	Very low	63	Low	202 Å²	202	140.4 Å²	140.4	100%	0.995	68%	0.681	S	S	*	*				0	-52.8	0	-70	-70.3	-164.6	0	0	113	K3 Y4	M1-K3 PolarHBondContact O-N 3.14Å; M1-Y4 PolarHBondContact O-N 3.22Å
2	C	58.1	Low	62.4	Low	110 Å²	110	133.2 Å²	133.2	74%	0.743	65%	0.654	S	S	*	*	H	α-helix	trans	-65.3	-32.9	-172.6	-139.3	0	0	0	0	116	Y4	C2-Y4 PolarHBondContact O-N 3.19Å
3	K	63.4	Low	61.3	Low	185 Å²	185	133.2 Å²	133.2	80%	0.804	65%	0.649	S	S	*	*	H	α-helix	trans	-69.7	-27.5	-179.4	-71	-174.1	177.1	-178.2	0	114.5	M1	M1-K3 PolarHBondContact O-N 3.14Å
4	Y	63.1	Low	60.6	Low	192 Å²	192	127.6 Å²	127.6	75%	0.753	64%	0.635	S	S	*	*	H	α-helix	trans	-80.8	-30.1	-178.8	-73.2	-77.6	0	0	0	112.7	M1 C2 Y8	M1-Y4 PolarHBondContact O-N 3.22Å; C2-Y4 PolarHBondContact O-N 3.19Å; Y4-Y8 PolarHBondContact O-N 3.07Å
5	F	63	Low	59.9	Low	144 Å²	144	126.7 Å²	126.7	63%	0.632	63%	0.632	S	S	*	*	H	α-helix	trans	-67.3	-37.8	176	-97.9	-85.8	0	0	0	112.8	Y9	F5-Y9 PolarHBondContact O-N 3.29Å; F5-Y9 VanDerWaalsContact O-N 3.1Å
6	L	63.6	Low	58.8	Low	121 Å²	121	123.6 Å²	123.6	63%	0.634	63%	0.626	S	S	*	*	H	α-helix	trans	-69.1	-40.2	178.6	-112.8	154.3	0	0	0	112.2	Y9 V10	L6-Y9 PolarHBondContact O-N 2.99Å; L6-V10 WeakPolarHBondContact O-CG2 3.33Å; L6-V10 PolarHBondContact O-N 3.26Å
7	A	70.2	Confident	57.7	Low	60 Å²	60	120.9 Å²	120.9	50%	0.496	62%	0.617	S	S	.	*	H	α-helix	trans	-64.9	-40.3	176.5	0	0	0	0	0	112	V10 L11	A7-V10 PolarHBondContact O-N 3.21Å; A7-L11 WeakPolarHBondContact O-CB 3.49Å; A7-L11 PolarHBondContact O-N 3.1Å
8	Y	70	Confident	56.9	Low	165 Å²	165	119.3 Å²	119.3	65%	0.647	62%	0.618	S	S	*	*	H	α-helix	trans	-66.9	-39.3	177.5	-160.6	-96.2	0	0	0	111.9	Y4 L11 C12	Y4-Y8 PolarHBondContact O-N 3.07Å; Y8-L11 PolarHBondContact O-N 3.33Å; Y8-C12 WeakPolarHBondContact CE1-SG 3.4Å; Y8-C12 VanDerWaalsContact O-CB 3.26Å; Y8-C12 WeakPolarHBondContact O-CB 3.42Å; Y8-C12 PolarHBondContact O-N 3.2Å; Y8-C12 PolarHBondContact O-SG 3.48Å; Y8-C12 VanDerWaalsContact O-SG 3.37Å
9	Y	60.4	Low	55.8	Low	156 Å²	156	118.1 Å²	118.1	61%	0.612	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-41	175.1	-104.6	-85.8	0	0	0	112.7	F5 L6 F13	F5-Y9 PolarHBondContact O-N 3.29Å; F5-Y9 VanDerWaalsContact O-N 3.1Å; L6-Y9 PolarHBondContact O-N 2.99Å; Y9-F13 WeakPolarHBondContact O-CB 3.31Å; Y9-F13 PolarHBondContact O-N 3.36Å
10	V	71	Confident	54.8	Low	95 Å²	95	119.8 Å²	119.8	58%	0.576	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-39.4	177.8	174.8	0	0	0	0	111.4	L6 A7 F13 A14	L6-V10 WeakPolarHBondContact O-CG2 3.33Å; L6-V10 PolarHBondContact O-N 3.26Å; A7-V10 PolarHBondContact O-N 3.21Å; V10-F13 PolarHBondContact O-N 3Å; V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.24Å
11	L	61.5	Low	53.9	Low	114 Å²	114	121.3 Å²	121.3	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-41.8	176.7	-148.3	89.1	0	0	0	111.3	A7 Y8 A14 I15	A7-L11 WeakPolarHBondContact O-CB 3.49Å; A7-L11 PolarHBondContact O-N 3.1Å; Y8-L11 PolarHBondContact O-N 3.33Å; L11-A14 PolarHBondContact O-N 3.46Å; L11-I15 HydrophobicContact CD2-CD1 4.27Å; L11-I15 HydrophobicContact CG-CD1 4.3Å; L11-I15 WeakPolarHBondContact O-CD1 3.46Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.93Å
12	C	55.9	Low	53.3	Low	54 Å²	54	116.1 Å²	116.1	37%	0.365	62%	0.619	S	S	.	*	H	α-helix	trans	-65.7	-36.6	174.1	-77	0	0	0	0	112.3	Y8 S16	Y8-C12 WeakPolarHBondContact CE1-SG 3.4Å; Y8-C12 VanDerWaalsContact O-CB 3.26Å; Y8-C12 WeakPolarHBondContact O-CB 3.42Å; Y8-C12 PolarHBondContact O-N 3.2Å; Y8-C12 PolarHBondContact O-SG 3.48Å; Y8-C12 VanDerWaalsContact O-SG 3.37Å; C12-S16 VanDerWaalsContact O-CB 3.26Å; C12-S16 WeakPolarHBondContact O-CB 3.37Å; C12-S16 PolarHBondContact O-N 3.42Å; C12-S16 PolarHBondContact O-OG 2.92Å
13	F	47.2	Very low	52.2	Low	133 Å²	133	120.6 Å²	120.6	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-66.3	-40.6	172.3	-113.1	-89.6	0	0	0	111.9	Y9 V10 S16 V17	Y9-F13 WeakPolarHBondContact O-CB 3.31Å; Y9-F13 PolarHBondContact O-N 3.36Å; V10-F13 PolarHBondContact O-N 3Å; F13-S16 PolarHBondContact O-N 2.91Å; F13-S16 PolarHBondContact O-OG 3.31Å; F13-V17 HydrophobicContact CD1-CG2 4Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.4Å; F13-V17 WeakPolarHBondContact O-CG2 3.14Å; F13-V17 PolarHBondContact O-N 3.04Å
14	A	52.6	Low	51	Low	55 Å²	55	120.2 Å²	120.2	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-66	-39.9	177.4	0	0	0	0	0	111.7	V10 L11 S18	V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.24Å; L11-A14 PolarHBondContact O-N 3.46Å; A14-S18 WeakPolarHBondContact O-CB 3.42Å; A14-S18 PolarHBondContact O-N 3.44Å; A14-S18 PolarHBondContact O-OG 3.11Å
15	I	49.3	Very low	49.9	Very low	114 Å²	114	116 Å²	116	59%	0.585	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-35.6	178.1	-62.6	163.9	0	0	0	111.2	L11 P19	L11-I15 HydrophobicContact CD2-CD1 4.27Å; L11-I15 HydrophobicContact CG-CD1 4.3Å; L11-I15 WeakPolarHBondContact O-CD1 3.46Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.93Å; I15-P19 WeakPolarHBondContact O-CD 3.49Å
16	S	42.2	Very low	49.1	Very low	78 Å²	78	113.7 Å²	113.7	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-79.9	-24	179.2	69.8	0	0	0	0	114.3	C12 F13 P19	C12-S16 VanDerWaalsContact O-CB 3.26Å; C12-S16 WeakPolarHBondContact O-CB 3.37Å; C12-S16 PolarHBondContact O-N 3.42Å; C12-S16 PolarHBondContact O-OG 2.92Å; F13-S16 PolarHBondContact O-N 2.91Å; F13-S16 PolarHBondContact O-OG 3.31Å; S16-P19 VanDerWaalsContact O-CD 3.29Å; S16-P19 WeakPolarHBondContact O-CD 3.49Å
17	V	40	Very low	48.8	Very low	77 Å²	77	114.1 Å²	114.1	47%	0.467	62%	0.62	S	S	.	*	H	α-helix	trans	-83.9	-22.7	176.1	174.7	0	0	0	0	112	F13 P19 L20	F13-V17 HydrophobicContact CD1-CG2 4Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.4Å; F13-V17 WeakPolarHBondContact O-CG2 3.14Å; F13-V17 PolarHBondContact O-N 3.04Å; V17-P19 VanDerWaalsContact C-CD 3.49Å; V17-L20 PolarHBondContact O-N 3.04Å
18	S	43.9	Very low	48.7	Very low	92 Å²	92	116 Å²	116	64%	0.643	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-27.1	-177.7	-65.5	0	0	0	0	116.1	A14	A14-S18 WeakPolarHBondContact O-CB 3.42Å; A14-S18 PolarHBondContact O-N 3.44Å; A14-S18 PolarHBondContact O-OG 3.11Å
19	P	36.7	Very low	48.9	Very low	97 Å²	97	110.7 Å²	110.7	63%	0.63	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-7.3	175.2	-4.2	23.5	0	0	0	114.3	I15 S16 V17	I15-P19 WeakPolarHBondContact O-CD 3.49Å; S16-P19 VanDerWaalsContact O-CD 3.29Å; S16-P19 WeakPolarHBondContact O-CD 3.49Å; V17-P19 VanDerWaalsContact C-CD 3.49Å
20	L	34.7	Very low	49.8	Very low	152 Å²	152	108.5 Å²	108.5	80%	0.796	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-12.8	-175	-148.6	76.8	0	0	0	113.9	V17 S22	V17-L20 PolarHBondContact O-N 3.04Å; L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 2.67Å
21	L	35.5	Very low	50.3	Low	152 Å²	152	108.5 Å²	108.5	80%	0.796	59%	0.589	S	S	*	*	S	Bend	trans	-97	65.6	162.9	-74.3	157.9	0	0	0	107.8	K23	L21-K23 PolarHBondContact O-N 3.09Å
22	S	38.1	Very low	51.3	Low	93 Å²	93	108.2 Å²	108.2	65%	0.65	59%	0.587	S	S	*	*			trans	-49.7	112	158	56.3	0	0	0	0	106.3	L20 E24	L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 2.67Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.88Å
23	K	34.5	Very low	52.6	Low	203 Å²	203	110 Å²	110	88%	0.883	59%	0.59	S	S	*	*			trans	-46.2	96.2	171.3	-86.7	173.8	168.9	174.3	0	108.5	L21 S25	L21-K23 PolarHBondContact O-N 3.09Å; K23-S25 PolarHBondContact O-N 3.28Å
24	E	37.4	Very low	54.2	Low	178 Å²	178	112.3 Å²	112.3	83%	0.832	60%	0.603	S	S	*	*			trans	-65.5	96.1	149.6	-76.1	-176.2	167.7	0	0	104	S22 T26	S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.88Å; E24-T26 PolarHBondContact O-N 2.82Å
25	S	39.9	Very low	55.6	Low	102 Å²	102	117.2 Å²	117.2	71%	0.713	61%	0.609	S	S	*	*			trans	-53.7	115.8	166.4	54.4	0	0	0	0	106.5	K23 K27	K23-S25 PolarHBondContact O-N 3.28Å; S25-K27 PolarHBondContact O-N 3.29Å
26	T	46.6	Very low	57.4	Low	97 Å²	97	112.1 Å²	112.1	60%	0.595	58%	0.584	S	S	*	*			trans	-57.4	108.5	175.4	45.2	0	0	0	0	107.5	E24 Y28 P211	E24-T26 PolarHBondContact O-N 2.82Å; T26-Y28 PolarHBondContact O-N 3.24Å; T26-P211 WeakPolarHBondContact O-CB 3.29Å; T26-P211 WeakPolarHBondContact O-CG 3.2Å
27	K	57.8	Low	59.4	Low	130 Å²	130	110.4 Å²	110.4	57%	0.565	57%	0.57	S	S	*	*	S	Bend	trans	-62.9	-22.7	-177.9	-175.7	178.4	174.2	-160.1	0	112.2	S25 P211 H212	S25-K27 PolarHBondContact O-N 3.29Å; K27-P211 CarbonylContact O-C 3.51Å; K27-P211 VanDerWaalsContact O-CA 3.24Å; K27-P211 WeakPolarHBondContact O-CA 3.23Å; K27-H212 PolarHBondContact O-N 3.48Å
28	Y	68.3	Low	61.3	Low	98 Å²	98	108.5 Å²	108.5	38%	0.384	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.9	140.4	-178.1	-57.5	-82.6	0	0	0	110.5	T26 H212 I214	T26-Y28 PolarHBondContact O-N 3.24Å; Y28-H212 CarbonylContact C-O 3.6Å; Y28-H212 WeakPolarHBondContact CA-O 3.36Å; Y28-H212 WeakPolarHBondContact CB-O 3.45Å; Y28-H212 HydrophobicContact CD1-CB 3.6Å; Y28-H212 HydrophobicContact CE1-CB 3.82Å; Y28-I214 HydrophobicContact CD1-CD1 3.87Å; Y28-I214 HydrophobicContact CD1-CG1 3.99Å; Y28-I214 HydrophobicContact CG-CD1 3.81Å; Y28-I214 HydrophobicContact CG-CG1 4.27Å
29	N	74.6	Confident	62.9	Low	54 Å²	54	106.3 Å²	106.3	29%	0.289	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140	162.6	-66.9	-38.4	0	0	0	108	F31 P211 H212 D213 I214	N29-F31 HydrophobicContact CB-CD2 4.26Å; N29-F31 HydrophobicContact CB-CE2 3.57Å; N29-F31 HydrophobicContact CB-CZ 4.13Å; N29-P211 HydrophobicContact CB-CB 4.33Å; N29-P211 WeakPolarHBondContact OD1-CB 3.15Å; N29-P211 WeakPolarHBondContact OD1-CG 3.21Å; N29-H212 PolarHBondContact N-O 3.5Å; N29-D213 VanDerWaalsContact CB-OD1 3.3Å; N29-D213 WeakPolarHBondContact CB-OD1 2.92Å; N29-D213 PolarHBondContact ND2-OD1 3.38Å; N29-I214 PolarHBondContact O-N 3.46Å
30	L	78.8	Confident	64.3	Low	111 Å²	111	108 Å²	108	58%	0.581	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.4	175.6	-173.1	71.2	0	0	0	109.4	I32 I214 C216	L30-I32 HydrophobicContact CG-CG1 4.48Å; L30-I214 HydrophobicContact CD1-CB 3.87Å; L30-I214 HydrophobicContact CD1-CG2 3.73Å; L30-C216 WeakPolarHBondContact CD1-SG 3.11Å
31	F	80.5	Confident	65.1	Low	94 Å²	94	108.8 Å²	108.8	41%	0.412	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.5	173.3	-65.5	-81.1	0	0	0	109.2	N29 D213 I214 T215 C216	N29-F31 HydrophobicContact CB-CD2 4.26Å; N29-F31 HydrophobicContact CB-CE2 3.57Å; N29-F31 HydrophobicContact CB-CZ 4.13Å; F31-D213 HydrophobicContact CD2-CB 3.99Å; F31-D213 HydrophobicContact CE2-CB 3.83Å; F31-D213 VanDerWaalsContact CE2-CG 3.42Å; F31-D213 WeakPolarHBondContact CE2-OD1 3.42Å; F31-I214 PolarHBondContact N-O 3.46Å; F31-T215 CarbonylContact O-C 3.59Å; F31-T215 WeakPolarHBondContact O-CA 3.24Å; F31-C216 PolarHBondContact O-N 3.17Å
32	I	83.7	Confident	65.7	Low	109 Å²	109	107.2 Å²	107.2	56%	0.559	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.5	171.6	-57.3	175.8	0	0	0	107.2	L30 F56 C216	L30-I32 HydrophobicContact CG-CG1 4.48Å; I32-F56 HydrophobicContact CG2-CD1 4.13Å; I32-F56 HydrophobicContact CG2-CE1 3.57Å; I32-F56 HydrophobicContact CG2-CZ 4.38Å; I32-C216 WeakPolarHBondContact CA-O 3.34Å
33	E	83.2	Confident	66.3	Low	90 Å²	90	111.4 Å²	111.4	42%	0.421	55%	0.548	S	S	.	.			trans	-80.2	139.5	177.6	-73.1	-70.2	167.6	0	0	110.3	R35 T215 C216 H217 P218	E33-R35 VanDerWaalsContact C-N 3.25Å; E33-R35 PolarHBondContact O-N 3.05Å; E33-T215 HydrophobicContact CG-CG2 3.59Å; E33-C216 PolarHBondContact N-O 3.24Å; E33-H217 WeakPolarHBondContact CB-CE1 3.08Å; E33-H217 VanDerWaalsContact CB-ND1 3.32Å; E33-H217 WeakPolarHBondContact CB-ND1 3.3Å; E33-P218 WeakPolarHBondContact O-CD 3.44Å
34	E	79.6	Confident	67.4	Low	183 Å²	183	105.5 Å²	105.5	86%	0.855	54%	0.537	S	S	*	.	S	Bend	trans	-72.2	-23	179	-65.3	-174.5	172.5	0	0	112.5	A36	E34-A36 PolarHBondContact O-N 2.81Å
35	R	83.2	Confident	69	Low	158 Å²	158	98.4 Å²	98.4	60%	0.596	51%	0.511	S	S	*	.	S	Bend	trans	-75.6	119.8	-175.2	-164.3	172.1	-170.2	145.9	1.3	111	E33 H217 Y228	E33-R35 VanDerWaalsContact C-N 3.25Å; E33-R35 PolarHBondContact O-N 3.05Å; R35-H217 PolarHBondContact O-ND1 3.25Å; R35-Y228 WeakPolarHBondContact CA-OH 3.48Å
36	A	85.8	Confident	70.8	Confident	7 Å²	7	97.2 Å²	97.2	6%	0.058	50%	0.499	C	S	.	.			trans	-73.6	148.7	178.2	0	0	0	0	0	112.8	E34 P218 L220 Y225 Y228	E34-A36 PolarHBondContact O-N 2.81Å; A36-P218 CarbonylContact C-O 3.59Å; A36-P218 WeakPolarHBondContact CA-O 3.4Å; A36-P218 HydrophobicContact CB-CB 4.47Å; A36-P218 HydrophobicContact CB-CG 4.07Å; A36-P218 WeakPolarHBondContact CB-O 3.43Å; A36-L220 HydrophobicContact CB-CD1 3.54Å; A36-L220 HydrophobicContact CB-CG 3.82Å; A36-Y225 WeakPolarHBondContact O-CE2 3.14Å; A36-Y228 HydrophobicContact CB-CD1 4.04Å; A36-Y228 HydrophobicContact CB-CE1 3.66Å; A36-Y228 HydrophobicContact CB-CE2 4.41Å; A36-Y228 PolarHBondContact N-OH 3.49Å
37	V	84.7	Confident	72.5	Confident	41 Å²	41	95.7 Å²	95.7	25%	0.248	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	158.8	177.2	-64.1	0	0	0	0	111.1	H217 P218 T219 L220	V37-H217 HydrophobicContact CB-CB 4.2Å; V37-H217 HydrophobicContact CG1-CB 3.65Å; V37-H217 HydrophobicContact CG2-CB 3.57Å; V37-P218 PolarHBondContact N-O 3.27Å; V37-T219 HydrophobicContact CG2-CG2 4.04Å; V37-T219 CarbonylContact O-C 3.41Å; V37-T219 WeakPolarHBondContact O-CA 3.31Å; V37-L220 PolarHBondContact O-N 3.33Å
38	L	79.7	Confident	73.6	Confident	37 Å²	37	92.8 Å²	92.8	19%	0.194	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.4	174.5	-163	74.9	0	0	0	109.7	K40 Y225	L38-K40 HydrophobicContact CB-CG 4.18Å; L38-K40 HydrophobicContact CD2-CD 4.14Å; L38-K40 HydrophobicContact CD2-CG 3.75Å; L38-K40 HydrophobicContact CG-CG 4.17Å; L38-K40 PolarHBondContact O-N 2.83Å; L38-Y225 HydrophobicContact CB-CD1 4.27Å; L38-Y225 HydrophobicContact CB-CD2 4.41Å; L38-Y225 HydrophobicContact CB-CG 4.19Å; L38-Y225 VanDerWaalsContact CD1-CB 3.48Å; L38-Y225 HydrophobicContact CD1-CD1 3.62Å; L38-Y225 HydrophobicContact CD1-CG 3.63Å
39	D	78.6	Confident	74.1	Confident	46 Å²	46	94 Å²	94	25%	0.246	49%	0.488	C	S	.	.			trans	-65.1	81.1	170	-171.6	13.6	0	0	0	110.8	K55 L220 R636	D39-K55 IonicContact OD1-NZ 3.62Å; D39-K55 PolarHBondContact OD1-NZ 3.24Å; D39-K55 IonicContact OD2-NZ 3.49Å; D39-K55 PolarHBondContact OD2-NZ 3.06Å; D39-L220 PolarHBondContact N-O 3.2Å; D39-R636 IonicContact OD2-NH1 2.75Å
40	K	65.2	Low	74.2	Confident	132 Å²	132	93.3 Å²	93.3	57%	0.574	49%	0.488	S	S	*	.			trans	-102.7	134	174.2	-69.2	-175.1	-179	179.7	0	109.9	L38 N42	L38-K40 HydrophobicContact CB-CG 4.18Å; L38-K40 HydrophobicContact CD2-CD 4.14Å; L38-K40 HydrophobicContact CD2-CG 3.75Å; L38-K40 HydrophobicContact CG-CG 4.17Å; L38-K40 PolarHBondContact O-N 2.83Å; K40-N42 VanDerWaalsContact C-N 3.31Å; K40-N42 PolarHBondContact O-N 3.05Å
41	L	51.7	Low	73.8	Confident	169 Å²	169	98.8 Å²	98.8	89%	0.885	51%	0.507	S	S	*	.			trans	-72.3	83.1	167.3	-73.2	149.5	0	0	0	108.7
42	N	48.7	Very low	73.4	Confident	120 Å²	120	99.5 Å²	99.5	64%	0.642	52%	0.524	S	S	*	.			trans	-105.8	136.2	167.4	-78.5	7.3	0	0	0	109	K40 A44	K40-N42 VanDerWaalsContact C-N 3.31Å; K40-N42 PolarHBondContact O-N 3.05Å; N42-A44 PolarHBondContact O-N 3.39Å; N42-A44 VanDerWaalsContact O-N 3.07Å
43	D	49.5	Very low	73.1	Confident	181 Å²	181	96.8 Å²	96.8	97%	0.968	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.1	-170	-68.8	-39.4	0	0	0	115.3
44	A	59	Low	73	Confident	79 Å²	79	96 Å²	96	65%	0.653	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	9.9	-175.1	0	0	0	0	0	114.9	N42 W60	N42-A44 PolarHBondContact O-N 3.39Å; N42-A44 VanDerWaalsContact O-N 3.07Å; A44-W60 VanDerWaalsContact O-CZ3 3.3Å; A44-W60 WeakPolarHBondContact O-CZ3 3.3Å
45	G	69.2	Low	73.2	Confident	29 Å²	29	89.3 Å²	89.3	30%	0.299	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.7	-177.9	0	0	0	0	0	114.1	C58	G45-C58 CarbonylContact C-O 3.59Å; G45-C58 WeakPolarHBondContact CA-O 3.46Å
46	V	79	Confident	73.3	Confident	76 Å²	76	83.4 Å²	83.4	46%	0.461	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142	177.4	167.4	0	0	0	0	110.2	V48 C58 W60	V46-V48 HydrophobicContact CG1-CG2 4.23Å; V46-C58 PolarHBondContact N-O 3.3Å; V46-C58 PolarHBondContact O-N 3.15Å; V46-W60 HydrophobicContact CB-CH2 4.03Å; V46-W60 HydrophobicContact CB-CZ2 4.45Å; V46-W60 HydrophobicContact CG2-CH2 3.6Å; V46-W60 HydrophobicContact CG2-CZ2 4.26Å
47	N	81.1	Confident	73.3	Confident	65 Å²	65	84.5 Å²	84.5	35%	0.348	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.7	174.5	-70.4	-48.1	0	0	0	110.6	K55 F56	N47-K55 WeakPolarHBondContact OD1-CE 3.23Å; N47-F56 CarbonylContact C-O 3.44Å; N47-F56 WeakPolarHBondContact CA-O 3.34Å
48	V	80.9	Confident	73.3	Confident	70 Å²	70	82.9 Å²	82.9	42%	0.424	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.2	179.6	-173	0	0	0	0	109.4	V46 F56	V46-V48 HydrophobicContact CG1-CG2 4.23Å; V48-F56 PolarHBondContact N-O 3.24Å; V48-F56 PolarHBondContact O-N 3.03Å
49	F	80.3	Confident	73.5	Confident	122 Å²	122	83.6 Å²	83.6	54%	0.535	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.6	178.9	-64.3	-94.6	0	0	0	110.8	Q54 K55	F49-Q54 CarbonylContact C-O 3.49Å; F49-Q54 WeakPolarHBondContact CA-O 3.45Å; F49-K55 HydrophobicContact CD1-CB 3.83Å; F49-K55 HydrophobicContact CD1-CG 4.08Å; F49-K55 HydrophobicContact CE1-CB 3.61Å; F49-K55 HydrophobicContact CE1-CD 3.92Å; F49-K55 HydrophobicContact CE1-CG 3.59Å; F49-K55 HydrophobicContact CZ-CB 4.38Å; F49-K55 HydrophobicContact CZ-CD 3.94Å; F49-K55 HydrophobicContact CZ-CG 3.85Å
50	S	76.8	Confident	73.5	Confident	41 Å²	41	86.7 Å²	86.7	29%	0.287	48%	0.48	S	S	.	.			trans	-72.3	169.5	171.1	74.3	0	0	0	0	111.7	S52 G53 Q54	S50-S52 PolarHBondContact O-N 3.09Å; S50-S52 VanDerWaalsContact O-N 3.16Å; S50-S52 PolarHBondContact OG-N 3.24Å; S50-S52 PolarHBondContact OG-OG 3.36Å; S50-G53 PolarHBondContact O-N 3.02Å; S50-G53 PolarHBondContact OG-N 3.41Å; S50-Q54 PolarHBondContact N-O 3.47Å; S50-Q54 WeakPolarHBondContact OG-CB 3.42Å; S50-Q54 PolarHBondContact OG-N 2.76Å; S50-Q54 VanDerWaalsContact OG-N 3.12Å
51	K	69.1	Low	73.4	Confident	225 Å²	225	83.1 Å²	83.1	98%	0.978	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.7	171.1	-172.6	-179.7	177.1	-175.9	0	113.5	G53	K51-G53 VanDerWaalsContact C-N 3.33Å
52	S	72.3	Confident	73.4	Confident	110 Å²	110	81.5 Å²	81.5	77%	0.769	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.2	176.7	57.5	0	0	0	0	113.7	S50 Q54	S50-S52 PolarHBondContact O-N 3.09Å; S50-S52 VanDerWaalsContact O-N 3.16Å; S50-S52 PolarHBondContact OG-N 3.24Å; S50-S52 PolarHBondContact OG-OG 3.36Å; S52-Q54 VanDerWaalsContact C-N 3.31Å
53	G	76.6	Confident	73.2	Confident	51 Å²	51	81.7 Å²	81.7	53%	0.526	48%	0.478	S	S	.	.			trans	81.1	5.6	-177.2	0	0	0	0	0	114.3	S50 K51 K55	S50-G53 PolarHBondContact O-N 3.02Å; S50-G53 PolarHBondContact OG-N 3.41Å; K51-G53 VanDerWaalsContact C-N 3.33Å; G53-K55 PolarHBondContact O-N 2.75Å
54	Q	81.4	Confident	72.7	Confident	75 Å²	75	78.8 Å²	78.8	35%	0.35	47%	0.472	S	S	.	.			trans	-67.7	126.2	174	-179.7	62.9	40.6	0	0	109.2	F49 S50 S52 F56	F49-Q54 CarbonylContact C-O 3.49Å; F49-Q54 WeakPolarHBondContact CA-O 3.45Å; S50-Q54 PolarHBondContact N-O 3.47Å; S50-Q54 WeakPolarHBondContact OG-CB 3.42Å; S50-Q54 PolarHBondContact OG-N 2.76Å; S50-Q54 VanDerWaalsContact OG-N 3.12Å; S52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-F56 HydrophobicContact CB-CE2 3.83Å; Q54-F56 HydrophobicContact CB-CZ 4.44Å; Q54-F56 HydrophobicContact CG-CD2 4.31Å; Q54-F56 HydrophobicContact CG-CE2 3.52Å; Q54-F56 HydrophobicContact CG-CZ 3.8Å; Q54-F56 VanDerWaalsContact O-CD2 3.27Å; Q54-F56 WeakPolarHBondContact O-CD2 3.31Å; Q54-F56 WeakPolarHBondContact O-CE2 3.49Å
55	K	83.8	Confident	71.5	Confident	42 Å²	42	78.2 Å²	78.2	18%	0.183	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.1	179.5	-171.3	-176.5	167.2	-177.4	0	110.7	D39 N47 F49 G53 P218 T219	D39-K55 IonicContact OD1-NZ 3.62Å; D39-K55 PolarHBondContact OD1-NZ 3.24Å; D39-K55 IonicContact OD2-NZ 3.49Å; D39-K55 PolarHBondContact OD2-NZ 3.06Å; N47-K55 WeakPolarHBondContact OD1-CE 3.23Å; F49-K55 HydrophobicContact CD1-CB 3.83Å; F49-K55 HydrophobicContact CD1-CG 4.08Å; F49-K55 HydrophobicContact CE1-CB 3.61Å; F49-K55 HydrophobicContact CE1-CD 3.92Å; F49-K55 HydrophobicContact CE1-CG 3.59Å; F49-K55 HydrophobicContact CZ-CB 4.38Å; F49-K55 HydrophobicContact CZ-CD 3.94Å; F49-K55 HydrophobicContact CZ-CG 3.85Å; G53-K55 PolarHBondContact O-N 2.75Å; K55-P218 CarbonylContact O-C 3.56Å; K55-P218 WeakPolarHBondContact O-CA 3.22Å; K55-T219 WeakPolarHBondContact CB-OG1 3.36Å; K55-T219 WeakPolarHBondContact CD-OG1 3.22Å; K55-T219 WeakPolarHBondContact CG-OG1 3.18Å; K55-T219 PolarHBondContact O-N 2.94Å; K55-T219 PolarHBondContact O-OG1 2.69Å
56	F	85.4	Confident	70	Confident	33 Å²	33	80.8 Å²	80.8	15%	0.145	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.7	177	-66.3	-99.2	0	0	0	110.3	I32 N47 V48 Q54 C216 H217 P218	I32-F56 HydrophobicContact CG2-CD1 4.13Å; I32-F56 HydrophobicContact CG2-CE1 3.57Å; I32-F56 HydrophobicContact CG2-CZ 4.38Å; N47-F56 CarbonylContact C-O 3.44Å; N47-F56 WeakPolarHBondContact CA-O 3.34Å; V48-F56 PolarHBondContact N-O 3.24Å; V48-F56 PolarHBondContact O-N 3.03Å; Q54-F56 HydrophobicContact CB-CE2 3.83Å; Q54-F56 HydrophobicContact CB-CZ 4.44Å; Q54-F56 HydrophobicContact CG-CD2 4.31Å; Q54-F56 HydrophobicContact CG-CE2 3.52Å; Q54-F56 HydrophobicContact CG-CZ 3.8Å; Q54-F56 VanDerWaalsContact O-CD2 3.27Å; Q54-F56 WeakPolarHBondContact O-CD2 3.31Å; Q54-F56 WeakPolarHBondContact O-CE2 3.49Å; F56-C216 HydrophobicContact CB-CB 4.42Å; F56-C216 HydrophobicContact CD1-CB 4.48Å; F56-H217 CarbonylContact C-O 3.55Å; F56-H217 WeakPolarHBondContact CA-O 3.49Å; F56-P218 HydrophobicContact CD1-CB 4.16Å; F56-P218 HydrophobicContact CE1-CB 3.9Å; F56-P218 HydrophobicContact CE1-CG 4.31Å; F56-P218 HydrophobicContact CZ-CB 4.41Å
57	S	85.6	Confident	67.6	Low	30 Å²	30	85.1 Å²	85.1	21%	0.21	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.1	168.6	179.6	0	0	0	0	107.2	C216 H217	S57-C216 WeakPolarHBondContact O-CA 3.42Å; S57-H217 PolarHBondContact N-O 3.13Å; S57-H217 PolarHBondContact O-N 3.31Å
58	C	86.3	Confident	65.5	Low	8 Å²	8	87 Å²	87	5%	0.054	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.1	-179.3	-59.2	0	0	0	0	109.5	G45 V46 I214 T215 C216	G45-C58 CarbonylContact C-O 3.59Å; G45-C58 WeakPolarHBondContact CA-O 3.46Å; V46-C58 PolarHBondContact N-O 3.3Å; V46-C58 PolarHBondContact O-N 3.15Å; C58-I214 HydrophobicContact CB-CG2 3.99Å; C58-T215 WeakPolarHBondContact CA-O 3.48Å; C58-C216 HydrophobicContact CB-CB 4.16Å; C58-C216 WeakPolarHBondContact CB-SG 3.29Å; C58-C216 WeakPolarHBondContact SG-CB 3.3Å; C58-C216 CovalentContact SG-SG 2.04Å; C58-C216 PolarHBondContact SG-SG 2.87Å
59	S	83.3	Confident	63.7	Low	51 Å²	51	90 Å²	90	36%	0.357	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.3	176	53.6	0	0	0	0	110	T215	S59-T215 PolarHBondContact N-O 3.43Å; S59-T215 PolarHBondContact O-N 2.91Å
60	W	77.4	Confident	61.7	Low	112 Å²	112	91.2 Å²	91.2	42%	0.424	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.3	173.5	-45.5	-96	0	0	0	107.8	A44 V46 T62	A44-W60 VanDerWaalsContact O-CZ3 3.3Å; A44-W60 WeakPolarHBondContact O-CZ3 3.3Å; V46-W60 HydrophobicContact CB-CH2 4.03Å; V46-W60 HydrophobicContact CB-CZ2 4.45Å; V46-W60 HydrophobicContact CG2-CH2 3.6Å; V46-W60 HydrophobicContact CG2-CZ2 4.26Å; W60-T62 PolarHBondContact O-N 3.39Å; W60-T62 VanDerWaalsContact O-N 3.13Å
61	G	63.8	Low	60.2	Low	57 Å²	57	91.3 Å²	91.3	59%	0.588	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-56.5	121.7	164.6	0	0	0	0	0	108.1	D63	G61-D63 PolarHBondContact O-N 2.84Å; G61-D63 VanDerWaalsContact O-N 3.13Å
62	T	51.2	Low	59.2	Low	135 Å²	135	84.1 Å²	84.1	83%	0.828	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-59	118.4	161.6	46.3	0	0	0	0	105.4	W60 S64	W60-T62 PolarHBondContact O-N 3.39Å; W60-T62 VanDerWaalsContact O-N 3.13Å; T62-S64 PolarHBondContact O-N 3.45Å
63	D	46.2	Very low	58.1	Low	123 Å²	123	83.8 Å²	83.8	66%	0.658	53%	0.525	S	S	*	.			trans	-36.6	117.2	179.6	-81.3	-32.2	0	0	0	108.6	G61 G65 H212	G61-D63 PolarHBondContact O-N 2.84Å; G61-D63 VanDerWaalsContact O-N 3.13Å; D63-G65 PolarHBondContact O-N 3.27Å; D63-H212 IonicContact OD1-NE2 3.15Å
64	S	37.5	Very low	57.4	Low	120 Å²	120	89 Å²	89	84%	0.839	54%	0.536	S	S	*	.			trans	-49.2	112.4	167.1	-63.2	0	0	0	0	104.6	T62 A66	T62-S64 PolarHBondContact O-N 3.45Å; S64-A66 PolarHBondContact O-N 2.93Å
65	G	34.9	Very low	57.1	Low	67 Å²	67	85.8 Å²	85.8	69%	0.691	52%	0.521	S	S	*	.			trans	-44.9	109.2	-170.4	0	0	0	0	0	108.1	D63 E67	D63-G65 PolarHBondContact O-N 3.27Å; G65-E67 PolarHBondContact O-N 2.99Å
66	A	36.3	Very low	57.1	Low	84 Å²	84	85.2 Å²	85.2	69%	0.694	52%	0.523	S	S	*	.			trans	-57.4	106.1	155.7	0	0	0	0	0	102.5	S64	S64-A66 PolarHBondContact O-N 2.93Å
67	E	30	Very low	57.2	Low	167 Å²	167	85.1 Å²	85.1	78%	0.78	53%	0.526	S	S	*	.			trans	-45.1	133	174.4	-77.8	-170.9	150.5	0	0	106.8	G65 N69	G65-E67 PolarHBondContact O-N 2.99Å; E67-N69 VanDerWaalsContact C-N 3.26Å; E67-N69 PolarHBondContact O-N 3.21Å
68	P	37.3	Very low	57.2	Low	103 Å²	103	87.7 Å²	87.7	67%	0.669	54%	0.544	S	S	*	.			trans	-59.7	100.7	176.6	24.2	-30.7	0	0	0	106.3	N70	P68-N70 PolarHBondContact O-N 2.78Å
69	N	41.8	Very low	57.3	Low	133 Å²	133	89.5 Å²	89.5	71%	0.711	55%	0.554	S	S	*	*			trans	-52.8	115.5	160.7	-75	-16	0	0	0	104	E67 A71	E67-N69 VanDerWaalsContact C-N 3.26Å; E67-N69 PolarHBondContact O-N 3.21Å; N69-A71 PolarHBondContact O-N 3.38Å
70	N	39.5	Very low	57.6	Low	149 Å²	149	87.1 Å²	87.1	80%	0.797	54%	0.538	S	S	*	.	S	Bend	trans	-64.8	42.1	-178.3	-89.2	-23.4	0	0	0	112.6	P68	P68-N70 PolarHBondContact O-N 2.78Å
71	A	44.5	Very low	58.1	Low	42 Å²	42	85.8 Å²	85.8	35%	0.347	54%	0.536	S	S	.	.			trans	-98.8	19.8	170.7	0	0	0	0	0	111.7	N69 S73	N69-A71 PolarHBondContact O-N 3.38Å; A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.4Å
72	T	48	Very low	59.2	Low	75 Å²	75	86.3 Å²	86.3	46%	0.46	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-74.3	-11.2	178.3	30.3	0	0	0	0	114.1	Q74	T72-Q74 PolarHBondContact O-N 3.22Å
73	S	50.3	Low	61	Low	103 Å²	103	81.6 Å²	81.6	72%	0.72	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-76.7	-9.1	-164.9	57.5	0	0	0	0	116.1	A71	A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.4Å
74	Q	61	Low	63.1	Low	160 Å²	160	75.8 Å²	75.8	75%	0.748	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-142.1	31.6	-175.7	-64.9	-153.3	-8.4	0	0	117.1	T72	T72-Q74 PolarHBondContact O-N 3.22Å
75	L	75	Confident	65.3	Low	7 Å²	7	72.8 Å²	72.8	4%	0.037	45%	0.448	C	S	.	.			trans	-87.8	110.4	162.5	-111.9	84.8	0	0	0	110.4	V80 W134 K140 N200 H202 F203	L75-V80 HydrophobicContact CD2-CG2 4.05Å; L75-V80 HydrophobicContact CG-CG2 4.33Å; L75-W134 HydrophobicContact CB-CE3 4.34Å; L75-W134 HydrophobicContact CD2-CD2 4.14Å; L75-W134 HydrophobicContact CD2-CE3 3.5Å; L75-W134 HydrophobicContact CD2-CH2 3.54Å; L75-W134 HydrophobicContact CD2-CZ2 4.2Å; L75-W134 HydrophobicContact CD2-CZ3 3.16Å; L75-W134 HydrophobicContact CG-CE3 4.47Å; L75-W134 HydrophobicContact CG-CZ3 4.46Å; L75-K140 HydrophobicContact CB-CD 4.13Å; L75-K140 PolarHBondContact O-NZ 3.37Å; L75-N200 VanDerWaalsContact CD1-ND2 3.3Å; L75-N200 WeakPolarHBondContact CD1-ND2 3.36Å; L75-N200 WeakPolarHBondContact CD1-OD1 3.5Å; L75-H202 HydrophobicContact CD1-CB 3.56Å; L75-H202 HydrophobicContact CD2-CB 4.35Å; L75-F203 HydrophobicContact CD2-CE1 4.34Å; L75-F203 HydrophobicContact CD2-CE2 3.94Å; L75-F203 HydrophobicContact CD2-CZ 3.63Å
76	S	84.4	Confident	67.5	Low	31 Å²	31	75.1 Å²	75.1	22%	0.217	44%	0.442	C	S	.	.			trans	-116.7	164.4	168.9	62.7	0	0	0	0	110.7	S78 V79 V80 D135	S76-S78 PolarHBondContact O-N 3.47Å; S76-S78 PolarHBondContact OG-OG 2.84Å; S76-V79 PolarHBondContact O-N 3.37Å; S76-V79 VanDerWaalsContact O-N 3.15Å; S76-V79 WeakPolarHBondContact OG-CG2 3.4Å; S76-V79 PolarHBondContact OG-N 2.91Å; S76-V80 PolarHBondContact O-N 2.88Å; S76-D135 VanDerWaalsContact CA-OD1 3.3Å; S76-D135 WeakPolarHBondContact CA-OD1 3.44Å; S76-D135 WeakPolarHBondContact CB-OD1 3.33Å
77	S	86.7	Confident	69.5	Low	31 Å²	31	71.3 Å²	71.3	22%	0.217	41%	0.41	C	S	.	.	H	α-helix	trans	-58.6	-35	177.3	-68.3	0	0	0	0	111.8	V80 H81 D133 W134 D135	S77-V80 PolarHBondContact O-N 2.88Å; S77-H81 VanDerWaalsContact O-CB 3.31Å; S77-H81 WeakPolarHBondContact O-CB 3.46Å; S77-H81 PolarHBondContact O-N 3.48Å; S77-D133 PolarHBondContact OG-OD1 3.25Å; S77-W134 PolarHBondContact OG-N 3.01Å; S77-D135 VanDerWaalsContact CB-OD2 3.31Å; S77-D135 WeakPolarHBondContact CB-OD2 3.48Å; S77-D135 PolarHBondContact N-OD1 3.24Å; S77-D135 PolarHBondContact OG-OD2 2.81Å
78	S	85.5	Confident	71.6	Confident	84 Å²	84	67.2 Å²	67.2	59%	0.587	40%	0.4	S	S	*	.	H	α-helix	trans	-65.1	-40.1	176.6	58.2	0	0	0	0	113.7	S76 H81 S82	S76-S78 PolarHBondContact O-N 3.47Å; S76-S78 PolarHBondContact OG-OG 2.84Å; S78-H81 PolarHBondContact O-N 2.86Å; S78-S82 PolarHBondContact O-N 2.93Å
79	V	87.7	Confident	73.3	Confident	45 Å²	45	65.9 Å²	65.9	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-46.9	177.6	171.9	0	0	0	0	110	S76 H81 S82 L83	S76-V79 PolarHBondContact O-N 3.37Å; S76-V79 VanDerWaalsContact O-N 3.15Å; S76-V79 WeakPolarHBondContact OG-CG2 3.4Å; S76-V79 PolarHBondContact OG-N 2.91Å; V79-H81 VanDerWaalsContact C-N 3.34Å; V79-H81 PolarHBondContact O-N 3.28Å; V79-S82 PolarHBondContact O-N 3.3Å; V79-S82 VanDerWaalsContact O-N 3.14Å; V79-S82 PolarHBondContact O-OG 3.14Å; V79-L83 HydrophobicContact CG1-CD1 4.45Å; V79-L83 WeakPolarHBondContact O-CG 3.08Å; V79-L83 PolarHBondContact O-N 3.48Å; V79-L83 VanDerWaalsContact O-N 3.11Å
80	V	90	Very high	75.2	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	39%	0.394	C	S	.	.	H	α-helix	trans	-65	-40.5	179.8	-179.6	0	0	0	0	111.2	L75 S76 S77 S82 L83 L84 W134 H144 F203	L75-V80 HydrophobicContact CD2-CG2 4.05Å; L75-V80 HydrophobicContact CG-CG2 4.33Å; S76-V80 PolarHBondContact O-N 2.88Å; S77-V80 PolarHBondContact O-N 2.88Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.25Å; V80-L83 PolarHBondContact O-N 2.95Å; V80-L84 HydrophobicContact CG1-CD1 3.88Å; V80-L84 WeakPolarHBondContact O-CG 3.44Å; V80-L84 PolarHBondContact O-N 3.39Å; V80-W134 HydrophobicContact CG2-CD2 4Å; V80-W134 HydrophobicContact CG2-CG 4.11Å; V80-W134 HydrophobicContact CG2-CZ2 4.14Å; V80-H144 HydrophobicContact CG1-CB 3.98Å; V80-F203 HydrophobicContact CG1-CZ 4.35Å; V80-F203 HydrophobicContact CG2-CE2 4.14Å; V80-F203 HydrophobicContact CG2-CZ 3.85Å
81	H	88.4	Confident	77.5	Confident	85 Å²	85	64.4 Å²	64.4	39%	0.394	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-41.3	172.9	-172.1	77.4	0	0	0	112.1	S77 S78 V79 L83 L84 S85 R107	S77-H81 VanDerWaalsContact O-CB 3.31Å; S77-H81 WeakPolarHBondContact O-CB 3.46Å; S77-H81 PolarHBondContact O-N 3.48Å; S78-H81 PolarHBondContact O-N 2.86Å; V79-H81 VanDerWaalsContact C-N 3.34Å; V79-H81 PolarHBondContact O-N 3.28Å; H81-L83 PolarHBondContact O-N 3.31Å; H81-L84 CarbonylContact O-C 3.54Å; H81-L84 PolarHBondContact O-N 2.86Å; H81-S85 WeakPolarHBondContact O-CB 3.2Å; H81-S85 PolarHBondContact O-N 3.4Å; H81-R107 PolarHBondContact CE1-NH2 3.48Å; H81-R107 VanDerWaalsContact CE1-NH2 3.31Å; H81-R107 PolarHBondContact ND1-NH2 3.01Å
82	S	87.3	Confident	79.9	Confident	67 Å²	67	64 Å²	64	47%	0.469	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-36.2	177.5	77.5	0	0	0	0	113.3	S78 V79 V80 L84 S85	S78-S82 PolarHBondContact O-N 2.93Å; V79-S82 PolarHBondContact O-N 3.3Å; V79-S82 VanDerWaalsContact O-N 3.14Å; V79-S82 PolarHBondContact O-OG 3.14Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.25Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-S85 PolarHBondContact O-OG 3.03Å
83	L	89.3	Confident	82.1	Confident	37 Å²	37	61.5 Å²	61.5	19%	0.194	37%	0.37	C	S	.	.	H	α-helix	trans	-70.5	-30.5	176.1	-64.2	172.9	0	0	0	111.9	V79 V80 H81 S196 L197 N200 F203	V79-L83 HydrophobicContact CG1-CD1 4.45Å; V79-L83 WeakPolarHBondContact O-CG 3.08Å; V79-L83 PolarHBondContact O-N 3.48Å; V79-L83 VanDerWaalsContact O-N 3.11Å; V80-L83 PolarHBondContact O-N 2.95Å; H81-L83 PolarHBondContact O-N 3.31Å; L83-S196 WeakPolarHBondContact O-CB 3.47Å; L83-S196 PolarHBondContact O-OG 3.06Å; L83-L197 HydrophobicContact CB-CD2 3.91Å; L83-L197 HydrophobicContact CD1-CD2 4.08Å; L83-N200 HydrophobicContact CD1-CB 4.05Å; L83-F203 HydrophobicContact CD1-CD2 4.38Å; L83-F203 HydrophobicContact CD1-CE2 4.12Å
84	L	89.8	Confident	84.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-92.2	-11.4	178.8	-64.9	173.1	0	0	0	113.5	V80 H81 S82 M86 F87 F106 H144 F167 T194 L197	V80-L84 HydrophobicContact CG1-CD1 3.88Å; V80-L84 WeakPolarHBondContact O-CG 3.44Å; V80-L84 PolarHBondContact O-N 3.39Å; H81-L84 CarbonylContact O-C 3.54Å; H81-L84 PolarHBondContact O-N 2.86Å; S82-L84 VanDerWaalsContact C-N 3.31Å; L84-M86 PolarHBondContact O-N 2.99Å; L84-M86 VanDerWaalsContact O-N 3.14Å; L84-F87 HydrophobicContact CD2-CD2 4.46Å; L84-F87 WeakPolarHBondContact O-CB 2.9Å; L84-F87 PolarHBondContact O-N 2.83Å; L84-F106 HydrophobicContact CB-CE2 4.35Å; L84-F106 HydrophobicContact CB-CZ 3.92Å; L84-H144 HydrophobicContact CD1-CB 4.34Å; L84-H144 WeakPolarHBondContact CD1-CD2 3.41Å; L84-F167 HydrophobicContact CD2-CB 4.24Å; L84-F167 HydrophobicContact CD2-CD1 3.94Å; L84-F167 HydrophobicContact CD2-CG 4.05Å; L84-T194 HydrophobicContact CD2-CG2 3.64Å; L84-L197 HydrophobicContact CD2-CD1 4.38Å; L84-L197 HydrophobicContact CD2-CD2 4.1Å; L84-L197 HydrophobicContact CD2-CG 4.24Å; L84-L197 HydrophobicContact CG-CD2 4.25Å
85	S	84.3	Confident	85.7	Confident	57 Å²	57	57 Å²	57	40%	0.399	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-61.9	-26.2	179.6	71.5	0	0	0	0	111.9	H81 S82 F87 S88	H81-S85 WeakPolarHBondContact O-CB 3.2Å; H81-S85 PolarHBondContact O-N 3.4Å; S82-S85 PolarHBondContact O-OG 3.03Å; S85-F87 PolarHBondContact O-N 3.03Å; S85-S88 VanDerWaalsContact O-CB 3.27Å; S85-S88 WeakPolarHBondContact O-CB 2.83Å; S85-S88 PolarHBondContact O-N 3.26Å; S85-S88 VanDerWaalsContact O-N 3.13Å; S85-S88 PolarHBondContact O-OG 3.38Å
86	M	79.3	Confident	86.4	Confident	115 Å²	115	64.2 Å²	64.2	57%	0.567	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-58.7	-32.2	172.4	-159.8	-175.1	-80.4	0	0	112.2	L84 S88 G89 F90 F175	L84-M86 PolarHBondContact O-N 2.99Å; L84-M86 VanDerWaalsContact O-N 3.14Å; M86-S88 VanDerWaalsContact C-N 3.27Å; M86-S88 PolarHBondContact O-N 3.49Å; M86-G89 PolarHBondContact O-N 3.19Å; M86-F90 HydrophobicContact CG-CE2 4.06Å; M86-F90 WeakPolarHBondContact O-CD2 3.17Å; M86-F90 WeakPolarHBondContact O-CE2 2.99Å; M86-F175 HydrophobicContact SD-CE2 4.19Å; M86-F175 HydrophobicContact SD-CZ 4.15Å
87	F	79.3	Confident	86.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.018	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-65.3	-27.9	177.7	-119.7	-68.9	0	0	0	113.1	L84 S85 G89 F90 L93 F104 F106 F167 F175 I192 T194	L84-F87 HydrophobicContact CD2-CD2 4.46Å; L84-F87 WeakPolarHBondContact O-CB 2.9Å; L84-F87 PolarHBondContact O-N 2.83Å; S85-F87 PolarHBondContact O-N 3.03Å; F87-G89 PolarHBondContact O-N 3.17Å; F87-G89 VanDerWaalsContact O-N 3.14Å; F87-F90 PolarHBondContact O-N 2.96Å; F87-L93 HydrophobicContact CE1-CD1 3.73Å; F87-L93 HydrophobicContact CE1-CG 4.18Å; F87-L93 HydrophobicContact CZ-CD1 3.75Å; F87-F104 HydrophobicContact CE1-CE1 4.24Å; F87-F106 HydrophobicContact CB-CB 4.34Å; F87-F106 HydrophobicContact CB-CD1 3.87Å; F87-F106 HydrophobicContact CB-CD2 3.88Å; F87-F106 HydrophobicContact CB-CE1 4.07Å; F87-F106 HydrophobicContact CB-CE2 4.1Å; F87-F106 HydrophobicContact CB-CG 3.77Å; F87-F106 HydrophobicContact CB-CZ 4.19Å; F87-F106 HydrophobicContact CD1-CB 3.97Å; F87-F106 HydrophobicContact CD1-CD2 4.24Å; F87-F106 HydrophobicContact CD1-CG 4.19Å; F87-F106 HydrophobicContact CG-CB 4.44Å; F87-F106 HydrophobicContact CG-CD2 4Å; F87-F106 HydrophobicContact CG-CE2 4.45Å; F87-F106 HydrophobicContact CG-CG 4.16Å; F87-F167 HydrophobicContact CD2-CD1 4.31Å; F87-F167 HydrophobicContact CD2-CE1 4.16Å; F87-F167 AromaticContact CE2-CD1 3.91Å; F87-F167 HydrophobicContact CE2-CD1 3.91Å; F87-F167 AromaticContact CE2-CE1 3.92Å; F87-F167 HydrophobicContact CE2-CE1 3.92Å; F87-F167 HydrophobicContact CZ-CE1 4.34Å; F87-F175 AromaticContact CD2-CD1 3.6Å; F87-F175 HydrophobicContact CD2-CD1 3.6Å; F87-F175 AromaticContact CD2-CE1 3.55Å; F87-F175 HydrophobicContact CD2-CE1 3.55Å; F87-F175 HydrophobicContact CD2-CG 4.41Å; F87-F175 HydrophobicContact CD2-CZ 4.39Å; F87-F175 HydrophobicContact CE1-CB 4.14Å; F87-F175 HydrophobicContact CE1-CD1 4.22Å; F87-F175 HydrophobicContact CE1-CG 4.32Å; F87-F175 HydrophobicContact CE2-CB 4.29Å; F87-F175 AromaticContact CE2-CD1 3.01Å; F87-F175 HydrophobicContact CE2-CD1 3.01Å; F87-F175 AromaticContact CE2-CE1 3.43Å; F87-F175 HydrophobicContact CE2-CE1 3.43Å; F87-F175 VanDerWaalsContact CE2-CE1 3.43Å; F87-F175 AromaticContact CE2-CG 3.89Å; F87-F175 HydrophobicContact CE2-CG 3.89Å; F87-F175 HydrophobicContact CG-CD1 4.41Å; F87-F175 HydrophobicContact CG-CE1 4.45Å; F87-F175 HydrophobicContact CZ-CB 3.71Å; F87-F175 AromaticContact CZ-CD1 3.36Å; F87-F175 HydrophobicContact CZ-CD1 3.36Å; F87-F175 HydrophobicContact CZ-CE1 4.2Å; F87-F175 AromaticContact CZ-CG 3.79Å; F87-F175 HydrophobicContact CZ-CG 3.79Å; F87-I192 HydrophobicContact CE2-CG2 4.06Å; F87-I192 HydrophobicContact CZ-CG2 3.54Å; F87-T194 HydrophobicContact CD2-CG2 4.15Å; F87-T194 HydrophobicContact CE2-CG2 3.88Å
88	S	73.8	Confident	86.4	Confident	82 Å²	82	68.5 Å²	68.5	57%	0.573	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-61	-24.3	-177.8	-54.2	0	0	0	0	113.3	S85 M86	S85-S88 VanDerWaalsContact O-CB 3.27Å; S85-S88 WeakPolarHBondContact O-CB 2.83Å; S85-S88 PolarHBondContact O-N 3.26Å; S85-S88 VanDerWaalsContact O-N 3.13Å; S85-S88 PolarHBondContact O-OG 3.38Å; M86-S88 VanDerWaalsContact C-N 3.27Å; M86-S88 PolarHBondContact O-N 3.49Å
89	G	74.1	Confident	86.4	Confident	75 Å²	75	72.1 Å²	72.1	77%	0.773	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-92.4	-4.8	177.9	0	0	0	0	0	115	M86 F87	M86-G89 PolarHBondContact O-N 3.19Å; F87-G89 PolarHBondContact O-N 3.17Å; F87-G89 VanDerWaalsContact O-N 3.14Å
90	F	80.1	Confident	86.5	Confident	106 Å²	106	73.7 Å²	73.7	47%	0.465	40%	0.398	S	S	.	.	S	Bend	trans	-89.7	148.3	-179.7	-76	-86	0	0	0	112.4	M86 F87 F175	M86-F90 HydrophobicContact CG-CE2 4.06Å; M86-F90 WeakPolarHBondContact O-CD2 3.17Å; M86-F90 WeakPolarHBondContact O-CE2 2.99Å; F87-F90 PolarHBondContact O-N 2.96Å; F90-F175 HydrophobicContact CD1-CD2 4.32Å; F90-F175 AromaticContact CD2-CD2 3.92Å; F90-F175 HydrophobicContact CD2-CD2 3.92Å; F90-F175 HydrophobicContact CD2-CE2 4Å; F90-F175 AromaticContact CE1-CD2 3.94Å; F90-F175 HydrophobicContact CE1-CD2 3.94Å; F90-F175 HydrophobicContact CE1-CE2 4.38Å; F90-F175 AromaticContact CE2-CD2 3.49Å; F90-F175 HydrophobicContact CE2-CD2 3.49Å; F90-F175 VanDerWaalsContact CE2-CD2 3.49Å; F90-F175 AromaticContact CE2-CE2 3.25Å; F90-F175 HydrophobicContact CE2-CE2 3.25Å; F90-F175 HydrophobicContact CE2-CZ 4.22Å; F90-F175 HydrophobicContact CG-CD2 4.32Å; F90-F175 AromaticContact CZ-CD2 3.5Å; F90-F175 HydrophobicContact CZ-CD2 3.5Å; F90-F175 AromaticContact CZ-CE2 3.49Å; F90-F175 HydrophobicContact CZ-CE2 3.49Å; F90-F175 VanDerWaalsContact CZ-CE2 3.49Å
91	D	88.3	Confident	86.6	Confident	145 Å²	145	74.8 Å²	74.8	78%	0.775	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-61.6	158.8	166.4	-73.9	-33	0	0	0	111.5	L93	D91-L93 PolarHBondContact O-N 3.06Å
92	C	94.4	Very high	87	Confident	33 Å²	33	71.7 Å²	71.7	22%	0.223	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.9	133.9	176.3	-54.9	0	0	0	0	111.6	E103 F104 C105	C92-E103 HydrophobicContact CB-CG 3.84Å; C92-F104 CarbonylContact C-O 3.57Å; C92-F104 VanDerWaalsContact CA-O 3.25Å; C92-F104 WeakPolarHBondContact CA-O 3.39Å; C92-F104 WeakPolarHBondContact CB-O 2.95Å; C92-C105 HydrophobicContact CB-CB 4.06Å; C92-C105 WeakPolarHBondContact CB-SG 3.44Å; C92-C105 WeakPolarHBondContact SG-CB 3.22Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.95Å
93	L	94.6	Very high	87.4	Confident	22 Å²	22	69 Å²	69	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141	179.1	-57.9	-176.8	0	0	0	110.1	F87 D91 E103 F104 F175 I177 I192	F87-L93 HydrophobicContact CE1-CD1 3.73Å; F87-L93 HydrophobicContact CE1-CG 4.18Å; F87-L93 HydrophobicContact CZ-CD1 3.75Å; D91-L93 PolarHBondContact O-N 3.06Å; L93-E103 CarbonylContact O-C 3.6Å; L93-E103 VanDerWaalsContact O-CA 3.26Å; L93-E103 WeakPolarHBondContact O-CA 3.21Å; L93-F104 HydrophobicContact CB-CD1 4.44Å; L93-F104 HydrophobicContact CD1-CD1 4.15Å; L93-F104 HydrophobicContact CG-CD1 4.38Å; L93-F104 PolarHBondContact N-O 3.5Å; L93-F104 PolarHBondContact O-N 3.45Å; L93-F175 HydrophobicContact CD1-CB 4.38Å; L93-F175 HydrophobicContact CD2-CB 4.26Å; L93-F175 WeakPolarHBondContact CD2-O 3.47Å; L93-I177 HydrophobicContact CB-CD1 4.06Å; L93-I177 HydrophobicContact CB-CG1 3.88Å; L93-I177 HydrophobicContact CD1-CG1 4.44Å; L93-I192 HydrophobicContact CD1-CG2 3.72Å
94	R	93.6	Very high	87.7	Confident	137 Å²	137	67.3 Å²	67.3	52%	0.517	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.4	178.7	-60.5	-178.7	-176.6	91.1	6.1	111.5	Y102 E103	R94-Y102 CarbonylContact C-O 3.56Å; R94-Y102 VanDerWaalsContact CA-O 3.23Å; R94-Y102 WeakPolarHBondContact CA-O 3.26Å; R94-E103 HydrophobicContact CG-CB 4.07Å; R94-E103 HydrophobicContact CG-CG 4.17Å; R94-E103 IonicContact CZ-OE2 3.84Å; R94-E103 IonicContact NE-OE2 2.71Å; R94-E103 PolarHBondContact NE-OE2 3.29Å; R94-E103 IonicContact NH2-OE2 3.71Å; R94-E103 PolarHBondContact NH2-OE2 3.07Å
95	V	93.7	Very high	88	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.2	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.6	171.4	70.4	0	0	0	0	110.4	K97 T101 Y102 I177 V180	V95-K97 HydrophobicContact CG2-CG 4.34Å; V95-T101 WeakPolarHBondContact O-CA 3.05Å; V95-Y102 HydrophobicContact CG1-CD2 4.48Å; V95-Y102 PolarHBondContact N-O 3.13Å; V95-Y102 PolarHBondContact O-N 2.8Å; V95-I177 HydrophobicContact CB-CB 4.05Å; V95-I177 HydrophobicContact CB-CD1 4.19Å; V95-I177 HydrophobicContact CB-CG2 4.48Å; V95-I177 HydrophobicContact CG1-CB 3.74Å; V95-I177 HydrophobicContact CG1-CD1 3.73Å; V95-I177 HydrophobicContact CG1-CG1 4.33Å; V95-I177 HydrophobicContact CG1-CG2 3.67Å; V95-V180 HydrophobicContact CG1-CG2 3.84Å
96	K	89.3	Confident	88.5	Confident	157 Å²	157	65.7 Å²	65.7	68%	0.683	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.9	171.6	-172.2	174	-177.8	175.8	0	108.9
97	K	86.1	Confident	89.1	Confident	84 Å²	84	63.8 Å²	63.8	37%	0.365	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	104.1	174.7	-76.3	-160.3	175.1	-153.3	0	109.6	V95 W99 W100 Y102 V180	V95-K97 HydrophobicContact CG2-CG 4.34Å; K97-W99 PolarHBondContact O-N 2.77Å; K97-W100 CarbonylContact C-O 3.18Å; K97-W100 PolarHBondContact N-O 3.44Å; K97-W100 PolarHBondContact O-N 2.94Å; K97-Y102 HydrophobicContact CB-CD2 4.45Å; K97-Y102 HydrophobicContact CB-CE2 4.15Å; K97-V180 HydrophobicContact CD-CB 4.16Å; K97-V180 HydrophobicContact CD-CG2 4.36Å
98	G	85.3	Confident	89.8	Confident	69 Å²	69	70 Å²	70	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-128	-175.4	0	0	0	0	0	111.7	W100	G98-W100 VanDerWaalsContact C-N 3.33Å
99	W	85.1	Confident	90.9	Very high	159 Å²	159	69.6 Å²	69.6	60%	0.602	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-26.8	178.4	-171.4	-105	0	0	0	113.1	K97 H114 D115	K97-W99 PolarHBondContact O-N 2.77Å; W99-H114 AromaticContact CD1-CD2 3.89Å; W99-H114 AromaticContact CD1-CG 3.76Å; W99-H114 AromaticContact CE2-CG 3.85Å; W99-H114 AromaticContact CE2-ND1 3.72Å; W99-H114 HydrophobicContact CG-CB 4.43Å; W99-H114 AromaticContact CZ2-ND1 3.71Å; W99-H114 AromaticContact NE1-CD2 3.4Å; W99-H114 PolarHBondContact NE1-CD2 3.5Å; W99-H114 AromaticContact NE1-CE1 3.68Å; W99-H114 AromaticContact NE1-CG 3.1Å; W99-H114 AromaticContact NE1-ND1 3.28Å; W99-H114 PolarHBondContact NE1-ND1 3.42Å; W99-H114 AromaticContact NE1-NE2 3.75Å; W99-H114 VanDerWaalsContact O-CB 3.25Å; W99-H114 WeakPolarHBondContact O-CB 3.24Å; W99-D115 WeakPolarHBondContact CZ2-OD2 3.26Å
100	W	90.9	Very high	92.1	Very high	78 Å²	78	66 Å²	66	30%	0.295	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.6	-173	-63.7	106.4	0	0	0	112.4	K97 G98 Y102 Q112 H114	K97-W100 CarbonylContact C-O 3.18Å; K97-W100 PolarHBondContact N-O 3.44Å; K97-W100 PolarHBondContact O-N 2.94Å; G98-W100 VanDerWaalsContact C-N 3.33Å; W100-Y102 HydrophobicContact CB-CD2 4.36Å; W100-Y102 HydrophobicContact CB-CE2 3.62Å; W100-Q112 HydrophobicContact CD2-CG 4.49Å; W100-Q112 HydrophobicContact CE3-CB 4.09Å; W100-Q112 HydrophobicContact CE3-CG 3.78Å; W100-Q112 VanDerWaalsContact CH2-NE2 3.33Å; W100-Q112 HydrophobicContact CZ3-CG 3.9Å; W100-H114 HydrophobicContact CE3-CB 4.47Å; W100-H114 AromaticContact CE3-CD2 3.98Å; W100-H114 AromaticContact CH2-CD2 3.65Å; W100-H114 AromaticContact CZ3-CD2 3.42Å; W100-H114 VanDerWaalsContact CZ3-CD2 3.42Å; W100-H114 WeakPolarHBondContact CZ3-CD2 3.36Å
101	T	92.4	Very high	92.8	Very high	24 Å²	24	61.2 Å²	61.2	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.8	162	-53.7	0	0	0	0	108.4	V95 Q112 Y113	V95-T101 WeakPolarHBondContact O-CA 3.05Å; T101-Q112 CarbonylContact O-C 3.56Å; T101-Q112 VanDerWaalsContact O-CA 3.25Å; T101-Q112 WeakPolarHBondContact O-CA 3.35Å; T101-Y113 HydrophobicContact CG2-CE1 4.05Å; T101-Y113 HydrophobicContact CG2-CE2 3.82Å; T101-Y113 VanDerWaalsContact CG2-CZ 3.48Å; T101-Y113 WeakPolarHBondContact CG2-OH 3.42Å; T101-Y113 PolarHBondContact N-O 3.4Å; T101-Y113 PolarHBondContact O-N 2.91Å
102	Y	96.2	Very high	93.1	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.078	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.3	177.6	-61.7	-86.7	0	0	0	109.4	R94 V95 K97 W100 V111 Q112 L125 V180 Y188	R94-Y102 CarbonylContact C-O 3.56Å; R94-Y102 VanDerWaalsContact CA-O 3.23Å; R94-Y102 WeakPolarHBondContact CA-O 3.26Å; V95-Y102 HydrophobicContact CG1-CD2 4.48Å; V95-Y102 PolarHBondContact N-O 3.13Å; V95-Y102 PolarHBondContact O-N 2.8Å; K97-Y102 HydrophobicContact CB-CD2 4.45Å; K97-Y102 HydrophobicContact CB-CE2 4.15Å; W100-Y102 HydrophobicContact CB-CD2 4.36Å; W100-Y102 HydrophobicContact CB-CE2 3.62Å; Y102-V111 WeakPolarHBondContact CA-O 3.13Å; Y102-Q112 HydrophobicContact CD1-CB 3.69Å; Y102-Q112 HydrophobicContact CE1-CB 3.71Å; Y102-Q112 VanDerWaalsContact CE1-OE1 3.31Å; Y102-L125 HydrophobicContact CD1-CD1 3.85Å; Y102-L125 HydrophobicContact CE1-CD1 3.98Å; Y102-V180 HydrophobicContact CD1-CG1 3.75Å; Y102-V180 HydrophobicContact CD2-CB 4.15Å; Y102-V180 HydrophobicContact CD2-CG1 4.01Å; Y102-V180 HydrophobicContact CD2-CG2 3.91Å; Y102-V180 HydrophobicContact CE1-CG1 3.67Å; Y102-V180 HydrophobicContact CE2-CB 4.22Å; Y102-V180 HydrophobicContact CE2-CG1 3.93Å; Y102-V180 HydrophobicContact CE2-CG2 4.47Å; Y102-V180 HydrophobicContact CG-CB 4.39Å; Y102-V180 HydrophobicContact CG-CG1 3.92Å; Y102-V180 HydrophobicContact CG-CG2 3.99Å; Y102-Y188 HydrophobicContact CE1-CD1 4.44Å; Y102-Y188 HydrophobicContact CE1-CE1 4.39Å
103	E	95.3	Very high	93	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126	174.3	171.1	-177.5	92.4	0	0	109.3	C92 L93 R94 Y109 V110 V111 Y113 K122	C92-E103 HydrophobicContact CB-CG 3.84Å; L93-E103 CarbonylContact O-C 3.6Å; L93-E103 VanDerWaalsContact O-CA 3.26Å; L93-E103 WeakPolarHBondContact O-CA 3.21Å; R94-E103 HydrophobicContact CG-CB 4.07Å; R94-E103 HydrophobicContact CG-CG 4.17Å; R94-E103 IonicContact CZ-OE2 3.84Å; R94-E103 IonicContact NE-OE2 2.71Å; R94-E103 PolarHBondContact NE-OE2 3.29Å; R94-E103 IonicContact NH2-OE2 3.71Å; R94-E103 PolarHBondContact NH2-OE2 3.07Å; E103-Y109 WeakPolarHBondContact OE1-CE2 3.33Å; E103-V110 WeakPolarHBondContact O-CA 3.47Å; E103-V111 HydrophobicContact CB-CG2 3.62Å; E103-V111 HydrophobicContact CG-CG2 4.07Å; E103-V111 PolarHBondContact N-O 3.49Å; E103-V111 PolarHBondContact O-N 2.83Å; E103-Y113 HydrophobicContact CB-CE1 4.04Å; E103-K122 IonicContact OE1-NZ 3.09Å
104	F	96.4	Very high	92.6	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.8	178.6	166.9	-105.5	0	0	0	109.6	F87 C92 L93 F106 V110 Y148 V165 F167 I177 L190 I192	F87-F104 HydrophobicContact CE1-CE1 4.24Å; C92-F104 CarbonylContact C-O 3.57Å; C92-F104 VanDerWaalsContact CA-O 3.25Å; C92-F104 WeakPolarHBondContact CA-O 3.39Å; C92-F104 WeakPolarHBondContact CB-O 2.95Å; L93-F104 HydrophobicContact CB-CD1 4.44Å; L93-F104 HydrophobicContact CD1-CD1 4.15Å; L93-F104 HydrophobicContact CG-CD1 4.38Å; L93-F104 PolarHBondContact N-O 3.5Å; L93-F104 PolarHBondContact O-N 3.45Å; F104-F106 HydrophobicContact CE1-CB 4.21Å; F104-F106 HydrophobicContact CE1-CD2 4.45Å; F104-F106 HydrophobicContact CZ-CB 4.18Å; F104-F106 HydrophobicContact CZ-CD2 4.11Å; F104-V110 HydrophobicContact CD2-CG2 3.93Å; F104-V110 HydrophobicContact CE2-CG2 4.5Å; F104-Y148 HydrophobicContact CE2-CE1 4.35Å; F104-Y148 HydrophobicContact CE2-CE2 4.04Å; F104-Y148 AromaticContact CE2-CZ 3.65Å; F104-Y148 VanDerWaalsContact CE2-OH 3.31Å; F104-Y148 WeakPolarHBondContact CE2-OH 3.14Å; F104-V165 HydrophobicContact CD2-CG1 4.17Å; F104-V165 HydrophobicContact CD2-CG2 3.96Å; F104-V165 HydrophobicContact CE2-CB 4.17Å; F104-V165 HydrophobicContact CE2-CG1 3.72Å; F104-V165 HydrophobicContact CE2-CG2 3.78Å; F104-V165 HydrophobicContact CZ-CG1 3.9Å; F104-F167 HydrophobicContact CE1-CE1 4.14Å; F104-F167 HydrophobicContact CE1-CZ 4.28Å; F104-F167 HydrophobicContact CZ-CE1 4.06Å; F104-F167 AromaticContact CZ-CZ 3.72Å; F104-F167 HydrophobicContact CZ-CZ 3.72Å; F104-I177 HydrophobicContact CB-CD1 4.1Å; F104-L190 HydrophobicContact CB-CD2 4.31Å; F104-I192 HydrophobicContact CD1-CD1 4.09Å; F104-I192 HydrophobicContact CD1-CG1 4.42Å; F104-I192 HydrophobicContact CE1-CG1 4.41Å; F104-I192 HydrophobicContact CG-CD1 4.32Å
105	C	95.1	Very high	91.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.1	174.7	-60.5	0	0	0	0	109.5	C92 R107 K108 Y109	C92-C105 HydrophobicContact CB-CB 4.06Å; C92-C105 WeakPolarHBondContact CB-SG 3.44Å; C92-C105 WeakPolarHBondContact SG-CB 3.22Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.95Å; C105-R107 PolarHBondContact O-N 2.94Å; C105-K108 HydrophobicContact CB-CB 3.81Å; C105-K108 HydrophobicContact CB-CD 4.29Å; C105-K108 PolarHBondContact O-N 3.47Å; C105-Y109 HydrophobicContact CB-CD1 4.45Å; C105-Y109 HydrophobicContact CB-CD2 4.25Å; C105-Y109 HydrophobicContact CB-CE1 4.35Å; C105-Y109 HydrophobicContact CB-CE2 4.16Å; C105-Y109 HydrophobicContact CB-CG 4.41Å; C105-Y109 PolarHBondContact N-O 2.98Å; C105-Y109 PolarHBondContact O-N 3.32Å; C105-Y109 WeakPolarHBondContact SG-CE2 3.33Å
106	F	94.6	Very high	90	Very high	21 Å²	21	61.2 Å²	61.2	9%	0.092	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	126.7	-175.1	-176.3	-105.2	0	0	0	112.8	L84 F87 F104 K108 Q146 F167	L84-F106 HydrophobicContact CB-CE2 4.35Å; L84-F106 HydrophobicContact CB-CZ 3.92Å; F87-F106 HydrophobicContact CB-CB 4.34Å; F87-F106 HydrophobicContact CB-CD1 3.87Å; F87-F106 HydrophobicContact CB-CD2 3.88Å; F87-F106 HydrophobicContact CB-CE1 4.07Å; F87-F106 HydrophobicContact CB-CE2 4.1Å; F87-F106 HydrophobicContact CB-CG 3.77Å; F87-F106 HydrophobicContact CB-CZ 4.19Å; F87-F106 HydrophobicContact CD1-CB 3.97Å; F87-F106 HydrophobicContact CD1-CD2 4.24Å; F87-F106 HydrophobicContact CD1-CG 4.19Å; F87-F106 HydrophobicContact CG-CB 4.44Å; F87-F106 HydrophobicContact CG-CD2 4Å; F87-F106 HydrophobicContact CG-CE2 4.45Å; F87-F106 HydrophobicContact CG-CG 4.16Å; F104-F106 HydrophobicContact CE1-CB 4.21Å; F104-F106 HydrophobicContact CE1-CD2 4.45Å; F104-F106 HydrophobicContact CZ-CB 4.18Å; F104-F106 HydrophobicContact CZ-CD2 4.11Å; F106-K108 PolarHBondContact O-N 3.37Å; F106-K108 VanDerWaalsContact O-N 3.12Å; F106-Q146 VanDerWaalsContact CE2-NE2 3.31Å; F106-F167 AromaticContact CD2-CE1 3.72Å; F106-F167 HydrophobicContact CD2-CE1 3.72Å; F106-F167 AromaticContact CD2-CZ 3.58Å; F106-F167 HydrophobicContact CD2-CZ 3.58Å; F106-F167 AromaticContact CE2-CE1 3.78Å; F106-F167 HydrophobicContact CE2-CE1 3.78Å; F106-F167 HydrophobicContact CE2-CE2 4.37Å; F106-F167 AromaticContact CE2-CZ 3.55Å; F106-F167 HydrophobicContact CE2-CZ 3.55Å
107	R	92.7	Very high	88.3	Confident	75 Å²	75	56.8 Å²	56.8	28%	0.283	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	22.6	-175.8	-65.9	-179.4	175.3	-122.9	-7.8	115	H81 C105 F128 E131 Y148	H81-R107 PolarHBondContact CE1-NH2 3.48Å; H81-R107 VanDerWaalsContact CE1-NH2 3.31Å; H81-R107 PolarHBondContact ND1-NH2 3.01Å; C105-R107 PolarHBondContact O-N 2.94Å; R107-F128 VanDerWaalsContact C-CB 3.44Å; R107-F128 HydrophobicContact CB-CD1 4.21Å; R107-F128 HydrophobicContact CB-CD2 4.45Å; R107-F128 HydrophobicContact CB-CE1 4.46Å; R107-F128 HydrophobicContact CB-CG 4.2Å; R107-F128 HydrophobicContact CG-CD2 4.32Å; R107-F128 HydrophobicContact CG-CE1 4.33Å; R107-F128 HydrophobicContact CG-CE2 4.14Å; R107-F128 HydrophobicContact CG-CG 4.5Å; R107-F128 HydrophobicContact CG-CZ 4.14Å; R107-E131 IonicContact CZ-OE1 3.57Å; R107-E131 IonicContact CZ-OE2 3.63Å; R107-E131 IonicContact NE-OE2 3.48Å; R107-E131 IonicContact NH1-OE1 2.64Å; R107-E131 IonicContact NH2-OE1 2.9Å; R107-E131 PolarHBondContact NH2-OE1 3.01Å; R107-E131 IonicContact NH2-OE2 3.68Å; R107-E131 PolarHBondContact NH2-OE2 2.88Å; R107-Y148 PolarHBondContact N-OH 3.31Å
108	K	94.4	Very high	86.8	Confident	135 Å²	135	59.4 Å²	59.4	59%	0.587	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-78	179.6	-66.2	176	-176.7	176.1	0	110.3	C105 F106 I127 F128	C105-K108 HydrophobicContact CB-CB 3.81Å; C105-K108 HydrophobicContact CB-CD 4.29Å; C105-K108 PolarHBondContact O-N 3.47Å; F106-K108 PolarHBondContact O-N 3.37Å; F106-K108 VanDerWaalsContact O-N 3.12Å; K108-I127 WeakPolarHBondContact O-CA 2.96Å; K108-F128 PolarHBondContact O-N 2.87Å
109	Y	96.9	Very high	85.8	Confident	74 Å²	74	64.6 Å²	64.6	29%	0.29	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	162.9	-173.7	58	-103.7	0	0	0	112.7	E103 C105 V111 G126	E103-Y109 WeakPolarHBondContact OE1-CE2 3.33Å; C105-Y109 HydrophobicContact CB-CD1 4.45Å; C105-Y109 HydrophobicContact CB-CD2 4.25Å; C105-Y109 HydrophobicContact CB-CE1 4.35Å; C105-Y109 HydrophobicContact CB-CE2 4.16Å; C105-Y109 HydrophobicContact CB-CG 4.41Å; C105-Y109 PolarHBondContact N-O 2.98Å; C105-Y109 PolarHBondContact O-N 3.32Å; C105-Y109 WeakPolarHBondContact SG-CE2 3.33Å; Y109-V111 HydrophobicContact CD2-CB 4.43Å; Y109-V111 HydrophobicContact CD2-CG1 3.56Å; Y109-V111 HydrophobicContact CD2-CG2 4.18Å; Y109-V111 HydrophobicContact CE2-CG1 3.98Å; Y109-V111 HydrophobicContact CE2-CG2 4.01Å; Y109-V111 HydrophobicContact CG-CG1 4.4Å; Y109-G126 CarbonylContact C-O 3.47Å; Y109-G126 VanDerWaalsContact CA-O 3.25Å; Y109-G126 WeakPolarHBondContact CA-O 3.15Å; Y109-G126 WeakPolarHBondContact CB-O 3.44Å
110	V	98	Very high	84.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.4	167.4	-165.3	0	0	0	0	108	E103 F104 L125 G126 Y148 A163 V165 L190	E103-V110 WeakPolarHBondContact O-CA 3.47Å; F104-V110 HydrophobicContact CD2-CG2 3.93Å; F104-V110 HydrophobicContact CE2-CG2 4.5Å; V110-L125 HydrophobicContact CB-CB 4.11Å; V110-L125 HydrophobicContact CG1-CB 4.22Å; V110-L125 HydrophobicContact CG1-CD1 4.03Å; V110-L125 WeakPolarHBondContact O-CA 3.41Å; V110-L125 WeakPolarHBondContact O-CB 3.4Å; V110-L125 PolarHBondContact O-N 3.41Å; V110-G126 PolarHBondContact N-O 3.41Å; V110-G126 PolarHBondContact O-N 3.13Å; V110-Y148 HydrophobicContact CG2-CD1 3.65Å; V110-Y148 HydrophobicContact CG2-CD2 4.11Å; V110-Y148 HydrophobicContact CG2-CE1 4.02Å; V110-Y148 HydrophobicContact CG2-CE2 4.45Å; V110-Y148 HydrophobicContact CG2-CG 3.74Å; V110-A163 HydrophobicContact CB-CB 4.48Å; V110-A163 HydrophobicContact CG2-CB 4.31Å; V110-V165 HydrophobicContact CG2-CG2 3.99Å; V110-L190 HydrophobicContact CG1-CD1 4.13Å; V110-L190 HydrophobicContact CG1-CD2 3.64Å
111	V	96.1	Very high	84.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.1	-179.1	-62.9	0	0	0	0	110.2	Y102 E103 Y109 K122 T123 L124	Y102-V111 WeakPolarHBondContact CA-O 3.13Å; E103-V111 HydrophobicContact CB-CG2 3.62Å; E103-V111 HydrophobicContact CG-CG2 4.07Å; E103-V111 PolarHBondContact N-O 3.49Å; E103-V111 PolarHBondContact O-N 2.83Å; Y109-V111 HydrophobicContact CD2-CB 4.43Å; Y109-V111 HydrophobicContact CD2-CG1 3.56Å; Y109-V111 HydrophobicContact CD2-CG2 4.18Å; Y109-V111 HydrophobicContact CE2-CG1 3.98Å; Y109-V111 HydrophobicContact CE2-CG2 4.01Å; Y109-V111 HydrophobicContact CG-CG1 4.4Å; V111-K122 HydrophobicContact CB-CG 4.41Å; V111-T123 CarbonylContact C-O 3.51Å; V111-T123 WeakPolarHBondContact CA-O 3.33Å; V111-L124 HydrophobicContact CG1-CD1 3.65Å
112	Q	94.4	Very high	84.1	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.033	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.8	167.3	72	177.8	36.6	0	0	110.5	W100 T101 Y102 T123 L125	W100-Q112 HydrophobicContact CD2-CG 4.49Å; W100-Q112 HydrophobicContact CE3-CB 4.09Å; W100-Q112 HydrophobicContact CE3-CG 3.78Å; W100-Q112 VanDerWaalsContact CH2-NE2 3.33Å; W100-Q112 HydrophobicContact CZ3-CG 3.9Å; T101-Q112 CarbonylContact O-C 3.56Å; T101-Q112 VanDerWaalsContact O-CA 3.25Å; T101-Q112 WeakPolarHBondContact O-CA 3.35Å; Y102-Q112 HydrophobicContact CD1-CB 3.69Å; Y102-Q112 HydrophobicContact CE1-CB 3.71Å; Y102-Q112 VanDerWaalsContact CE1-OE1 3.31Å; Q112-T123 HydrophobicContact CG-CG2 4.23Å; Q112-T123 PolarHBondContact N-O 2.87Å; Q112-T123 PolarHBondContact O-N 2.95Å; Q112-L125 HydrophobicContact CB-CD1 4.23Å; Q112-L125 HydrophobicContact CB-CD2 4.35Å; Q112-L125 HydrophobicContact CB-CG 4.38Å; Q112-L125 HydrophobicContact CG-CD2 3.78Å; Q112-L125 HydrophobicContact CG-CG 4.31Å
113	Y	92.5	Very high	83.9	Confident	24 Å²	24	63.3 Å²	63.3	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	161.9	176.1	58.8	-88.3	0	0	0	110.5	T101 E103	T101-Y113 HydrophobicContact CG2-CE1 4.05Å; T101-Y113 HydrophobicContact CG2-CE2 3.82Å; T101-Y113 VanDerWaalsContact CG2-CZ 3.48Å; T101-Y113 WeakPolarHBondContact CG2-OH 3.42Å; T101-Y113 PolarHBondContact N-O 3.4Å; T101-Y113 PolarHBondContact O-N 2.91Å; E103-Y113 HydrophobicContact CB-CE1 4.04Å
114	H	85.8	Confident	84	Confident	47 Å²	47	65.1 Å²	65.1	22%	0.218	32%	0.315	C	S	.	.			trans	-133.6	157	171	63.3	86.6	0	0	0	110.1	W99 W100 S121	W99-H114 AromaticContact CD1-CD2 3.89Å; W99-H114 AromaticContact CD1-CG 3.76Å; W99-H114 AromaticContact CE2-CG 3.85Å; W99-H114 AromaticContact CE2-ND1 3.72Å; W99-H114 HydrophobicContact CG-CB 4.43Å; W99-H114 AromaticContact CZ2-ND1 3.71Å; W99-H114 AromaticContact NE1-CD2 3.4Å; W99-H114 PolarHBondContact NE1-CD2 3.5Å; W99-H114 AromaticContact NE1-CE1 3.68Å; W99-H114 AromaticContact NE1-CG 3.1Å; W99-H114 AromaticContact NE1-ND1 3.28Å; W99-H114 PolarHBondContact NE1-ND1 3.42Å; W99-H114 AromaticContact NE1-NE2 3.75Å; W99-H114 VanDerWaalsContact O-CB 3.25Å; W99-H114 WeakPolarHBondContact O-CB 3.24Å; W100-H114 HydrophobicContact CE3-CB 4.47Å; W100-H114 AromaticContact CE3-CD2 3.98Å; W100-H114 AromaticContact CH2-CD2 3.65Å; W100-H114 AromaticContact CZ3-CD2 3.42Å; W100-H114 VanDerWaalsContact CZ3-CD2 3.42Å; W100-H114 WeakPolarHBondContact CZ3-CD2 3.36Å; H114-S121 PolarHBondContact N-OG 3.12Å; H114-S121 VanDerWaalsContact N-OG 3.1Å; H114-S121 WeakPolarHBondContact O-CB 3.35Å; H114-S121 PolarHBondContact O-OG 3.04Å
115	D	73.5	Confident	84	Confident	96 Å²	96	65 Å²	65	51%	0.513	31%	0.314	S	S	.	.	S	Bend	trans	64.2	174.3	175.8	-52.4	-36.4	0	0	0	117.8	W99 S117	W99-D115 WeakPolarHBondContact CZ2-OD2 3.26Å; D115-S117 PolarHBondContact O-N 3.43Å
116	E	59.4	Low	84.1	Confident	197 Å²	197	65 Å²	65	92%	0.921	31%	0.314	S	S	*	.	S	Bend	trans	-71.6	-23.3	-166.7	-64.2	-174.3	165.1	0	0	114.2	K118	E116-K118 PolarHBondContact O-N 2.8Å; E116-K118 VanDerWaalsContact O-N 3.11Å
117	S	52.8	Low	84.2	Confident	63 Å²	63	67.9 Å²	67.9	44%	0.441	33%	0.33	S	S	.	.			trans	-87.7	77.9	173.4	64.3	0	0	0	0	110.4	D115 E119 T120	D115-S117 PolarHBondContact O-N 3.43Å; S117-E119 PolarHBondContact O-N 2.92Å; S117-T120 PolarHBondContact O-N 3.18Å; S117-T120 PolarHBondContact O-OG1 3.17Å; S117-T120 PolarHBondContact OG-OG1 2.99Å
118	K	55.7	Low	84.4	Confident	139 Å²	139	66.8 Å²	66.8	60%	0.604	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-24	-179.1	-72.1	-176.8	179.5	177.1	0	115.3	E116 K122	E116-K118 PolarHBondContact O-N 2.8Å; E116-K118 VanDerWaalsContact O-N 3.11Å; K118-K122 WeakPolarHBondContact O-CB 3.48Å
119	E	62.7	Low	84.4	Confident	179 Å²	179	66.6 Å²	66.6	84%	0.836	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-31.7	-176.4	-68.4	-177.5	167.1	0	0	113.9	S117	S117-E119 PolarHBondContact O-N 2.92Å
120	T	67.1	Low	84.2	Confident	116 Å²	116	65.5 Å²	65.5	71%	0.712	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-31.1	-172.8	67.5	0	0	0	0	112.7	S117	S117-T120 PolarHBondContact O-N 3.18Å; S117-T120 PolarHBondContact O-OG1 3.17Å; S117-T120 PolarHBondContact OG-OG1 2.99Å
121	S	77.7	Confident	84	Confident	13 Å²	13	68.5 Å²	68.5	9%	0.091	35%	0.345	C	S	.	.	S	Bend	trans	-98.1	0.3	179.9	67.4	0	0	0	0	113.5	H114 T123	H114-S121 PolarHBondContact N-OG 3.12Å; H114-S121 VanDerWaalsContact N-OG 3.1Å; H114-S121 WeakPolarHBondContact O-CB 3.35Å; H114-S121 PolarHBondContact O-OG 3.04Å; S121-T123 PolarHBondContact O-N 3.45Å; S121-T123 VanDerWaalsContact O-N 3.09Å; S121-T123 PolarHBondContact O-OG1 2.89Å
122	K	88.5	Confident	83.7	Confident	96 Å²	96	70.5 Å²	70.5	42%	0.417	35%	0.354	S	S	.	.			trans	-67.9	111.9	-174	-156.1	170.5	-176.7	173.6	0	110.8	E103 V111 K118	E103-K122 IonicContact OE1-NZ 3.09Å; V111-K122 HydrophobicContact CB-CG 4.41Å; K118-K122 WeakPolarHBondContact O-CB 3.48Å
123	T	93.1	Very high	83.5	Confident	29 Å²	29	74 Å²	74	18%	0.178	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.1	178.5	-58.2	0	0	0	0	108.6	V111 Q112 S121 L125 S152	V111-T123 CarbonylContact C-O 3.51Å; V111-T123 WeakPolarHBondContact CA-O 3.33Å; Q112-T123 HydrophobicContact CG-CG2 4.23Å; Q112-T123 PolarHBondContact N-O 2.87Å; Q112-T123 PolarHBondContact O-N 2.95Å; S121-T123 PolarHBondContact O-N 3.45Å; S121-T123 VanDerWaalsContact O-N 3.09Å; S121-T123 PolarHBondContact O-OG1 2.89Å; T123-L125 HydrophobicContact CG2-CD2 4.44Å; T123-L125 PolarHBondContact O-N 2.64Å; T123-S152 WeakPolarHBondContact CG2-OG 3.47Å
124	L	96.9	Very high	83.2	Confident	49 Å²	49	73 Å²	73	26%	0.257	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.3	175.7	-177.6	67.4	0	0	0	110.1	V111 I127 S152	V111-L124 HydrophobicContact CG1-CD1 3.65Å; L124-I127 HydrophobicContact CD1-CG1 4.32Å; L124-I127 HydrophobicContact CD2-CD1 4.06Å; L124-I127 HydrophobicContact CD2-CG1 3.91Å; L124-S152 PolarHBondContact O-N 3.48Å; L124-S152 PolarHBondContact O-OG 3.34Å
125	L	96.9	Very high	83.2	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-30.3	176.5	-56.3	-170.6	0	0	0	111.8	Y102 V110 Q112 T123 R161 A163 Y188	Y102-L125 HydrophobicContact CD1-CD1 3.85Å; Y102-L125 HydrophobicContact CE1-CD1 3.98Å; V110-L125 HydrophobicContact CB-CB 4.11Å; V110-L125 HydrophobicContact CG1-CB 4.22Å; V110-L125 HydrophobicContact CG1-CD1 4.03Å; V110-L125 WeakPolarHBondContact O-CA 3.41Å; V110-L125 WeakPolarHBondContact O-CB 3.4Å; V110-L125 PolarHBondContact O-N 3.41Å; Q112-L125 HydrophobicContact CB-CD1 4.23Å; Q112-L125 HydrophobicContact CB-CD2 4.35Å; Q112-L125 HydrophobicContact CB-CG 4.38Å; Q112-L125 HydrophobicContact CG-CD2 3.78Å; Q112-L125 HydrophobicContact CG-CG 4.31Å; T123-L125 HydrophobicContact CG2-CD2 4.44Å; T123-L125 PolarHBondContact O-N 2.64Å; L125-R161 CarbonylContact O-C 3.45Å; L125-R161 WeakPolarHBondContact O-CB 3.47Å; L125-R161 VanDerWaalsContact O-O 3.08Å; L125-A163 HydrophobicContact CB-CB 4.49Å; L125-Y188 HydrophobicContact CB-CD2 4.26Å; L125-Y188 HydrophobicContact CD1-CD1 3.98Å; L125-Y188 HydrophobicContact CD1-CD2 4.03Å; L125-Y188 HydrophobicContact CD1-CE1 4.29Å; L125-Y188 HydrophobicContact CD1-CE2 4.34Å; L125-Y188 HydrophobicContact CD1-CG 3.85Å; L125-Y188 HydrophobicContact CD2-CD2 3.9Å; L125-Y188 HydrophobicContact CD2-CE1 4.37Å; L125-Y188 HydrophobicContact CD2-CE2 3.51Å; L125-Y188 HydrophobicContact CD2-CG 4.49Å; L125-Y188 HydrophobicContact CG-CD2 4.29Å; L125-Y188 HydrophobicContact CG-CE2 4.38Å
126	G	97	Very high	83.7	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	162.3	172.7	0	0	0	0	0	112.9	Y109 V110 S149	Y109-G126 CarbonylContact C-O 3.47Å; Y109-G126 VanDerWaalsContact CA-O 3.25Å; Y109-G126 WeakPolarHBondContact CA-O 3.15Å; Y109-G126 WeakPolarHBondContact CB-O 3.44Å; V110-G126 PolarHBondContact N-O 3.41Å; V110-G126 PolarHBondContact O-N 3.13Å; G126-S149 CarbonylContact C-O 3.59Å; G126-S149 VanDerWaalsContact CA-O 3.32Å; G126-S149 WeakPolarHBondContact CA-O 3.41Å
127	I	97	Very high	84.5	Confident	83 Å²	83	70.3 Å²	70.3	43%	0.426	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.1	172.9	-57.5	172.1	0	0	0	106.8	K108 L124 E129 Y148 S149	K108-I127 WeakPolarHBondContact O-CA 2.96Å; L124-I127 HydrophobicContact CD1-CG1 4.32Å; L124-I127 HydrophobicContact CD2-CD1 4.06Å; L124-I127 HydrophobicContact CD2-CG1 3.91Å; I127-E129 PolarHBondContact O-N 3.38Å; I127-Y148 CarbonylContact O-C 3.6Å; I127-Y148 WeakPolarHBondContact O-CA 3.49Å; I127-S149 PolarHBondContact N-O 2.92Å; I127-S149 PolarHBondContact O-N 2.88Å
128	F	96.6	Very high	85.5	Confident	52 Å²	52	74.1 Å²	74.1	23%	0.228	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	126.2	179.5	175.5	-103.3	0	0	0	111.1	R107 K108 S130 E131 Q146 Y148	R107-F128 VanDerWaalsContact C-CB 3.44Å; R107-F128 HydrophobicContact CB-CD1 4.21Å; R107-F128 HydrophobicContact CB-CD2 4.45Å; R107-F128 HydrophobicContact CB-CE1 4.46Å; R107-F128 HydrophobicContact CB-CG 4.2Å; R107-F128 HydrophobicContact CG-CD2 4.32Å; R107-F128 HydrophobicContact CG-CE1 4.33Å; R107-F128 HydrophobicContact CG-CE2 4.14Å; R107-F128 HydrophobicContact CG-CG 4.5Å; R107-F128 HydrophobicContact CG-CZ 4.14Å; K108-F128 PolarHBondContact O-N 2.87Å; F128-S130 WeakPolarHBondContact CE2-O 3.45Å; F128-E131 HydrophobicContact CE2-CB 4.31Å; F128-E131 HydrophobicContact CZ-CB 4.46Å; F128-Q146 HydrophobicContact CD2-CB 4.46Å; F128-Q146 HydrophobicContact CE2-CB 4.25Å; F128-Q146 HydrophobicContact CE2-CG 3.95Å; F128-Y148 HydrophobicContact CB-CD1 3.99Å; F128-Y148 HydrophobicContact CB-CE1 3.63Å; F128-Y148 HydrophobicContact CD2-CE1 4.33Å; F128-Y148 HydrophobicContact CD2-CE2 4.26Å; F128-Y148 AromaticContact CD2-CZ 3.93Å; F128-Y148 HydrophobicContact CG-CE1 4.48Å
129	E	93.7	Very high	86.5	Confident	130 Å²	130	75 Å²	75	61%	0.607	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	-51.7	179	177.4	177.2	-157.1	0	0	111.3	I127 F147 S149	I127-E129 PolarHBondContact O-N 3.38Å; E129-F147 PolarHBondContact N-O 3.15Å; E129-S149 WeakPolarHBondContact CB-OG 3.38Å; E129-S149 WeakPolarHBondContact OE2-CB 3.29Å; E129-S149 PolarHBondContact OE2-OG 3.01Å
130	S	93.6	Very high	87.3	Confident	51 Å²	51	69.7 Å²	69.7	36%	0.357	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.5	-174.1	60.7	0	0	0	0	111.9	F128 F147	F128-S130 WeakPolarHBondContact CE2-O 3.45Å; S130-F147 PolarHBondContact N-O 2.96Å; S130-F147 PolarHBondContact O-N 2.75Å
131	E	92.7	Very high	88.1	Confident	63 Å²	63	65.5 Å²	65.5	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.1	176.4	70	-168.4	166.5	0	0	110.6	R107 F128 D133 H144 S145 Q146	R107-E131 IonicContact CZ-OE1 3.57Å; R107-E131 IonicContact CZ-OE2 3.63Å; R107-E131 IonicContact NE-OE2 3.48Å; R107-E131 IonicContact NH1-OE1 2.64Å; R107-E131 IonicContact NH2-OE1 2.9Å; R107-E131 PolarHBondContact NH2-OE1 3.01Å; R107-E131 IonicContact NH2-OE2 3.68Å; R107-E131 PolarHBondContact NH2-OE2 2.88Å; F128-E131 HydrophobicContact CE2-CB 4.31Å; F128-E131 HydrophobicContact CZ-CB 4.46Å; E131-D133 PolarHBondContact O-N 3.15Å; E131-H144 IonicContact OE2-NE2 3.47Å; E131-S145 WeakPolarHBondContact CA-O 3.32Å; E131-Q146 HydrophobicContact CB-CG 3.78Å; E131-Q146 PolarHBondContact OE2-NE2 3.1Å
132	F	91.2	Very high	88.5	Confident	46 Å²	46	69.1 Å²	69.1	20%	0.202	36%	0.355	C	S	.	.			trans	-61.7	123.6	-177.8	-176.8	-93.3	0	0	0	111.4	W134 S137 P141 S145	F132-W134 AromaticContact CD1-CD1 3.99Å; F132-W134 AromaticContact CD1-CD2 3.91Å; F132-W134 HydrophobicContact CD1-CD2 3.91Å; F132-W134 AromaticContact CD1-CE2 3.84Å; F132-W134 HydrophobicContact CD1-CE3 4.49Å; F132-W134 HydrophobicContact CD1-CG 4.03Å; F132-W134 HydrophobicContact CD1-CZ2 4.42Å; F132-W134 AromaticContact CD1-NE1 3.9Å; F132-W134 AromaticContact CE1-CD2 3.97Å; F132-W134 HydrophobicContact CE1-CD2 3.97Å; F132-W134 HydrophobicContact CE1-CE3 4.13Å; F132-W134 HydrophobicContact CE1-CG 4.28Å; F132-W134 PolarHBondContact O-N 2.74Å; F132-S137 VanDerWaalsContact CZ-CB 3.45Å; F132-S137 WeakPolarHBondContact CZ-OG 3.47Å; F132-P141 HydrophobicContact CD1-CG 4.27Å; F132-P141 HydrophobicContact CE1-CG 3.87Å; F132-P141 HydrophobicContact CE2-CG 4.25Å; F132-P141 VanDerWaalsContact CZ-CD 3.46Å; F132-P141 HydrophobicContact CZ-CG 3.84Å; F132-S145 PolarHBondContact N-O 3.03Å
133	D	89.6	Confident	88.6	Confident	80 Å²	80	68 Å²	68	43%	0.428	35%	0.349	S	S	.	.			trans	-84.2	107.2	177.9	-175.4	3.7	0	0	0	110.8	S77 E131 D135 N136	S77-D133 PolarHBondContact OG-OD1 3.25Å; E131-D133 PolarHBondContact O-N 3.15Å; D133-D135 VanDerWaalsContact C-N 3.31Å; D133-D135 PolarHBondContact OD1-N 3.48Å; D133-N136 WeakPolarHBondContact OD2-CB 3.27Å
134	W	86.6	Confident	88.6	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.015	34%	0.341	C	S	.	.	S	Bend	trans	-76.1	-19.3	-178	-69.6	88.2	0	0	0	113.8	L75 S77 V80 F132 K140 P141 H144 H202 F203	L75-W134 HydrophobicContact CB-CE3 4.34Å; L75-W134 HydrophobicContact CD2-CD2 4.14Å; L75-W134 HydrophobicContact CD2-CE3 3.5Å; L75-W134 HydrophobicContact CD2-CH2 3.54Å; L75-W134 HydrophobicContact CD2-CZ2 4.2Å; L75-W134 HydrophobicContact CD2-CZ3 3.16Å; L75-W134 HydrophobicContact CG-CE3 4.47Å; L75-W134 HydrophobicContact CG-CZ3 4.46Å; S77-W134 PolarHBondContact OG-N 3.01Å; V80-W134 HydrophobicContact CG2-CD2 4Å; V80-W134 HydrophobicContact CG2-CG 4.11Å; V80-W134 HydrophobicContact CG2-CZ2 4.14Å; F132-W134 AromaticContact CD1-CD1 3.99Å; F132-W134 AromaticContact CD1-CD2 3.91Å; F132-W134 HydrophobicContact CD1-CD2 3.91Å; F132-W134 AromaticContact CD1-CE2 3.84Å; F132-W134 HydrophobicContact CD1-CE3 4.49Å; F132-W134 HydrophobicContact CD1-CG 4.03Å; F132-W134 HydrophobicContact CD1-CZ2 4.42Å; F132-W134 AromaticContact CD1-NE1 3.9Å; F132-W134 AromaticContact CE1-CD2 3.97Å; F132-W134 HydrophobicContact CE1-CD2 3.97Å; F132-W134 HydrophobicContact CE1-CE3 4.13Å; F132-W134 HydrophobicContact CE1-CG 4.28Å; F132-W134 PolarHBondContact O-N 2.74Å; W134-K140 HydrophobicContact CE3-CB 4.33Å; W134-K140 HydrophobicContact CE3-CD 4.23Å; W134-K140 HydrophobicContact CE3-CG 4.11Å; W134-K140 HydrophobicContact CZ3-CB 3.9Å; W134-K140 HydrophobicContact CZ3-CD 4.45Å; W134-K140 HydrophobicContact CZ3-CG 4.19Å; W134-P141 HydrophobicContact CH2-CG 4.15Å; W134-P141 WeakPolarHBondContact CH2-O 3.23Å; W134-P141 HydrophobicContact CZ3-CG 4.49Å; W134-H144 AromaticContact CD1-ND1 3.99Å; W134-H144 AromaticContact CE2-ND1 3.91Å; W134-H144 HydrophobicContact CZ2-CB 4.13Å; W134-H144 AromaticContact NE1-CE1 3.78Å; W134-H144 AromaticContact NE1-ND1 3.04Å; W134-H144 PolarHBondContact NE1-ND1 2.94Å; W134-H202 AromaticContact CZ3-CE1 3.91Å; W134-F203 AromaticContact CH2-CE1 3.49Å; W134-F203 HydrophobicContact CH2-CE1 3.49Å; W134-F203 VanDerWaalsContact CH2-CE1 3.49Å; W134-F203 AromaticContact CH2-CZ 3.64Å; W134-F203 HydrophobicContact CH2-CZ 3.64Å; W134-F203 AromaticContact CZ2-CE1 3.64Å; W134-F203 HydrophobicContact CZ2-CE1 3.64Å; W134-F203 AromaticContact CZ2-CZ 3.57Å; W134-F203 HydrophobicContact CZ2-CZ 3.57Å
135	D	85.3	Confident	88.5	Confident	109 Å²	109	64.6 Å²	64.6	58%	0.583	33%	0.33	S	S	*	.	S	Bend	trans	-82.7	-23.5	-176.1	-59.6	-33.2	0	0	0	111	S76 S77 D133	S76-D135 VanDerWaalsContact CA-OD1 3.3Å; S76-D135 WeakPolarHBondContact CA-OD1 3.44Å; S76-D135 WeakPolarHBondContact CB-OD1 3.33Å; S77-D135 VanDerWaalsContact CB-OD2 3.31Å; S77-D135 WeakPolarHBondContact CB-OD2 3.48Å; S77-D135 PolarHBondContact N-OD1 3.24Å; S77-D135 PolarHBondContact OG-OD2 2.81Å; D133-D135 VanDerWaalsContact C-N 3.31Å; D133-D135 PolarHBondContact OD1-N 3.48Å
136	N	83.7	Confident	88.4	Confident	138 Å²	138	64.6 Å²	64.6	74%	0.738	33%	0.33	S	S	*	.	S	Bend	trans	-106.9	2	-175.5	-162.1	19.6	0	0	0	114.8	D133	D133-N136 WeakPolarHBondContact OD2-CB 3.27Å
137	S	75.4	Confident	88.4	Confident	36 Å²	36	68.3 Å²	68.3	25%	0.252	35%	0.346	S	S	.	.			trans	-102.2	130.1	-178.4	-170.8	0	0	0	0	113.5	F132 E139	F132-S137 VanDerWaalsContact CZ-CB 3.45Å; F132-S137 WeakPolarHBondContact CZ-OG 3.47Å; S137-E139 PolarHBondContact OG-N 3.41Å; S137-E139 PolarHBondContact OG-O 2.85Å
138	T	74.8	Confident	88.4	Confident	143 Å²	143	64.6 Å²	64.6	88%	0.877	33%	0.327	S	S	*	.	S	Bend	trans	-73.1	-29.7	171.8	52.3	0	0	0	0	112.6
139	E	75.9	Confident	88.2	Confident	159 Å²	159	62.6 Å²	62.6	74%	0.743	32%	0.32	S	S	*	.	S	Bend	trans	-109.2	118.3	177.9	-68.2	-177.2	-172.2	0	0	109.4	S137 P141	S137-E139 PolarHBondContact OG-N 3.41Å; S137-E139 PolarHBondContact OG-O 2.85Å; E139-P141 WeakPolarHBondContact O-CD 3.45Å
140	K	79.4	Confident	88.3	Confident	67 Å²	67	61.9 Å²	61.9	29%	0.291	32%	0.32	S	S	.	.			trans	-95.4	109.8	-177.6	-73.9	-169.5	-177.5	-178.3	0	109.6	L75 W134	L75-K140 HydrophobicContact CB-CD 4.13Å; L75-K140 PolarHBondContact O-NZ 3.37Å; W134-K140 HydrophobicContact CE3-CB 4.33Å; W134-K140 HydrophobicContact CE3-CD 4.23Å; W134-K140 HydrophobicContact CE3-CG 4.11Å; W134-K140 HydrophobicContact CZ3-CB 3.9Å; W134-K140 HydrophobicContact CZ3-CD 4.45Å; W134-K140 HydrophobicContact CZ3-CG 4.19Å
141	P	84.7	Confident	88.3	Confident	27 Å²	27	59.8 Å²	59.8	18%	0.175	31%	0.306	C	S	.	.			trans	-69.3	152.6	-178.6	27.6	-33.7	0	0	0	111.4	F132 W134 E139 Y143 H202	F132-P141 HydrophobicContact CD1-CG 4.27Å; F132-P141 HydrophobicContact CE1-CG 3.87Å; F132-P141 HydrophobicContact CE2-CG 4.25Å; F132-P141 VanDerWaalsContact CZ-CD 3.46Å; F132-P141 HydrophobicContact CZ-CG 3.84Å; W134-P141 HydrophobicContact CH2-CG 4.15Å; W134-P141 WeakPolarHBondContact CH2-O 3.23Å; W134-P141 HydrophobicContact CZ3-CG 4.49Å; E139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-Y143 HydrophobicContact CB-CD1 4.49Å; P141-Y143 HydrophobicContact CB-CE1 4.34Å; P141-Y143 HydrophobicContact CB-CE2 4.36Å; P141-Y143 WeakPolarHBondContact CG-O 3.26Å; P141-Y143 PolarHBondContact O-N 2.95Å; P141-H202 PolarHBondContact O-CE1 3.48Å
142	K	86.6	Confident	88.3	Confident	90 Å²	90	58.5 Å²	58.5	39%	0.391	31%	0.305	S	S	.	.	S	Bend	trans	-74.9	10.6	177.3	-64.5	-173.8	179.5	-178.6	0	114.3	F207	K142-F207 HydrophobicContact CB-CZ 4.42Å
143	Y	90.4	Very high	88.4	Confident	71 Å²	71	61.1 Å²	61.1	28%	0.278	32%	0.319	S	S	.	.	S	Bend	trans	-146.2	159	-178.8	54.6	-95.8	0	0	0	108.9	P141 S145 Q166 F167 F207	P141-Y143 HydrophobicContact CB-CD1 4.49Å; P141-Y143 HydrophobicContact CB-CE1 4.34Å; P141-Y143 HydrophobicContact CB-CE2 4.36Å; P141-Y143 WeakPolarHBondContact CG-O 3.26Å; P141-Y143 PolarHBondContact O-N 2.95Å; Y143-S145 WeakPolarHBondContact CD2-OG 3.31Å; Y143-S145 VanDerWaalsContact CE2-OG 3.25Å; Y143-S145 WeakPolarHBondContact CE2-OG 3.35Å; Y143-Q166 HydrophobicContact CD2-CB 4.09Å; Y143-Q166 HydrophobicContact CD2-CG 3.8Å; Y143-Q166 HydrophobicContact CE2-CG 3.83Å; Y143-F167 WeakPolarHBondContact CA-O 3.48Å; Y143-F167 WeakPolarHBondContact CB-O 3.3Å; Y143-F207 HydrophobicContact CD1-CZ 4.46Å
144	H	92.5	Very high	88.4	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.7	170.9	178.6	63	0	0	0	109.8	V80 L84 E131 W134 Q166 F167	V80-H144 HydrophobicContact CG1-CB 3.98Å; L84-H144 HydrophobicContact CD1-CB 4.34Å; L84-H144 WeakPolarHBondContact CD1-CD2 3.41Å; E131-H144 IonicContact OE2-NE2 3.47Å; W134-H144 AromaticContact CD1-ND1 3.99Å; W134-H144 AromaticContact CE2-ND1 3.91Å; W134-H144 HydrophobicContact CZ2-CB 4.13Å; W134-H144 AromaticContact NE1-CE1 3.78Å; W134-H144 AromaticContact NE1-ND1 3.04Å; W134-H144 PolarHBondContact NE1-ND1 2.94Å; H144-Q166 CarbonylContact O-C 3.42Å; H144-Q166 WeakPolarHBondContact O-CA 3.05Å; H144-F167 HydrophobicContact CB-CB 4.38Å; H144-F167 AromaticContact CD2-CD2 3.84Å; H144-F167 PolarHBondContact N-O 3.01Å; H144-F167 VanDerWaalsContact N-O 3.15Å; H144-F167 WeakPolarHBondContact O-CD2 3.41Å; H144-F167 PolarHBondContact O-N 2.73Å
145	S	94.3	Very high	88.4	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	177.6	-68.7	0	0	0	0	111.9	E131 F132 Y143 E164 V165	E131-S145 WeakPolarHBondContact CA-O 3.32Å; F132-S145 PolarHBondContact N-O 3.03Å; Y143-S145 WeakPolarHBondContact CD2-OG 3.31Å; Y143-S145 VanDerWaalsContact CE2-OG 3.25Å; Y143-S145 WeakPolarHBondContact CE2-OG 3.35Å; S145-E164 WeakPolarHBondContact CB-OE1 3.42Å; S145-E164 PolarHBondContact OG-OE1 2.81Å; S145-V165 CarbonylContact C-O 3.59Å; S145-V165 WeakPolarHBondContact CA-O 3.49Å
146	Q	96	Very high	88.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.8	163.6	-74.2	-176.9	-11.3	0	0	110.1	F106 F128 E131 Y148 E164 V165 F167	F106-Q146 VanDerWaalsContact CE2-NE2 3.31Å; F128-Q146 HydrophobicContact CD2-CB 4.46Å; F128-Q146 HydrophobicContact CE2-CB 4.25Å; F128-Q146 HydrophobicContact CE2-CG 3.95Å; E131-Q146 HydrophobicContact CB-CG 3.78Å; E131-Q146 PolarHBondContact OE2-NE2 3.1Å; Q146-Y148 HydrophobicContact CB-CD2 4.29Å; Q146-Y148 HydrophobicContact CB-CE2 3.57Å; Q146-Y148 PolarHBondContact OE1-OH 3.49Å; Q146-E164 WeakPolarHBondContact O-CA 3.08Å; Q146-V165 HydrophobicContact CB-CB 4.5Å; Q146-V165 PolarHBondContact N-O 3.48Å; Q146-V165 PolarHBondContact O-N 2.89Å; Q146-F167 HydrophobicContact CB-CE2 4.06Å; Q146-F167 HydrophobicContact CG-CE2 3.67Å; Q146-F167 HydrophobicContact CG-CZ 4.38Å
147	F	95.6	Very high	88.2	Confident	78 Å²	78	59.4 Å²	59.4	34%	0.342	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.5	-179.5	-55.1	-75.8	0	0	0	109.9	E129 S130 E164	E129-F147 PolarHBondContact N-O 3.15Å; S130-F147 PolarHBondContact N-O 2.96Å; S130-F147 PolarHBondContact O-N 2.75Å; F147-E164 HydrophobicContact CD1-CB 4.49Å; F147-E164 HydrophobicContact CD1-CG 4.17Å; F147-E164 HydrophobicContact CE1-CG 3.99Å
148	Y	97.6	Very high	88.8	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.6	-179.6	-68.1	-108.4	0	0	0	108.9	F104 R107 V110 I127 F128 Q146 A163 V165	F104-Y148 HydrophobicContact CE2-CE1 4.35Å; F104-Y148 HydrophobicContact CE2-CE2 4.04Å; F104-Y148 AromaticContact CE2-CZ 3.65Å; F104-Y148 VanDerWaalsContact CE2-OH 3.31Å; F104-Y148 WeakPolarHBondContact CE2-OH 3.14Å; R107-Y148 PolarHBondContact N-OH 3.31Å; V110-Y148 HydrophobicContact CG2-CD1 3.65Å; V110-Y148 HydrophobicContact CG2-CD2 4.11Å; V110-Y148 HydrophobicContact CG2-CE1 4.02Å; V110-Y148 HydrophobicContact CG2-CE2 4.45Å; V110-Y148 HydrophobicContact CG2-CG 3.74Å; I127-Y148 CarbonylContact O-C 3.6Å; I127-Y148 WeakPolarHBondContact O-CA 3.49Å; F128-Y148 HydrophobicContact CB-CD1 3.99Å; F128-Y148 HydrophobicContact CB-CE1 3.63Å; F128-Y148 HydrophobicContact CD2-CE1 4.33Å; F128-Y148 HydrophobicContact CD2-CE2 4.26Å; F128-Y148 AromaticContact CD2-CZ 3.93Å; F128-Y148 HydrophobicContact CG-CE1 4.48Å; Q146-Y148 HydrophobicContact CB-CD2 4.29Å; Q146-Y148 HydrophobicContact CB-CE2 3.57Å; Q146-Y148 PolarHBondContact OE1-OH 3.49Å; Y148-A163 WeakPolarHBondContact CB-O 3.08Å; Y148-A163 PolarHBondContact N-O 2.91Å; Y148-A163 PolarHBondContact O-N 3.45Å; Y148-V165 HydrophobicContact CD2-CB 4.36Å; Y148-V165 HydrophobicContact CD2-CG2 3.64Å; Y148-V165 HydrophobicContact CE2-CB 3.96Å; Y148-V165 HydrophobicContact CE2-CG2 3.52Å
149	S	93.4	Very high	89.4	Confident	11 Å²	11	60.6 Å²	60.6	8%	0.077	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	-171.8	-176.7	69	0	0	0	0	111.6	G126 I127 E129 G151	G126-S149 CarbonylContact C-O 3.59Å; G126-S149 VanDerWaalsContact CA-O 3.32Å; G126-S149 WeakPolarHBondContact CA-O 3.41Å; I127-S149 PolarHBondContact N-O 2.92Å; I127-S149 PolarHBondContact O-N 2.88Å; E129-S149 WeakPolarHBondContact CB-OG 3.38Å; E129-S149 WeakPolarHBondContact OE2-CB 3.29Å; E129-S149 PolarHBondContact OE2-OG 3.01Å; S149-G151 PolarHBondContact O-N 3.44Å; S149-G151 VanDerWaalsContact O-N 3.16Å
150	N	94.4	Very high	90.1	Very high	114 Å²	114	55 Å²	55	61%	0.61	29%	0.286	S	S	*	.			trans	53.4	35.9	-175.3	-65.4	-27.9	0	0	0	113.6
151	G	94.9	Very high	90.9	Very high	7 Å²	7	52.9 Å²	52.9	7%	0.072	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.2	171.2	170.1	0	0	0	0	0	112.4	S149 P160 R161	S149-G151 PolarHBondContact O-N 3.44Å; S149-G151 VanDerWaalsContact O-N 3.16Å; G151-P160 WeakPolarHBondContact O-CB 3.41Å; G151-R161 WeakPolarHBondContact CA-O 2.87Å; G151-R161 PolarHBondContact N-O 2.98Å; G151-R161 VanDerWaalsContact N-O 3.16Å
152	S	93.1	Very high	91.3	Very high	37 Å²	37	55.1 Å²	55.1	26%	0.259	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-58.5	147.4	172.1	68.8	0	0	0	0	110.2	T123 L124 C154 R161	T123-S152 WeakPolarHBondContact CG2-OG 3.47Å; L124-S152 PolarHBondContact O-N 3.48Å; L124-S152 PolarHBondContact O-OG 3.34Å; S152-C154 PolarHBondContact O-N 3.4Å; S152-R161 WeakPolarHBondContact O-CG 3.35Å; S152-R161 PolarHBondContact O-N 2.98Å; S152-R161 VanDerWaalsContact O-N 3.08Å; S152-R161 PolarHBondContact O-NH1 3.34Å; S152-R161 PolarHBondContact OG-NH1 3.05Å
153	I	92	Very high	91.8	Very high	100 Å²	100	51 Å²	51	51%	0.513	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-63.2	125.4	-178.2	-56.3	-56.3	0	0	0	109.6	D155 P160 R161	I153-D155 PolarHBondContact O-N 3Å; I153-P160 HydrophobicContact CD1-CB 4.26Å; I153-R161 VanDerWaalsContact C-NH1 3.3Å; I153-R161 PolarHBondContact O-NH1 2.98Å
154	C	89.6	Confident	92.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-66.8	127.2	174.5	-178.1	0	0	0	0	110.5	S152 L156 T157 N158 M159 R161 C186	S152-C154 PolarHBondContact O-N 3.4Å; C154-L156 VanDerWaalsContact C-N 3.27Å; C154-L156 PolarHBondContact O-N 2.93Å; C154-T157 WeakPolarHBondContact CB-OG1 3.44Å; C154-T157 PolarHBondContact SG-N 3.22Å; C154-T157 VanDerWaalsContact SG-N 3.38Å; C154-T157 PolarHBondContact SG-OG1 3.34Å; C154-N158 WeakPolarHBondContact O-CA 3.46Å; C154-N158 PolarHBondContact O-N 3.48Å; C154-M159 WeakPolarHBondContact CB-O 3.39Å; C154-M159 PolarHBondContact N-O 3.08Å; C154-R161 HydrophobicContact CB-CG 4.41Å; C154-C186 HydrophobicContact CB-CB 3.46Å; C154-C186 VanDerWaalsContact CB-CB 3.46Å; C154-C186 WeakPolarHBondContact CB-SG 3.49Å; C154-C186 WeakPolarHBondContact SG-CB 3.45Å; C154-C186 CovalentContact SG-SG 2.01Å; C154-C186 PolarHBondContact SG-SG 3.02Å
155	D	86.2	Confident	92.3	Very high	121 Å²	121	50 Å²	50	65%	0.647	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.9	176.1	56.5	-55.6	0	0	0	112.8	I153 R161	I153-D155 PolarHBondContact O-N 3Å; D155-R161 IonicContact OD1-NH2 3.77Å; D155-R161 PolarHBondContact OD1-NH2 3.18Å; D155-R161 VanDerWaalsContact OD1-NH2 3.11Å
156	L	83.2	Confident	92.4	Very high	117 Å²	117	50.5 Å²	50.5	61%	0.613	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-46.8	-179.8	-58.7	177.6	0	0	0	113	C154	C154-L156 VanDerWaalsContact C-N 3.27Å; C154-L156 PolarHBondContact O-N 2.93Å
157	T	82.6	Confident	92.3	Very high	58 Å²	58	50.5 Å²	50.5	36%	0.356	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.6	-173.1	64.8	0	0	0	0	113.3	C154 M159	C154-T157 WeakPolarHBondContact CB-OG1 3.44Å; C154-T157 PolarHBondContact SG-N 3.22Å; C154-T157 VanDerWaalsContact SG-N 3.38Å; C154-T157 PolarHBondContact SG-OG1 3.34Å; T157-M159 PolarHBondContact O-N 3.26Å; T157-M159 VanDerWaalsContact O-N 3.16Å; T157-M159 PolarHBondContact OG1-N 3.36Å
158	N	87.6	Confident	92.1	Very high	100 Å²	100	47.1 Å²	47.1	54%	0.535	25%	0.254	S	S	.	.	S	Bend	trans	55.8	22.2	-172.5	-156.8	55.2	0	0	0	114	C154	C154-N158 WeakPolarHBondContact O-CA 3.46Å; C154-N158 PolarHBondContact O-N 3.48Å
159	M	87.4	Confident	91.7	Very high	103 Å²	103	47.7 Å²	47.7	51%	0.507	26%	0.259	S	S	.	.	S	Bend	trans	-108.4	153.7	173.5	-62.9	-61.2	-70.5	0	0	109.3	C154 T157 R161	C154-M159 WeakPolarHBondContact CB-O 3.39Å; C154-M159 PolarHBondContact N-O 3.08Å; T157-M159 PolarHBondContact O-N 3.26Å; T157-M159 VanDerWaalsContact O-N 3.16Å; T157-M159 PolarHBondContact OG1-N 3.36Å; M159-R161 PolarHBondContact O-N 3.24Å
160	P	91.3	Very high	91.3	Very high	43 Å²	43	48.9 Å²	48.9	28%	0.279	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-60.2	138.7	172.2	26.6	-34	0	0	0	110	G151 I153	G151-P160 WeakPolarHBondContact O-CB 3.41Å; I153-P160 HydrophobicContact CD1-CB 4.26Å
161	R	95.9	Very high	90.6	Very high	21 Å²	21	51.1 Å²	51.1	8%	0.079	28%	0.278	C	S	.	.			trans	-58.6	147.1	170.7	-73.3	171.1	173.7	83	6.3	110.3	L125 G151 S152 I153 C154 D155 M159 C186 Y188	L125-R161 CarbonylContact O-C 3.45Å; L125-R161 WeakPolarHBondContact O-CB 3.47Å; L125-R161 VanDerWaalsContact O-O 3.08Å; G151-R161 WeakPolarHBondContact CA-O 2.87Å; G151-R161 PolarHBondContact N-O 2.98Å; G151-R161 VanDerWaalsContact N-O 3.16Å; S152-R161 WeakPolarHBondContact O-CG 3.35Å; S152-R161 PolarHBondContact O-N 2.98Å; S152-R161 VanDerWaalsContact O-N 3.08Å; S152-R161 PolarHBondContact O-NH1 3.34Å; S152-R161 PolarHBondContact OG-NH1 3.05Å; I153-R161 VanDerWaalsContact C-NH1 3.3Å; I153-R161 PolarHBondContact O-NH1 2.98Å; C154-R161 HydrophobicContact CB-CG 4.41Å; D155-R161 IonicContact OD1-NH2 3.77Å; D155-R161 PolarHBondContact OD1-NH2 3.18Å; D155-R161 VanDerWaalsContact OD1-NH2 3.11Å; M159-R161 PolarHBondContact O-N 3.24Å; R161-C186 WeakPolarHBondContact CA-O 3.27Å; R161-C186 HydrophobicContact CG-CB 3.79Å; R161-Y188 HydrophobicContact CB-CE2 4.4Å; R161-Y188 HydrophobicContact CG-CE2 4.12Å
162	L	93.1	Very high	89.9	Confident	74 Å²	74	53 Å²	53	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.4	177	-59.9	176.3	0	0	0	108.9	C186 I187 Y188	L162-C186 PolarHBondContact N-O 3.38Å; L162-C186 VanDerWaalsContact N-O 3.17Å; L162-I187 WeakPolarHBondContact O-CA 3.49Å; L162-Y188 PolarHBondContact O-N 3.08Å
163	A	96.7	Very high	89.4	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.033	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.5	173.3	0	0	0	0	0	111.8	V110 L125 Y148 Y188	V110-A163 HydrophobicContact CB-CB 4.48Å; V110-A163 HydrophobicContact CG2-CB 4.31Å; L125-A163 HydrophobicContact CB-CB 4.49Å; Y148-A163 WeakPolarHBondContact CB-O 3.08Å; Y148-A163 PolarHBondContact N-O 2.91Å; Y148-A163 PolarHBondContact O-N 3.45Å; A163-Y188 CarbonylContact C-O 3.5Å; A163-Y188 VanDerWaalsContact CA-O 3.28Å; A163-Y188 WeakPolarHBondContact CA-O 2.97Å
164	E	97.1	Very high	89.1	Confident	53 Å²	53	62.1 Å²	62.1	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.2	164.5	-174.3	-171.6	163.5	0	0	108.8	S145 Q146 F147 Q166 Y188 L189 L190	S145-E164 WeakPolarHBondContact CB-OE1 3.42Å; S145-E164 PolarHBondContact OG-OE1 2.81Å; Q146-E164 WeakPolarHBondContact O-CA 3.08Å; F147-E164 HydrophobicContact CD1-CB 4.49Å; F147-E164 HydrophobicContact CD1-CG 4.17Å; F147-E164 HydrophobicContact CE1-CG 3.99Å; E164-Q166 HydrophobicContact CG-CG 4.28Å; E164-Q166 WeakPolarHBondContact OE1-CG 3.34Å; E164-Q166 PolarHBondContact OE1-NE2 3.35Å; E164-Y188 PolarHBondContact N-O 3.5Å; E164-L189 HydrophobicContact CB-CD1 3.92Å; E164-L189 HydrophobicContact CG-CD1 4.12Å; E164-L189 WeakPolarHBondContact O-CA 3.46Å; E164-L190 PolarHBondContact O-N 3.36Å
165	V	97.2	Very high	89.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.6	175.9	-176.6	0	0	0	0	108.9	F104 V110 S145 Q146 Y148 F167 L190 I192	F104-V165 HydrophobicContact CD2-CG1 4.17Å; F104-V165 HydrophobicContact CD2-CG2 3.96Å; F104-V165 HydrophobicContact CE2-CB 4.17Å; F104-V165 HydrophobicContact CE2-CG1 3.72Å; F104-V165 HydrophobicContact CE2-CG2 3.78Å; F104-V165 HydrophobicContact CZ-CG1 3.9Å; V110-V165 HydrophobicContact CG2-CG2 3.99Å; S145-V165 CarbonylContact C-O 3.59Å; S145-V165 WeakPolarHBondContact CA-O 3.49Å; Q146-V165 HydrophobicContact CB-CB 4.5Å; Q146-V165 PolarHBondContact N-O 3.48Å; Q146-V165 PolarHBondContact O-N 2.89Å; Y148-V165 HydrophobicContact CD2-CB 4.36Å; Y148-V165 HydrophobicContact CD2-CG2 3.64Å; Y148-V165 HydrophobicContact CE2-CB 3.96Å; Y148-V165 HydrophobicContact CE2-CG2 3.52Å; V165-F167 HydrophobicContact CB-CE2 4.45Å; V165-F167 HydrophobicContact CG1-CE2 3.98Å; V165-F167 HydrophobicContact CG1-CZ 3.96Å; V165-L190 CarbonylContact C-O 3.54Å; V165-L190 WeakPolarHBondContact CA-O 3.39Å; V165-L190 HydrophobicContact CG1-CB 4.47Å; V165-L190 HydrophobicContact CG2-CB 4.27Å; V165-I192 HydrophobicContact CG1-CD1 4.15Å; V165-I192 HydrophobicContact CG1-CG1 3.39Å
166	Q	95.3	Very high	89.3	Confident	15 Å²	15	60.5 Å²	60.5	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.3	-179.9	-67.5	-177.8	-11.1	0	0	110.8	Y143 H144 E164 L189 L190 K191 I192	Y143-Q166 HydrophobicContact CD2-CB 4.09Å; Y143-Q166 HydrophobicContact CD2-CG 3.8Å; Y143-Q166 HydrophobicContact CE2-CG 3.83Å; H144-Q166 CarbonylContact O-C 3.42Å; H144-Q166 WeakPolarHBondContact O-CA 3.05Å; E164-Q166 HydrophobicContact CG-CG 4.28Å; E164-Q166 WeakPolarHBondContact OE1-CG 3.34Å; E164-Q166 PolarHBondContact OE1-NE2 3.35Å; Q166-L189 HydrophobicContact CG-CD1 3.87Å; Q166-L190 PolarHBondContact N-O 3.4Å; Q166-K191 HydrophobicContact CB-CG 4.23Å; Q166-K191 CarbonylContact O-C 3.58Å; Q166-K191 WeakPolarHBondContact O-CA 3.4Å; Q166-K191 VanDerWaalsContact OE1-CE 3.31Å; Q166-I192 PolarHBondContact O-N 2.88Å
167	F	93.7	Very high	89.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.3	174.4	-58	-94.7	0	0	0	109.5	L84 F87 F104 F106 Y143 H144 Q146 V165 I192 T194 L197	L84-F167 HydrophobicContact CD2-CB 4.24Å; L84-F167 HydrophobicContact CD2-CD1 3.94Å; L84-F167 HydrophobicContact CD2-CG 4.05Å; F87-F167 HydrophobicContact CD2-CD1 4.31Å; F87-F167 HydrophobicContact CD2-CE1 4.16Å; F87-F167 AromaticContact CE2-CD1 3.91Å; F87-F167 HydrophobicContact CE2-CD1 3.91Å; F87-F167 AromaticContact CE2-CE1 3.92Å; F87-F167 HydrophobicContact CE2-CE1 3.92Å; F87-F167 HydrophobicContact CZ-CE1 4.34Å; F104-F167 HydrophobicContact CE1-CE1 4.14Å; F104-F167 HydrophobicContact CE1-CZ 4.28Å; F104-F167 HydrophobicContact CZ-CE1 4.06Å; F104-F167 AromaticContact CZ-CZ 3.72Å; F104-F167 HydrophobicContact CZ-CZ 3.72Å; F106-F167 AromaticContact CD2-CE1 3.72Å; F106-F167 HydrophobicContact CD2-CE1 3.72Å; F106-F167 AromaticContact CD2-CZ 3.58Å; F106-F167 HydrophobicContact CD2-CZ 3.58Å; F106-F167 AromaticContact CE2-CE1 3.78Å; F106-F167 HydrophobicContact CE2-CE1 3.78Å; F106-F167 HydrophobicContact CE2-CE2 4.37Å; F106-F167 AromaticContact CE2-CZ 3.55Å; F106-F167 HydrophobicContact CE2-CZ 3.55Å; Y143-F167 WeakPolarHBondContact CA-O 3.48Å; Y143-F167 WeakPolarHBondContact CB-O 3.3Å; H144-F167 HydrophobicContact CB-CB 4.38Å; H144-F167 AromaticContact CD2-CD2 3.84Å; H144-F167 PolarHBondContact N-O 3.01Å; H144-F167 VanDerWaalsContact N-O 3.15Å; H144-F167 WeakPolarHBondContact O-CD2 3.41Å; H144-F167 PolarHBondContact O-N 2.73Å; Q146-F167 HydrophobicContact CB-CE2 4.06Å; Q146-F167 HydrophobicContact CG-CE2 3.67Å; Q146-F167 HydrophobicContact CG-CZ 4.38Å; V165-F167 HydrophobicContact CB-CE2 4.45Å; V165-F167 HydrophobicContact CG1-CE2 3.98Å; V165-F167 HydrophobicContact CG1-CZ 3.96Å; F167-I192 HydrophobicContact CD1-CB 4.14Å; F167-I192 HydrophobicContact CD1-CG2 4.29Å; F167-I192 HydrophobicContact CE1-CB 4.49Å; F167-I192 HydrophobicContact CE1-CG2 4.49Å; F167-T194 HydrophobicContact CB-CG2 4.34Å; F167-T194 HydrophobicContact CD1-CG2 4.31Å; F167-T194 WeakPolarHBondContact CD1-OG1 3.43Å; F167-L197 HydrophobicContact CB-CD1 3.61Å; F167-L197 WeakPolarHBondContact O-CD1 3.48Å
168	V	92	Very high	90.2	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.8	-174.3	-68.4	0	0	0	0	111.1	T170 L178 I192 T194 F207	V168-T170 HydrophobicContact CG2-CG2 4Å; V168-L178 HydrophobicContact CG2-CD1 3.31Å; V168-I192 WeakPolarHBondContact CG2-O 3.37Å; V168-I192 PolarHBondContact N-O 3.48Å; V168-T194 PolarHBondContact O-N 3.19Å; V168-F207 HydrophobicContact CB-CE2 3.9Å; V168-F207 HydrophobicContact CB-CZ 4.32Å; V168-F207 HydrophobicContact CG1-CE2 3.9Å; V168-F207 HydrophobicContact CG1-CZ 3.79Å
169	C	88.9	Confident	90.4	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.115	26%	0.262	C	S	.	.			trans	-74.4	130.7	164.7	170.1	0	0	0	0	109.2	L197 C198 F203	C169-L197 HydrophobicContact CB-CB 4.39Å; C169-C198 VanDerWaalsContact CA-SG 3.51Å; C169-C198 HydrophobicContact CB-CB 4.1Å; C169-C198 WeakPolarHBondContact CB-SG 3.24Å; C169-C198 WeakPolarHBondContact SG-CA 3.44Å; C169-C198 WeakPolarHBondContact SG-CB 3.24Å; C169-C198 CovalentContact SG-SG 2.03Å; C169-C198 PolarHBondContact SG-SG 3.04Å; C169-F203 HydrophobicContact CB-CB 4.08Å; C169-F203 WeakPolarHBondContact CB-O 3.38Å
170	T	84.9	Confident	90.6	Very high	35 Å²	35	47.4 Å²	47.4	22%	0.215	24%	0.242	C	C	.	.			trans	-143.3	165.4	176.3	55.7	0	0	0	0	108.7	V168 S172 L178 S193	V168-T170 HydrophobicContact CG2-CG2 4Å; T170-S172 PolarHBondContact O-N 2.93Å; T170-L178 HydrophobicContact CG2-CD1 3.62Å; T170-S193 PolarHBondContact OG1-OG 3.02Å
171	D	80.7	Confident	90.5	Very high	162 Å²	162	49.2 Å²	49.2	87%	0.866	25%	0.247	S	C	*	.	S	Bend	trans	-65.6	-4.2	179.7	-58.5	-36.6	0	0	0	114.5
172	S	80.5	Confident	90.3	Very high	46 Å²	46	52.5 Å²	52.5	32%	0.322	26%	0.263	S	S	.	.			trans	-73.1	143.7	177.1	-62.6	0	0	0	0	111.2	T170 H176 S193 P195	T170-S172 PolarHBondContact O-N 2.93Å; S172-H176 VanDerWaalsContact CB-CE1 3.43Å; S172-H176 WeakPolarHBondContact CB-CE1 3.42Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; S172-S193 WeakPolarHBondContact CB-OG 3.49Å; S172-P195 WeakPolarHBondContact O-CG 3.42Å
173	R	82.7	Confident	89.6	Confident	238 Å²	238	53.2 Å²	53.2	90%	0.898	27%	0.272	S	S	*	.	S	Bend	trans	-91.7	-5.5	-178.2	-60.7	-175.4	-175.4	-176	0.9	114.2	P195	R173-P195 VanDerWaalsContact C-CG 3.49Å
174	T	84.7	Confident	89.1	Confident	91 Å²	91	59.2 Å²	59.2	56%	0.558	30%	0.3	S	S	*	.	S	Bend	trans	-125.6	148.1	-173.3	56.1	0	0	0	0	111.5	H176	T174-H176 PolarHBondContact O-N 3.06Å; T174-H176 PolarHBondContact O-ND1 3.47Å
175	F	89.1	Confident	88.4	Confident	26 Å²	26	60 Å²	60	11%	0.114	31%	0.311	C	S	.	.			trans	-69.1	118.2	170.3	-61.4	-75.7	0	0	0	110.2	M86 F87 F90 L93 S193 T194	M86-F175 HydrophobicContact SD-CE2 4.19Å; M86-F175 HydrophobicContact SD-CZ 4.15Å; F87-F175 AromaticContact CD2-CD1 3.6Å; F87-F175 HydrophobicContact CD2-CD1 3.6Å; F87-F175 AromaticContact CD2-CE1 3.55Å; F87-F175 HydrophobicContact CD2-CE1 3.55Å; F87-F175 HydrophobicContact CD2-CG 4.41Å; F87-F175 HydrophobicContact CD2-CZ 4.39Å; F87-F175 HydrophobicContact CE1-CB 4.14Å; F87-F175 HydrophobicContact CE1-CD1 4.22Å; F87-F175 HydrophobicContact CE1-CG 4.32Å; F87-F175 HydrophobicContact CE2-CB 4.29Å; F87-F175 AromaticContact CE2-CD1 3.01Å; F87-F175 HydrophobicContact CE2-CD1 3.01Å; F87-F175 AromaticContact CE2-CE1 3.43Å; F87-F175 HydrophobicContact CE2-CE1 3.43Å; F87-F175 VanDerWaalsContact CE2-CE1 3.43Å; F87-F175 AromaticContact CE2-CG 3.89Å; F87-F175 HydrophobicContact CE2-CG 3.89Å; F87-F175 HydrophobicContact CG-CD1 4.41Å; F87-F175 HydrophobicContact CG-CE1 4.45Å; F87-F175 HydrophobicContact CZ-CB 3.71Å; F87-F175 AromaticContact CZ-CD1 3.36Å; F87-F175 HydrophobicContact CZ-CD1 3.36Å; F87-F175 HydrophobicContact CZ-CE1 4.2Å; F87-F175 AromaticContact CZ-CG 3.79Å; F87-F175 HydrophobicContact CZ-CG 3.79Å; F90-F175 HydrophobicContact CD1-CD2 4.32Å; F90-F175 AromaticContact CD2-CD2 3.92Å; F90-F175 HydrophobicContact CD2-CD2 3.92Å; F90-F175 HydrophobicContact CD2-CE2 4Å; F90-F175 AromaticContact CE1-CD2 3.94Å; F90-F175 HydrophobicContact CE1-CD2 3.94Å; F90-F175 HydrophobicContact CE1-CE2 4.38Å; F90-F175 AromaticContact CE2-CD2 3.49Å; F90-F175 HydrophobicContact CE2-CD2 3.49Å; F90-F175 VanDerWaalsContact CE2-CD2 3.49Å; F90-F175 AromaticContact CE2-CE2 3.25Å; F90-F175 HydrophobicContact CE2-CE2 3.25Å; F90-F175 HydrophobicContact CE2-CZ 4.22Å; F90-F175 HydrophobicContact CG-CD2 4.32Å; F90-F175 AromaticContact CZ-CD2 3.5Å; F90-F175 HydrophobicContact CZ-CD2 3.5Å; F90-F175 AromaticContact CZ-CE2 3.49Å; F90-F175 HydrophobicContact CZ-CE2 3.49Å; F90-F175 VanDerWaalsContact CZ-CE2 3.49Å; L93-F175 HydrophobicContact CD1-CB 4.38Å; L93-F175 HydrophobicContact CD2-CB 4.26Å; L93-F175 WeakPolarHBondContact CD2-O 3.47Å; F175-S193 WeakPolarHBondContact CA-O 3.43Å; F175-T194 HydrophobicContact CD1-CG2 4.23Å; F175-T194 HydrophobicContact CE1-CG2 3.72Å
176	H	91.6	Very high	88	Confident	60 Å²	60	60.2 Å²	60.2	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	159.6	176.8	67	-75.8	0	0	0	111.2	S172 T174 L178 S193	S172-H176 VanDerWaalsContact CB-CE1 3.43Å; S172-H176 WeakPolarHBondContact CB-CE1 3.42Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; T174-H176 PolarHBondContact O-N 3.06Å; T174-H176 PolarHBondContact O-ND1 3.47Å; H176-L178 WeakPolarHBondContact NE2-CD2 3.44Å; H176-L178 PolarHBondContact O-N 3.03Å; H176-S193 WeakPolarHBondContact CE1-CB 3.28Å; H176-S193 PolarHBondContact CE1-OG 2.74Å; H176-S193 WeakPolarHBondContact ND1-CB 3.37Å; H176-S193 PolarHBondContact O-N 3.35Å
177	I	93.6	Very high	87.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116.1	177.6	-55.2	165.7	0	0	0	108.5	L93 V95 F104 V180 I192	L93-I177 HydrophobicContact CB-CD1 4.06Å; L93-I177 HydrophobicContact CB-CG1 3.88Å; L93-I177 HydrophobicContact CD1-CG1 4.44Å; V95-I177 HydrophobicContact CB-CB 4.05Å; V95-I177 HydrophobicContact CB-CD1 4.19Å; V95-I177 HydrophobicContact CB-CG2 4.48Å; V95-I177 HydrophobicContact CG1-CB 3.74Å; V95-I177 HydrophobicContact CG1-CD1 3.73Å; V95-I177 HydrophobicContact CG1-CG1 4.33Å; V95-I177 HydrophobicContact CG1-CG2 3.67Å; F104-I177 HydrophobicContact CB-CD1 4.1Å; I177-V180 HydrophobicContact CG2-CG2 3.61Å; I177-I192 HydrophobicContact CB-CD1 4.13Å; I177-I192 HydrophobicContact CG1-CD1 3.63Å; I177-I192 HydrophobicContact CG2-CD1 4.16Å
178	L	90.4	Very high	88	Confident	64 Å²	64	62.6 Å²	62.6	34%	0.335	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-52.9	177.8	-69.7	163.9	0	0	0	111.4	V168 T170 H176 K191	V168-L178 HydrophobicContact CG2-CD1 3.31Å; T170-L178 HydrophobicContact CG2-CD1 3.62Å; H176-L178 WeakPolarHBondContact NE2-CD2 3.44Å; H176-L178 PolarHBondContact O-N 3.03Å; L178-K191 HydrophobicContact CB-CB 4.21Å; L178-K191 WeakPolarHBondContact CB-O 3.46Å; L178-K191 PolarHBondContact N-O 3.5Å
179	S	91.2	Very high	88.2	Confident	17 Å²	17	63.5 Å²	63.5	12%	0.119	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.9	177.8	77.6	0	0	0	0	112	E181 L190 K191	S179-E181 PolarHBondContact OG-OE1 3.02Å; S179-L190 CarbonylContact O-C 3.6Å; S179-L190 WeakPolarHBondContact O-CA 3.34Å; S179-K191 PolarHBondContact N-O 2.97Å; S179-K191 PolarHBondContact O-N 3.32Å
180	V	92.5	Very high	88.5	Confident	13 Å²	13	62.7 Å²	62.7	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.5	170	-172.3	0	0	0	0	103.9	V95 K97 Y102 I177 L189 L190	V95-V180 HydrophobicContact CG1-CG2 3.84Å; K97-V180 HydrophobicContact CD-CB 4.16Å; K97-V180 HydrophobicContact CD-CG2 4.36Å; Y102-V180 HydrophobicContact CD1-CG1 3.75Å; Y102-V180 HydrophobicContact CD2-CB 4.15Å; Y102-V180 HydrophobicContact CD2-CG1 4.01Å; Y102-V180 HydrophobicContact CD2-CG2 3.91Å; Y102-V180 HydrophobicContact CE1-CG1 3.67Å; Y102-V180 HydrophobicContact CE2-CB 4.22Å; Y102-V180 HydrophobicContact CE2-CG1 3.93Å; Y102-V180 HydrophobicContact CE2-CG2 4.47Å; Y102-V180 HydrophobicContact CG-CB 4.39Å; Y102-V180 HydrophobicContact CG-CG1 3.92Å; Y102-V180 HydrophobicContact CG-CG2 3.99Å; I177-V180 HydrophobicContact CG2-CG2 3.61Å; V180-L189 WeakPolarHBondContact CA-O 3.17Å; V180-L190 HydrophobicContact CG1-CD1 4.12Å; V180-L190 HydrophobicContact CG1-CG 4.11Å; V180-L190 HydrophobicContact CG2-CD2 4.48Å; V180-L190 HydrophobicContact CG2-CG 4.14Å
181	E	89.6	Confident	89	Confident	82 Å²	82	63.7 Å²	63.7	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.4	-176.2	-68.7	164.6	-140.4	0	0	108.2	S179 P183 Y188 L189	S179-E181 PolarHBondContact OG-OE1 3.02Å; E181-P183 VanDerWaalsContact C-CD 3.45Å; E181-P183 WeakPolarHBondContact O-CD 3.48Å; E181-Y188 CarbonylContact O-C 3.57Å; E181-Y188 WeakPolarHBondContact O-CA 3.49Å; E181-L189 HydrophobicContact CB-CB 4.36Å; E181-L189 PolarHBondContact N-O 3.43Å; E181-L189 PolarHBondContact O-N 3.1Å
182	E	90.1	Very high	89.6	Confident	89 Å²	89	56 Å²	56	42%	0.416	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	74.9	174.4	-173.4	175.2	168	0	0	107.9	E184 S185 C186 I187 Y188	E182-E184 WeakPolarHBondContact CG-O 3.43Å; E182-E184 PolarHBondContact O-N 3.06Å; E182-S185 WeakPolarHBondContact OE1-CA 3.33Å; E182-C186 PolarHBondContact OE1-N 3.36Å; E182-I187 WeakPolarHBondContact CA-O 3.36Å; E182-Y188 HydrophobicContact CB-CD1 4.22Å; E182-Y188 HydrophobicContact CB-CE1 4.16Å; E182-Y188 HydrophobicContact CG-CD1 4.34Å; E182-Y188 HydrophobicContact CG-CE1 4.04Å; E182-Y188 WeakPolarHBondContact OE2-CE1 3.35Å; E182-Y188 PolarHBondContact OE2-OH 3.09Å
183	P	79.8	Confident	90.2	Very high	90 Å²	90	53.8 Å²	53.8	58%	0.584	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	-34.5	-174.4	21.5	-34.6	0	0	0	113.2	E181 I187 L189	E181-P183 VanDerWaalsContact C-CD 3.45Å; E181-P183 WeakPolarHBondContact O-CD 3.48Å; P183-I187 VanDerWaalsContact CD-O 3.24Å; P183-I187 WeakPolarHBondContact CD-O 3.38Å; P183-L189 HydrophobicContact CG-CB 4.32Å
184	E	84.8	Confident	90.6	Very high	129 Å²	129	42.4 Å²	42.4	60%	0.603	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.8	168.8	-60.4	-174.4	-174.8	0	0	108.9	E182 C186 I187	E182-E184 WeakPolarHBondContact CG-O 3.43Å; E182-E184 PolarHBondContact O-N 3.06Å; E184-C186 PolarHBondContact O-N 3.37Å; E184-C186 VanDerWaalsContact O-N 3.13Å; E184-I187 HydrophobicContact CB-CB 4.13Å; E184-I187 HydrophobicContact CB-CD1 4.04Å; E184-I187 HydrophobicContact CB-CG1 4.21Å; E184-I187 PolarHBondContact O-N 3.27Å; E184-I187 VanDerWaalsContact O-O 3.1Å; E184-I187 WeakPolarHBondContact OE2-CD1 3.44Å
185	S	83.2	Confident	90.8	Very high	70 Å²	70	39.5 Å²	39.5	49%	0.49	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	123.1	179.6	-60.3	0	0	0	0	111.1	E182 I187	E182-S185 WeakPolarHBondContact OE1-CA 3.33Å; S185-I187 VanDerWaalsContact C-N 3.26Å; S185-I187 PolarHBondContact O-N 3.48Å
186	C	89.8	Confident	90.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.034	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	13.6	-177.1	-65.7	0	0	0	0	116.5	C154 R161 L162 E182 E184	C154-C186 HydrophobicContact CB-CB 3.46Å; C154-C186 VanDerWaalsContact CB-CB 3.46Å; C154-C186 WeakPolarHBondContact CB-SG 3.49Å; C154-C186 WeakPolarHBondContact SG-CB 3.45Å; C154-C186 CovalentContact SG-SG 2.01Å; C154-C186 PolarHBondContact SG-SG 3.02Å; R161-C186 WeakPolarHBondContact CA-O 3.27Å; R161-C186 HydrophobicContact CG-CB 3.79Å; L162-C186 PolarHBondContact N-O 3.38Å; L162-C186 VanDerWaalsContact N-O 3.17Å; E182-C186 PolarHBondContact OE1-N 3.36Å; E184-C186 PolarHBondContact O-N 3.37Å; E184-C186 VanDerWaalsContact O-N 3.13Å
187	I	92.6	Very high	90.7	Very high	58 Å²	58	36.5 Å²	36.5	30%	0.297	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.7	169.2	-56.3	-173.8	0	0	0	108	L162 E182 P183 E184 S185	L162-I187 WeakPolarHBondContact O-CA 3.49Å; E182-I187 WeakPolarHBondContact CA-O 3.36Å; P183-I187 VanDerWaalsContact CD-O 3.24Å; P183-I187 WeakPolarHBondContact CD-O 3.38Å; E184-I187 HydrophobicContact CB-CB 4.13Å; E184-I187 HydrophobicContact CB-CD1 4.04Å; E184-I187 HydrophobicContact CB-CG1 4.21Å; E184-I187 PolarHBondContact O-N 3.27Å; E184-I187 VanDerWaalsContact O-O 3.1Å; E184-I187 WeakPolarHBondContact OE2-CD1 3.44Å; S185-I187 VanDerWaalsContact C-N 3.26Å; S185-I187 PolarHBondContact O-N 3.48Å
188	Y	96.1	Very high	90.4	Very high	6 Å²	6	38.1 Å²	38.1	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.3	-173.4	-62.5	-90.6	0	0	0	111.5	Y102 L125 R161 L162 A163 E164 E181 E182	Y102-Y188 HydrophobicContact CE1-CD1 4.44Å; Y102-Y188 HydrophobicContact CE1-CE1 4.39Å; L125-Y188 HydrophobicContact CB-CD2 4.26Å; L125-Y188 HydrophobicContact CD1-CD1 3.98Å; L125-Y188 HydrophobicContact CD1-CD2 4.03Å; L125-Y188 HydrophobicContact CD1-CE1 4.29Å; L125-Y188 HydrophobicContact CD1-CE2 4.34Å; L125-Y188 HydrophobicContact CD1-CG 3.85Å; L125-Y188 HydrophobicContact CD2-CD2 3.9Å; L125-Y188 HydrophobicContact CD2-CE1 4.37Å; L125-Y188 HydrophobicContact CD2-CE2 3.51Å; L125-Y188 HydrophobicContact CD2-CG 4.49Å; L125-Y188 HydrophobicContact CG-CD2 4.29Å; L125-Y188 HydrophobicContact CG-CE2 4.38Å; R161-Y188 HydrophobicContact CB-CE2 4.4Å; R161-Y188 HydrophobicContact CG-CE2 4.12Å; L162-Y188 PolarHBondContact O-N 3.08Å; A163-Y188 CarbonylContact C-O 3.5Å; A163-Y188 VanDerWaalsContact CA-O 3.28Å; A163-Y188 WeakPolarHBondContact CA-O 2.97Å; E164-Y188 PolarHBondContact N-O 3.5Å; E181-Y188 CarbonylContact O-C 3.57Å; E181-Y188 WeakPolarHBondContact O-CA 3.49Å; E182-Y188 HydrophobicContact CB-CD1 4.22Å; E182-Y188 HydrophobicContact CB-CE1 4.16Å; E182-Y188 HydrophobicContact CG-CD1 4.34Å; E182-Y188 HydrophobicContact CG-CE1 4.04Å; E182-Y188 WeakPolarHBondContact OE2-CE1 3.35Å; E182-Y188 PolarHBondContact OE2-OH 3.09Å
189	L	95.5	Very high	90	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.136	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114	173.2	179.2	64.1	0	0	0	109.1	E164 Q166 V180 E181 P183	E164-L189 HydrophobicContact CB-CD1 3.92Å; E164-L189 HydrophobicContact CG-CD1 4.12Å; E164-L189 WeakPolarHBondContact O-CA 3.46Å; Q166-L189 HydrophobicContact CG-CD1 3.87Å; V180-L189 WeakPolarHBondContact CA-O 3.17Å; E181-L189 HydrophobicContact CB-CB 4.36Å; E181-L189 PolarHBondContact N-O 3.43Å; E181-L189 PolarHBondContact O-N 3.1Å; P183-L189 HydrophobicContact CG-CB 4.32Å
190	L	96.2	Very high	89.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.1	177.2	-74.6	75.5	0	0	0	109.5	F104 V110 E164 V165 Q166 S179 V180 I192	F104-L190 HydrophobicContact CB-CD2 4.31Å; V110-L190 HydrophobicContact CG1-CD1 4.13Å; V110-L190 HydrophobicContact CG1-CD2 3.64Å; E164-L190 PolarHBondContact O-N 3.36Å; V165-L190 CarbonylContact C-O 3.54Å; V165-L190 WeakPolarHBondContact CA-O 3.39Å; V165-L190 HydrophobicContact CG1-CB 4.47Å; V165-L190 HydrophobicContact CG2-CB 4.27Å; Q166-L190 PolarHBondContact N-O 3.4Å; S179-L190 CarbonylContact O-C 3.6Å; S179-L190 WeakPolarHBondContact O-CA 3.34Å; V180-L190 HydrophobicContact CG1-CD1 4.12Å; V180-L190 HydrophobicContact CG1-CG 4.11Å; V180-L190 HydrophobicContact CG2-CD2 4.48Å; V180-L190 HydrophobicContact CG2-CG 4.14Å; L190-I192 HydrophobicContact CB-CD1 4.38Å
191	K	94.6	Very high	89.3	Confident	56 Å²	56	42.1 Å²	42.1	24%	0.243	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	170.8	-69.1	-179.6	-178.3	166.6	0	109.8	Q166 L178 S179	Q166-K191 HydrophobicContact CB-CG 4.23Å; Q166-K191 CarbonylContact O-C 3.58Å; Q166-K191 WeakPolarHBondContact O-CA 3.4Å; Q166-K191 VanDerWaalsContact OE1-CE 3.31Å; L178-K191 HydrophobicContact CB-CB 4.21Å; L178-K191 WeakPolarHBondContact CB-O 3.46Å; L178-K191 PolarHBondContact N-O 3.5Å; S179-K191 PolarHBondContact N-O 2.97Å; S179-K191 PolarHBondContact O-N 3.32Å
192	I	93.8	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.5	-174.5	-50.2	-60.3	0	0	0	109.3	F87 L93 F104 V165 Q166 F167 V168 I177 L190 T194	F87-I192 HydrophobicContact CE2-CG2 4.06Å; F87-I192 HydrophobicContact CZ-CG2 3.54Å; L93-I192 HydrophobicContact CD1-CG2 3.72Å; F104-I192 HydrophobicContact CD1-CD1 4.09Å; F104-I192 HydrophobicContact CD1-CG1 4.42Å; F104-I192 HydrophobicContact CE1-CG1 4.41Å; F104-I192 HydrophobicContact CG-CD1 4.32Å; V165-I192 HydrophobicContact CG1-CD1 4.15Å; V165-I192 HydrophobicContact CG1-CG1 3.39Å; Q166-I192 PolarHBondContact O-N 2.88Å; F167-I192 HydrophobicContact CD1-CB 4.14Å; F167-I192 HydrophobicContact CD1-CG2 4.29Å; F167-I192 HydrophobicContact CE1-CB 4.49Å; F167-I192 HydrophobicContact CE1-CG2 4.49Å; V168-I192 WeakPolarHBondContact CG2-O 3.37Å; V168-I192 PolarHBondContact N-O 3.48Å; I177-I192 HydrophobicContact CB-CD1 4.13Å; I177-I192 HydrophobicContact CG1-CD1 3.63Å; I177-I192 HydrophobicContact CG2-CD1 4.16Å; L190-I192 HydrophobicContact CB-CD1 4.38Å; I192-T194 PolarHBondContact O-N 3.09Å; I192-T194 PolarHBondContact O-OG1 3.28Å
193	S	91.7	Very high	88.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	119.9	169.2	-177.5	0	0	0	0	108.7	T170 S172 F175 H176	T170-S193 PolarHBondContact OG1-OG 3.02Å; S172-S193 WeakPolarHBondContact CB-OG 3.49Å; F175-S193 WeakPolarHBondContact CA-O 3.43Å; H176-S193 WeakPolarHBondContact CE1-CB 3.28Å; H176-S193 PolarHBondContact CE1-OG 2.74Å; H176-S193 WeakPolarHBondContact ND1-CB 3.37Å; H176-S193 PolarHBondContact O-N 3.35Å
194	T	91.7	Very high	88.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.209	C	C	.	.			trans	-132.2	84.2	-171.9	-53.4	0	0	0	0	108.9	L84 F87 F167 V168 F175 I192 S196 L197	L84-T194 HydrophobicContact CD2-CG2 3.64Å; F87-T194 HydrophobicContact CD2-CG2 4.15Å; F87-T194 HydrophobicContact CE2-CG2 3.88Å; F167-T194 HydrophobicContact CB-CG2 4.34Å; F167-T194 HydrophobicContact CD1-CG2 4.31Å; F167-T194 WeakPolarHBondContact CD1-OG1 3.43Å; V168-T194 PolarHBondContact O-N 3.19Å; F175-T194 HydrophobicContact CD1-CG2 4.23Å; F175-T194 HydrophobicContact CE1-CG2 3.72Å; I192-T194 PolarHBondContact O-N 3.09Å; I192-T194 PolarHBondContact O-OG1 3.28Å; T194-S196 PolarHBondContact O-N 3.45Å; T194-S196 VanDerWaalsContact O-N 3.17Å; T194-L197 HydrophobicContact CG2-CB 4.4Å; T194-L197 HydrophobicContact CG2-CD1 3.81Å; T194-L197 HydrophobicContact CG2-CG 3.62Å; T194-L197 PolarHBondContact O-N 3.26Å; T194-L197 VanDerWaalsContact O-N 3.09Å
195	P	89.3	Confident	87.7	Confident	30 Å²	30	28.7 Å²	28.7	20%	0.195	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.8	-173.7	-21.3	31.2	0	0	0	113.5	S172 R173 L197 C198	S172-P195 WeakPolarHBondContact O-CG 3.42Å; R173-P195 VanDerWaalsContact C-CG 3.49Å; P195-L197 VanDerWaalsContact C-N 3.26Å; P195-L197 PolarHBondContact O-N 3.19Å; P195-C198 WeakPolarHBondContact O-CB 3.37Å; P195-C198 PolarHBondContact O-N 3.08Å; P195-C198 VanDerWaalsContact O-N 3.08Å
196	S	88.9	Confident	86.2	Confident	22 Å²	22	33.2 Å²	33.2	15%	0.154	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.2	-29.5	177.3	59	0	0	0	0	113.3	L83 T194 C198 G199	L83-S196 WeakPolarHBondContact O-CB 3.47Å; L83-S196 PolarHBondContact O-OG 3.06Å; T194-S196 PolarHBondContact O-N 3.45Å; T194-S196 VanDerWaalsContact O-N 3.17Å; S196-C198 PolarHBondContact O-N 2.96Å; S196-G199 PolarHBondContact O-N 3.08Å
197	L	89.7	Confident	84.3	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.5	-25.6	175.3	-68.4	178.1	0	0	0	112.2	L83 L84 F167 C169 T194 P195 G199 N200 F203	L83-L197 HydrophobicContact CB-CD2 3.91Å; L83-L197 HydrophobicContact CD1-CD2 4.08Å; L84-L197 HydrophobicContact CD2-CD1 4.38Å; L84-L197 HydrophobicContact CD2-CD2 4.1Å; L84-L197 HydrophobicContact CD2-CG 4.24Å; L84-L197 HydrophobicContact CG-CD2 4.25Å; F167-L197 HydrophobicContact CB-CD1 3.61Å; F167-L197 WeakPolarHBondContact O-CD1 3.48Å; C169-L197 HydrophobicContact CB-CB 4.39Å; T194-L197 HydrophobicContact CG2-CB 4.4Å; T194-L197 HydrophobicContact CG2-CD1 3.81Å; T194-L197 HydrophobicContact CG2-CG 3.62Å; T194-L197 PolarHBondContact O-N 3.26Å; T194-L197 VanDerWaalsContact O-N 3.09Å; P195-L197 VanDerWaalsContact C-N 3.26Å; P195-L197 PolarHBondContact O-N 3.19Å; L197-G199 PolarHBondContact O-N 3.34Å; L197-G199 VanDerWaalsContact O-N 3.12Å; L197-N200 PolarHBondContact O-N 2.85Å; L197-N200 VanDerWaalsContact O-N 3.08Å; L197-F203 HydrophobicContact CB-CB 4.01Å; L197-F203 HydrophobicContact CB-CD2 3.94Å; L197-F203 HydrophobicContact CB-CG 4.01Å; L197-F203 HydrophobicContact CD2-CD2 3.87Å; L197-F203 HydrophobicContact CD2-CE2 3.74Å; L197-F203 HydrophobicContact CD2-CG 4.44Å; L197-F203 HydrophobicContact CD2-CZ 4.17Å; L197-F203 HydrophobicContact CG-CD2 4.39Å; L197-F203 WeakPolarHBondContact O-CB 3.41Å
198	C	87.2	Confident	82.1	Confident	43 Å²	43	37.5 Å²	37.5	29%	0.291	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.8	179.2	-58.2	0	0	0	0	113.7	C169 P195 S196 N200	C169-C198 VanDerWaalsContact CA-SG 3.51Å; C169-C198 HydrophobicContact CB-CB 4.1Å; C169-C198 WeakPolarHBondContact CB-SG 3.24Å; C169-C198 WeakPolarHBondContact SG-CA 3.44Å; C169-C198 WeakPolarHBondContact SG-CB 3.24Å; C169-C198 CovalentContact SG-SG 2.03Å; C169-C198 PolarHBondContact SG-SG 3.04Å; P195-C198 WeakPolarHBondContact O-CB 3.37Å; P195-C198 PolarHBondContact O-N 3.08Å; P195-C198 VanDerWaalsContact O-N 3.08Å; S196-C198 PolarHBondContact O-N 2.96Å; C198-N200 PolarHBondContact O-N 2.92Å
199	G	82.7	Confident	79.9	Confident	74 Å²	74	43.7 Å²	43.7	76%	0.763	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17.1	172.6	0	0	0	0	0	113.8	S196 L197	S196-G199 PolarHBondContact O-N 3.08Å; L197-G199 PolarHBondContact O-N 3.34Å; L197-G199 VanDerWaalsContact O-N 3.12Å
200	N	86.2	Confident	77.9	Confident	31 Å²	31	50 Å²	50	17%	0.166	30%	0.298	C	S	.	.	S	Bend	trans	-108.3	128.7	176.4	-170.9	-55.4	0	0	0	110.9	L75 L83 L197 C198 H202 F203 A204	L75-N200 VanDerWaalsContact CD1-ND2 3.3Å; L75-N200 WeakPolarHBondContact CD1-ND2 3.36Å; L75-N200 WeakPolarHBondContact CD1-OD1 3.5Å; L83-N200 HydrophobicContact CD1-CB 4.05Å; L197-N200 PolarHBondContact O-N 2.85Å; L197-N200 VanDerWaalsContact O-N 3.08Å; C198-N200 PolarHBondContact O-N 2.92Å; N200-H202 PolarHBondContact O-N 3.2Å; N200-H202 VanDerWaalsContact O-N 3.11Å; N200-H202 WeakPolarHBondContact OD1-CB 3.24Å; N200-H202 PolarHBondContact OD1-N 3.06Å; N200-F203 HydrophobicContact CB-CD2 3.98Å; N200-F203 PolarHBondContact O-N 2.85Å; N200-F203 VanDerWaalsContact O-N 3.11Å; N200-A204 PolarHBondContact O-N 3.32Å
201	S	81.9	Confident	76.1	Confident	74 Å²	74	51.6 Å²	51.6	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-58.4	-26.3	-177.9	56.1	0	0	0	0	113.8	A205	S201-A205 PolarHBondContact O-N 3.31Å; S201-A205 VanDerWaalsContact O-N 3.11Å
202	H	83.6	Confident	75	Confident	30 Å²	30	52.7 Å²	52.7	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177.4	-173.4	-96.5	0	0	0	112.4	L75 W134 P141 N200	L75-H202 HydrophobicContact CD1-CB 3.56Å; L75-H202 HydrophobicContact CD2-CB 4.35Å; W134-H202 AromaticContact CZ3-CE1 3.91Å; P141-H202 PolarHBondContact O-CE1 3.48Å; N200-H202 PolarHBondContact O-N 3.2Å; N200-H202 VanDerWaalsContact O-N 3.11Å; N200-H202 WeakPolarHBondContact OD1-CB 3.24Å; N200-H202 PolarHBondContact OD1-N 3.06Å
203	F	86	Confident	74.2	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-83.8	-30.9	176.7	-59.3	-64.4	0	0	0	112	L75 V80 L83 W134 C169 L197 N200 A205	L75-F203 HydrophobicContact CD2-CE1 4.34Å; L75-F203 HydrophobicContact CD2-CE2 3.94Å; L75-F203 HydrophobicContact CD2-CZ 3.63Å; V80-F203 HydrophobicContact CG1-CZ 4.35Å; V80-F203 HydrophobicContact CG2-CE2 4.14Å; V80-F203 HydrophobicContact CG2-CZ 3.85Å; L83-F203 HydrophobicContact CD1-CD2 4.38Å; L83-F203 HydrophobicContact CD1-CE2 4.12Å; W134-F203 AromaticContact CH2-CE1 3.49Å; W134-F203 HydrophobicContact CH2-CE1 3.49Å; W134-F203 VanDerWaalsContact CH2-CE1 3.49Å; W134-F203 AromaticContact CH2-CZ 3.64Å; W134-F203 HydrophobicContact CH2-CZ 3.64Å; W134-F203 AromaticContact CZ2-CE1 3.64Å; W134-F203 HydrophobicContact CZ2-CE1 3.64Å; W134-F203 AromaticContact CZ2-CZ 3.57Å; W134-F203 HydrophobicContact CZ2-CZ 3.57Å; C169-F203 HydrophobicContact CB-CB 4.08Å; C169-F203 WeakPolarHBondContact CB-O 3.38Å; L197-F203 HydrophobicContact CB-CB 4.01Å; L197-F203 HydrophobicContact CB-CD2 3.94Å; L197-F203 HydrophobicContact CB-CG 4.01Å; L197-F203 HydrophobicContact CD2-CD2 3.87Å; L197-F203 HydrophobicContact CD2-CE2 3.74Å; L197-F203 HydrophobicContact CD2-CG 4.44Å; L197-F203 HydrophobicContact CD2-CZ 4.17Å; L197-F203 HydrophobicContact CG-CD2 4.39Å; L197-F203 WeakPolarHBondContact O-CB 3.41Å; N200-F203 HydrophobicContact CB-CD2 3.98Å; N200-F203 PolarHBondContact O-N 2.85Å; N200-F203 VanDerWaalsContact O-N 3.11Å; F203-A205 VanDerWaalsContact C-N 3.25Å; F203-A205 PolarHBondContact O-N 3.09Å
204	A	76.9	Confident	73.8	Confident	40 Å²	40	57.7 Å²	57.7	33%	0.331	34%	0.34	S	S	.	.	H	α-helix	trans	-73.8	-13	178.9	0	0	0	0	0	113.9	N200 Q206	N200-A204 PolarHBondContact O-N 3.32Å; A204-Q206 VanDerWaalsContact C-N 3.31Å; A204-Q206 PolarHBondContact O-N 2.85Å
205	A	63.1	Low	73.5	Confident	36 Å²	36	59.5 Å²	59.5	30%	0.298	35%	0.351	S	S	.	.	S	Bend	trans	-58.2	95.8	172.9	0	0	0	0	0	109	S201 F203 F207	S201-A205 PolarHBondContact O-N 3.31Å; S201-A205 VanDerWaalsContact O-N 3.11Å; F203-A205 VanDerWaalsContact C-N 3.25Å; F203-A205 PolarHBondContact O-N 3.09Å; A205-F207 PolarHBondContact O-N 2.88Å
206	Q	52.5	Low	73.4	Confident	166 Å²	166	58.3 Å²	58.3	78%	0.776	34%	0.343	S	S	*	.			trans	-41.4	124.3	-165.4	-65.9	176.4	-4.4	0	0	110.9	A204 S208	A204-Q206 VanDerWaalsContact C-N 3.31Å; A204-Q206 PolarHBondContact O-N 2.85Å; Q206-S208 PolarHBondContact O-N 3.48Å
207	F	49.8	Very low	73.4	Confident	85 Å²	85	59.4 Å²	59.4	37%	0.373	35%	0.346	S	S	.	.			trans	-51.8	116	151.4	-69.6	-80.8	0	0	0	105.1	K142 Y143 V168 A205 T209	K142-F207 HydrophobicContact CB-CZ 4.42Å; Y143-F207 HydrophobicContact CD1-CZ 4.46Å; V168-F207 HydrophobicContact CB-CE2 3.9Å; V168-F207 HydrophobicContact CB-CZ 4.32Å; V168-F207 HydrophobicContact CG1-CE2 3.9Å; V168-F207 HydrophobicContact CG1-CZ 3.79Å; A205-F207 PolarHBondContact O-N 2.88Å; F207-T209 VanDerWaalsContact C-N 3.31Å; F207-T209 PolarHBondContact O-N 3.41Å
208	S	47.5	Very low	73.4	Confident	68 Å²	68	60.3 Å²	60.3	48%	0.476	35%	0.352	S	S	.	.			trans	-56.3	107.1	168.1	172.4	0	0	0	0	106	Q206 K210	Q206-S208 PolarHBondContact O-N 3.48Å; S208-K210 PolarHBondContact O-N 3.48Å; S208-K210 WeakPolarHBondContact OG-CA 3.34Å; S208-K210 WeakPolarHBondContact OG-CB 3.12Å; S208-K210 WeakPolarHBondContact OG-CG 3.5Å; S208-K210 PolarHBondContact OG-N 3.3Å; S208-K210 VanDerWaalsContact OG-N 3.14Å; S208-K210 PolarHBondContact OG-O 2.93Å
209	T	48.5	Very low	73.4	Confident	136 Å²	136	58.7 Å²	58.7	83%	0.834	34%	0.341	S	S	*	.			trans	-68	-4.5	166	50.5	0	0	0	0	110.4	F207 P211	F207-T209 VanDerWaalsContact C-N 3.31Å; F207-T209 PolarHBondContact O-N 3.41Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å
210	K	53.5	Low	73.4	Confident	159 Å²	159	57 Å²	57	69%	0.691	31%	0.314	S	S	*	.	S	Bend	trans	-64.4	124.6	165.5	-51.8	-177.4	175.1	179.6	0	108.2	S208 H212	S208-K210 PolarHBondContact O-N 3.48Å; S208-K210 WeakPolarHBondContact OG-CA 3.34Å; S208-K210 WeakPolarHBondContact OG-CB 3.12Å; S208-K210 WeakPolarHBondContact OG-CG 3.5Å; S208-K210 PolarHBondContact OG-N 3.3Å; S208-K210 VanDerWaalsContact OG-N 3.14Å; S208-K210 PolarHBondContact OG-O 2.93Å; K210-H212 PolarHBondContact O-N 2.89Å
211	P	60	Low	73	Confident	32 Å²	32	56.8 Å²	56.8	21%	0.208	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-52.4	140.5	170.8	-19.9	30.4	0	0	0	109.4	T26 K27 N29 T209 D213	T26-P211 WeakPolarHBondContact O-CB 3.29Å; T26-P211 WeakPolarHBondContact O-CG 3.2Å; K27-P211 CarbonylContact O-C 3.51Å; K27-P211 VanDerWaalsContact O-CA 3.24Å; K27-P211 WeakPolarHBondContact O-CA 3.23Å; N29-P211 HydrophobicContact CB-CB 4.33Å; N29-P211 WeakPolarHBondContact OD1-CB 3.15Å; N29-P211 WeakPolarHBondContact OD1-CG 3.21Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å; P211-D213 PolarHBondContact O-N 2.88Å
212	H	69.7	Low	72.8	Confident	79 Å²	79	54.6 Å²	54.6	37%	0.366	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.5	172.5	-72.8	38.4	0	0	0	109	K27 Y28 N29 D63 K210 I214	K27-H212 PolarHBondContact O-N 3.48Å; Y28-H212 CarbonylContact C-O 3.6Å; Y28-H212 WeakPolarHBondContact CA-O 3.36Å; Y28-H212 WeakPolarHBondContact CB-O 3.45Å; Y28-H212 HydrophobicContact CD1-CB 3.6Å; Y28-H212 HydrophobicContact CE1-CB 3.82Å; N29-H212 PolarHBondContact N-O 3.5Å; D63-H212 IonicContact OD1-NE2 3.15Å; K210-H212 PolarHBondContact O-N 2.89Å; H212-I214 PolarHBondContact O-N 2.9Å
213	D	78.5	Confident	72.4	Confident	75 Å²	75	57 Å²	57	40%	0.401	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.5	-177.9	-63.5	-17.2	0	0	0	110	N29 F31 P211	N29-D213 VanDerWaalsContact CB-OD1 3.3Å; N29-D213 WeakPolarHBondContact CB-OD1 2.92Å; N29-D213 PolarHBondContact ND2-OD1 3.38Å; F31-D213 HydrophobicContact CD2-CB 3.99Å; F31-D213 HydrophobicContact CE2-CB 3.83Å; F31-D213 VanDerWaalsContact CE2-CG 3.42Å; F31-D213 WeakPolarHBondContact CE2-OD1 3.42Å; P211-D213 PolarHBondContact O-N 2.88Å
214	I	82.7	Confident	72	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.7	169.5	-54.2	-177.7	0	0	0	106.6	Y28 N29 L30 F31 C58 H212	Y28-I214 HydrophobicContact CD1-CD1 3.87Å; Y28-I214 HydrophobicContact CD1-CG1 3.99Å; Y28-I214 HydrophobicContact CG-CD1 3.81Å; Y28-I214 HydrophobicContact CG-CG1 4.27Å; N29-I214 PolarHBondContact O-N 3.46Å; L30-I214 HydrophobicContact CD1-CB 3.87Å; L30-I214 HydrophobicContact CD1-CG2 3.73Å; F31-I214 PolarHBondContact N-O 3.46Å; C58-I214 HydrophobicContact CB-CG2 3.99Å; H212-I214 PolarHBondContact O-N 2.9Å
215	T	85.1	Confident	72.2	Confident	38 Å²	38	59.6 Å²	59.6	23%	0.233	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.1	175.4	-49.8	0	0	0	0	109.3	F31 E33 C58 S59	F31-T215 CarbonylContact O-C 3.59Å; F31-T215 WeakPolarHBondContact O-CA 3.24Å; E33-T215 HydrophobicContact CG-CG2 3.59Å; C58-T215 WeakPolarHBondContact CA-O 3.48Å; S59-T215 PolarHBondContact N-O 3.43Å; S59-T215 PolarHBondContact O-N 2.91Å
216	C	88.3	Confident	73.1	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.034	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.4	179.1	-64.7	0	0	0	0	110.7	L30 F31 I32 E33 F56 S57 C58	L30-C216 WeakPolarHBondContact CD1-SG 3.11Å; F31-C216 PolarHBondContact O-N 3.17Å; I32-C216 WeakPolarHBondContact CA-O 3.34Å; E33-C216 PolarHBondContact N-O 3.24Å; F56-C216 HydrophobicContact CB-CB 4.42Å; F56-C216 HydrophobicContact CD1-CB 4.48Å; S57-C216 WeakPolarHBondContact O-CA 3.42Å; C58-C216 HydrophobicContact CB-CB 4.16Å; C58-C216 WeakPolarHBondContact CB-SG 3.29Å; C58-C216 WeakPolarHBondContact SG-CB 3.3Å; C58-C216 CovalentContact SG-SG 2.04Å; C58-C216 PolarHBondContact SG-SG 2.87Å
217	H	88.5	Confident	74.1	Confident	46 Å²	46	62.9 Å²	62.9	21%	0.213	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.7	174.2	-67.8	-86.2	0	0	0	110.7	E33 R35 V37 F56 S57 T219	E33-H217 WeakPolarHBondContact CB-CE1 3.08Å; E33-H217 VanDerWaalsContact CB-ND1 3.32Å; E33-H217 WeakPolarHBondContact CB-ND1 3.3Å; R35-H217 PolarHBondContact O-ND1 3.25Å; V37-H217 HydrophobicContact CB-CB 4.2Å; V37-H217 HydrophobicContact CG1-CB 3.65Å; V37-H217 HydrophobicContact CG2-CB 3.57Å; F56-H217 CarbonylContact C-O 3.55Å; F56-H217 WeakPolarHBondContact CA-O 3.49Å; S57-H217 PolarHBondContact N-O 3.13Å; S57-H217 PolarHBondContact O-N 3.31Å; H217-T219 PolarHBondContact O-N 2.81Å
218	P	89.6	Confident	75.5	Confident	19 Å²	19	62 Å²	62	12%	0.123	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.9	170.7	20.6	-26.5	0	0	0	109.7	E33 A36 V37 K55 F56	E33-P218 WeakPolarHBondContact O-CD 3.44Å; A36-P218 CarbonylContact C-O 3.59Å; A36-P218 WeakPolarHBondContact CA-O 3.4Å; A36-P218 HydrophobicContact CB-CB 4.47Å; A36-P218 HydrophobicContact CB-CG 4.07Å; A36-P218 WeakPolarHBondContact CB-O 3.43Å; V37-P218 PolarHBondContact N-O 3.27Å; K55-P218 CarbonylContact O-C 3.56Å; K55-P218 WeakPolarHBondContact O-CA 3.22Å; F56-P218 HydrophobicContact CD1-CB 4.16Å; F56-P218 HydrophobicContact CE1-CB 3.9Å; F56-P218 HydrophobicContact CE1-CG 4.31Å; F56-P218 HydrophobicContact CZ-CB 4.41Å
219	T	86.9	Confident	77.2	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134	178.1	56.5	0	0	0	0	110.6	V37 K55 H217	V37-T219 HydrophobicContact CG2-CG2 4.04Å; V37-T219 CarbonylContact O-C 3.41Å; V37-T219 WeakPolarHBondContact O-CA 3.31Å; K55-T219 WeakPolarHBondContact CB-OG1 3.36Å; K55-T219 WeakPolarHBondContact CD-OG1 3.22Å; K55-T219 WeakPolarHBondContact CG-OG1 3.18Å; K55-T219 PolarHBondContact O-N 2.94Å; K55-T219 PolarHBondContact O-OG1 2.69Å; H217-T219 PolarHBondContact O-N 2.81Å
220	L	81.8	Confident	78.6	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.4	171.8	-68.4	174.5	0	0	0	110.7	A36 V37 D39 D224 Y228	A36-L220 HydrophobicContact CB-CD1 3.54Å; A36-L220 HydrophobicContact CB-CG 3.82Å; V37-L220 PolarHBondContact O-N 3.33Å; D39-L220 PolarHBondContact N-O 3.2Å; L220-D224 HydrophobicContact CB-CB 4.26Å; L220-D224 HydrophobicContact CD2-CB 4.38Å; L220-Y228 HydrophobicContact CD1-CD1 4.09Å; L220-Y228 HydrophobicContact CD1-CD2 4.3Å; L220-Y228 HydrophobicContact CD1-CG 3.76Å
221	S	79.2	Confident	79.8	Confident	25 Å²	25	54.1 Å²	54.1	18%	0.175	28%	0.282	C	S	.	.			trans	-62.5	158.9	170.6	83.7	0	0	0	0	110	D224 Y225	S221-D224 PolarHBondContact O-N 3.41Å; S221-D224 VanDerWaalsContact O-N 3.13Å; S221-D224 VanDerWaalsContact OG-CG 3.26Å; S221-D224 PolarHBondContact OG-OD2 2.87Å; S221-Y225 WeakPolarHBondContact O-CB 3.24Å; S221-Y225 PolarHBondContact O-N 3.42Å
222	G	77	Confident	80.7	Confident	28 Å²	28	54.8 Å²	54.8	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-41.7	-63.4	178.7	0	0	0	0	0	114	D224 Y225 Y226	G222-D224 PolarHBondContact O-N 3.06Å; G222-Y225 PolarHBondContact O-N 3.41Å; G222-Y226 WeakPolarHBondContact O-CD2 3.3Å; G222-Y226 WeakPolarHBondContact O-CE2 3.31Å; G222-Y226 PolarHBondContact O-N 3.04Å
223	P	75.9	Confident	81.1	Confident	81 Å²	81	56 Å²	56	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-40.3	-179.8	-24.9	34.8	0	0	0	114.5	Y226 R227	P223-Y226 PolarHBondContact O-N 2.7Å; P223-R227 WeakPolarHBondContact O-CG 3.37Å; P223-R227 PolarHBondContact O-N 2.9Å; P223-R227 VanDerWaalsContact O-N 3.14Å
224	D	77.1	Confident	80.6	Confident	38 Å²	38	55.1 Å²	55.1	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-73.6	-36.6	-175.9	-60.1	-36	0	0	0	111.9	L220 S221 G222 R227 Y228	L220-D224 HydrophobicContact CB-CB 4.26Å; L220-D224 HydrophobicContact CD2-CB 4.38Å; S221-D224 PolarHBondContact O-N 3.41Å; S221-D224 VanDerWaalsContact O-N 3.13Å; S221-D224 VanDerWaalsContact OG-CG 3.26Å; S221-D224 PolarHBondContact OG-OD2 2.87Å; G222-D224 PolarHBondContact O-N 3.06Å; D224-R227 PolarHBondContact O-N 2.64Å; D224-R227 IonicContact OD1-NH1 2.66Å; D224-Y228 VanDerWaalsContact O-CB 3.31Å; D224-Y228 WeakPolarHBondContact O-CB 3.49Å; D224-Y228 PolarHBondContact O-N 2.89Å
225	Y	80.5	Confident	79.8	Confident	57 Å²	57	62.6 Å²	62.6	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-47	173.6	177.1	-97.3	0	0	0	111.1	A36 L38 S221 G222 R227 Y228 D229	A36-Y225 WeakPolarHBondContact O-CE2 3.14Å; L38-Y225 HydrophobicContact CB-CD1 4.27Å; L38-Y225 HydrophobicContact CB-CD2 4.41Å; L38-Y225 HydrophobicContact CB-CG 4.19Å; L38-Y225 VanDerWaalsContact CD1-CB 3.48Å; L38-Y225 HydrophobicContact CD1-CD1 3.62Å; L38-Y225 HydrophobicContact CD1-CG 3.63Å; S221-Y225 WeakPolarHBondContact O-CB 3.24Å; S221-Y225 PolarHBondContact O-N 3.42Å; G222-Y225 PolarHBondContact O-N 3.41Å; Y225-R227 VanDerWaalsContact C-N 3.33Å; Y225-R227 PolarHBondContact O-N 3.48Å; Y225-Y228 PolarHBondContact O-N 3.27Å; Y225-D229 HydrophobicContact CE1-CB 4.48Å; Y225-D229 VanDerWaalsContact O-CB 3.31Å; Y225-D229 WeakPolarHBondContact O-CB 3.45Å; Y225-D229 PolarHBondContact O-N 3.48Å
226	Y	81.8	Confident	78.5	Confident	143 Å²	143	65.5 Å²	65.5	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-65.8	-35.1	179.2	-64.6	-59.6	0	0	0	112.4	G222 P223 A230	G222-Y226 WeakPolarHBondContact O-CD2 3.3Å; G222-Y226 WeakPolarHBondContact O-CE2 3.31Å; G222-Y226 PolarHBondContact O-N 3.04Å; P223-Y226 PolarHBondContact O-N 2.7Å; Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.33Å; Y226-A230 PolarHBondContact O-N 3.16Å
227	R	75.2	Confident	76.9	Confident	129 Å²	129	69.8 Å²	69.8	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-48	171.7	-74.1	-178	-178.1	123.6	1.3	111.8	P223 D224 Y225 A230 L231	P223-R227 WeakPolarHBondContact O-CG 3.37Å; P223-R227 PolarHBondContact O-N 2.9Å; P223-R227 VanDerWaalsContact O-N 3.14Å; D224-R227 PolarHBondContact O-N 2.64Å; D224-R227 IonicContact OD1-NH1 2.66Å; Y225-R227 VanDerWaalsContact C-N 3.33Å; Y225-R227 PolarHBondContact O-N 3.48Å; R227-A230 PolarHBondContact O-N 3.12Å; R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.39Å; R227-L231 PolarHBondContact O-N 2.96Å
228	Y	79.1	Confident	75.1	Confident	67 Å²	67	73 Å²	73	26%	0.263	38%	0.382	S	S	.	.	H	α-helix	trans	-59	-46.7	176.9	166.8	-96.5	0	0	0	111.9	R35 A36 L220 D224 Y225 L231 N232	R35-Y228 WeakPolarHBondContact CA-OH 3.48Å; A36-Y228 HydrophobicContact CB-CD1 4.04Å; A36-Y228 HydrophobicContact CB-CE1 3.66Å; A36-Y228 HydrophobicContact CB-CE2 4.41Å; A36-Y228 PolarHBondContact N-OH 3.49Å; L220-Y228 HydrophobicContact CD1-CD1 4.09Å; L220-Y228 HydrophobicContact CD1-CD2 4.3Å; L220-Y228 HydrophobicContact CD1-CG 3.76Å; D224-Y228 VanDerWaalsContact O-CB 3.31Å; D224-Y228 WeakPolarHBondContact O-CB 3.49Å; D224-Y228 PolarHBondContact O-N 2.89Å; Y225-Y228 PolarHBondContact O-N 3.27Å; Y228-L231 PolarHBondContact O-N 3.03Å; Y228-N232 WeakPolarHBondContact CE1-ND2 3.44Å; Y228-N232 WeakPolarHBondContact CE2-ND2 3.43Å; Y228-N232 WeakPolarHBondContact O-CB 3.28Å; Y228-N232 VanDerWaalsContact O-CG 3.3Å; Y228-N232 PolarHBondContact O-N 3.41Å; Y228-N232 PolarHBondContact O-ND2 2.81Å; Y228-N232 PolarHBondContact OH-ND2 3.41Å
229	D	82	Confident	73	Confident	27 Å²	27	75.8 Å²	75.8	14%	0.144	40%	0.395	C	S	.	.	H	α-helix	trans	-64	-42.7	178.5	-177.7	56.9	0	0	0	111.7	Y225 N232 K233	Y225-D229 HydrophobicContact CE1-CB 4.48Å; Y225-D229 VanDerWaalsContact O-CB 3.31Å; Y225-D229 WeakPolarHBondContact O-CB 3.45Å; Y225-D229 PolarHBondContact O-N 3.48Å; D229-N232 PolarHBondContact O-N 2.91Å; D229-K233 WeakPolarHBondContact O-CB 3.39Å; D229-K233 VanDerWaalsContact O-CG 3.29Å; D229-K233 WeakPolarHBondContact O-CG 3.35Å; D229-K233 PolarHBondContact O-N 3.46Å; D229-K233 WeakPolarHBondContact OD1-CE 3.4Å; D229-K233 IonicContact OD1-NZ 3.85Å; D229-K233 WeakPolarHBondContact OD2-CE 3.21Å; D229-K233 IonicContact OD2-NZ 3.56Å; D229-K233 PolarHBondContact OD2-NZ 3.4Å
230	A	77.4	Confident	70.9	Confident	55 Å²	55	80.6 Å²	80.6	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.9	0	0	0	0	0	112.4	Y226 R227 K233 A234	Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.33Å; Y226-A230 PolarHBondContact O-N 3.16Å; R227-A230 PolarHBondContact O-N 3.12Å; A230-K233 PolarHBondContact O-N 3.45Å; A230-A234 WeakPolarHBondContact O-CB 3.4Å; A230-A234 PolarHBondContact O-N 2.84Å
231	L	79.4	Confident	69.3	Low	114 Å²	114	83 Å²	83	60%	0.597	44%	0.437	S	S	*	.	H	α-helix	trans	-64.2	-40.6	176.9	-71.9	170.7	0	0	0	112.2	R227 Y228 A234 R235	R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.39Å; R227-L231 PolarHBondContact O-N 2.96Å; Y228-L231 PolarHBondContact O-N 3.03Å; L231-A234 PolarHBondContact O-N 3.46Å; L231-R235 PolarHBondContact O-N 3.08Å
232	N	79	Confident	67.6	Low	46 Å²	46	84.4 Å²	84.4	25%	0.246	45%	0.446	C	S	.	.	H	α-helix	trans	-70.3	-38.3	177.6	-72.2	-26.9	0	0	0	112.4	Y228 D229 A234 R235 N236	Y228-N232 WeakPolarHBondContact CE1-ND2 3.44Å; Y228-N232 WeakPolarHBondContact CE2-ND2 3.43Å; Y228-N232 WeakPolarHBondContact O-CB 3.28Å; Y228-N232 VanDerWaalsContact O-CG 3.3Å; Y228-N232 PolarHBondContact O-N 3.41Å; Y228-N232 PolarHBondContact O-ND2 2.81Å; Y228-N232 PolarHBondContact OH-ND2 3.41Å; D229-N232 PolarHBondContact O-N 2.91Å; N232-A234 VanDerWaalsContact C-N 3.31Å; N232-R235 PolarHBondContact O-N 3.42Å; N232-N236 PolarHBondContact O-N 2.94Å
233	K	77.8	Confident	66	Low	106 Å²	106	87.2 Å²	87.2	46%	0.461	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-40.2	171.1	-77.2	170.4	175.1	168.8	0	111.5	D229 A230 R235 N236 L239	D229-K233 WeakPolarHBondContact O-CB 3.39Å; D229-K233 VanDerWaalsContact O-CG 3.29Å; D229-K233 WeakPolarHBondContact O-CG 3.35Å; D229-K233 PolarHBondContact O-N 3.46Å; D229-K233 WeakPolarHBondContact OD1-CE 3.4Å; D229-K233 IonicContact OD1-NZ 3.85Å; D229-K233 WeakPolarHBondContact OD2-CE 3.21Å; D229-K233 IonicContact OD2-NZ 3.56Å; D229-K233 PolarHBondContact OD2-NZ 3.4Å; A230-K233 PolarHBondContact O-N 3.45Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.25Å; K233-N236 PolarHBondContact O-N 2.68Å; K233-L239 HydrophobicContact CB-CD2 4.16Å
234	A	67.4	Low	64.3	Low	55 Å²	55	86.6 Å²	86.6	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-70.4	-23.7	176.4	0	0	0	0	0	113.9	A230 L231 N232 Q240	A230-A234 WeakPolarHBondContact O-CB 3.4Å; A230-A234 PolarHBondContact O-N 2.84Å; L231-A234 PolarHBondContact O-N 3.46Å; N232-A234 VanDerWaalsContact C-N 3.31Å; A234-Q240 WeakPolarHBondContact O-CG 3.38Å; A234-Q240 PolarHBondContact O-NE2 3.05Å
235	R	67.6	Low	62.5	Low	188 Å²	188	91.9 Å²	91.9	71%	0.709	49%	0.488	S	S	*	.	H	α-helix	trans	-81	-18.6	173.3	-82.4	-178.9	-179.1	167.3	-0.9	113.7	L231 N232 K233 P237	L231-R235 PolarHBondContact O-N 3.08Å; N232-R235 PolarHBondContact O-N 3.42Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.25Å; R235-P237 WeakPolarHBondContact O-CD 3.12Å
236	N	57.7	Low	60.4	Low	98 Å²	98	95.9 Å²	95.9	52%	0.524	51%	0.511	S	S	.	.	S	Bend	trans	-74	115.4	-177.7	-144.6	-18.1	0	0	0	109	N232 K233 V238 L239 Q240	N232-N236 PolarHBondContact O-N 2.94Å; K233-N236 PolarHBondContact O-N 2.68Å; N236-V238 PolarHBondContact O-N 3.37Å; N236-L239 PolarHBondContact O-N 3.44Å; N236-Q240 PolarHBondContact O-N 3.2Å
237	P	53.7	Low	58.2	Low	95 Å²	95	93.7 Å²	93.7	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-61.1	-23.5	-168.1	20.1	-31.9	0	0	0	113.7	R235 L239	R235-P237 WeakPolarHBondContact O-CD 3.12Å; P237-L239 VanDerWaalsContact C-N 3.31Å; P237-L239 PolarHBondContact O-N 3.2Å
238	V	51.9	Low	56.1	Low	115 Å²	115	96.2 Å²	96.2	70%	0.697	53%	0.533	S	S	*	.	H	α-helix	trans	-69	-27.6	175.9	-176.3	0	0	0	0	112.3	N236 S241	N236-V238 PolarHBondContact O-N 3.37Å; V238-S241 PolarHBondContact O-OG 3.45Å
239	L	44.5	Very low	53.8	Low	77 Å²	77	98 Å²	98	40%	0.403	55%	0.551	S	S	.	*	H	α-helix	trans	-91.4	-25.3	179.3	-134.2	79.9	0	0	0	112.7	K233 N236 P237 S241 S242 V243	K233-L239 HydrophobicContact CB-CD2 4.16Å; N236-L239 PolarHBondContact O-N 3.44Å; P237-L239 VanDerWaalsContact C-N 3.31Å; P237-L239 PolarHBondContact O-N 3.2Å; L239-S241 PolarHBondContact O-N 3.29Å; L239-S242 PolarHBondContact O-N 3.04Å; L239-S242 PolarHBondContact O-OG 3.39Å; L239-V243 HydrophobicContact CD2-CG2 4.48Å; L239-V243 HydrophobicContact CG-CG2 4.5Å; L239-V243 WeakPolarHBondContact O-CG2 3.41Å; L239-V243 PolarHBondContact O-N 2.92Å; L239-V243 VanDerWaalsContact O-N 3.16Å
240	Q	43.3	Very low	51.2	Low	109 Å²	109	104.4 Å²	104.4	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-31.5	179.4	-77.9	-176.1	-16.2	0	0	113.1	A234 N236 S242	A234-Q240 WeakPolarHBondContact O-CG 3.38Å; A234-Q240 PolarHBondContact O-NE2 3.05Å; N236-Q240 PolarHBondContact O-N 3.2Å; Q240-S242 VanDerWaalsContact C-N 3.31Å; Q240-S242 PolarHBondContact O-N 2.98Å
241	S	47.1	Very low	49	Very low	90 Å²	90	107.2 Å²	107.2	63%	0.629	60%	0.601	S	S	*	*	H	α-helix	trans	-70.7	-25.1	174.9	59.7	0	0	0	0	113.4	V238 L239	V238-S241 PolarHBondContact O-OG 3.45Å; L239-S241 PolarHBondContact O-N 3.29Å
242	S	44.6	Very low	46.8	Very low	54 Å²	54	109.1 Å²	109.1	38%	0.378	61%	0.611	S	S	.	*	H	α-helix	trans	-90.6	-32.2	-178	69.2	0	0	0	0	114.1	L239 Q240	L239-S242 PolarHBondContact O-N 3.04Å; L239-S242 PolarHBondContact O-OG 3.39Å; Q240-S242 VanDerWaalsContact C-N 3.31Å; Q240-S242 PolarHBondContact O-N 2.98Å
243	V	43.9	Very low	44.9	Very low	87 Å²	87	112.2 Å²	112.2	53%	0.527	63%	0.633	S	S	.	*	H	α-helix	trans	-82	-29.1	-174	179.3	0	0	0	0	112.1	L239 N245 M246	L239-V243 HydrophobicContact CD2-CG2 4.48Å; L239-V243 HydrophobicContact CG-CG2 4.5Å; L239-V243 WeakPolarHBondContact O-CG2 3.41Å; L239-V243 PolarHBondContact O-N 2.92Å; L239-V243 VanDerWaalsContact O-N 3.16Å; V243-N245 PolarHBondContact O-N 3.23Å; V243-M246 PolarHBondContact O-N 2.88Å
244	A	39.5	Very low	43.4	Very low	69 Å²	69	111.7 Å²	111.7	57%	0.57	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-24	178.5	0	0	0	0	0	113.6
245	N	39.2	Very low	41.9	Very low	149 Å²	149	118.7 Å²	118.7	80%	0.797	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	2	-178.3	-77.5	-5	0	0	0	114.9	V243	V243-N245 PolarHBondContact O-N 3.23Å
246	M	35.8	Very low	40.4	Very low	141 Å²	141	119.8 Å²	119.8	70%	0.695	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-6.6	-174.8	-121.2	178.4	-63.5	0	0	115.4	V243 H248	V243-M246 PolarHBondContact O-N 2.88Å; M246-H248 VanDerWaalsContact C-N 3.26Å; M246-H248 PolarHBondContact O-N 2.89Å
247	S	36	Very low	39.6	Very low	96 Å²	96	120.9 Å²	120.9	67%	0.671	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	11.4	-174.5	53.9	0	0	0	0	115.6
248	H	31.6	Very low	38.8	Very low	182 Å²	182	124.2 Å²	124.2	84%	0.843	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	2.7	177.8	-93.5	-75.5	0	0	0	115.8	M246	M246-H248 VanDerWaalsContact C-N 3.26Å; M246-H248 PolarHBondContact O-N 2.89Å
249	T	29.6	Very low	38.2	Very low	106 Å²	106	123.3 Å²	123.3	65%	0.65	67%	0.673	S	S	*	*			trans	-147.2	113.3	179.4	47	0	0	0	0	110.9
250	L	28.2	Very low	37.7	Very low	161 Å²	161	125.2 Å²	125.2	84%	0.843	68%	0.675	S	S	*	*			trans	162.4	83.7	136.7	-84.3	149.8	0	0	0	110.8	L252	L250-L252 HydrophobicContact CD2-CD1 4.23Å
251	S	31.2	Very low	37.5	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	67%	0.67	S	S	*	*			trans	-102.1	119.6	156	49.3	0	0	0	0	108.2
252	L	33.2	Very low	37.7	Very low	154 Å²	154	125.2 Å²	125.2	81%	0.806	67%	0.667	S	S	*	*			trans	-155.7	155.6	172.4	-97.2	130.5	0	0	0	111.3	L250	L250-L252 HydrophobicContact CD2-CD1 4.23Å
253	P	39.8	Very low	38	Very low	110 Å²	110	127.4 Å²	127.4	71%	0.714	67%	0.673	S	S	*	*				-116.2	172	-129.8	11.6	12.7	0	0	0	117	K255	P253-K255 PolarHBondContact O-N 3.27Å
254	S	46.2	Very low	37.8	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-70.7	3.4	-154.9	59.4	0	0	0	0	120.5	R256 L257	S254-R256 VanDerWaalsContact C-N 3.33Å; S254-R256 PolarHBondContact O-N 3.28Å; S254-L257 PolarHBondContact O-N 3.11Å
255	K	35	Very low	38.3	Very low	201 Å²	201	129.7 Å²	129.7	87%	0.874	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-72.6	-17.6	-172.3	-77.5	-176.4	178.2	177.5	0	115.2	P253	P253-K255 PolarHBondContact O-N 3.27Å
256	R	35.5	Very low	39.5	Very low	212 Å²	212	129.3 Å²	129.3	80%	0.8	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-79.5	-12.6	178.5	-86	-178.1	176.6	173.8	-0.1	115.1	S254 T259 Y260	S254-R256 VanDerWaalsContact C-N 3.33Å; S254-R256 PolarHBondContact O-N 3.28Å; R256-T259 PolarHBondContact O-OG1 3.38Å; R256-Y260 WeakPolarHBondContact O-CD2 3.08Å
257	L	42.8	Very low	40.6	Very low	121 Å²	121	125.7 Å²	125.7	63%	0.634	64%	0.637	S	S	*	*	H	α-helix	trans	-76.9	-32.2	-172.6	-104.5	112	0	0	0	114.4	S254 T259 Y260	S254-L257 PolarHBondContact O-N 3.11Å; L257-T259 VanDerWaalsContact C-N 3.25Å; L257-T259 PolarHBondContact O-N 3.36Å; L257-Y260 PolarHBondContact O-N 2.91Å
258	F	36.4	Very low	41.3	Very low	165 Å²	165	126.8 Å²	126.8	72%	0.724	63%	0.627	S	S	*	*	H	α-helix	trans	-67.2	-27.1	-173.8	-136.4	-88.5	0	0	0	112.8
259	T	38	Very low	42.6	Very low	96 Å²	96	121.1 Å²	121.1	59%	0.589	60%	0.602	S	S	*	*	H	α-helix	trans	-72.8	-33.5	178.1	39.8	0	0	0	0	113.3	R256 L257 M263	R256-T259 PolarHBondContact O-OG1 3.38Å; L257-T259 VanDerWaalsContact C-N 3.25Å; L257-T259 PolarHBondContact O-N 3.36Å; T259-M263 PolarHBondContact O-N 3.09Å
260	Y	35.7	Very low	44.4	Very low	117 Å²	117	118.5 Å²	118.5	46%	0.459	59%	0.585	S	S	.	*	H	α-helix	trans	-76.4	-35.4	-177	-79.4	-74.5	0	0	0	113.6	R256 L257 N262 M263 Y264	R256-Y260 WeakPolarHBondContact O-CD2 3.08Å; L257-Y260 PolarHBondContact O-N 2.91Å; Y260-N262 VanDerWaalsContact C-N 3.29Å; Y260-N262 PolarHBondContact O-N 3.47Å; Y260-M263 HydrophobicContact CD1-CE 3.86Å; Y260-M263 HydrophobicContact CE1-CE 4.06Å; Y260-M263 WeakPolarHBondContact O-CB 3.31Å; Y260-M263 PolarHBondContact O-N 2.79Å; Y260-Y264 PolarHBondContact O-N 2.82Å
261	K	39.1	Very low	45.8	Very low	93 Å²	93	118.6 Å²	118.6	40%	0.404	57%	0.574	S	S	.	*	H	α-helix	trans	-57.3	-41.4	175	-175.1	168	-179.1	165.1	0	112	N265	K261-N265 WeakPolarHBondContact O-CB 3.21Å; K261-N265 PolarHBondContact O-N 3.2Å; K261-N265 PolarHBondContact O-ND2 3.5Å
262	N	50.4	Low	46.7	Very low	106 Å²	106	120.4 Å²	120.4	57%	0.567	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-35.9	175.5	-75.1	-18.5	0	0	0	112.1	Y260 K266	Y260-N262 VanDerWaalsContact C-N 3.29Å; Y260-N262 PolarHBondContact O-N 3.47Å; N262-K266 WeakPolarHBondContact O-CB 3.47Å; N262-K266 PolarHBondContact O-N 2.94Å
263	M	50.9	Low	47.9	Very low	99 Å²	99	120 Å²	120	49%	0.488	55%	0.551	S	S	.	*	H	α-helix	trans	-68.9	-47.1	179.9	-168.2	-179	80.1	0	0	112.7	T259 Y260 K266 I267	T259-M263 PolarHBondContact O-N 3.09Å; Y260-M263 HydrophobicContact CD1-CE 3.86Å; Y260-M263 HydrophobicContact CE1-CE 4.06Å; Y260-M263 WeakPolarHBondContact O-CB 3.31Å; Y260-M263 PolarHBondContact O-N 2.79Å; M263-K266 CarbonylContact O-C 3.52Å; M263-K266 WeakPolarHBondContact O-CB 3.32Å; M263-K266 PolarHBondContact O-N 3.33Å; M263-I267 HydrophobicContact CE-CD1 4.41Å; M263-I267 HydrophobicContact CG-CD1 4.09Å; M263-I267 VanDerWaalsContact O-CG1 3.31Å; M263-I267 WeakPolarHBondContact O-CG1 3.39Å; M263-I267 PolarHBondContact O-N 2.84Å
264	Y	40.6	Very low	48.8	Very low	133 Å²	133	123 Å²	123	52%	0.522	55%	0.548	S	S	.	.	H	α-helix	trans	-70.2	-43	-176.7	-167.1	-101.5	0	0	0	112.4	Y260 K266 I267 R268	Y260-Y264 PolarHBondContact O-N 2.82Å; Y264-K266 VanDerWaalsContact C-N 3.26Å; Y264-K266 PolarHBondContact O-N 3.47Å; Y264-I267 PolarHBondContact O-N 2.84Å; Y264-R268 PolarHBondContact O-N 3.03Å
265	N	50.2	Low	49	Very low	71 Å²	71	126.6 Å²	126.6	38%	0.38	55%	0.551	S	S	.	*	H	α-helix	trans	-60.9	-38.2	172.2	-78.2	-24.6	0	0	0	111.3	K261 N269	K261-N265 WeakPolarHBondContact O-CB 3.21Å; K261-N265 PolarHBondContact O-N 3.2Å; K261-N265 PolarHBondContact O-ND2 3.5Å; N265-N269 WeakPolarHBondContact O-CB 3.3Å; N265-N269 PolarHBondContact O-N 3.33Å; N265-N269 PolarHBondContact O-ND2 2.92Å
266	K	63.7	Low	49.6	Very low	141 Å²	141	119.5 Å²	119.5	61%	0.613	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-42.7	172	-172.2	174.3	-176.5	178.6	0	111.3	N262 M263 Y264 N270	N262-K266 WeakPolarHBondContact O-CB 3.47Å; N262-K266 PolarHBondContact O-N 2.94Å; M263-K266 CarbonylContact O-C 3.52Å; M263-K266 WeakPolarHBondContact O-CB 3.32Å; M263-K266 PolarHBondContact O-N 3.33Å; Y264-K266 VanDerWaalsContact C-N 3.26Å; Y264-K266 PolarHBondContact O-N 3.47Å; K266-N270 WeakPolarHBondContact O-CA 3.04Å; K266-N270 WeakPolarHBondContact O-CB 3.14Å; K266-N270 PolarHBondContact O-N 3.5Å; K266-N270 PolarHBondContact O-ND2 2.81Å; K266-N270 VanDerWaalsContact O-ND2 3.16Å; K266-N270 PolarHBondContact O-OD1 2.89Å
267	I	58.4	Low	50.6	Low	65 Å²	65	116.3 Å²	116.3	33%	0.333	52%	0.519	S	S	.	.	H	α-helix	trans	-66.8	-47.4	177.6	-66.9	163.4	0	0	0	112	M263 Y264 N270 R271	M263-I267 HydrophobicContact CE-CD1 4.41Å; M263-I267 HydrophobicContact CG-CD1 4.09Å; M263-I267 VanDerWaalsContact O-CG1 3.31Å; M263-I267 WeakPolarHBondContact O-CG1 3.39Å; M263-I267 PolarHBondContact O-N 2.84Å; Y264-I267 PolarHBondContact O-N 2.84Å; I267-N270 CarbonylContact O-C 3.55Å; I267-N270 WeakPolarHBondContact O-CB 3.17Å; I267-N270 PolarHBondContact O-N 2.75Å; I267-R271 PolarHBondContact O-N 3.44Å
268	R	51.2	Low	51.2	Low	120 Å²	120	114.3 Å²	114.3	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-46.7	178.4	-174.7	178.6	-176.2	171.5	2.4	111.2	Y264 N270 R271 R272	Y264-R268 PolarHBondContact O-N 3.03Å; R268-N270 VanDerWaalsContact C-N 3.28Å; R268-N270 PolarHBondContact O-N 2.95Å; R268-R271 PolarHBondContact O-N 3.03Å; R268-R272 PolarHBondContact O-N 3.18Å
269	N	59.5	Low	51.6	Low	62 Å²	62	110 Å²	110	33%	0.332	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-32	174.1	-70.1	-27.1	0	0	0	111.4	N265 R273	N265-N269 WeakPolarHBondContact O-CB 3.3Å; N265-N269 PolarHBondContact O-N 3.33Å; N265-N269 PolarHBondContact O-ND2 2.92Å; N269-R273 WeakPolarHBondContact O-CA 3.49Å; N269-R273 WeakPolarHBondContact O-CB 3.02Å; N269-R273 WeakPolarHBondContact O-CG 3.46Å; N269-R273 PolarHBondContact O-N 3.44Å
270	N	66.9	Low	52.4	Low	52 Å²	52	112.6 Å²	112.6	28%	0.278	50%	0.502	S	S	.	.	H	α-helix	trans	-69.6	-38	172.1	-76.1	-15.6	0	0	0	112.2	K266 I267 R268 R273 R274	K266-N270 WeakPolarHBondContact O-CA 3.04Å; K266-N270 WeakPolarHBondContact O-CB 3.14Å; K266-N270 PolarHBondContact O-N 3.5Å; K266-N270 PolarHBondContact O-ND2 2.81Å; K266-N270 VanDerWaalsContact O-ND2 3.16Å; K266-N270 PolarHBondContact O-OD1 2.89Å; I267-N270 CarbonylContact O-C 3.55Å; I267-N270 WeakPolarHBondContact O-CB 3.17Å; I267-N270 PolarHBondContact O-N 2.75Å; R268-N270 VanDerWaalsContact C-N 3.28Å; R268-N270 PolarHBondContact O-N 2.95Å; N270-R273 CarbonylContact O-C 3.54Å; N270-R273 PolarHBondContact O-N 2.85Å; N270-R274 WeakPolarHBondContact O-CA 3.19Å; N270-R274 WeakPolarHBondContact O-CB 3.2Å; N270-R274 WeakPolarHBondContact O-CG 3.42Å; N270-R274 PolarHBondContact O-N 3.16Å
271	R	56.4	Low	53.3	Low	162 Å²	162	115.6 Å²	115.6	61%	0.611	51%	0.513	S	S	*	.	H	α-helix	trans	-66.8	-45.2	173.8	-76.8	-176.8	-178.5	166.7	0.8	111.1	I267 R268 R274 K275	I267-R271 PolarHBondContact O-N 3.44Å; R268-R271 PolarHBondContact O-N 3.03Å; R271-R274 PolarHBondContact O-N 3.04Å; R271-K275 WeakPolarHBondContact O-CB 3.47Å; R271-K275 PolarHBondContact O-N 3.29Å
272	R	50	Low	54	Low	152 Å²	152	112.9 Å²	112.9	57%	0.574	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-44.7	173	-76.1	-177.3	173.3	170.7	-4.1	111.5	R268 K275 S276	R268-R272 PolarHBondContact O-N 3.18Å; R272-K275 PolarHBondContact O-N 3.3Å; R272-S276 WeakPolarHBondContact O-CB 3.07Å; R272-S276 PolarHBondContact O-N 3.24Å
273	R	59	Low	53.9	Low	145 Å²	145	110 Å²	110	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-36.4	173.7	-75.7	171.9	-178.5	143.9	-1	111.9	N269 N270 K277	N269-R273 WeakPolarHBondContact O-CA 3.49Å; N269-R273 WeakPolarHBondContact O-CB 3.02Å; N269-R273 WeakPolarHBondContact O-CG 3.46Å; N269-R273 PolarHBondContact O-N 3.44Å; N270-R273 CarbonylContact O-C 3.54Å; N270-R273 PolarHBondContact O-N 2.85Å; R273-K277 WeakPolarHBondContact O-CA 3.39Å; R273-K277 WeakPolarHBondContact O-CB 3.48Å; R273-K277 WeakPolarHBondContact O-CG 3.49Å; R273-K277 PolarHBondContact O-N 2.85Å
274	R	59.9	Low	54.4	Low	175 Å²	175	106.3 Å²	106.3	66%	0.66	48%	0.479	S	S	*	.	H	α-helix	trans	-69.7	-44.4	176	-79.7	173.4	-173.8	165.2	1.5	111	N270 R271 S278	N270-R274 WeakPolarHBondContact O-CA 3.19Å; N270-R274 WeakPolarHBondContact O-CB 3.2Å; N270-R274 WeakPolarHBondContact O-CG 3.42Å; N270-R274 PolarHBondContact O-N 3.16Å; R271-R274 PolarHBondContact O-N 3.04Å; R274-S278 WeakPolarHBondContact O-CA 3.35Å; R274-S278 WeakPolarHBondContact O-CB 3.31Å; R274-S278 PolarHBondContact O-N 2.82Å
275	K	49.5	Very low	55.3	Low	170 Å²	170	105.4 Å²	105.4	74%	0.739	48%	0.478	S	S	*	.	H	α-helix	trans	-63.5	-47.6	173.2	-77.7	-170.6	175.5	-171.4	0	111.1	R271 R272 S278 L279	R271-K275 WeakPolarHBondContact O-CB 3.47Å; R271-K275 PolarHBondContact O-N 3.29Å; R272-K275 PolarHBondContact O-N 3.3Å; K275-S278 PolarHBondContact O-N 2.98Å; K275-L279 WeakPolarHBondContact O-CB 3.28Å; K275-L279 PolarHBondContact O-N 2.97Å
276	S	48.5	Very low	55.5	Low	52 Å²	52	103.2 Å²	103.2	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-65.6	-40	176.4	-177.9	0	0	0	0	112.4	R272 K280	R272-S276 WeakPolarHBondContact O-CB 3.07Å; R272-S276 PolarHBondContact O-N 3.24Å; S276-K280 WeakPolarHBondContact O-CB 3.4Å; S276-K280 WeakPolarHBondContact O-CG 3.11Å; S276-K280 PolarHBondContact O-N 3.19Å
277	K	55.4	Low	55.2	Low	146 Å²	146	101.3 Å²	101.3	64%	0.635	46%	0.461	S	S	*	.	H	α-helix	trans	-68.4	-41.8	173.9	-77.8	177	178.6	-171.3	0	111.1	R273 K280 R281	R273-K277 WeakPolarHBondContact O-CA 3.39Å; R273-K277 WeakPolarHBondContact O-CB 3.48Å; R273-K277 WeakPolarHBondContact O-CG 3.49Å; R273-K277 PolarHBondContact O-N 2.85Å; K277-K280 PolarHBondContact O-N 3.49Å; K277-R281 WeakPolarHBondContact O-CA 3.42Å; K277-R281 WeakPolarHBondContact O-CB 3.43Å; K277-R281 PolarHBondContact O-N 3.1Å
278	S	56.6	Low	55.5	Low	78 Å²	78	105 Å²	105	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-46.5	175	-175.5	0	0	0	0	110.3	R274 K275 R281 S282	R274-S278 WeakPolarHBondContact O-CA 3.35Å; R274-S278 WeakPolarHBondContact O-CB 3.31Å; R274-S278 PolarHBondContact O-N 2.82Å; K275-S278 PolarHBondContact O-N 2.98Å; S278-R281 CarbonylContact O-C 3.52Å; S278-R281 PolarHBondContact O-N 2.94Å; S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.46Å; S278-S282 PolarHBondContact O-N 3.26Å
279	L	44.7	Very low	55.8	Low	74 Å²	74	100 Å²	100	39%	0.387	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-52.8	174.2	-172.7	66.3	0	0	0	110.9	K275 R281 S282 T283	K275-L279 WeakPolarHBondContact O-CB 3.28Å; K275-L279 PolarHBondContact O-N 2.97Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 2.84Å; L279-S282 CarbonylContact O-C 3.58Å; L279-S282 WeakPolarHBondContact O-CB 3.33Å; L279-S282 PolarHBondContact O-N 2.81Å; L279-S282 VanDerWaalsContact O-N 3.09Å; L279-T283 WeakPolarHBondContact O-CB 3.37Å; L279-T283 PolarHBondContact O-N 3.29Å; L279-T283 PolarHBondContact O-OG1 3.17Å
280	K	53.1	Low	55.6	Low	151 Å²	151	98.8 Å²	98.8	66%	0.657	45%	0.448	S	S	*	.	H	α-helix	trans	-58.4	-35.3	174.9	-75.9	179.1	-178.8	-169.4	0	112.3	S276 K277 G284	S276-K280 WeakPolarHBondContact O-CB 3.4Å; S276-K280 WeakPolarHBondContact O-CG 3.11Å; S276-K280 PolarHBondContact O-N 3.19Å; K277-K280 PolarHBondContact O-N 3.49Å; K280-G284 WeakPolarHBondContact O-CA 3.23Å; K280-G284 PolarHBondContact O-N 3.29Å
281	R	56.2	Low	55.4	Low	180 Å²	180	103.3 Å²	103.3	68%	0.679	47%	0.465	S	S	*	.	H	α-helix	trans	-71.2	-39.3	176.3	-166.6	176.8	-167.9	176.6	2.6	110.6	K277 S278 L279 K285	K277-R281 WeakPolarHBondContact O-CA 3.42Å; K277-R281 WeakPolarHBondContact O-CB 3.43Å; K277-R281 PolarHBondContact O-N 3.1Å; S278-R281 CarbonylContact O-C 3.52Å; S278-R281 PolarHBondContact O-N 2.94Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 2.84Å; R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 VanDerWaalsContact O-CG 3.24Å; R281-K285 WeakPolarHBondContact O-CG 3.32Å; R281-K285 PolarHBondContact O-N 2.85Å
282	S	52.5	Low	55.8	Low	37 Å²	37	102.9 Å²	102.9	26%	0.259	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-49.8	175.4	-160.2	0	0	0	0	111.6	S278 L279 G284 K285 F286 V341	S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.46Å; S278-S282 PolarHBondContact O-N 3.26Å; L279-S282 CarbonylContact O-C 3.58Å; L279-S282 WeakPolarHBondContact O-CB 3.33Å; L279-S282 PolarHBondContact O-N 2.81Å; L279-S282 VanDerWaalsContact O-N 3.09Å; S282-G284 VanDerWaalsContact C-N 3.32Å; S282-G284 PolarHBondContact O-N 2.82Å; S282-K285 WeakPolarHBondContact O-CB 3.26Å; S282-K285 PolarHBondContact O-N 3.44Å; S282-F286 VanDerWaalsContact O-CB 3.32Å; S282-F286 WeakPolarHBondContact O-CB 3.38Å; S282-F286 PolarHBondContact O-N 3Å; S282-V341 WeakPolarHBondContact OG-CG1 3.42Å
283	T	49.4	Very low	56.2	Low	45 Å²	45	96.1 Å²	96.1	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-38.8	173.3	-44.4	0	0	0	0	111.2	L279 F286 L287	L279-T283 WeakPolarHBondContact O-CB 3.37Å; L279-T283 PolarHBondContact O-N 3.29Å; L279-T283 PolarHBondContact O-OG1 3.17Å; T283-F286 WeakPolarHBondContact O-CB 3.36Å; T283-F286 PolarHBondContact O-N 3.28Å; T283-L287 HydrophobicContact CG2-CD1 4.33Å; T283-L287 HydrophobicContact CG2-CG 4.47Å; T283-L287 WeakPolarHBondContact O-CB 3.31Å; T283-L287 VanDerWaalsContact O-CG 3.28Å; T283-L287 WeakPolarHBondContact O-CG 3.45Å; T283-L287 PolarHBondContact O-N 3.42Å
284	G	60	Low	56.4	Low	21 Å²	21	91.7 Å²	91.7	22%	0.216	43%	0.43	C	S	.	.	H	α-helix	trans	-68.3	-37.9	174.4	0	0	0	0	0	112.4	K280 S282 R288	K280-G284 WeakPolarHBondContact O-CA 3.23Å; K280-G284 PolarHBondContact O-N 3.29Å; S282-G284 VanDerWaalsContact C-N 3.32Å; S282-G284 PolarHBondContact O-N 2.82Å; G284-R288 VanDerWaalsContact O-CB 3.31Å; G284-R288 WeakPolarHBondContact O-CB 3.48Å; G284-R288 VanDerWaalsContact O-CG 3.22Å; G284-R288 WeakPolarHBondContact O-CG 3.31Å; G284-R288 PolarHBondContact O-N 3.18Å; G284-R288 PolarHBondContact O-NE 3.32Å; G284-R288 VanDerWaalsContact O-NE 3.08Å
285	K	60.3	Low	56.3	Low	115 Å²	115	86.7 Å²	86.7	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-48.8	169.3	-81.2	-179.6	177.7	-166.5	0	110.2	R281 S282 R288 S289	R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 VanDerWaalsContact O-CG 3.24Å; R281-K285 WeakPolarHBondContact O-CG 3.32Å; R281-K285 PolarHBondContact O-N 2.85Å; S282-K285 WeakPolarHBondContact O-CB 3.26Å; S282-K285 PolarHBondContact O-N 3.44Å; K285-R288 WeakPolarHBondContact O-CB 3.4Å; K285-R288 PolarHBondContact O-N 3.46Å; K285-S289 PolarHBondContact O-N 2.82Å; K285-S289 PolarHBondContact O-OG 3.08Å
286	F	55	Low	56.4	Low	24 Å²	24	80.6 Å²	80.6	11%	0.105	39%	0.394	C	S	.	.	H	α-helix	trans	-55.3	-51.6	176	170.7	-90.5	0	0	0	112.8	S282 T283 R288 S289 L290 F338 V341 L342 I357	S282-F286 VanDerWaalsContact O-CB 3.32Å; S282-F286 WeakPolarHBondContact O-CB 3.38Å; S282-F286 PolarHBondContact O-N 3Å; T283-F286 WeakPolarHBondContact O-CB 3.36Å; T283-F286 PolarHBondContact O-N 3.28Å; F286-R288 VanDerWaalsContact C-N 3.29Å; F286-R288 PolarHBondContact O-N 2.88Å; F286-S289 PolarHBondContact O-N 2.98Å; F286-L290 HydrophobicContact CD1-CD1 3.97Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 4.4Å; F286-L290 HydrophobicContact CE2-CD1 4.27Å; F286-L290 HydrophobicContact CZ-CD1 3.51Å; F286-L290 HydrophobicContact CZ-CG 4.4Å; F286-L290 PolarHBondContact O-N 3.44Å; F286-F338 AromaticContact CD2-CD2 3.51Å; F286-F338 HydrophobicContact CD2-CD2 3.51Å; F286-F338 AromaticContact CD2-CE2 3.61Å; F286-F338 HydrophobicContact CD2-CE2 3.61Å; F286-F338 AromaticContact CE2-CD2 3.38Å; F286-F338 HydrophobicContact CE2-CD2 3.38Å; F286-F338 AromaticContact CE2-CE2 2.94Å; F286-F338 HydrophobicContact CE2-CE2 2.94Å; F286-F338 HydrophobicContact CE2-CG 4.47Å; F286-F338 AromaticContact CE2-CZ 3.76Å; F286-F338 HydrophobicContact CE2-CZ 3.76Å; F286-F338 HydrophobicContact CZ-CD2 4.27Å; F286-F338 AromaticContact CZ-CE2 3.51Å; F286-F338 HydrophobicContact CZ-CE2 3.51Å; F286-F338 HydrophobicContact CZ-CZ 4.26Å; F286-V341 HydrophobicContact CB-CG1 4.33Å; F286-L342 HydrophobicContact CD2-CD2 4.44Å; F286-L342 HydrophobicContact CD2-CG 4.47Å; F286-L342 HydrophobicContact CE2-CD1 4.24Å; F286-L342 HydrophobicContact CE2-CD2 3.77Å; F286-L342 HydrophobicContact CE2-CG 3.98Å; F286-L342 HydrophobicContact CZ-CD2 4.47Å; F286-I357 HydrophobicContact CE2-CG2 4.42Å; F286-I357 HydrophobicContact CZ-CG2 3.82Å
287	L	57.5	Low	56.4	Low	102 Å²	102	82.4 Å²	82.4	53%	0.534	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-32.9	178.1	-70.9	174.2	0	0	0	112	T283 K291	T283-L287 HydrophobicContact CG2-CD1 4.33Å; T283-L287 HydrophobicContact CG2-CG 4.47Å; T283-L287 WeakPolarHBondContact O-CB 3.31Å; T283-L287 VanDerWaalsContact O-CG 3.28Å; T283-L287 WeakPolarHBondContact O-CG 3.45Å; T283-L287 PolarHBondContact O-N 3.42Å; L287-K291 WeakPolarHBondContact O-CB 3.26Å; L287-K291 PolarHBondContact O-N 3.44Å
288	R	62.8	Low	56.4	Low	143 Å²	143	82.6 Å²	82.6	54%	0.54	39%	0.394	S	S	.	.	H	α-helix	trans	-69.3	-44.2	173.4	-78.5	-179.5	-67.7	-125.7	-3	111.9	G284 K285 F286 K291 R292	G284-R288 VanDerWaalsContact O-CB 3.31Å; G284-R288 WeakPolarHBondContact O-CB 3.48Å; G284-R288 VanDerWaalsContact O-CG 3.22Å; G284-R288 WeakPolarHBondContact O-CG 3.31Å; G284-R288 PolarHBondContact O-N 3.18Å; G284-R288 PolarHBondContact O-NE 3.32Å; G284-R288 VanDerWaalsContact O-NE 3.08Å; K285-R288 WeakPolarHBondContact O-CB 3.4Å; K285-R288 PolarHBondContact O-N 3.46Å; F286-R288 VanDerWaalsContact C-N 3.29Å; F286-R288 PolarHBondContact O-N 2.88Å; R288-K291 PolarHBondContact O-N 3.01Å; R288-R292 WeakPolarHBondContact O-CB 3.42Å; R288-R292 WeakPolarHBondContact O-CG 3.41Å; R288-R292 PolarHBondContact O-N 2.94Å
289	S	59	Low	56.1	Low	15 Å²	15	86.9 Å²	86.9	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-62	-45.2	174.6	-65.6	0	0	0	0	110.7	K285 F286 K291 R292 L293	K285-S289 PolarHBondContact O-N 2.82Å; K285-S289 PolarHBondContact O-OG 3.08Å; F286-S289 PolarHBondContact O-N 2.98Å; S289-K291 PolarHBondContact O-N 3.16Å; S289-R292 WeakPolarHBondContact O-CB 3.17Å; S289-R292 PolarHBondContact O-N 3.05Å; S289-L293 WeakPolarHBondContact O-CB 3.08Å; S289-L293 VanDerWaalsContact O-CG 3.29Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.86Å
290	L	55.1	Low	56.1	Low	36 Å²	36	87 Å²	87	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-40	173	-81.3	177.4	0	0	0	113.4	F286 R292 L293 S294 F338	F286-L290 HydrophobicContact CD1-CD1 3.97Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 4.4Å; F286-L290 HydrophobicContact CE2-CD1 4.27Å; F286-L290 HydrophobicContact CZ-CD1 3.51Å; F286-L290 HydrophobicContact CZ-CG 4.4Å; F286-L290 PolarHBondContact O-N 3.44Å; L290-R292 VanDerWaalsContact C-N 3.34Å; L290-L293 HydrophobicContact CD2-CD1 4.46Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-S294 WeakPolarHBondContact O-CB 3.31Å; L290-S294 PolarHBondContact O-N 2.93Å; L290-S294 PolarHBondContact O-OG 3.12Å; L290-F338 HydrophobicContact CD1-CE2 4.03Å; L290-F338 HydrophobicContact CD2-CD2 4.17Å; L290-F338 HydrophobicContact CD2-CE2 3.6Å; L290-F338 HydrophobicContact CD2-CZ 4.26Å; L290-F338 HydrophobicContact CG-CD2 4.11Å; L290-F338 HydrophobicContact CG-CE2 3.73Å
291	K	62.9	Low	55.3	Low	147 Å²	147	84.1 Å²	84.1	64%	0.639	39%	0.393	S	S	*	.	H	α-helix	trans	-67.7	-35	175.6	-168.5	173.4	-176	178.7	0	111.6	L287 R288 S289 S294 T295	L287-K291 WeakPolarHBondContact O-CB 3.26Å; L287-K291 PolarHBondContact O-N 3.44Å; R288-K291 PolarHBondContact O-N 3.01Å; S289-K291 PolarHBondContact O-N 3.16Å; K291-S294 PolarHBondContact O-OG 3.33Å; K291-T295 WeakPolarHBondContact O-CB 3.48Å; K291-T295 VanDerWaalsContact O-CG2 3.24Å; K291-T295 WeakPolarHBondContact O-CG2 3.11Å; K291-T295 PolarHBondContact O-N 3.03Å; K291-T295 PolarHBondContact O-OG1 3.4Å
292	R	64.2	Low	54	Low	152 Å²	152	81.1 Å²	81.1	57%	0.574	39%	0.39	S	S	*	.	H	α-helix	trans	-65	-49.6	171.6	-78.2	178	175.6	-176	-4.5	111	R288 S289 L290 S294 T295 L296	R288-R292 WeakPolarHBondContact O-CB 3.42Å; R288-R292 WeakPolarHBondContact O-CG 3.41Å; R288-R292 PolarHBondContact O-N 2.94Å; S289-R292 WeakPolarHBondContact O-CB 3.17Å; S289-R292 PolarHBondContact O-N 3.05Å; L290-R292 VanDerWaalsContact C-N 3.34Å; R292-S294 VanDerWaalsContact C-N 3.34Å; R292-S294 PolarHBondContact O-N 3.43Å; R292-T295 WeakPolarHBondContact CA-OG1 3.1Å; R292-T295 PolarHBondContact O-N 3.34Å; R292-T295 PolarHBondContact O-OG1 3.37Å; R292-L296 WeakPolarHBondContact O-CB 3.46Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.39Å; R292-L296 PolarHBondContact O-N 3.13Å
293	L	58.2	Low	53	Low	11 Å²	11	86.8 Å²	86.8	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-56	-47.5	174.3	-69.7	171	0	0	0	111.4	S289 L290 T295 L296 Y297 L331 D334 V364	S289-L293 WeakPolarHBondContact O-CB 3.08Å; S289-L293 VanDerWaalsContact O-CG 3.29Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.86Å; L290-L293 HydrophobicContact CD2-CD1 4.46Å; L290-L293 PolarHBondContact O-N 3.02Å; L293-T295 PolarHBondContact O-N 2.97Å; L293-L296 PolarHBondContact O-N 3.36Å; L293-Y297 VanDerWaalsContact O-CB 3.3Å; L293-Y297 WeakPolarHBondContact O-CB 3.3Å; L293-Y297 PolarHBondContact O-N 3.43Å; L293-L331 HydrophobicContact CD2-CD1 3.34Å; L293-L331 HydrophobicContact CD2-CG 4.47Å; L293-D334 HydrophobicContact CD2-CB 4.07Å; L293-D334 HydrophobicContact CG-CB 4.26Å; L293-V364 HydrophobicContact CD1-CG1 4.31Å
294	S	62.9	Low	52.1	Low	52 Å²	52	89.7 Å²	89.7	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-69.3	-31.9	-179.9	80	0	0	0	0	113.6	L290 K291 R292 K298	L290-S294 WeakPolarHBondContact O-CB 3.31Å; L290-S294 PolarHBondContact O-N 2.93Å; L290-S294 PolarHBondContact O-OG 3.12Å; K291-S294 PolarHBondContact O-OG 3.33Å; R292-S294 VanDerWaalsContact C-N 3.34Å; R292-S294 PolarHBondContact O-N 3.43Å; S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.48Å; S294-K298 VanDerWaalsContact O-CG 3.24Å; S294-K298 WeakPolarHBondContact O-CG 3.11Å; S294-K298 PolarHBondContact O-N 3.41Å
295	T	58.7	Low	50.5	Low	69 Å²	69	93 Å²	93	42%	0.423	45%	0.452	S	S	.	.	H	α-helix	trans	-74.9	-35.9	174.7	48.7	0	0	0	0	112.3	K291 R292 L293 K299	K291-T295 WeakPolarHBondContact O-CB 3.48Å; K291-T295 VanDerWaalsContact O-CG2 3.24Å; K291-T295 WeakPolarHBondContact O-CG2 3.11Å; K291-T295 PolarHBondContact O-N 3.03Å; K291-T295 PolarHBondContact O-OG1 3.4Å; R292-T295 WeakPolarHBondContact CA-OG1 3.1Å; R292-T295 PolarHBondContact O-N 3.34Å; R292-T295 PolarHBondContact O-OG1 3.37Å; L293-T295 PolarHBondContact O-N 2.97Å; T295-K299 WeakPolarHBondContact O-CB 3.42Å; T295-K299 WeakPolarHBondContact O-CG 3.18Å; T295-K299 PolarHBondContact O-N 3.37Å
296	L	51.4	Low	48.9	Very low	43 Å²	43	96.8 Å²	96.8	23%	0.225	46%	0.463	C	S	.	.	H	α-helix	trans	-62.4	-47.8	170.6	-71.2	171.3	0	0	0	110.6	R292 L293 K299 Q300	R292-L296 WeakPolarHBondContact O-CB 3.46Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.39Å; R292-L296 PolarHBondContact O-N 3.13Å; L293-L296 PolarHBondContact O-N 3.36Å; L296-K299 WeakPolarHBondContact O-CB 3.21Å; L296-K299 PolarHBondContact O-N 2.99Å; L296-Q300 PolarHBondContact O-N 3.43Å
297	Y	49	Very low	47.3	Very low	89 Å²	89	99 Å²	99	35%	0.349	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-42.3	176.7	-165.8	-90.2	0	0	0	112.6	L293 K299 Q300 N301 E371	L293-Y297 VanDerWaalsContact O-CB 3.3Å; L293-Y297 WeakPolarHBondContact O-CB 3.3Å; L293-Y297 PolarHBondContact O-N 3.43Å; Y297-K299 PolarHBondContact O-N 3.14Å; Y297-Q300 WeakPolarHBondContact O-CB 3.38Å; Y297-Q300 PolarHBondContact O-N 2.92Å; Y297-Q300 VanDerWaalsContact O-N 3.11Å; Y297-N301 PolarHBondContact O-N 3.41Å; Y297-E371 WeakPolarHBondContact CD2-OE1 3.16Å; Y297-E371 WeakPolarHBondContact CE2-OE1 3.07Å
298	K	54	Low	45.6	Very low	151 Å²	151	103.1 Å²	103.1	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-66.5	-33.7	175.2	-79.9	-177.9	179.2	-170.5	0	113	S294 Q300 N301 L302	S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.48Å; S294-K298 VanDerWaalsContact O-CG 3.24Å; S294-K298 WeakPolarHBondContact O-CG 3.11Å; S294-K298 PolarHBondContact O-N 3.41Å; K298-Q300 PolarHBondContact O-N 3.12Å; K298-N301 PolarHBondContact O-N 3.09Å; K298-L302 PolarHBondContact O-N 2.94Å
299	K	51	Low	43.7	Very low	167 Å²	167	103.8 Å²	103.8	73%	0.726	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-27.6	171.8	-87.6	-175.3	174	-174.3	0	112.1	T295 L296 Y297	T295-K299 WeakPolarHBondContact O-CB 3.42Å; T295-K299 WeakPolarHBondContact O-CG 3.18Å; T295-K299 PolarHBondContact O-N 3.37Å; L296-K299 WeakPolarHBondContact O-CB 3.21Å; L296-K299 PolarHBondContact O-N 2.99Å; Y297-K299 PolarHBondContact O-N 3.14Å
300	Q	44.1	Very low	42.3	Very low	76 Å²	76	108.3 Å²	108.3	36%	0.355	53%	0.534	S	S	.	.	H	α-helix	trans	-85.1	-33.4	174.2	-73.5	170	-30.7	0	0	113.3	L296 Y297 K298 L302 K303 E371	L296-Q300 PolarHBondContact O-N 3.43Å; Y297-Q300 WeakPolarHBondContact O-CB 3.38Å; Y297-Q300 PolarHBondContact O-N 2.92Å; Y297-Q300 VanDerWaalsContact O-N 3.11Å; K298-Q300 PolarHBondContact O-N 3.12Å; Q300-L302 CarbonylContact O-C 3.52Å; Q300-L302 PolarHBondContact O-N 3.23Å; Q300-L302 VanDerWaalsContact O-N 3.09Å; Q300-K303 PolarHBondContact O-N 2.69Å; Q300-E371 PolarHBondContact OE1-OE2 2.66Å
301	N	37.5	Very low	41	Very low	91 Å²	91	112.7 Å²	112.7	49%	0.487	56%	0.562	S	S	.	*			trans	-71.2	3.9	174.8	-114.6	2.8	0	0	0	114	Y297 K298 K303	Y297-N301 PolarHBondContact O-N 3.41Å; K298-N301 PolarHBondContact O-N 3.09Å; N301-K303 PolarHBondContact O-N 2.96Å
302	L	28.2	Very low	39.4	Very low	118 Å²	118	110.2 Å²	110.2	62%	0.618	56%	0.563	S	S	*	*			trans	-67.4	60.5	147.6	-78.1	155.3	0	0	0	109.3	K298 Q300 S304	K298-L302 PolarHBondContact O-N 2.94Å; Q300-L302 CarbonylContact O-C 3.52Å; Q300-L302 PolarHBondContact O-N 3.23Å; Q300-L302 VanDerWaalsContact O-N 3.09Å; L302-S304 PolarHBondContact O-N 3.28Å; L302-S304 VanDerWaalsContact O-N 3.13Å
303	K	32.4	Very low	37.5	Very low	156 Å²	156	108.2 Å²	108.2	68%	0.678	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	7.6	177.9	-95.5	-176.7	175.5	-180	0	113.5	Q300 N301 S305	Q300-K303 PolarHBondContact O-N 2.69Å; N301-K303 PolarHBondContact O-N 2.96Å; K303-S305 VanDerWaalsContact C-N 3.32Å
304	S	30.3	Very low	36.2	Very low	106 Å²	106	111.5 Å²	111.5	74%	0.741	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	3.6	175.7	67.3	0	0	0	0	114.1	L302	L302-S304 PolarHBondContact O-N 3.28Å; L302-S304 VanDerWaalsContact O-N 3.13Å
305	S	26.5	Very low	34.9	Very low	90 Å²	90	111.9 Å²	111.9	63%	0.629	58%	0.579	S	S	*	*	S	Bend	trans	-120	-2.1	179.7	-162.1	0	0	0	0	115.3	K303	K303-S305 VanDerWaalsContact C-N 3.32Å
306	W	25.1	Very low	34	Very low	194 Å²	194	113.9 Å²	113.9	74%	0.735	59%	0.591	S	S	*	*	S	Bend	trans	-137.5	19.1	-174.7	-61	75.2	0	0	0	113.3	L313	W306-L313 HydrophobicContact CE3-CD2 4.26Å; W306-L313 HydrophobicContact CH2-CD2 3.75Å; W306-L313 HydrophobicContact CZ2-CD2 4.13Å; W306-L313 HydrophobicContact CZ3-CB 4.47Å; W306-L313 HydrophobicContact CZ3-CD2 3.81Å
307	S	22.5	Very low	33.7	Very low	71 Å²	71	118.8 Å²	118.8	50%	0.497	61%	0.61	S	S	.	*			trans	-87.5	133.9	164.3	51.5	0	0	0	0	109
308	F	22.2	Very low	33.6	Very low	188 Å²	188	117.2 Å²	117.2	83%	0.825	62%	0.615	S	S	*	*	S	Bend	trans	72.4	87.1	169.6	-56.6	-82.1	0	0	0	117.6
309	H	22.6	Very low	33.2	Very low	157 Å²	157	114.4 Å²	114.4	73%	0.727	61%	0.611	S	S	*	*				166.9	123.6	120.3	-94.8	-72.5	0	0	0	109	V311	H309-V311 PolarHBondContact O-N 3.38Å
310	P	28.5	Very low	33.3	Very low	111 Å²	111	107.5 Å²	107.5	72%	0.721	59%	0.587	S	S	*	*	S	Bend	trans	-69.3	-0.6	-167.7	-17.8	30.6	0	0	0	117	F314	P310-F314 WeakPolarHBondContact O-CE2 3.38Å
311	V	29.3	Very low	33.8	Very low	128 Å²	128	104.3 Å²	104.3	78%	0.776	57%	0.573	S	S	*	*	S	Bend	trans	-128.3	-22.5	-167.7	-174.2	0	0	0	0	114.7	H309	H309-V311 PolarHBondContact O-N 3.38Å
312	S	28.4	Very low	34.5	Very low	95 Å²	95	106.4 Å²	106.4	66%	0.664	58%	0.575	S	S	*	*	S	Bend	trans	-97.4	0.7	-168.3	57.4	0	0	0	0	116.9
313	L	24.8	Very low	35.7	Very low	110 Å²	110	107.4 Å²	107.4	58%	0.576	57%	0.574	S	S	*	*			trans	-138.4	30.3	-179.6	-113	108.5	0	0	0	115.4	W306	W306-L313 HydrophobicContact CE3-CD2 4.26Å; W306-L313 HydrophobicContact CH2-CD2 3.75Å; W306-L313 HydrophobicContact CZ2-CD2 4.13Å; W306-L313 HydrophobicContact CZ3-CB 4.47Å; W306-L313 HydrophobicContact CZ3-CD2 3.81Å
314	F	31	Very low	37	Very low	79 Å²	79	101.3 Å²	101.3	35%	0.346	55%	0.549	S	S	.	.	S	Bend	trans	-66.1	137.8	159.3	-84	-84.3	0	0	0	108.7	P310 T316 F382	P310-F314 WeakPolarHBondContact O-CE2 3.38Å; F314-T316 VanDerWaalsContact C-N 3.28Å; F314-T316 PolarHBondContact O-N 3.36Å; F314-F382 HydrophobicContact CD1-CD2 4.07Å; F314-F382 HydrophobicContact CE1-CB 4.34Å; F314-F382 HydrophobicContact CE1-CD2 4.41Å; F314-F382 HydrophobicContact CG-CD2 4.37Å
315	P	36.2	Very low	38.3	Very low	61 Å²	61	102 Å²	102	40%	0.396	54%	0.535	S	S	.	.			trans	-67.6	94.1	178.1	27.2	-30	0	0	0	108.1	K317 L321	P315-K317 PolarHBondContact O-N 3.02Å; P315-L321 HydrophobicContact CG-CG 4.49Å
316	T	39.8	Very low	40	Very low	111 Å²	111	101.9 Å²	101.9	68%	0.681	53%	0.527	S	S	*	.			trans	-58.8	-10.2	173.2	53.4	0	0	0	0	112.4	F314	F314-T316 VanDerWaalsContact C-N 3.28Å; F314-T316 PolarHBondContact O-N 3.36Å
317	K	44.9	Very low	41.7	Very low	146 Å²	146	97.2 Å²	97.2	64%	0.635	51%	0.513	S	S	*	.	S	Bend	trans	-112.5	133.6	179.6	-60.1	-173.9	179.2	-173.7	0	110.5	P315 T319 G320	P315-K317 PolarHBondContact O-N 3.02Å; K317-T319 WeakPolarHBondContact CB-OG1 3.48Å; K317-T319 PolarHBondContact O-N 3.13Å; K317-G320 PolarHBondContact O-N 2.77Å
318	A	46.8	Very low	43.6	Very low	55 Å²	55	94 Å²	94	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-47.9	-24.8	172.5	0	0	0	0	0	113.7	G320 L321 Y322	A318-G320 VanDerWaalsContact C-N 3.34Å; A318-G320 PolarHBondContact O-N 3.09Å; A318-L321 PolarHBondContact O-N 3.39Å; A318-Y322 PolarHBondContact O-N 2.94Å
319	T	45.7	Very low	45.5	Very low	92 Å²	92	86.1 Å²	86.1	56%	0.564	46%	0.462	S	S	*	.	H	α-helix	trans	-60.9	-34.6	175.3	58.4	0	0	0	0	114	K317 K323	K317-T319 WeakPolarHBondContact CB-OG1 3.48Å; K317-T319 PolarHBondContact O-N 3.13Å; T319-K323 WeakPolarHBondContact O-CG 3.49Å; T319-K323 PolarHBondContact O-N 2.91Å; T319-K323 VanDerWaalsContact O-N 3.13Å
320	G	53.4	Low	47.7	Very low	22 Å²	22	81 Å²	81	23%	0.227	44%	0.444	C	S	.	.	H	α-helix	trans	-72.9	-39.1	178	0	0	0	0	0	112.6	K317 A318 K323 L324	K317-G320 PolarHBondContact O-N 2.77Å; A318-G320 VanDerWaalsContact C-N 3.34Å; A318-G320 PolarHBondContact O-N 3.09Å; G320-K323 PolarHBondContact O-N 3.36Å; G320-L324 PolarHBondContact O-N 3.26Å; G320-L324 VanDerWaalsContact O-N 3.08Å
321	L	53.2	Low	49.5	Very low	10 Å²	10	77 Å²	77	5%	0.052	42%	0.416	C	S	.	.	H	α-helix	trans	-65.2	-40.9	173.6	-67.2	169.6	0	0	0	111.6	P315 A318 K323 L324 W325 L379 L502 V505 I506 L509	P315-L321 HydrophobicContact CG-CG 4.49Å; A318-L321 PolarHBondContact O-N 3.39Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 3.45Å; L321-L324 WeakPolarHBondContact O-CB 3.47Å; L321-L324 PolarHBondContact O-N 2.69Å; L321-W325 PolarHBondContact O-N 3.25Å; L321-L379 HydrophobicContact CD2-CD2 3.78Å; L321-L502 HydrophobicContact CD1-CD1 3.49Å; L321-L502 VanDerWaalsContact CD1-CD1 3.49Å; L321-L502 HydrophobicContact CD1-CG 4.48Å; L321-V505 HydrophobicContact CB-CG1 4.11Å; L321-V505 HydrophobicContact CD1-CG1 4.09Å; L321-I506 HydrophobicContact CD1-CD1 4.02Å; L321-I506 HydrophobicContact CD1-CG1 3.43Å; L321-I506 VanDerWaalsContact CD1-CG1 3.43Å; L321-I506 HydrophobicContact CD2-CG1 4.13Å; L321-I506 HydrophobicContact CG-CG1 4.44Å; L321-L509 HydrophobicContact CB-CD2 4.41Å; L321-L509 HydrophobicContact CD2-CD2 3.84Å
322	Y	52	Low	51.3	Low	135 Å²	135	72.6 Å²	72.6	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-63.5	-38.5	176.1	-169.6	-105.4	0	0	0	112.4	A318 W325 I326	A318-Y322 PolarHBondContact O-N 2.94Å; Y322-W325 AromaticContact CD2-CE3 3.91Å; Y322-W325 HydrophobicContact CD2-CE3 3.91Å; Y322-W325 HydrophobicContact CD2-CZ3 4.39Å; Y322-W325 AromaticContact CE2-CE3 3.66Å; Y322-W325 HydrophobicContact CE2-CE3 3.66Å; Y322-W325 AromaticContact CE2-CZ3 3.73Å; Y322-W325 HydrophobicContact CE2-CZ3 3.73Å; Y322-W325 PolarHBondContact O-N 2.79Å; Y322-I326 HydrophobicContact CD1-CD1 3.6Å; Y322-I326 HydrophobicContact CD1-CG1 4.39Å; Y322-I326 HydrophobicContact CE1-CD1 3.27Å; Y322-I326 HydrophobicContact CE1-CG1 4.13Å; Y322-I326 WeakPolarHBondContact O-CG1 3.44Å; Y322-I326 PolarHBondContact O-N 2.74Å
323	K	54.9	Low	53.2	Low	138 Å²	138	72.7 Å²	72.7	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-61.6	-45.2	171.9	-77.6	178.6	-179	177.5	0	111.5	T319 G320 L321 W325 I326 H327	T319-K323 WeakPolarHBondContact O-CG 3.49Å; T319-K323 PolarHBondContact O-N 2.91Å; T319-K323 VanDerWaalsContact O-N 3.13Å; G320-K323 PolarHBondContact O-N 3.36Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 3.45Å; K323-W325 VanDerWaalsContact C-N 3.32Å; K323-W325 PolarHBondContact O-N 2.77Å; K323-I326 PolarHBondContact O-N 3.48Å; K323-H327 WeakPolarHBondContact O-CB 3.05Å; K323-H327 PolarHBondContact O-CD2 3.38Å; K323-H327 PolarHBondContact O-N 3.2Å
324	L	59.7	Low	55.2	Low	29 Å²	29	67.7 Å²	67.7	15%	0.152	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-42.3	176.8	-176.9	59.3	0	0	0	111.3	G320 L321 H327 I328 Y375 L379 L509	G320-L324 PolarHBondContact O-N 3.26Å; G320-L324 VanDerWaalsContact O-N 3.08Å; L321-L324 WeakPolarHBondContact O-CB 3.47Å; L321-L324 PolarHBondContact O-N 2.69Å; L324-H327 WeakPolarHBondContact O-CB 3.5Å; L324-H327 PolarHBondContact O-N 2.7Å; L324-I328 HydrophobicContact CD1-CD1 4.02Å; L324-I328 HydrophobicContact CD1-CG1 4.24Å; L324-I328 HydrophobicContact CG-CD1 3.86Å; L324-I328 WeakPolarHBondContact O-CG1 3.19Å; L324-I328 PolarHBondContact O-N 2.73Å; L324-Y375 HydrophobicContact CD1-CD1 4.14Å; L324-Y375 HydrophobicContact CD1-CD2 4.45Å; L324-Y375 HydrophobicContact CD1-CE1 4.24Å; L324-Y375 HydrophobicContact CD1-CG 4.25Å; L324-Y375 HydrophobicContact CD2-CD1 4.29Å; L324-L379 HydrophobicContact CD2-CD1 4.27Å; L324-L509 HydrophobicContact CD2-CD2 3.97Å; L324-L509 HydrophobicContact CG-CD2 4.35Å
325	W	57.6	Low	57.1	Low	121 Å²	121	64 Å²	64	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-47.5	175.6	-169.8	53.2	0	0	0	112.6	L321 Y322 K323 H327 I328 G329 L509 F512	L321-W325 PolarHBondContact O-N 3.25Å; Y322-W325 AromaticContact CD2-CE3 3.91Å; Y322-W325 HydrophobicContact CD2-CE3 3.91Å; Y322-W325 HydrophobicContact CD2-CZ3 4.39Å; Y322-W325 AromaticContact CE2-CE3 3.66Å; Y322-W325 HydrophobicContact CE2-CE3 3.66Å; Y322-W325 AromaticContact CE2-CZ3 3.73Å; Y322-W325 HydrophobicContact CE2-CZ3 3.73Å; Y322-W325 PolarHBondContact O-N 2.79Å; K323-W325 VanDerWaalsContact C-N 3.32Å; K323-W325 PolarHBondContact O-N 2.77Å; W325-H327 VanDerWaalsContact C-N 3.28Å; W325-H327 PolarHBondContact O-N 2.74Å; W325-I328 PolarHBondContact O-N 3.38Å; W325-G329 PolarHBondContact O-N 2.84Å; W325-L509 HydrophobicContact CB-CD1 3.79Å; W325-L509 HydrophobicContact CG-CD1 4.1Å; W325-F512 AromaticContact CD1-CD1 3.8Å; W325-F512 AromaticContact NE1-CD1 3.94Å; W325-F512 AromaticContact NE1-CG 3.85Å
326	I	62	Low	58.7	Low	86 Å²	86	63 Å²	63	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-39.9	174.3	-69.5	168.1	0	0	0	111	Y322 K323 G329 S330	Y322-I326 HydrophobicContact CD1-CD1 3.6Å; Y322-I326 HydrophobicContact CD1-CG1 4.39Å; Y322-I326 HydrophobicContact CE1-CD1 3.27Å; Y322-I326 HydrophobicContact CE1-CG1 4.13Å; Y322-I326 WeakPolarHBondContact O-CG1 3.44Å; Y322-I326 PolarHBondContact O-N 2.74Å; K323-I326 PolarHBondContact O-N 3.48Å; I326-G329 PolarHBondContact O-N 2.72Å; I326-S330 WeakPolarHBondContact O-CB 3.35Å; I326-S330 PolarHBondContact O-N 3.16Å
327	H	60	Low	60.1	Low	96 Å²	96	61 Å²	61	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-50.4	179.9	-83.7	-61.9	0	0	0	112.3	K323 L324 W325 G329 S330 L331	K323-H327 WeakPolarHBondContact O-CB 3.05Å; K323-H327 PolarHBondContact O-CD2 3.38Å; K323-H327 PolarHBondContact O-N 3.2Å; L324-H327 WeakPolarHBondContact O-CB 3.5Å; L324-H327 PolarHBondContact O-N 2.7Å; W325-H327 VanDerWaalsContact C-N 3.28Å; W325-H327 PolarHBondContact O-N 2.74Å; H327-G329 VanDerWaalsContact C-N 3.31Å; H327-G329 PolarHBondContact O-N 2.79Å; H327-S330 PolarHBondContact O-N 3.41Å; H327-L331 WeakPolarHBondContact O-CB 3.36Å; H327-L331 PolarHBondContact O-N 3.15Å
328	I	61.7	Low	61.4	Low	5 Å²	5	54.2 Å²	54.2	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-44.2	177	-59.9	158.9	0	0	0	108.9	L324 W325 S330 L331 T332 L509 F512 T513 F516	L324-I328 HydrophobicContact CD1-CD1 4.02Å; L324-I328 HydrophobicContact CD1-CG1 4.24Å; L324-I328 HydrophobicContact CG-CD1 3.86Å; L324-I328 WeakPolarHBondContact O-CG1 3.19Å; L324-I328 PolarHBondContact O-N 2.73Å; W325-I328 PolarHBondContact O-N 3.38Å; I328-S330 PolarHBondContact O-N 3.27Å; I328-L331 WeakPolarHBondContact O-CB 3.45Å; I328-L331 PolarHBondContact O-N 2.76Å; I328-L331 VanDerWaalsContact O-N 3.08Å; I328-T332 HydrophobicContact CG2-CG2 4.08Å; I328-T332 WeakPolarHBondContact O-CG2 3.39Å; I328-T332 PolarHBondContact O-N 2.83Å; I328-L509 HydrophobicContact CD1-CD1 4.14Å; I328-F512 HydrophobicContact CB-CD1 4.36Å; I328-F512 HydrophobicContact CB-CE1 3.88Å; I328-F512 HydrophobicContact CG2-CD1 3.92Å; I328-F512 HydrophobicContact CG2-CE1 3.48Å; I328-F512 VanDerWaalsContact CG2-CE1 3.48Å; I328-T513 HydrophobicContact CD1-CG2 3.62Å; I328-F516 HydrophobicContact CG2-CB 4.42Å; I328-F516 HydrophobicContact CG2-CD1 4.33Å; I328-F516 HydrophobicContact CG2-CG 4.25Å
329	G	64	Low	62.5	Low	22 Å²	22	51.6 Å²	51.6	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-55.5	-46.5	175.5	0	0	0	0	0	113.4	W325 I326 H327 L331 T332 N333	W325-G329 PolarHBondContact O-N 2.84Å; I326-G329 PolarHBondContact O-N 2.72Å; H327-G329 VanDerWaalsContact C-N 3.31Å; H327-G329 PolarHBondContact O-N 2.79Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.35Å; G329-T332 PolarHBondContact O-N 2.99Å; G329-T332 PolarHBondContact O-OG1 3.25Å; G329-N333 PolarHBondContact O-N 2.94Å
330	S	67.4	Low	63.6	Low	50 Å²	50	49.8 Å²	49.8	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-40.7	175.5	-174	0	0	0	0	112.1	I326 H327 I328 N333 D334	I326-S330 WeakPolarHBondContact O-CB 3.35Å; I326-S330 PolarHBondContact O-N 3.16Å; H327-S330 PolarHBondContact O-N 3.41Å; I328-S330 PolarHBondContact O-N 3.27Å; S330-N333 PolarHBondContact O-N 3.48Å; S330-D334 PolarHBondContact O-N 3.43Å
331	L	66.2	Low	64.4	Low	25 Å²	25	50.1 Å²	50.1	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-42.4	179.4	-165.3	68.9	0	0	0	111.4	L293 H327 I328 G329 N333 D334 L335 V368 V372 F516	L293-L331 HydrophobicContact CD2-CD1 3.34Å; L293-L331 HydrophobicContact CD2-CG 4.47Å; H327-L331 WeakPolarHBondContact O-CB 3.36Å; H327-L331 PolarHBondContact O-N 3.15Å; I328-L331 WeakPolarHBondContact O-CB 3.45Å; I328-L331 PolarHBondContact O-N 2.76Å; I328-L331 VanDerWaalsContact O-N 3.08Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.35Å; L331-N333 PolarHBondContact O-N 2.68Å; L331-D334 PolarHBondContact O-N 3.27Å; L331-L335 VanDerWaalsContact O-CB 3.27Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 PolarHBondContact O-N 3.02Å; L331-V368 HydrophobicContact CD1-CG1 4.38Å; L331-V368 HydrophobicContact CD1-CG2 4.02Å; L331-V368 HydrophobicContact CD2-CB 4.36Å; L331-V368 HydrophobicContact CD2-CG1 3.36Å; L331-V368 HydrophobicContact CD2-CG2 4.25Å; L331-V368 HydrophobicContact CG-CG1 3.82Å; L331-V368 HydrophobicContact CG-CG2 4.37Å; L331-V372 HydrophobicContact CD2-CG2 4.25Å; L331-F516 HydrophobicContact CD2-CZ 4.32Å; L331-F516 HydrophobicContact CG-CZ 4.47Å
332	T	67.3	Low	65.2	Low	36 Å²	36	49.9 Å²	49.9	22%	0.221	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-47.6	176.9	72.9	0	0	0	0	111.8	I328 G329 L335 S336 F512 F516	I328-T332 HydrophobicContact CG2-CG2 4.08Å; I328-T332 WeakPolarHBondContact O-CG2 3.39Å; I328-T332 PolarHBondContact O-N 2.83Å; G329-T332 PolarHBondContact O-N 2.99Å; G329-T332 PolarHBondContact O-OG1 3.25Å; T332-L335 PolarHBondContact O-N 3.49Å; T332-S336 WeakPolarHBondContact O-CB 3.46Å; T332-S336 PolarHBondContact O-N 3.16Å; T332-F512 HydrophobicContact CG2-CE1 4.23Å; T332-F512 HydrophobicContact CG2-CZ 3.95Å; T332-F516 HydrophobicContact CG2-CB 4.11Å; T332-F516 HydrophobicContact CG2-CD2 3.04Å; T332-F516 HydrophobicContact CG2-CE2 3.54Å; T332-F516 HydrophobicContact CG2-CG 3.73Å
333	N	67.9	Low	66	Low	97 Å²	97	45.8 Å²	45.8	52%	0.519	24%	0.243	S	C	.	.	H	α-helix	trans	-70.3	-41.8	-177	-172.5	31.7	0	0	0	111.4	G329 S330 L331 N337	G329-N333 PolarHBondContact O-N 2.94Å; S330-N333 PolarHBondContact O-N 3.48Å; L331-N333 PolarHBondContact O-N 2.68Å; N333-N337 VanDerWaalsContact O-CB 3.29Å; N333-N337 WeakPolarHBondContact O-CB 3.27Å; N333-N337 VanDerWaalsContact O-CG 3.3Å; N333-N337 PolarHBondContact O-N 3.27Å; N333-N337 PolarHBondContact O-ND2 3.33Å; N333-N337 PolarHBondContact OD1-ND2 2.93Å
334	D	67.9	Low	66.6	Low	5 Å²	5	47.4 Å²	47.4	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-40	176.7	-83.5	-28.6	0	0	0	111.5	L293 S330 L331 F338	L293-D334 HydrophobicContact CD2-CB 4.07Å; L293-D334 HydrophobicContact CG-CB 4.26Å; S330-D334 PolarHBondContact O-N 3.43Å; L331-D334 PolarHBondContact O-N 3.27Å; D334-F338 WeakPolarHBondContact O-CB 3.44Å; D334-F338 PolarHBondContact O-N 2.72Å
335	L	70.6	Confident	66.8	Low	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-43.8	177.2	-174.9	65.4	0	0	0	112.4	L331 T332 F338 T339 T365 F516	L331-L335 VanDerWaalsContact O-CB 3.27Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 PolarHBondContact O-N 3.02Å; T332-L335 PolarHBondContact O-N 3.49Å; L335-F338 HydrophobicContact CD1-CD1 4.42Å; L335-F338 WeakPolarHBondContact O-CB 3.46Å; L335-F338 PolarHBondContact O-N 2.67Å; L335-T339 PolarHBondContact O-N 3.47Å; L335-T339 PolarHBondContact O-OG1 3.27Å; L335-T339 VanDerWaalsContact O-OG1 3.12Å; L335-T365 HydrophobicContact CD1-CG2 4.02Å; L335-T365 HydrophobicContact CD2-CG2 3.95Å; L335-F516 HydrophobicContact CD2-CE2 4.12Å; L335-F516 HydrophobicContact CD2-CZ 4.13Å
336	S	70.6	Confident	67	Low	41 Å²	41	45.6 Å²	45.6	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-43.9	176.6	178.9	0	0	0	0	112.1	T332 F338 T339 S340 Y523	T332-S336 WeakPolarHBondContact O-CB 3.46Å; T332-S336 PolarHBondContact O-N 3.16Å; S336-F338 VanDerWaalsContact C-N 3.28Å; S336-F338 PolarHBondContact O-N 3.07Å; S336-T339 PolarHBondContact O-N 3.44Å; S336-S340 WeakPolarHBondContact O-CB 3.2Å; S336-S340 PolarHBondContact O-N 3.19Å; S336-S340 PolarHBondContact O-OG 3.45Å; S336-Y523 WeakPolarHBondContact CB-OH 3.43Å; S336-Y523 PolarHBondContact OG-OH 2.86Å
337	N	69.2	Low	66.8	Low	69 Å²	69	49.4 Å²	49.4	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-37.9	174.1	-78.3	-53.2	0	0	0	112	N333 S340 V341	N333-N337 VanDerWaalsContact O-CB 3.29Å; N333-N337 WeakPolarHBondContact O-CB 3.27Å; N333-N337 VanDerWaalsContact O-CG 3.3Å; N333-N337 PolarHBondContact O-N 3.27Å; N333-N337 PolarHBondContact O-ND2 3.33Å; N333-N337 PolarHBondContact OD1-ND2 2.93Å; N337-S340 WeakPolarHBondContact CA-OG 3.42Å; N337-S340 PolarHBondContact O-OG 3.42Å; N337-V341 WeakPolarHBondContact O-CB 3.42Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 3.37Å; N337-V341 VanDerWaalsContact O-N 3.14Å
338	F	71.2	Confident	66.2	Low	2 Å²	2	50.2 Å²	50.2	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-50	176.2	171.7	-94.7	0	0	0	111.9	F286 L290 D334 L335 S336 V341 L342 A361	F286-F338 AromaticContact CD2-CD2 3.51Å; F286-F338 HydrophobicContact CD2-CD2 3.51Å; F286-F338 AromaticContact CD2-CE2 3.61Å; F286-F338 HydrophobicContact CD2-CE2 3.61Å; F286-F338 AromaticContact CE2-CD2 3.38Å; F286-F338 HydrophobicContact CE2-CD2 3.38Å; F286-F338 AromaticContact CE2-CE2 2.94Å; F286-F338 HydrophobicContact CE2-CE2 2.94Å; F286-F338 HydrophobicContact CE2-CG 4.47Å; F286-F338 AromaticContact CE2-CZ 3.76Å; F286-F338 HydrophobicContact CE2-CZ 3.76Å; F286-F338 HydrophobicContact CZ-CD2 4.27Å; F286-F338 AromaticContact CZ-CE2 3.51Å; F286-F338 HydrophobicContact CZ-CE2 3.51Å; F286-F338 HydrophobicContact CZ-CZ 4.26Å; L290-F338 HydrophobicContact CD1-CE2 4.03Å; L290-F338 HydrophobicContact CD2-CD2 4.17Å; L290-F338 HydrophobicContact CD2-CE2 3.6Å; L290-F338 HydrophobicContact CD2-CZ 4.26Å; L290-F338 HydrophobicContact CG-CD2 4.11Å; L290-F338 HydrophobicContact CG-CE2 3.73Å; D334-F338 WeakPolarHBondContact O-CB 3.44Å; D334-F338 PolarHBondContact O-N 2.72Å; L335-F338 HydrophobicContact CD1-CD1 4.42Å; L335-F338 WeakPolarHBondContact O-CB 3.46Å; L335-F338 PolarHBondContact O-N 2.67Å; S336-F338 VanDerWaalsContact C-N 3.28Å; S336-F338 PolarHBondContact O-N 3.07Å; F338-V341 PolarHBondContact O-N 3.04Å; F338-L342 HydrophobicContact CD1-CD1 3.98Å; F338-L342 HydrophobicContact CE1-CD1 3.49Å; F338-L342 VanDerWaalsContact CE1-CD1 3.49Å; F338-L342 HydrophobicContact CE2-CD1 4.24Å; F338-L342 HydrophobicContact CZ-CD1 3.62Å; F338-L342 PolarHBondContact O-N 3Å; F338-L342 VanDerWaalsContact O-N 3.12Å; F338-A361 HydrophobicContact CE1-CB 3.4Å; F338-A361 HydrophobicContact CZ-CB 3.43Å; F338-A361 VanDerWaalsContact CZ-CB 3.43Å
339	T	69.9	Low	65.4	Low	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-42.5	-179.3	-53.6	0	0	0	0	112	L335 S336 V341 L342 L343 Y523	L335-T339 PolarHBondContact O-N 3.47Å; L335-T339 PolarHBondContact O-OG1 3.27Å; L335-T339 VanDerWaalsContact O-OG1 3.12Å; S336-T339 PolarHBondContact O-N 3.44Å; T339-V341 VanDerWaalsContact C-N 3.35Å; T339-V341 PolarHBondContact O-N 3.01Å; T339-L342 PolarHBondContact O-N 3.29Å; T339-L343 HydrophobicContact CG2-CD1 3.86Å; T339-L343 HydrophobicContact CG2-CG 4.29Å; T339-L343 WeakPolarHBondContact O-CG 3.25Å; T339-L343 PolarHBondContact O-N 2.87Å; T339-Y523 HydrophobicContact CG2-CD1 3.37Å; T339-Y523 HydrophobicContact CG2-CE1 3.91Å; T339-Y523 HydrophobicContact CG2-CG 4.01Å
340	S	69.5	Low	64.8	Low	55 Å²	55	58.2 Å²	58.2	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-38.8	177.4	60.1	0	0	0	0	112.7	S336 N337 R344	S336-S340 WeakPolarHBondContact O-CB 3.2Å; S336-S340 PolarHBondContact O-N 3.19Å; S336-S340 PolarHBondContact O-OG 3.45Å; N337-S340 WeakPolarHBondContact CA-OG 3.42Å; N337-S340 PolarHBondContact O-OG 3.42Å; S340-R344 WeakPolarHBondContact O-CB 3.43Å; S340-R344 PolarHBondContact O-N 3.11Å
341	V	70.4	Confident	64	Low	29 Å²	29	62.5 Å²	62.5	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-40.9	175.1	166.2	0	0	0	0	111.7	S282 F286 N337 F338 T339 R345	S282-V341 WeakPolarHBondContact OG-CG1 3.42Å; F286-V341 HydrophobicContact CB-CG1 4.33Å; N337-V341 WeakPolarHBondContact O-CB 3.42Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 3.37Å; N337-V341 VanDerWaalsContact O-N 3.14Å; F338-V341 PolarHBondContact O-N 3.04Å; T339-V341 VanDerWaalsContact C-N 3.35Å; T339-V341 PolarHBondContact O-N 3.01Å; V341-R345 WeakPolarHBondContact O-CB 3.14Å; V341-R345 PolarHBondContact O-N 2.96Å
342	L	69.3	Low	63.5	Low	5 Å²	5	64.8 Å²	64.8	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-47.9	177.7	-76.6	173.7	0	0	0	111.9	F286 F338 T339 R345 N346 V353 I357 A361 L527	F286-L342 HydrophobicContact CD2-CD2 4.44Å; F286-L342 HydrophobicContact CD2-CG 4.47Å; F286-L342 HydrophobicContact CE2-CD1 4.24Å; F286-L342 HydrophobicContact CE2-CD2 3.77Å; F286-L342 HydrophobicContact CE2-CG 3.98Å; F286-L342 HydrophobicContact CZ-CD2 4.47Å; F338-L342 HydrophobicContact CD1-CD1 3.98Å; F338-L342 HydrophobicContact CE1-CD1 3.49Å; F338-L342 VanDerWaalsContact CE1-CD1 3.49Å; F338-L342 HydrophobicContact CE2-CD1 4.24Å; F338-L342 HydrophobicContact CZ-CD1 3.62Å; F338-L342 PolarHBondContact O-N 3Å; F338-L342 VanDerWaalsContact O-N 3.12Å; T339-L342 PolarHBondContact O-N 3.29Å; L342-R345 PolarHBondContact O-N 3.16Å; L342-N346 PolarHBondContact O-N 3.27Å; L342-N346 VanDerWaalsContact O-N 3.16Å; L342-V353 HydrophobicContact CD2-CG1 4.08Å; L342-I357 HydrophobicContact CD2-CG2 3.85Å; L342-A361 HydrophobicContact CD1-CB 3.68Å; L342-L527 HydrophobicContact CD1-CD2 4.12Å
343	L	69.2	Low	63.4	Low	48 Å²	48	63.1 Å²	63.1	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-44.6	179.4	-66	171.4	0	0	0	111.7	T339 R345 N346 E347 I526 L530	T339-L343 HydrophobicContact CG2-CD1 3.86Å; T339-L343 HydrophobicContact CG2-CG 4.29Å; T339-L343 WeakPolarHBondContact O-CG 3.25Å; T339-L343 PolarHBondContact O-N 2.87Å; L343-R345 VanDerWaalsContact C-N 3.25Å; L343-R345 PolarHBondContact O-N 2.9Å; L343-N346 WeakPolarHBondContact O-CB 3.48Å; L343-N346 PolarHBondContact O-N 3.27Å; L343-E347 PolarHBondContact O-N 3.04Å; L343-I526 HydrophobicContact CD1-CG2 3.82Å; L343-I526 HydrophobicContact CD2-CG2 3.55Å; L343-I526 HydrophobicContact CG-CG2 4.28Å; L343-L530 HydrophobicContact CD2-CD2 4.29Å
344	R	66.5	Low	63.6	Low	172 Å²	172	61.3 Å²	61.3	65%	0.649	30%	0.304	S	S	*	.	H	α-helix	trans	-63	-32.5	177.5	-167	173.6	-158.7	-175.2	7.9	112.6	S340 I348	S340-R344 WeakPolarHBondContact O-CB 3.43Å; S340-R344 PolarHBondContact O-N 3.11Å; R344-I348 HydrophobicContact CG-CD1 3.37Å; R344-I348 HydrophobicContact CG-CG1 4Å; R344-I348 VanDerWaalsContact O-CB 3.26Å; R344-I348 WeakPolarHBondContact O-CB 3.39Å; R344-I348 VanDerWaalsContact O-CG1 3.32Å; R344-I348 WeakPolarHBondContact O-CG1 3.47Å; R344-I348 PolarHBondContact O-N 2.95Å
345	R	64.8	Low	64	Low	71 Å²	71	62.1 Å²	62.1	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-67	-40.1	173.8	-174	171.7	175.1	157.5	-2.9	111.2	V341 L342 L343 S349 V353	V341-R345 WeakPolarHBondContact O-CB 3.14Å; V341-R345 PolarHBondContact O-N 2.96Å; L342-R345 PolarHBondContact O-N 3.16Å; L343-R345 VanDerWaalsContact C-N 3.25Å; L343-R345 PolarHBondContact O-N 2.9Å; R345-S349 WeakPolarHBondContact CG-OG 3.46Å; R345-S349 PolarHBondContact O-N 2.98Å; R345-S349 PolarHBondContact O-OG 3.21Å; R345-V353 HydrophobicContact CB-CG2 4.15Å; R345-V353 HydrophobicContact CG-CG2 3.96Å
346	N	61.9	Low	64.1	Low	42 Å²	42	67.2 Å²	67.2	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-36.3	176.6	-166.5	59.3	0	0	0	112.8	L342 L343 L530	L342-N346 PolarHBondContact O-N 3.27Å; L342-N346 VanDerWaalsContact O-N 3.16Å; L343-N346 WeakPolarHBondContact O-CB 3.48Å; L343-N346 PolarHBondContact O-N 3.27Å; N346-L530 HydrophobicContact CB-CD1 3.93Å; N346-L530 WeakPolarHBondContact ND2-CD1 3.39Å
347	E	58.3	Low	64.3	Low	165 Å²	165	67.8 Å²	67.8	77%	0.771	34%	0.335	S	S	*	.	H	α-helix	trans	-77.7	-40.4	177.9	-71.9	-177.8	162.8	0	0	113.9	L343	L343-E347 PolarHBondContact O-N 3.04Å
348	I	47.5	Very low	64.8	Low	113 Å²	113	64.5 Å²	64.5	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-95.6	-26.2	-168.3	-60	-174.7	0	0	0	112.9	R344	R344-I348 HydrophobicContact CG-CD1 3.37Å; R344-I348 HydrophobicContact CG-CG1 4Å; R344-I348 VanDerWaalsContact O-CB 3.26Å; R344-I348 WeakPolarHBondContact O-CB 3.39Å; R344-I348 VanDerWaalsContact O-CG1 3.32Å; R344-I348 WeakPolarHBondContact O-CG1 3.47Å; R344-I348 PolarHBondContact O-N 2.95Å
349	S	45	Very low	65.1	Low	32 Å²	32	68.6 Å²	68.6	22%	0.224	34%	0.335	C	S	.	.			trans	-108.5	117.7	177	62.6	0	0	0	0	109.9	R345 H351	R345-S349 WeakPolarHBondContact CG-OG 3.46Å; R345-S349 PolarHBondContact O-N 2.98Å; R345-S349 PolarHBondContact O-OG 3.21Å; S349-H351 PolarHBondContact O-N 3.48Å; S349-H351 PolarHBondContact OG-O 3Å
350	H	49.7	Very low	65.3	Low	164 Å²	164	72 Å²	72	76%	0.759	36%	0.356	S	S	*	.	S	Bend	trans	-59	32.3	159.6	-53.8	-93.9	0	0	0	112.3	D596	H350-D596 IonicContact CE1-OD2 3.47Å; H350-D596 IonicContact ND1-OD2 2.66Å; H350-D596 PolarHBondContact ND1-OD2 3.24Å
351	H	50.5	Low	65.7	Low	140 Å²	140	69.4 Å²	69.4	65%	0.648	34%	0.338	S	S	*	.	S	Bend	trans	-128.5	107	176	-75.1	45.8	0	0	0	105.9	S349 V353	S349-H351 PolarHBondContact O-N 3.48Å; S349-H351 PolarHBondContact OG-O 3Å; H351-V353 PolarHBondContact O-N 3.33Å
352	H	56.7	Low	66.1	Low	72 Å²	72	68.7 Å²	68.7	33%	0.333	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-50.9	134.4	-179.8	-72.7	-69.8	0	0	0	111.1	P354 S537	H352-P354 WeakPolarHBondContact O-CD 3.18Å; H352-S537 PolarHBondContact CE1-OG 2.95Å; H352-S537 PolarHBondContact NE2-OG 2.91Å
353	V	65.2	Low	66.4	Low	1 Å²	1	73.5 Å²	73.5	1%	0.006	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.9	124.8	162.2	-178.2	0	0	0	0	106.5	L342 R345 H351 L355 I357 V358 I534	L342-V353 HydrophobicContact CD2-CG1 4.08Å; R345-V353 HydrophobicContact CB-CG2 4.15Å; R345-V353 HydrophobicContact CG-CG2 3.96Å; H351-V353 PolarHBondContact O-N 3.33Å; V353-L355 PolarHBondContact O-N 2.76Å; V353-I357 HydrophobicContact CG1-CB 4.04Å; V353-I357 HydrophobicContact CG1-CG2 3.96Å; V353-V358 HydrophobicContact CB-CG2 4.32Å; V353-V358 HydrophobicContact CG1-CG2 3.79Å; V353-I534 HydrophobicContact CB-CD1 4.33Å
354	P	72.8	Confident	66.7	Low	59 Å²	59	73 Å²	73	38%	0.383	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-50.9	133.4	174.2	-27.2	31.8	0	0	0	111	H352 D356 I357 V358	H352-P354 WeakPolarHBondContact O-CD 3.18Å; P354-D356 PolarHBondContact O-N 3.4Å; P354-D356 VanDerWaalsContact O-N 3.16Å; P354-I357 HydrophobicContact CB-CD1 4.18Å; P354-I357 HydrophobicContact CB-CG1 4.14Å; P354-I357 HydrophobicContact CG-CD1 3.88Å; P354-I357 HydrophobicContact CG-CG1 4.4Å; P354-I357 WeakPolarHBondContact O-CB 3.39Å; P354-I357 PolarHBondContact O-N 2.93Å; P354-V358 PolarHBondContact O-N 3.22Å
355	L	74.4	Confident	67.3	Low	22 Å²	22	64.9 Å²	64.9	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-54.6	-37.9	-176.9	-171.5	66.5	0	0	0	111.7	V353 I357 V358 K359 H531 I534	V353-L355 PolarHBondContact O-N 2.76Å; L355-I357 VanDerWaalsContact C-N 3.27Å; L355-I357 PolarHBondContact O-N 3.49Å; L355-V358 PolarHBondContact O-N 3.44Å; L355-V358 VanDerWaalsContact O-N 3.08Å; L355-K359 PolarHBondContact O-N 2.83Å; L355-H531 VanDerWaalsContact CD1-CD2 3.42Å; L355-H531 WeakPolarHBondContact CD1-CD2 3.34Å; L355-I534 HydrophobicContact CB-CG2 4.44Å; L355-I534 HydrophobicContact CD1-CB 4.22Å; L355-I534 HydrophobicContact CD1-CG2 4.03Å
356	D	73.3	Confident	68	Low	109 Å²	109	66.1 Å²	66.1	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-33.7	178.3	-55.8	-40.1	0	0	0	112.9	P354 V358 K359 V360	P354-D356 PolarHBondContact O-N 3.4Å; P354-D356 VanDerWaalsContact O-N 3.16Å; D356-V358 VanDerWaalsContact C-N 3.34Å; D356-K359 PolarHBondContact O-N 3.18Å; D356-V360 VanDerWaalsContact O-CG2 3.26Å; D356-V360 WeakPolarHBondContact O-CG2 3.3Å; D356-V360 PolarHBondContact O-N 3.49Å
357	I	74.1	Confident	68.8	Low	53 Å²	53	65.7 Å²	65.7	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-38.8	176.4	-66.3	-178.5	0	0	0	110.4	F286 L342 V353 P354 L355 A361	F286-I357 HydrophobicContact CE2-CG2 4.42Å; F286-I357 HydrophobicContact CZ-CG2 3.82Å; L342-I357 HydrophobicContact CD2-CG2 3.85Å; V353-I357 HydrophobicContact CG1-CB 4.04Å; V353-I357 HydrophobicContact CG1-CG2 3.96Å; P354-I357 HydrophobicContact CB-CD1 4.18Å; P354-I357 HydrophobicContact CB-CG1 4.14Å; P354-I357 HydrophobicContact CG-CD1 3.88Å; P354-I357 HydrophobicContact CG-CG1 4.4Å; P354-I357 WeakPolarHBondContact O-CB 3.39Å; P354-I357 PolarHBondContact O-N 2.93Å; L355-I357 VanDerWaalsContact C-N 3.27Å; L355-I357 PolarHBondContact O-N 3.49Å; I357-A361 WeakPolarHBondContact O-CB 3.39Å; I357-A361 PolarHBondContact O-N 2.79Å
358	V	80.3	Confident	69.6	Low	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-38.6	176.4	-174.8	0	0	0	0	110.8	V353 P354 L355 D356 A361 I362 L530 H531 I534	V353-V358 HydrophobicContact CB-CG2 4.32Å; V353-V358 HydrophobicContact CG1-CG2 3.79Å; P354-V358 PolarHBondContact O-N 3.22Å; L355-V358 PolarHBondContact O-N 3.44Å; L355-V358 VanDerWaalsContact O-N 3.08Å; D356-V358 VanDerWaalsContact C-N 3.34Å; V358-A361 WeakPolarHBondContact O-CB 3.44Å; V358-A361 PolarHBondContact O-N 2.89Å; V358-I362 HydrophobicContact CG1-CD1 4.26Å; V358-I362 WeakPolarHBondContact O-CG1 3.41Å; V358-I362 PolarHBondContact O-N 3.29Å; V358-L530 HydrophobicContact CG1-CD2 4.43Å; V358-L530 HydrophobicContact CG1-CG 4.5Å; V358-L530 HydrophobicContact CG2-CD2 4.14Å; V358-L530 HydrophobicContact CG2-CG 4.44Å; V358-H531 HydrophobicContact CG1-CB 3.88Å; V358-I534 HydrophobicContact CG2-CD1 3.78Å
359	K	77.1	Confident	71.1	Confident	88 Å²	88	53.3 Å²	53.3	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-48	173	-70.7	177.2	178.9	173.3	0	111.7	L355 D356 A361 I362 I363 H531	L355-K359 PolarHBondContact O-N 2.83Å; D356-K359 PolarHBondContact O-N 3.18Å; K359-A361 VanDerWaalsContact C-N 3.29Å; K359-A361 PolarHBondContact O-N 2.75Å; K359-I362 PolarHBondContact O-N 2.99Å; K359-I363 VanDerWaalsContact O-CG1 3.31Å; K359-I363 WeakPolarHBondContact O-CG1 3.39Å; K359-I363 PolarHBondContact O-N 3.04Å; K359-H531 WeakPolarHBondContact CE-NE2 3.48Å
360	V	75.7	Confident	72.6	Confident	73 Å²	73	57.4 Å²	57.4	44%	0.442	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-41.5	175.8	171.3	0	0	0	0	111	D356 I362 I363 V364	D356-V360 VanDerWaalsContact O-CG2 3.26Å; D356-V360 WeakPolarHBondContact O-CG2 3.3Å; D356-V360 PolarHBondContact O-N 3.49Å; V360-I362 PolarHBondContact O-N 3.38Å; V360-I363 PolarHBondContact O-N 2.87Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 WeakPolarHBondContact O-CB 3.43Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.47Å; V360-V364 PolarHBondContact O-N 3.06Å
361	A	76.3	Confident	73.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-46.8	175.4	0	0	0	0	0	112.8	F338 L342 I357 V358 K359 T365 L527	F338-A361 HydrophobicContact CE1-CB 3.4Å; F338-A361 HydrophobicContact CZ-CB 3.43Å; F338-A361 VanDerWaalsContact CZ-CB 3.43Å; L342-A361 HydrophobicContact CD1-CB 3.68Å; I357-A361 WeakPolarHBondContact O-CB 3.39Å; I357-A361 PolarHBondContact O-N 2.79Å; V358-A361 WeakPolarHBondContact O-CB 3.44Å; V358-A361 PolarHBondContact O-N 2.89Å; K359-A361 VanDerWaalsContact C-N 3.29Å; K359-A361 PolarHBondContact O-N 2.75Å; A361-T365 WeakPolarHBondContact O-CB 3.32Å; A361-T365 PolarHBondContact O-N 2.76Å; A361-T365 PolarHBondContact O-OG1 3.27Å; A361-L527 HydrophobicContact CB-CD1 4.05Å; A361-L527 HydrophobicContact CB-CD2 4.19Å
362	I	78.8	Confident	74.9	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-47.6	177.6	-67.7	165.9	0	0	0	110.4	V358 K359 V360 T365 K366 L527 F528 H531	V358-I362 HydrophobicContact CG1-CD1 4.26Å; V358-I362 WeakPolarHBondContact O-CG1 3.41Å; V358-I362 PolarHBondContact O-N 3.29Å; K359-I362 PolarHBondContact O-N 2.99Å; V360-I362 PolarHBondContact O-N 3.38Å; I362-T365 PolarHBondContact O-N 2.75Å; I362-K366 HydrophobicContact CG2-CD 4.36Å; I362-K366 WeakPolarHBondContact O-CG 3.19Å; I362-K366 PolarHBondContact O-N 3.11Å; I362-L527 HydrophobicContact CD1-CB 4.35Å; I362-L527 HydrophobicContact CG1-CB 3.67Å; I362-L527 HydrophobicContact CG1-CD1 4.42Å; I362-F528 HydrophobicContact CD1-CD1 3.95Å; I362-F528 HydrophobicContact CD1-CE1 4.1Å; I362-F528 HydrophobicContact CD1-CG 4.22Å; I362-F528 HydrophobicContact CD1-CZ 4.49Å; I362-F528 HydrophobicContact CG2-CD2 4.48Å; I362-F528 HydrophobicContact CG2-CE1 4.2Å; I362-F528 HydrophobicContact CG2-CE2 3.77Å; I362-F528 HydrophobicContact CG2-CZ 3.6Å; I362-H531 HydrophobicContact CD1-CB 4.14Å
363	I	76.8	Confident	76	Confident	107 Å²	107	46.2 Å²	46.2	55%	0.549	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-51.4	-179.6	-67.1	164.9	0	0	0	110.4	K359 V360 T365 K366 S367	K359-I363 VanDerWaalsContact O-CG1 3.31Å; K359-I363 WeakPolarHBondContact O-CG1 3.39Å; K359-I363 PolarHBondContact O-N 3.04Å; V360-I363 PolarHBondContact O-N 2.87Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.88Å; I363-K366 PolarHBondContact O-N 3.48Å; I363-S367 PolarHBondContact O-N 3.07Å; I363-S367 PolarHBondContact O-OG 3.27Å; I363-S367 VanDerWaalsContact O-OG 3.13Å
364	V	75.6	Confident	76.5	Confident	38 Å²	38	49.7 Å²	49.7	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-43.1	-179.7	171.2	0	0	0	0	111.3	L293 V360 S367 V368	L293-V364 HydrophobicContact CD1-CG1 4.31Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 WeakPolarHBondContact O-CB 3.43Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.47Å; V360-V364 PolarHBondContact O-N 3.06Å; V364-S367 PolarHBondContact O-N 3.37Å; V364-V368 WeakPolarHBondContact O-CG2 3.42Å; V364-V368 PolarHBondContact O-N 2.65Å; V364-V368 VanDerWaalsContact O-N 3.09Å
365	T	77.7	Confident	76.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-44.3	179.8	-50.8	0	0	0	0	111.4	L335 A361 I362 I363 V368 I369 V524	L335-T365 HydrophobicContact CD1-CG2 4.02Å; L335-T365 HydrophobicContact CD2-CG2 3.95Å; A361-T365 WeakPolarHBondContact O-CB 3.32Å; A361-T365 PolarHBondContact O-N 2.76Å; A361-T365 PolarHBondContact O-OG1 3.27Å; I362-T365 PolarHBondContact O-N 2.75Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.88Å; T365-V368 PolarHBondContact O-N 3.21Å; T365-I369 HydrophobicContact CG2-CD1 4.16Å; T365-I369 WeakPolarHBondContact O-CG1 3.42Å; T365-I369 PolarHBondContact O-N 2.91Å; T365-V524 HydrophobicContact CG2-CG2 3.45Å; T365-V524 VanDerWaalsContact CG2-CG2 3.45Å
366	K	81.1	Confident	76.7	Confident	98 Å²	98	54.9 Å²	54.9	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176	-76.3	-169.4	174	-166.9	0	112.5	I362 I363 V368 I369 M370 V524	I362-K366 HydrophobicContact CG2-CD 4.36Å; I362-K366 WeakPolarHBondContact O-CG 3.19Å; I362-K366 PolarHBondContact O-N 3.11Å; I363-K366 PolarHBondContact O-N 3.48Å; K366-V368 VanDerWaalsContact C-N 3.3Å; K366-V368 PolarHBondContact O-N 3.23Å; K366-I369 PolarHBondContact O-N 3.22Å; K366-M370 WeakPolarHBondContact O-CG 3.19Å; K366-M370 PolarHBondContact O-N 3.14Å; K366-V524 HydrophobicContact CG-CG1 4.47Å; K366-V524 HydrophobicContact CG-CG2 4.33Å
367	S	76.9	Confident	76.7	Confident	33 Å²	33	57 Å²	57	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-43.8	175.9	-65.2	0	0	0	0	111.9	I363 V364 M370 E371	I363-S367 PolarHBondContact O-N 3.07Å; I363-S367 PolarHBondContact O-OG 3.27Å; I363-S367 VanDerWaalsContact O-OG 3.13Å; V364-S367 PolarHBondContact O-N 3.37Å; S367-M370 PolarHBondContact O-N 3.45Å; S367-E371 PolarHBondContact O-N 3.39Å
368	V	75.8	Confident	76.5	Confident	8 Å²	8	57 Å²	57	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-44.1	175.6	161.1	0	0	0	0	112.1	L331 V364 T365 K366 M370 E371 V372 F516	L331-V368 HydrophobicContact CD1-CG1 4.38Å; L331-V368 HydrophobicContact CD1-CG2 4.02Å; L331-V368 HydrophobicContact CD2-CB 4.36Å; L331-V368 HydrophobicContact CD2-CG1 3.36Å; L331-V368 HydrophobicContact CD2-CG2 4.25Å; L331-V368 HydrophobicContact CG-CG1 3.82Å; L331-V368 HydrophobicContact CG-CG2 4.37Å; V364-V368 WeakPolarHBondContact O-CG2 3.42Å; V364-V368 PolarHBondContact O-N 2.65Å; V364-V368 VanDerWaalsContact O-N 3.09Å; T365-V368 PolarHBondContact O-N 3.21Å; K366-V368 VanDerWaalsContact C-N 3.3Å; K366-V368 PolarHBondContact O-N 3.23Å; V368-M370 PolarHBondContact O-N 2.9Å; V368-E371 PolarHBondContact O-N 3.25Å; V368-V372 PolarHBondContact O-N 2.62Å; V368-F516 HydrophobicContact CG1-CE1 3.89Å; V368-F516 HydrophobicContact CG1-CZ 3.57Å
369	I	79.9	Confident	75.9	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-49.6	177	-72.1	164	0	0	0	110.5	T365 K366 E371 V372 E373 L517 V524	T365-I369 HydrophobicContact CG2-CD1 4.16Å; T365-I369 WeakPolarHBondContact O-CG1 3.42Å; T365-I369 PolarHBondContact O-N 2.91Å; K366-I369 PolarHBondContact O-N 3.22Å; I369-E371 VanDerWaalsContact C-N 3.28Å; I369-E371 PolarHBondContact O-N 3.07Å; I369-V372 PolarHBondContact O-N 3.04Å; I369-V372 VanDerWaalsContact O-N 3.16Å; I369-E373 HydrophobicContact CG2-CG 4.25Å; I369-E373 WeakPolarHBondContact O-CG 3.21Å; I369-E373 PolarHBondContact O-N 3.14Å; I369-L517 HydrophobicContact CG2-CD2 3.96Å; I369-V524 HydrophobicContact CD1-CG2 3.64Å
370	M	75.8	Confident	75.6	Confident	118 Å²	118	57 Å²	57	58%	0.581	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-38.6	180	-69.4	-171.3	-57.1	0	0	112.6	K366 S367 V368 S374	K366-M370 WeakPolarHBondContact O-CG 3.19Å; K366-M370 PolarHBondContact O-N 3.14Å; S367-M370 PolarHBondContact O-N 3.45Å; V368-M370 PolarHBondContact O-N 2.9Å; M370-S374 PolarHBondContact O-N 3.05Å; M370-S374 VanDerWaalsContact O-N 3.1Å
371	E	72.1	Confident	74.9	Confident	48 Å²	48	57.2 Å²	57.2	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-44.6	176.3	-73.3	-174.2	159.2	0	0	112.1	Y297 Q300 S367 V368 I369 S374 Y375	Y297-E371 WeakPolarHBondContact CD2-OE1 3.16Å; Y297-E371 WeakPolarHBondContact CE2-OE1 3.07Å; Q300-E371 PolarHBondContact OE1-OE2 2.66Å; S367-E371 PolarHBondContact O-N 3.39Å; V368-E371 PolarHBondContact O-N 3.25Å; I369-E371 VanDerWaalsContact C-N 3.28Å; I369-E371 PolarHBondContact O-N 3.07Å; E371-S374 WeakPolarHBondContact O-CB 3.38Å; E371-S374 PolarHBondContact O-N 3.31Å; E371-Y375 WeakPolarHBondContact O-CD2 3.35Å; E371-Y375 PolarHBondContact O-N 2.89Å
372	V	77.1	Confident	74	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-36.3	178.8	177.5	0	0	0	0	111.7	L331 V368 I369 S374 Y375 R376 T513 F516 L517	L331-V372 HydrophobicContact CD2-CG2 4.25Å; V368-V372 PolarHBondContact O-N 2.62Å; I369-V372 PolarHBondContact O-N 3.04Å; I369-V372 VanDerWaalsContact O-N 3.16Å; V372-S374 VanDerWaalsContact C-N 3.3Å; V372-S374 PolarHBondContact O-N 3.31Å; V372-Y375 PolarHBondContact O-N 2.71Å; V372-R376 WeakPolarHBondContact O-CB 3.41Å; V372-R376 PolarHBondContact O-N 2.86Å; V372-T513 HydrophobicContact CG1-CG2 4.05Å; V372-F516 HydrophobicContact CB-CD1 4.23Å; V372-F516 HydrophobicContact CB-CE1 4.11Å; V372-F516 HydrophobicContact CG1-CD1 3.92Å; V372-F516 HydrophobicContact CG1-CE1 4.32Å; V372-F516 HydrophobicContact CG2-CD1 4.03Å; V372-F516 HydrophobicContact CG2-CE1 3.62Å; V372-L517 HydrophobicContact CB-CD2 4.11Å; V372-L517 HydrophobicContact CG1-CD1 4.49Å; V372-L517 HydrophobicContact CG1-CD2 4.05Å; V372-L517 HydrophobicContact CG1-CG 4.14Å
373	E	80.3	Confident	73	Confident	90 Å²	90	59.5 Å²	59.5	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-40.2	171.2	-74.8	176.1	168.6	0	0	111.8	I369 R376 K377 L517	I369-E373 HydrophobicContact CG2-CG 4.25Å; I369-E373 WeakPolarHBondContact O-CG 3.21Å; I369-E373 PolarHBondContact O-N 3.14Å; E373-R376 PolarHBondContact O-N 2.82Å; E373-K377 WeakPolarHBondContact O-CB 3.33Å; E373-K377 PolarHBondContact O-N 3.32Å; E373-L517 HydrophobicContact CG-CD1 4.05Å; E373-L517 HydrophobicContact CG-CD2 3.77Å
374	S	74.3	Confident	71.9	Confident	75 Å²	75	58.5 Å²	58.5	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.3	-171.7	0	0	0	0	111.6	M370 E371 V372 K377 S378	M370-S374 PolarHBondContact O-N 3.05Å; M370-S374 VanDerWaalsContact O-N 3.1Å; E371-S374 WeakPolarHBondContact O-CB 3.38Å; E371-S374 PolarHBondContact O-N 3.31Å; V372-S374 VanDerWaalsContact C-N 3.3Å; V372-S374 PolarHBondContact O-N 3.31Å; S374-K377 PolarHBondContact O-N 2.87Å; S374-S378 PolarHBondContact O-N 3.32Å; S374-S378 VanDerWaalsContact O-N 3.12Å; S374-S378 PolarHBondContact O-OG 2.84Å
375	Y	72.4	Confident	70.8	Confident	90 Å²	90	58 Å²	58	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-65.7	-43.6	176.5	-77.7	-65.6	0	0	0	112.4	L324 E371 V372 K377 S378 L379	L324-Y375 HydrophobicContact CD1-CD1 4.14Å; L324-Y375 HydrophobicContact CD1-CD2 4.45Å; L324-Y375 HydrophobicContact CD1-CE1 4.24Å; L324-Y375 HydrophobicContact CD1-CG 4.25Å; L324-Y375 HydrophobicContact CD2-CD1 4.29Å; E371-Y375 WeakPolarHBondContact O-CD2 3.35Å; E371-Y375 PolarHBondContact O-N 2.89Å; V372-Y375 PolarHBondContact O-N 2.71Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.55Å; Y375-S378 WeakPolarHBondContact O-CB 2.99Å; Y375-S378 PolarHBondContact O-N 3.47Å; Y375-S378 VanDerWaalsContact O-N 3.16Å; Y375-L379 WeakPolarHBondContact O-CG 3.42Å; Y375-L379 PolarHBondContact O-N 2.9Å
376	R	78.4	Confident	69.3	Low	99 Å²	99	59 Å²	59	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-45.3	175.2	-176.9	-166.6	-176.6	-115.9	3.5	110.7	V372 E373 S378 L379 N380 L510 D514	V372-R376 WeakPolarHBondContact O-CB 3.41Å; V372-R376 PolarHBondContact O-N 2.86Å; E373-R376 PolarHBondContact O-N 2.82Å; R376-S378 PolarHBondContact O-N 3.27Å; R376-L379 PolarHBondContact O-N 3.48Å; R376-N380 WeakPolarHBondContact O-CB 3.31Å; R376-N380 PolarHBondContact O-N 2.7Å; R376-L510 HydrophobicContact CG-CD2 3.92Å; R376-D514 WeakPolarHBondContact CD-OD1 3.31Å; R376-D514 IonicContact CZ-OD1 2.9Å; R376-D514 IonicContact CZ-OD2 3.02Å; R376-D514 IonicContact NE-OD1 2.72Å; R376-D514 PolarHBondContact NE-OD1 3.24Å; R376-D514 IonicContact NE-OD2 3.54Å; R376-D514 IonicContact NH2-OD1 2.73Å; R376-D514 PolarHBondContact NH2-OD1 3.26Å; R376-D514 IonicContact NH2-OD2 3.32Å; R376-D514 PolarHBondContact NH2-OD2 3.37Å
377	K	74.4	Confident	67.6	Low	154 Å²	154	58.5 Å²	58.5	67%	0.67	31%	0.305	S	S	*	.	H	α-helix	trans	-58.5	-47.5	176	-172.1	178.2	-179.2	179.9	0	110.9	E373 S374 Y375 L379 N380 T381	E373-K377 WeakPolarHBondContact O-CB 3.33Å; E373-K377 PolarHBondContact O-N 3.32Å; S374-K377 PolarHBondContact O-N 2.87Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.55Å; K377-L379 PolarHBondContact O-N 3.35Å; K377-N380 PolarHBondContact O-N 3.06Å; K377-T381 PolarHBondContact O-N 2.65Å; K377-T381 PolarHBondContact O-OG1 2.95Å
378	S	68.8	Low	66.2	Low	52 Å²	52	61.2 Å²	61.2	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-41.2	176.8	-62.4	0	0	0	0	113.5	S374 Y375 R376 T381 F382	S374-S378 PolarHBondContact O-N 3.32Å; S374-S378 VanDerWaalsContact O-N 3.12Å; S374-S378 PolarHBondContact O-OG 2.84Å; Y375-S378 WeakPolarHBondContact O-CB 2.99Å; Y375-S378 PolarHBondContact O-N 3.47Å; Y375-S378 VanDerWaalsContact O-N 3.16Å; R376-S378 PolarHBondContact O-N 3.27Å; S378-T381 PolarHBondContact O-N 3.25Å; S378-F382 PolarHBondContact O-N 3.42Å; S378-F382 VanDerWaalsContact O-N 3.09Å
379	L	69	Low	64.8	Low	14 Å²	14	61.7 Å²	61.7	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-42	176.3	-73.3	170.2	0	0	0	111.7	L321 L324 Y375 R376 K377 F382 L383 I506 L509 L510	L321-L379 HydrophobicContact CD2-CD2 3.78Å; L324-L379 HydrophobicContact CD2-CD1 4.27Å; Y375-L379 WeakPolarHBondContact O-CG 3.42Å; Y375-L379 PolarHBondContact O-N 2.9Å; R376-L379 PolarHBondContact O-N 3.48Å; K377-L379 PolarHBondContact O-N 3.35Å; L379-F382 WeakPolarHBondContact O-CB 3.34Å; L379-F382 PolarHBondContact O-N 3.35Å; L379-L383 PolarHBondContact O-N 3.47Å; L379-I506 HydrophobicContact CD2-CG2 4.28Å; L379-L509 HydrophobicContact CD1-CD2 3.77Å; L379-L509 HydrophobicContact CD1-CG 3.91Å; L379-L509 HydrophobicContact CD2-CD2 4.12Å; L379-L510 HydrophobicContact CB-CD2 3.59Å; L379-L510 HydrophobicContact CB-CG 4.15Å; L379-L510 HydrophobicContact CD1-CD2 4.12Å
380	N	70	Confident	63.2	Low	76 Å²	76	63.5 Å²	63.5	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-42.1	176.6	-165.1	35.3	0	0	0	111.1	R376 K377 F382 L383 T384	R376-N380 WeakPolarHBondContact O-CB 3.31Å; R376-N380 PolarHBondContact O-N 2.7Å; K377-N380 PolarHBondContact O-N 3.06Å; N380-F382 PolarHBondContact O-N 3.37Å; N380-L383 PolarHBondContact O-N 2.94Å; N380-L383 VanDerWaalsContact O-N 3.08Å; N380-T384 WeakPolarHBondContact O-CG2 3.25Å; N380-T384 PolarHBondContact O-N 3.38Å; N380-T384 PolarHBondContact O-OG1 3.08Å; N380-T384 VanDerWaalsContact O-OG1 3.06Å
381	T	61	Low	61.8	Low	77 Å²	77	58.4 Å²	58.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-39.3	172.5	-58.1	0	0	0	0	111.5	K377 S378 T384 A385	K377-T381 PolarHBondContact O-N 2.65Å; K377-T381 PolarHBondContact O-OG1 2.95Å; S378-T381 PolarHBondContact O-N 3.25Å; T381-T384 WeakPolarHBondContact CA-OG1 3.47Å; T381-T384 PolarHBondContact O-N 2.94Å; T381-T384 PolarHBondContact O-OG1 3.31Å; T381-A385 WeakPolarHBondContact O-CA 3.47Å; T381-A385 WeakPolarHBondContact O-CB 3.42Å; T381-A385 PolarHBondContact O-N 2.92Å
382	F	58.4	Low	60.4	Low	42 Å²	42	58.7 Å²	58.7	18%	0.184	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-39.3	175.4	-175.4	-86.3	0	0	0	112.7	F314 S378 L379 N380 M387 L502 I506	F314-F382 HydrophobicContact CD1-CD2 4.07Å; F314-F382 HydrophobicContact CE1-CB 4.34Å; F314-F382 HydrophobicContact CE1-CD2 4.41Å; F314-F382 HydrophobicContact CG-CD2 4.37Å; S378-F382 PolarHBondContact O-N 3.42Å; S378-F382 VanDerWaalsContact O-N 3.09Å; L379-F382 WeakPolarHBondContact O-CB 3.34Å; L379-F382 PolarHBondContact O-N 3.35Å; N380-F382 PolarHBondContact O-N 3.37Å; F382-M387 HydrophobicContact CE1-SD 4.28Å; F382-M387 HydrophobicContact CE2-SD 4.02Å; F382-M387 HydrophobicContact CZ-SD 3.59Å; F382-M387 VanDerWaalsContact CZ-SD 3.59Å; F382-L502 HydrophobicContact CZ-CD2 4.46Å; F382-I506 HydrophobicContact CD1-CD1 3.41Å; F382-I506 VanDerWaalsContact CD1-CD1 3.41Å; F382-I506 HydrophobicContact CE1-CD1 3.27Å; F382-I506 HydrophobicContact CG-CD1 4.47Å; F382-I506 HydrophobicContact CZ-CD1 4.25Å
383	L	56.7	Low	58.9	Low	18 Å²	18	60.2 Å²	60.2	9%	0.094	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-39.8	175.6	-72.1	-173.8	0	0	0	112.3	L379 N380 Q388 F503 I506 L510	L379-L383 PolarHBondContact O-N 3.47Å; N380-L383 PolarHBondContact O-N 2.94Å; N380-L383 VanDerWaalsContact O-N 3.08Å; L383-Q388 WeakPolarHBondContact O-CG 3.28Å; L383-Q388 PolarHBondContact O-NE2 3.16Å; L383-F503 HydrophobicContact CD2-CD2 3.76Å; L383-F503 HydrophobicContact CD2-CE2 3.57Å; L383-F503 HydrophobicContact CD2-CZ 4.27Å; L383-I506 HydrophobicContact CD1-CG2 4.08Å; L383-I506 HydrophobicContact CD2-CB 4.16Å; L383-I506 HydrophobicContact CD2-CG2 3.59Å; L383-I506 HydrophobicContact CG-CG2 3.7Å; L383-L510 HydrophobicContact CD1-CD1 3.24Å; L383-L510 HydrophobicContact CD1-CG 4.46Å; L383-L510 HydrophobicContact CG-CD1 4.23Å
384	T	54.2	Low	57.2	Low	86 Å²	86	62 Å²	62	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-82.8	-15.7	-179.5	58.3	0	0	0	0	113.4	N380 T381	N380-T384 WeakPolarHBondContact O-CG2 3.25Å; N380-T384 PolarHBondContact O-N 3.38Å; N380-T384 PolarHBondContact O-OG1 3.08Å; N380-T384 VanDerWaalsContact O-OG1 3.06Å; T381-T384 WeakPolarHBondContact CA-OG1 3.47Å; T381-T384 PolarHBondContact O-N 2.94Å; T381-T384 PolarHBondContact O-OG1 3.31Å
385	A	51.9	Low	55.7	Low	27 Å²	27	63.1 Å²	63.1	22%	0.223	32%	0.323	C	S	.	.	S	Bend	trans	-60.3	164.4	176.1	0	0	0	0	0	111.3	T381 M387 Q388	T381-A385 WeakPolarHBondContact O-CA 3.47Å; T381-A385 WeakPolarHBondContact O-CB 3.42Å; T381-A385 PolarHBondContact O-N 2.92Å; A385-M387 PolarHBondContact O-N 3.36Å; A385-Q388 PolarHBondContact O-N 3.14Å
386	P	47.2	Very low	54.2	Low	23 Å²	23	62.2 Å²	62.2	15%	0.149	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-10.1	-176.5	-24.6	29.2	0	0	0	115.5	Q388 T389 V390 E420 M424	P386-Q388 PolarHBondContact O-N 3.34Å; P386-T389 CarbonylContact O-C 3.54Å; P386-T389 WeakPolarHBondContact O-CA 3.44Å; P386-T389 WeakPolarHBondContact O-CB 3.38Å; P386-T389 PolarHBondContact O-N 3.19Å; P386-T389 PolarHBondContact O-OG1 3.48Å; P386-V390 WeakPolarHBondContact O-CG2 3.42Å; P386-V390 PolarHBondContact O-N 2.8Å; P386-E420 WeakPolarHBondContact CD-OE1 3.32Å; P386-E420 HydrophobicContact CG-CG 3.4Å; P386-E420 VanDerWaalsContact CG-CG 3.4Å; P386-E420 WeakPolarHBondContact CG-OE1 3.49Å; P386-M424 HydrophobicContact CB-CG 3.95Å; P386-M424 HydrophobicContact CB-SD 4.45Å; P386-M424 HydrophobicContact CG-CG 4.38Å; P386-M424 HydrophobicContact CG-SD 4.43Å
387	M	45.1	Very low	52.3	Low	86 Å²	86	64 Å²	64	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-29.5	168.9	-74.1	-146.6	159.4	0	0	113.1	F382 A385 T389 V390 G391 Y499	F382-M387 HydrophobicContact CE1-SD 4.28Å; F382-M387 HydrophobicContact CE2-SD 4.02Å; F382-M387 HydrophobicContact CZ-SD 3.59Å; F382-M387 VanDerWaalsContact CZ-SD 3.59Å; A385-M387 PolarHBondContact O-N 3.36Å; M387-T389 VanDerWaalsContact C-N 3.32Å; M387-V390 PolarHBondContact O-N 3.28Å; M387-G391 PolarHBondContact O-N 3.18Å; M387-Y499 HydrophobicContact CB-CE2 4.35Å; M387-Y499 WeakPolarHBondContact CB-OH 3.33Å; M387-Y499 PolarHBondContact O-OH 3.46Å; M387-Y499 VanDerWaalsContact O-OH 3.13Å; M387-Y499 HydrophobicContact SD-CE2 3.88Å
388	Q	46.7	Very low	50.7	Low	90 Å²	90	62.6 Å²	62.6	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-44.4	166	-100.2	179.7	26.7	0	0	111	L383 A385 P386 G391 M392	L383-Q388 WeakPolarHBondContact O-CG 3.28Å; L383-Q388 PolarHBondContact O-NE2 3.16Å; A385-Q388 PolarHBondContact O-N 3.14Å; P386-Q388 PolarHBondContact O-N 3.34Å; Q388-G391 PolarHBondContact O-N 3.13Å; Q388-M392 WeakPolarHBondContact O-CB 3.36Å; Q388-M392 WeakPolarHBondContact O-CG 3.43Å; Q388-M392 PolarHBondContact O-N 3.29Å
389	T	46.3	Very low	49.7	Very low	19 Å²	19	65 Å²	65	12%	0.117	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-44.5	178.2	-40.2	0	0	0	0	111.8	P386 M387 M393 I408 M424	P386-T389 CarbonylContact O-C 3.54Å; P386-T389 WeakPolarHBondContact O-CA 3.44Å; P386-T389 WeakPolarHBondContact O-CB 3.38Å; P386-T389 PolarHBondContact O-N 3.19Å; P386-T389 PolarHBondContact O-OG1 3.48Å; M387-T389 VanDerWaalsContact C-N 3.32Å; T389-M393 WeakPolarHBondContact O-CG 3.44Å; T389-M393 PolarHBondContact O-N 3.03Å; T389-I408 HydrophobicContact CG2-CB 4.02Å; T389-I408 HydrophobicContact CG2-CD1 4.39Å; T389-I408 HydrophobicContact CG2-CG1 3.61Å; T389-I408 HydrophobicContact CG2-CG2 3.52Å; T389-M424 HydrophobicContact CG2-CE 3.7Å; T389-M424 HydrophobicContact CG2-CG 4.49Å
390	V	46.6	Very low	48.7	Very low	47 Å²	47	67.8 Å²	67.8	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-67.6	-43.8	176.5	178	0	0	0	0	111.2	P386 M387 M393 H394 T427	P386-V390 WeakPolarHBondContact O-CG2 3.42Å; P386-V390 PolarHBondContact O-N 2.8Å; M387-V390 PolarHBondContact O-N 3.28Å; V390-M393 PolarHBondContact O-N 3.11Å; V390-H394 PolarHBondContact O-N 3.26Å; V390-T427 HydrophobicContact CG1-CG2 4.28Å; V390-T427 HydrophobicContact CG2-CG2 4.11Å
391	G	47.2	Very low	47.6	Very low	10 Å²	10	65.7 Å²	65.7	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-64.5	-40.1	176	0	0	0	0	0	112.3	M387 Q388 M393 H394 L395	M387-G391 PolarHBondContact O-N 3.18Å; Q388-G391 PolarHBondContact O-N 3.13Å; G391-M393 PolarHBondContact O-N 3.11Å; G391-H394 PolarHBondContact O-N 3.08Å; G391-H394 VanDerWaalsContact O-N 3.15Å; G391-L395 WeakPolarHBondContact O-CD1 3.18Å; G391-L395 WeakPolarHBondContact O-CG 3.36Å; G391-L395 PolarHBondContact O-N 3.36Å
392	M	42.5	Very low	47.2	Very low	55 Å²	55	69 Å²	69	27%	0.271	37%	0.369	S	S	.	.	H	α-helix	trans	-59.7	-43.9	173.1	-74.8	-107.3	-75.5	0	0	110.9	Q388 H394 L395 F396	Q388-M392 WeakPolarHBondContact O-CB 3.36Å; Q388-M392 WeakPolarHBondContact O-CG 3.43Å; Q388-M392 PolarHBondContact O-N 3.29Å; M392-H394 PolarHBondContact O-N 3.12Å; M392-L395 PolarHBondContact O-N 3.36Å; M392-F396 HydrophobicContact CB-CE2 4.11Å; M392-F396 HydrophobicContact CE-CE2 4.48Å; M392-F396 WeakPolarHBondContact O-CD2 3.48Å; M392-F396 WeakPolarHBondContact O-CE2 3.1Å; M392-F396 PolarHBondContact O-N 3.33Å; M392-F396 HydrophobicContact SD-CE2 4.04Å; M392-F396 HydrophobicContact SD-CZ 4.2Å
393	M	44.8	Very low	46.8	Very low	34 Å²	34	72.6 Å²	72.6	17%	0.167	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-30.3	175.4	-71.4	-161.1	94.9	0	0	113.9	T389 V390 G391 I408 T427 V428 A431	T389-M393 WeakPolarHBondContact O-CG 3.44Å; T389-M393 PolarHBondContact O-N 3.03Å; V390-M393 PolarHBondContact O-N 3.11Å; G391-M393 PolarHBondContact O-N 3.11Å; M393-I408 HydrophobicContact CE-CD1 3.99Å; M393-I408 HydrophobicContact CG-CD1 3.27Å; M393-I408 HydrophobicContact SD-CD1 3.83Å; M393-T427 HydrophobicContact SD-CG2 3.67Å; M393-V428 HydrophobicContact CE-CB 4.31Å; M393-V428 HydrophobicContact CE-CG2 4.13Å; M393-V428 HydrophobicContact SD-CB 4.48Å; M393-V428 HydrophobicContact SD-CG2 4Å; M393-A431 HydrophobicContact CE-CB 3.3Å; M393-A431 HydrophobicContact SD-CB 4.33Å
394	H	46	Very low	46.4	Very low	129 Å²	129	72 Å²	72	60%	0.597	38%	0.383	S	S	*	.	H	α-helix	trans	-83.1	-18.9	175.4	-76.7	-47.8	0	0	0	114	V390 G391 M392	V390-H394 PolarHBondContact O-N 3.26Å; G391-H394 PolarHBondContact O-N 3.08Å; G391-H394 VanDerWaalsContact O-N 3.15Å; M392-H394 PolarHBondContact O-N 3.12Å
395	L	42.8	Very low	46.3	Very low	98 Å²	98	68.4 Å²	68.4	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-80.5	-28.2	-176.8	-85.8	159.5	0	0	0	114	G391 M392 N397 Y496	G391-L395 WeakPolarHBondContact O-CD1 3.18Å; G391-L395 WeakPolarHBondContact O-CG 3.36Å; G391-L395 PolarHBondContact O-N 3.36Å; M392-L395 PolarHBondContact O-N 3.36Å; L395-N397 PolarHBondContact O-N 3.09Å; L395-Y496 HydrophobicContact CD2-CE2 3.81Å; L395-Y496 WeakPolarHBondContact CD2-OH 3.2Å; L395-Y496 HydrophobicContact CG-CE2 4.14Å
396	F	39.7	Very low	46.3	Very low	71 Å²	71	71 Å²	71	31%	0.311	38%	0.377	S	S	.	.			trans	-81.7	110.9	-175.2	-66.2	-77.1	0	0	0	111.6	M392 D400 S404	M392-F396 HydrophobicContact CB-CE2 4.11Å; M392-F396 HydrophobicContact CE-CE2 4.48Å; M392-F396 WeakPolarHBondContact O-CD2 3.48Å; M392-F396 WeakPolarHBondContact O-CE2 3.1Å; M392-F396 PolarHBondContact O-N 3.33Å; M392-F396 HydrophobicContact SD-CE2 4.04Å; M392-F396 HydrophobicContact SD-CZ 4.2Å; F396-D400 HydrophobicContact CD1-CB 3.99Å; F396-S404 WeakPolarHBondContact CD1-OG 3.46Å; F396-S404 WeakPolarHBondContact CD2-OG 3.29Å; F396-S404 WeakPolarHBondContact CE1-OG 3.31Å; F396-S404 WeakPolarHBondContact CE2-OG 3.39Å; F396-S404 WeakPolarHBondContact CG-OG 3.16Å; F396-S404 WeakPolarHBondContact CZ-OG 3.38Å
397	N	38.7	Very low	46.6	Very low	137 Å²	137	76.4 Å²	76.4	73%	0.733	39%	0.394	S	S	*	.			trans	-55.8	147.8	157.7	-148.3	0.4	0	0	0	108.6	L395 S399 D400	L395-N397 PolarHBondContact O-N 3.09Å; N397-S399 PolarHBondContact O-N 2.73Å; N397-D400 PolarHBondContact O-N 3.11Å
398	L	40.9	Very low	46.9	Very low	123 Å²	123	72.5 Å²	72.5	64%	0.644	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-13.9	-165.3	-85.4	146.8	0	0	0	117.9
399	S	47.4	Very low	47.4	Very low	102 Å²	102	70.1 Å²	70.1	71%	0.713	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-30.6	-177.1	62.3	0	0	0	0	114.4	N397	N397-S399 PolarHBondContact O-N 2.73Å
400	D	48.3	Very low	47.8	Very low	74 Å²	74	74.6 Å²	74.6	40%	0.396	38%	0.382	S	S	.	.			trans	-115.6	20	-166.3	-62.1	-9.8	0	0	0	113.8	F396 N397 H402 E403 S404	F396-D400 HydrophobicContact CD1-CB 3.99Å; N397-D400 PolarHBondContact O-N 3.11Å; D400-H402 PolarHBondContact O-N 3.34Å; D400-H402 VanDerWaalsContact O-N 3.09Å; D400-E403 PolarHBondContact O-N 2.88Å; D400-E403 VanDerWaalsContact O-N 3.14Å; D400-S404 PolarHBondContact O-N 3.41Å; D400-S404 PolarHBondContact O-OG 2.71Å; D400-S404 VanDerWaalsContact O-OG 3.06Å
401	V	48.2	Very low	48.1	Very low	31 Å²	31	77.3 Å²	77.3	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-49.3	-41.9	-178.1	174	0	0	0	0	111.6	I405 L437	V401-I405 HydrophobicContact CG1-CD1 3.34Å; V401-I405 HydrophobicContact CG1-CG1 4.37Å; V401-I405 VanDerWaalsContact O-CB 3.26Å; V401-I405 WeakPolarHBondContact O-CB 3.21Å; V401-I405 WeakPolarHBondContact O-CD1 3.43Å; V401-I405 WeakPolarHBondContact O-CG1 3.39Å; V401-I405 PolarHBondContact O-N 2.81Å; V401-L437 HydrophobicContact CG1-CD1 4.06Å
402	H	51	Low	48.5	Very low	148 Å²	148	77.1 Å²	77.1	69%	0.685	39%	0.388	S	S	*	.	H	α-helix	trans	-68.8	-40.8	-179	-79.1	-72.1	0	0	0	115	D400 I405 S406	D400-H402 PolarHBondContact O-N 3.34Å; D400-H402 VanDerWaalsContact O-N 3.09Å; H402-I405 PolarHBondContact O-N 3.03Å; H402-S406 PolarHBondContact O-N 3.25Å
403	E	50.1	Low	49.1	Very low	116 Å²	116	75.6 Å²	75.6	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-67.6	-42.4	-178.4	-169.3	-178.4	159.4	0	0	110.6	D400 S406 R407	D400-E403 PolarHBondContact O-N 2.88Å; D400-E403 VanDerWaalsContact O-N 3.14Å; E403-S406 WeakPolarHBondContact O-CB 3.36Å; E403-S406 PolarHBondContact O-N 2.81Å; E403-R407 PolarHBondContact O-N 2.88Å; E403-R407 VanDerWaalsContact O-N 3.1Å; E403-R407 IonicContact OE1-NH2 3.62Å
404	S	50.2	Low	49.7	Very low	5 Å²	5	77.4 Å²	77.4	4%	0.035	39%	0.39	C	S	.	.	H	α-helix	trans	-65.7	-42	178.9	-47.7	0	0	0	0	111.5	F396 D400 S406 R407 I408	F396-S404 WeakPolarHBondContact CD1-OG 3.46Å; F396-S404 WeakPolarHBondContact CD2-OG 3.29Å; F396-S404 WeakPolarHBondContact CE1-OG 3.31Å; F396-S404 WeakPolarHBondContact CE2-OG 3.39Å; F396-S404 WeakPolarHBondContact CG-OG 3.16Å; F396-S404 WeakPolarHBondContact CZ-OG 3.38Å; D400-S404 PolarHBondContact O-N 3.41Å; D400-S404 PolarHBondContact O-OG 2.71Å; D400-S404 VanDerWaalsContact O-OG 3.06Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.68Å; S404-R407 PolarHBondContact O-N 2.79Å; S404-I408 WeakPolarHBondContact O-CG1 3.47Å; S404-I408 PolarHBondContact O-N 2.85Å
405	I	50.4	Low	50.2	Low	11 Å²	11	72 Å²	72	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-40.4	172.8	-74.5	165.7	0	0	0	111.3	V401 H402 R407 I408 W409 Y432	V401-I405 HydrophobicContact CG1-CD1 3.34Å; V401-I405 HydrophobicContact CG1-CG1 4.37Å; V401-I405 VanDerWaalsContact O-CB 3.26Å; V401-I405 WeakPolarHBondContact O-CB 3.21Å; V401-I405 WeakPolarHBondContact O-CD1 3.43Å; V401-I405 WeakPolarHBondContact O-CG1 3.39Å; V401-I405 PolarHBondContact O-N 2.81Å; H402-I405 PolarHBondContact O-N 3.03Å; I405-R407 VanDerWaalsContact C-N 3.28Å; I405-R407 PolarHBondContact O-N 3Å; I405-I408 PolarHBondContact O-N 3.25Å; I405-W409 WeakPolarHBondContact O-CB 3.31Å; I405-W409 VanDerWaalsContact O-CD1 3.23Å; I405-W409 PolarHBondContact O-N 2.88Å; I405-Y432 HydrophobicContact CD1-CD2 4.4Å; I405-Y432 HydrophobicContact CD1-CE2 3.51Å; I405-Y432 HydrophobicContact CG1-CE2 4.22Å; I405-Y432 HydrophobicContact CG2-CE2 4.34Å
406	S	52.7	Low	50.9	Low	81 Å²	81	72.5 Å²	72.5	57%	0.566	37%	0.374	S	S	*	.	H	α-helix	trans	-62.2	-36.6	177.4	-159.1	0	0	0	0	112	H402 E403 S404 H410	H402-S406 PolarHBondContact O-N 3.25Å; E403-S406 WeakPolarHBondContact O-CB 3.36Å; E403-S406 PolarHBondContact O-N 2.81Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.68Å; S406-H410 WeakPolarHBondContact O-CB 3.43Å; S406-H410 PolarHBondContact O-N 3.1Å
407	R	52.8	Low	51.7	Low	137 Å²	137	72.2 Å²	72.2	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-67.6	-43.1	172.1	-69.7	-175.3	-174.9	-165.2	5.2	112.3	E403 S404 I405 W409 H410 E411	E403-R407 PolarHBondContact O-N 2.88Å; E403-R407 VanDerWaalsContact O-N 3.1Å; E403-R407 IonicContact OE1-NH2 3.62Å; S404-R407 PolarHBondContact O-N 2.79Å; I405-R407 VanDerWaalsContact C-N 3.28Å; I405-R407 PolarHBondContact O-N 3Å; R407-W409 VanDerWaalsContact C-N 3.33Å; R407-W409 PolarHBondContact O-N 3.16Å; R407-H410 WeakPolarHBondContact O-CB 3.37Å; R407-H410 PolarHBondContact O-N 3.07Å; R407-H410 VanDerWaalsContact O-N 3.15Å; R407-E411 PolarHBondContact O-N 2.85Å
408	I	52.2	Low	52.4	Low	5 Å²	5	68.1 Å²	68.1	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-41.3	178.5	-62	163.1	0	0	0	110.8	T389 M393 S404 I405 H410 E411 L412 V428	T389-I408 HydrophobicContact CG2-CB 4.02Å; T389-I408 HydrophobicContact CG2-CD1 4.39Å; T389-I408 HydrophobicContact CG2-CG1 3.61Å; T389-I408 HydrophobicContact CG2-CG2 3.52Å; M393-I408 HydrophobicContact CE-CD1 3.99Å; M393-I408 HydrophobicContact CG-CD1 3.27Å; M393-I408 HydrophobicContact SD-CD1 3.83Å; S404-I408 WeakPolarHBondContact O-CG1 3.47Å; S404-I408 PolarHBondContact O-N 2.85Å; I405-I408 PolarHBondContact O-N 3.25Å; I408-H410 VanDerWaalsContact C-N 3.34Å; I408-E411 PolarHBondContact O-N 2.98Å; I408-L412 VanDerWaalsContact O-CB 3.23Å; I408-L412 WeakPolarHBondContact O-CB 3.22Å; I408-L412 PolarHBondContact O-N 3.02Å; I408-V428 HydrophobicContact CB-CG2 4.3Å; I408-V428 HydrophobicContact CD1-CG2 4.46Å; I408-V428 HydrophobicContact CG2-CG2 3.34Å
409	W	55.9	Low	53.1	Low	39 Å²	39	66.2 Å²	66.2	15%	0.148	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-45.4	171.9	-84.6	119.2	0	0	0	111.2	I405 R407 E411 L412 F413 L425 I445	I405-W409 WeakPolarHBondContact O-CB 3.31Å; I405-W409 VanDerWaalsContact O-CD1 3.23Å; I405-W409 PolarHBondContact O-N 2.88Å; R407-W409 VanDerWaalsContact C-N 3.33Å; R407-W409 PolarHBondContact O-N 3.16Å; W409-E411 VanDerWaalsContact C-N 3.33Å; W409-E411 PolarHBondContact O-N 3.13Å; W409-L412 HydrophobicContact CE3-CD2 4.09Å; W409-L412 HydrophobicContact CZ3-CD2 3.96Å; W409-L412 PolarHBondContact O-N 3.49Å; W409-F413 HydrophobicContact CB-CD2 4.24Å; W409-F413 HydrophobicContact CB-CE2 3.81Å; W409-F413 HydrophobicContact CD2-CE2 4.13Å; W409-F413 HydrophobicContact CD2-CZ 4.12Å; W409-F413 HydrophobicContact CE3-CD2 4.5Å; W409-F413 AromaticContact CE3-CE1 3.99Å; W409-F413 HydrophobicContact CE3-CE1 3.99Å; W409-F413 AromaticContact CE3-CE2 3.58Å; W409-F413 HydrophobicContact CE3-CE2 3.58Å; W409-F413 AromaticContact CE3-CZ 3.24Å; W409-F413 HydrophobicContact CE3-CZ 3.24Å; W409-F413 HydrophobicContact CG-CE2 4.26Å; W409-F413 HydrophobicContact CZ3-CE1 4.18Å; W409-F413 HydrophobicContact CZ3-CE2 4.47Å; W409-F413 AromaticContact CZ3-CZ 3.7Å; W409-F413 HydrophobicContact CZ3-CZ 3.7Å; W409-F413 WeakPolarHBondContact O-CB 2.88Å; W409-F413 WeakPolarHBondContact O-CD2 3.38Å; W409-F413 VanDerWaalsContact O-CG 3.26Å; W409-F413 WeakPolarHBondContact O-CG 3.19Å; W409-F413 PolarHBondContact O-N 3.13Å; W409-L425 HydrophobicContact CH2-CD1 4.04Å; W409-L425 HydrophobicContact CZ3-CD1 4.23Å; W409-I445 HydrophobicContact CE3-CD1 4.48Å; W409-I445 HydrophobicContact CH2-CD1 3.27Å; W409-I445 HydrophobicContact CH2-CG1 4.02Å; W409-I445 HydrophobicContact CZ2-CD1 3.96Å; W409-I445 HydrophobicContact CZ2-CG1 4.24Å; W409-I445 HydrophobicContact CZ3-CD1 3.58Å; W409-I445 HydrophobicContact CZ3-CG1 4.36Å
410	H	55.2	Low	53.4	Low	113 Å²	113	64.5 Å²	64.5	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-45.2	176.9	-163	70.5	0	0	0	112.2	S406 R407 I408 F413 N414	S406-H410 WeakPolarHBondContact O-CB 3.43Å; S406-H410 PolarHBondContact O-N 3.1Å; R407-H410 WeakPolarHBondContact O-CB 3.37Å; R407-H410 PolarHBondContact O-N 3.07Å; R407-H410 VanDerWaalsContact O-N 3.15Å; I408-H410 VanDerWaalsContact C-N 3.34Å; H410-F413 PolarHBondContact O-N 3.36Å; H410-N414 VanDerWaalsContact O-CG 3.26Å; H410-N414 PolarHBondContact O-N 2.91Å; H410-N414 PolarHBondContact O-ND2 3.44Å
411	E	53.8	Low	53.8	Low	104 Å²	104	61.1 Å²	61.1	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-40.3	175.8	-70.9	-63.7	159.7	0	0	112.6	R407 I408 W409 F413 N414 C415 M424	R407-E411 PolarHBondContact O-N 2.85Å; I408-E411 PolarHBondContact O-N 2.98Å; W409-E411 VanDerWaalsContact C-N 3.33Å; W409-E411 PolarHBondContact O-N 3.13Å; E411-F413 VanDerWaalsContact C-N 3.27Å; E411-F413 PolarHBondContact O-N 2.83Å; E411-N414 CarbonylContact O-C 3.59Å; E411-N414 PolarHBondContact O-N 3.31Å; E411-N414 VanDerWaalsContact O-N 3.09Å; E411-C415 PolarHBondContact O-N 3.36Å; E411-M424 HydrophobicContact CB-CE 3.54Å
412	L	54.7	Low	54.3	Low	6 Å²	6	60.9 Å²	60.9	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-34.5	175.8	-169.5	143.4	0	0	0	111.6	I408 W409 C415 M424 L425	I408-L412 VanDerWaalsContact O-CB 3.23Å; I408-L412 WeakPolarHBondContact O-CB 3.22Å; I408-L412 PolarHBondContact O-N 3.02Å; W409-L412 HydrophobicContact CE3-CD2 4.09Å; W409-L412 HydrophobicContact CZ3-CD2 3.96Å; W409-L412 PolarHBondContact O-N 3.49Å; L412-C415 WeakPolarHBondContact O-CB 3.44Å; L412-C415 PolarHBondContact O-N 3.4Å; L412-M424 HydrophobicContact CB-CE 4.47Å; L412-M424 HydrophobicContact CD1-CB 3.87Å; L412-L425 HydrophobicContact CD1-CB 3.92Å; L412-L425 HydrophobicContact CD1-CD1 3.82Å; L412-L425 HydrophobicContact CD1-CG 4.5Å; L412-L425 HydrophobicContact CD2-CD1 4.4Å
413	F	55.6	Low	54.5	Low	24 Å²	24	57.2 Å²	57.2	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-76.6	-21.6	174.1	-66.2	-49.7	0	0	0	113.7	W409 H410 E411 I445 F447 L450 A458	W409-F413 HydrophobicContact CB-CD2 4.24Å; W409-F413 HydrophobicContact CB-CE2 3.81Å; W409-F413 HydrophobicContact CD2-CE2 4.13Å; W409-F413 HydrophobicContact CD2-CZ 4.12Å; W409-F413 HydrophobicContact CE3-CD2 4.5Å; W409-F413 AromaticContact CE3-CE1 3.99Å; W409-F413 HydrophobicContact CE3-CE1 3.99Å; W409-F413 AromaticContact CE3-CE2 3.58Å; W409-F413 HydrophobicContact CE3-CE2 3.58Å; W409-F413 AromaticContact CE3-CZ 3.24Å; W409-F413 HydrophobicContact CE3-CZ 3.24Å; W409-F413 HydrophobicContact CG-CE2 4.26Å; W409-F413 HydrophobicContact CZ3-CE1 4.18Å; W409-F413 HydrophobicContact CZ3-CE2 4.47Å; W409-F413 AromaticContact CZ3-CZ 3.7Å; W409-F413 HydrophobicContact CZ3-CZ 3.7Å; W409-F413 WeakPolarHBondContact O-CB 2.88Å; W409-F413 WeakPolarHBondContact O-CD2 3.38Å; W409-F413 VanDerWaalsContact O-CG 3.26Å; W409-F413 WeakPolarHBondContact O-CG 3.19Å; W409-F413 PolarHBondContact O-N 3.13Å; H410-F413 PolarHBondContact O-N 3.36Å; E411-F413 VanDerWaalsContact C-N 3.27Å; E411-F413 PolarHBondContact O-N 2.83Å; F413-I445 HydrophobicContact CE1-CG2 4.09Å; F413-I445 HydrophobicContact CE2-CG2 4.16Å; F413-I445 HydrophobicContact CZ-CG2 3.36Å; F413-F447 HydrophobicContact CE1-CD1 4.49Å; F413-F447 AromaticContact CE1-CE1 3.76Å; F413-F447 HydrophobicContact CE1-CE1 3.76Å; F413-F447 HydrophobicContact CE1-CZ 4.38Å; F413-F447 HydrophobicContact CZ-CE1 4.4Å; F413-L450 HydrophobicContact CB-CD1 3.93Å; F413-L450 HydrophobicContact CB-CD2 4.19Å; F413-L450 HydrophobicContact CD1-CD1 3.59Å; F413-L450 HydrophobicContact CD2-CD1 3.97Å; F413-L450 HydrophobicContact CE1-CD1 4.14Å; F413-L450 HydrophobicContact CE2-CD1 4.46Å; F413-L450 HydrophobicContact CG-CD1 3.55Å; F413-A458 HydrophobicContact CD1-CB 3.92Å; F413-A458 HydrophobicContact CE1-CB 4.03Å
414	N	58.1	Low	54.7	Low	71 Å²	71	52 Å²	52	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-88.4	-10.1	172.8	-68.8	-19.6	0	0	0	112.9	H410 E411	H410-N414 VanDerWaalsContact O-CG 3.26Å; H410-N414 PolarHBondContact O-N 2.91Å; H410-N414 PolarHBondContact O-ND2 3.44Å; E411-N414 CarbonylContact O-C 3.59Å; E411-N414 PolarHBondContact O-N 3.31Å; E411-N414 VanDerWaalsContact O-N 3.09Å
415	C	55.3	Low	55.2	Low	15 Å²	15	52 Å²	52	10%	0.101	27%	0.271	C	S	.	.			trans	-71.9	128.8	-176.6	-173.8	0	0	0	0	112.1	E411 L412 D417 A421	E411-C415 PolarHBondContact O-N 3.36Å; L412-C415 WeakPolarHBondContact O-CB 3.44Å; L412-C415 PolarHBondContact O-N 3.4Å; C415-D417 PolarHBondContact SG-O 2.94Å; C415-A421 HydrophobicContact CB-CB 4.26Å; C415-A421 PolarHBondContact SG-N 3.06Å
416	T	56.9	Low	55.7	Low	110 Å²	110	53.4 Å²	53.4	68%	0.675	28%	0.281	S	S	*	.			trans	-94.2	-22.5	179.4	52.6	0	0	0	0	113.5
417	D	56.8	Low	55.9	Low	64 Å²	64	51.1 Å²	51.1	34%	0.342	26%	0.264	S	S	.	.			trans	-91	119.5	177.4	176.8	16.2	0	0	0	111.6	C415 N419 E420 A421	C415-D417 PolarHBondContact SG-O 2.94Å; D417-N419 PolarHBondContact O-N 3.17Å; D417-N419 PolarHBondContact OD1-N 2.98Å; D417-E420 HydrophobicContact CB-CB 3.76Å; D417-E420 PolarHBondContact O-N 3.21Å; D417-E420 PolarHBondContact OD2-N 3.44Å; D417-A421 PolarHBondContact O-N 3.34Å
418	P	54.1	Low	56.3	Low	51 Å²	51	44.8 Å²	44.8	33%	0.331	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-30.8	176.2	-22.6	32	0	0	0	114.6	H422	P418-H422 WeakPolarHBondContact O-CB 3.48Å; P418-H422 PolarHBondContact O-N 2.91Å; P418-H422 VanDerWaalsContact O-N 3.08Å
419	N	55.7	Low	56.8	Low	83 Å²	83	44.9 Å²	44.9	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-73.8	-40.3	179.2	-63.1	-46.4	0	0	0	111.7	D417 H422 T423 K464	D417-N419 PolarHBondContact O-N 3.17Å; D417-N419 PolarHBondContact OD1-N 2.98Å; N419-H422 PolarHBondContact O-N 3.48Å; N419-T423 PolarHBondContact O-N 3.14Å; N419-T423 PolarHBondContact O-OG1 3.17Å; N419-K464 PolarHBondContact OD1-NZ 3.39Å
420	E	53.6	Low	57	Low	67 Å²	67	52.4 Å²	52.4	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-47.9	175.8	-170.9	171	-148.6	0	0	110.8	P386 D417 H422 T423 M424	P386-E420 WeakPolarHBondContact CD-OE1 3.32Å; P386-E420 HydrophobicContact CG-CG 3.4Å; P386-E420 VanDerWaalsContact CG-CG 3.4Å; P386-E420 WeakPolarHBondContact CG-OE1 3.49Å; D417-E420 HydrophobicContact CB-CB 3.76Å; D417-E420 PolarHBondContact O-N 3.21Å; D417-E420 PolarHBondContact OD2-N 3.44Å; E420-H422 VanDerWaalsContact C-N 3.3Å; E420-H422 PolarHBondContact O-N 2.94Å; E420-T423 PolarHBondContact O-N 2.03Å; E420-T423 VanDerWaalsContact O-N 3.12Å; E420-M424 HydrophobicContact CG-SD 4.46Å; E420-M424 WeakPolarHBondContact O-CG 3.4Å; E420-M424 PolarHBondContact O-N 3.12Å
421	A	57.3	Low	57.2	Low	2 Å²	2	48.2 Å²	48.2	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-40.1	173.9	0	0	0	0	0	112.4	C415 D417 M424 L425 A461	C415-A421 HydrophobicContact CB-CB 4.26Å; C415-A421 PolarHBondContact SG-N 3.06Å; D417-A421 PolarHBondContact O-N 3.34Å; A421-M424 PolarHBondContact O-N 2.77Å; A421-L425 WeakPolarHBondContact O-CB 2.97Å; A421-L425 PolarHBondContact O-N 2.96Å; A421-A461 HydrophobicContact CB-CB 3.49Å; A421-A461 VanDerWaalsContact CB-CB 3.49Å
422	H	57.5	Low	57.5	Low	26 Å²	26	44 Å²	44	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175	173.5	93.9	0	0	0	112.5	P418 N419 E420 L425 S426 Y465 D468	P418-H422 WeakPolarHBondContact O-CB 3.48Å; P418-H422 PolarHBondContact O-N 2.91Å; P418-H422 VanDerWaalsContact O-N 3.08Å; N419-H422 PolarHBondContact O-N 3.48Å; E420-H422 VanDerWaalsContact C-N 3.3Å; E420-H422 PolarHBondContact O-N 2.94Å; H422-L425 PolarHBondContact O-N 3.22Å; H422-S426 WeakPolarHBondContact O-CB 3.42Å; H422-S426 PolarHBondContact O-N 2.86Å; H422-S426 PolarHBondContact O-OG 2.93Å; H422-Y465 WeakPolarHBondContact ND1-CA 3.42Å; H422-Y465 PolarHBondContact ND1-N 3.37Å; H422-D468 IonicContact CE1-OD2 3.52Å; H422-D468 PolarHBondContact CE1-OD2 3.05Å; H422-D468 IonicContact ND1-OD2 2.95Å; H422-D468 IonicContact NE2-OD2 2.67Å
423	T	56.1	Low	57.8	Low	71 Å²	71	48 Å²	48	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-40	179.8	-51.2	0	0	0	0	111.5	N419 E420 S426 T427	N419-T423 PolarHBondContact O-N 3.14Å; N419-T423 PolarHBondContact O-OG1 3.17Å; E420-T423 PolarHBondContact O-N 2.03Å; E420-T423 VanDerWaalsContact O-N 3.12Å; T423-S426 PolarHBondContact O-OG 3.08Å; T423-T427 PolarHBondContact O-N 3.15Å; T423-T427 PolarHBondContact O-OG1 2.98Å
424	M	54.9	Low	57.8	Low	8 Å²	8	54.5 Å²	54.5	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-45.7	173.3	-66.4	169.7	82.9	0	0	110.7	P386 T389 E411 L412 E420 A421 T427 V428	P386-M424 HydrophobicContact CB-CG 3.95Å; P386-M424 HydrophobicContact CB-SD 4.45Å; P386-M424 HydrophobicContact CG-CG 4.38Å; P386-M424 HydrophobicContact CG-SD 4.43Å; T389-M424 HydrophobicContact CG2-CE 3.7Å; T389-M424 HydrophobicContact CG2-CG 4.49Å; E411-M424 HydrophobicContact CB-CE 3.54Å; L412-M424 HydrophobicContact CB-CE 4.47Å; L412-M424 HydrophobicContact CD1-CB 3.87Å; E420-M424 HydrophobicContact CG-SD 4.46Å; E420-M424 WeakPolarHBondContact O-CG 3.4Å; E420-M424 PolarHBondContact O-N 3.12Å; A421-M424 PolarHBondContact O-N 2.77Å; M424-T427 PolarHBondContact O-N 2.89Å; M424-V428 WeakPolarHBondContact O-CG2 3.35Å; M424-V428 PolarHBondContact O-N 2.95Å
425	L	60.6	Low	57.8	Low	5 Å²	5	55.2 Å²	55.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-44.8	179.1	-161.2	91.4	0	0	0	112.6	W409 L412 A421 H422 T427 V428 I429 Y462 Y465	W409-L425 HydrophobicContact CH2-CD1 4.04Å; W409-L425 HydrophobicContact CZ3-CD1 4.23Å; L412-L425 HydrophobicContact CD1-CB 3.92Å; L412-L425 HydrophobicContact CD1-CD1 3.82Å; L412-L425 HydrophobicContact CD1-CG 4.5Å; L412-L425 HydrophobicContact CD2-CD1 4.4Å; A421-L425 WeakPolarHBondContact O-CB 2.97Å; A421-L425 PolarHBondContact O-N 2.96Å; H422-L425 PolarHBondContact O-N 3.22Å; L425-T427 VanDerWaalsContact C-N 3.28Å; L425-T427 PolarHBondContact O-N 3.2Å; L425-V428 PolarHBondContact O-N 2.99Å; L425-I429 HydrophobicContact CD2-CD1 3.85Å; L425-I429 HydrophobicContact CG-CD1 3.85Å; L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.42Å; L425-I429 PolarHBondContact O-N 2.81Å; L425-Y462 HydrophobicContact CD2-CD2 4.09Å; L425-Y465 VanDerWaalsContact CD2-CB 3.43Å; L425-Y465 HydrophobicContact CD2-CD1 3.84Å; L425-Y465 HydrophobicContact CD2-CD2 4.11Å; L425-Y465 HydrophobicContact CD2-CG 3.51Å
426	S	60	Low	58.3	Low	40 Å²	40	61.9 Å²	61.9	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-36.5	-179.4	68.2	0	0	0	0	111.8	H422 T423 R430	H422-S426 WeakPolarHBondContact O-CB 3.42Å; H422-S426 PolarHBondContact O-N 2.86Å; H422-S426 PolarHBondContact O-OG 2.93Å; T423-S426 PolarHBondContact O-OG 3.08Å; S426-R430 VanDerWaalsContact O-CB 3.31Å; S426-R430 WeakPolarHBondContact O-CB 3.49Å; S426-R430 PolarHBondContact O-N 3.24Å
427	T	57.1	Low	58.5	Low	32 Å²	32	60 Å²	60	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-45.7	173.8	-49	0	0	0	0	111	V390 M393 T423 M424 L425 I429 R430 A431	V390-T427 HydrophobicContact CG1-CG2 4.28Å; V390-T427 HydrophobicContact CG2-CG2 4.11Å; M393-T427 HydrophobicContact SD-CG2 3.67Å; T423-T427 PolarHBondContact O-N 3.15Å; T423-T427 PolarHBondContact O-OG1 2.98Å; M424-T427 PolarHBondContact O-N 2.89Å; L425-T427 VanDerWaalsContact C-N 3.28Å; L425-T427 PolarHBondContact O-N 3.2Å; T427-I429 VanDerWaalsContact C-N 3.34Å; T427-I429 PolarHBondContact O-N 2.86Å; T427-R430 PolarHBondContact O-N 2.72Å; T427-A431 PolarHBondContact O-N 2.87Å
428	V	60.7	Low	58.5	Low	4 Å²	4	64.3 Å²	64.3	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-53.5	175.2	172.5	0	0	0	0	110.5	M393 I408 M424 L425 R430 A431 Y432	M393-V428 HydrophobicContact CE-CB 4.31Å; M393-V428 HydrophobicContact CE-CG2 4.13Å; M393-V428 HydrophobicContact SD-CB 4.48Å; M393-V428 HydrophobicContact SD-CG2 4Å; I408-V428 HydrophobicContact CB-CG2 4.3Å; I408-V428 HydrophobicContact CD1-CG2 4.46Å; I408-V428 HydrophobicContact CG2-CG2 3.34Å; M424-V428 WeakPolarHBondContact O-CG2 3.35Å; M424-V428 PolarHBondContact O-N 2.95Å; L425-V428 PolarHBondContact O-N 2.99Å; V428-R430 VanDerWaalsContact C-N 3.33Å; V428-R430 PolarHBondContact O-N 2.77Å; V428-A431 WeakPolarHBondContact O-CB 3.35Å; V428-A431 PolarHBondContact O-N 2.87Å; V428-A431 VanDerWaalsContact O-N 3.11Å; V428-Y432 HydrophobicContact CG1-CD2 3.78Å; V428-Y432 HydrophobicContact CG1-CE2 3.72Å; V428-Y432 WeakPolarHBondContact O-CD2 3.34Å; V428-Y432 PolarHBondContact O-N 2.84Å
429	I	62.5	Low	58.8	Low	8 Å²	8	64.8 Å²	64.8	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-36.9	-176.5	-65.9	169.9	0	0	0	111.6	L425 T427 A431 Y432 K433 I439 Y465	L425-I429 HydrophobicContact CD2-CD1 3.85Å; L425-I429 HydrophobicContact CG-CD1 3.85Å; L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.42Å; L425-I429 PolarHBondContact O-N 2.81Å; T427-I429 VanDerWaalsContact C-N 3.34Å; T427-I429 PolarHBondContact O-N 2.86Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 2.87Å; I429-Y432 PolarHBondContact O-N 3.16Å; I429-K433 HydrophobicContact CG2-CD 4.3Å; I429-K433 HydrophobicContact CG2-CG 4.38Å; I429-K433 WeakPolarHBondContact O-CB 3.36Å; I429-K433 WeakPolarHBondContact O-CG 3.39Å; I429-K433 PolarHBondContact O-N 3.48Å; I429-I439 HydrophobicContact CD1-CG2 4.37Å; I429-I439 HydrophobicContact CG1-CG2 3.99Å; I429-I439 HydrophobicContact CG2-CD1 3.53Å; I429-I439 HydrophobicContact CG2-CG1 4.01Å; I429-I439 HydrophobicContact CG2-CG2 4.46Å; I429-Y465 HydrophobicContact CD1-CD1 3.71Å; I429-Y465 HydrophobicContact CD1-CD2 4.26Å; I429-Y465 HydrophobicContact CD1-CE1 3.23Å; I429-Y465 HydrophobicContact CD1-CE2 3.82Å; I429-Y465 HydrophobicContact CD1-CG 4.21Å; I429-Y465 WeakPolarHBondContact CG2-OH 3.1Å
430	R	61.1	Low	58.6	Low	197 Å²	197	62 Å²	62	74%	0.743	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-37.2	174.8	-168.3	175.2	-174.4	126.2	-1.2	111.7	S426 T427 V428 K434	S426-R430 VanDerWaalsContact O-CB 3.31Å; S426-R430 WeakPolarHBondContact O-CB 3.49Å; S426-R430 PolarHBondContact O-N 3.24Å; T427-R430 PolarHBondContact O-N 2.72Å; V428-R430 VanDerWaalsContact C-N 3.33Å; V428-R430 PolarHBondContact O-N 2.77Å; R430-K434 WeakPolarHBondContact O-CB 2.99Å; R430-K434 PolarHBondContact O-N 2.84Å
431	A	58	Low	58.5	Low	24 Å²	24	62 Å²	62	20%	0.198	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-45.4	174.4	0	0	0	0	0	111.8	M393 T427 V428 I429 K433 K434 H435	M393-A431 HydrophobicContact CE-CB 3.3Å; M393-A431 HydrophobicContact SD-CB 4.33Å; T427-A431 PolarHBondContact O-N 2.87Å; V428-A431 WeakPolarHBondContact O-CB 3.35Å; V428-A431 PolarHBondContact O-N 2.87Å; V428-A431 VanDerWaalsContact O-N 3.11Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 2.87Å; A431-K433 VanDerWaalsContact C-N 3.34Å; A431-K433 PolarHBondContact O-N 3.08Å; A431-K434 PolarHBondContact O-N 3.42Å; A431-H435 PolarHBondContact O-CD2 2.95Å; A431-H435 PolarHBondContact O-N 3.16Å; A431-H435 VanDerWaalsContact O-N 3.07Å
432	Y	61.1	Low	58	Low	17 Å²	17	64 Å²	64	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-55	-49.4	174.2	-89.9	-94.1	0	0	0	111.4	I405 V428 I429 K434 H435 N436 L437 D438 P440	I405-Y432 HydrophobicContact CD1-CD2 4.4Å; I405-Y432 HydrophobicContact CD1-CE2 3.51Å; I405-Y432 HydrophobicContact CG1-CE2 4.22Å; I405-Y432 HydrophobicContact CG2-CE2 4.34Å; V428-Y432 HydrophobicContact CG1-CD2 3.78Å; V428-Y432 HydrophobicContact CG1-CE2 3.72Å; V428-Y432 WeakPolarHBondContact O-CD2 3.34Å; V428-Y432 PolarHBondContact O-N 2.84Å; I429-Y432 PolarHBondContact O-N 3.16Å; Y432-K434 PolarHBondContact O-N 3.17Å; Y432-H435 CarbonylContact O-C 3.46Å; Y432-H435 PolarHBondContact O-N 3.24Å; Y432-N436 PolarHBondContact O-N 3.46Å; Y432-N436 VanDerWaalsContact O-N 3.14Å; Y432-L437 HydrophobicContact CD1-CB 3.42Å; Y432-L437 VanDerWaalsContact CD1-CB 3.42Å; Y432-L437 HydrophobicContact CD1-CD1 4.36Å; Y432-L437 HydrophobicContact CE1-CB 4.03Å; Y432-L437 HydrophobicContact CG-CB 4.24Å; Y432-L437 PolarHBondContact O-N 3.23Å; Y432-D438 WeakPolarHBondContact CD1-O 3.28Å; Y432-D438 WeakPolarHBondContact CE1-O 3.07Å; Y432-P440 HydrophobicContact CE1-CG 4.03Å; Y432-P440 HydrophobicContact CE2-CG 4.36Å; Y432-P440 WeakPolarHBondContact OH-CG 3.36Å
433	K	60.4	Low	57.6	Low	88 Å²	88	71.5 Å²	71.5	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-43.7	177	-74	-175.8	177.8	-175.4	0	113	I429 A431 H435 N436 I439 F469	I429-K433 HydrophobicContact CG2-CD 4.3Å; I429-K433 HydrophobicContact CG2-CG 4.38Å; I429-K433 WeakPolarHBondContact O-CB 3.36Å; I429-K433 WeakPolarHBondContact O-CG 3.39Å; I429-K433 PolarHBondContact O-N 3.48Å; A431-K433 VanDerWaalsContact C-N 3.34Å; A431-K433 PolarHBondContact O-N 3.08Å; K433-H435 PolarHBondContact O-N 2.97Å; K433-N436 PolarHBondContact O-N 2.77Å; K433-I439 HydrophobicContact CG-CD1 4.1Å; K433-F469 VanDerWaalsContact NZ-CE1 3.34Å
434	K	56.1	Low	57.4	Low	161 Å²	161	73.3 Å²	73.3	70%	0.7	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-31.9	178.1	-174.8	-178.9	178.2	-173.5	0	112	R430 A431 Y432	R430-K434 WeakPolarHBondContact O-CB 2.99Å; R430-K434 PolarHBondContact O-N 2.84Å; A431-K434 PolarHBondContact O-N 3.42Å; Y432-K434 PolarHBondContact O-N 3.17Å
435	H	58.9	Low	57.2	Low	87 Å²	87	73.6 Å²	73.6	40%	0.403	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	8.3	-179.3	-71.1	-71.7	0	0	0	114.1	A431 Y432 K433 L437	A431-H435 PolarHBondContact O-CD2 2.95Å; A431-H435 PolarHBondContact O-N 3.16Å; A431-H435 VanDerWaalsContact O-N 3.07Å; Y432-H435 CarbonylContact O-C 3.46Å; Y432-H435 PolarHBondContact O-N 3.24Å; K433-H435 PolarHBondContact O-N 2.97Å; H435-L437 HydrophobicContact CB-CD1 4.05Å; H435-L437 HydrophobicContact CB-CG 4.03Å; H435-L437 PolarHBondContact O-N 2.91Å
436	N	64.4	Low	56.4	Low	154 Å²	154	78.1 Å²	78.1	82%	0.824	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	33	-173.5	-74.8	-8.6	0	0	0	113.4	Y432 K433	Y432-N436 PolarHBondContact O-N 3.46Å; Y432-N436 VanDerWaalsContact O-N 3.14Å; K433-N436 PolarHBondContact O-N 2.77Å
437	L	60.9	Low	55.7	Low	72 Å²	72	77.8 Å²	77.8	38%	0.377	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-89.6	141.5	173.5	-65.7	171.8	0	0	0	109.5	V401 Y432 H435 I439	V401-L437 HydrophobicContact CG1-CD1 4.06Å; Y432-L437 HydrophobicContact CD1-CB 3.42Å; Y432-L437 VanDerWaalsContact CD1-CB 3.42Å; Y432-L437 HydrophobicContact CD1-CD1 4.36Å; Y432-L437 HydrophobicContact CE1-CB 4.03Å; Y432-L437 HydrophobicContact CG-CB 4.24Å; Y432-L437 PolarHBondContact O-N 3.23Å; H435-L437 HydrophobicContact CB-CD1 4.05Å; H435-L437 HydrophobicContact CB-CG 4.03Å; H435-L437 PolarHBondContact O-N 2.91Å; L437-I439 PolarHBondContact O-N 3.14Å
438	D	58.6	Low	55.4	Low	153 Å²	153	82 Å²	82	82%	0.818	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.6	127.9	174.2	-73	-38.1	0	0	0	110.4	Y432	Y432-D438 WeakPolarHBondContact CD1-O 3.28Å; Y432-D438 WeakPolarHBondContact CE1-O 3.07Å
439	I	58.7	Low	54.8	Low	62 Å²	62	92.9 Å²	92.9	32%	0.318	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-69.4	125.2	178.2	-60.6	161.3	0	0	0	107.5	I429 K433 L437 T441	I429-I439 HydrophobicContact CD1-CG2 4.37Å; I429-I439 HydrophobicContact CG1-CG2 3.99Å; I429-I439 HydrophobicContact CG2-CD1 3.53Å; I429-I439 HydrophobicContact CG2-CG1 4.01Å; I429-I439 HydrophobicContact CG2-CG2 4.46Å; K433-I439 HydrophobicContact CG-CD1 4.1Å; L437-I439 PolarHBondContact O-N 3.14Å; I439-T441 PolarHBondContact O-N 2.66Å
440	P	52.5	Low	54	Low	25 Å²	25	94 Å²	94	16%	0.162	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.5	127.8	176.5	-17.8	28.4	0	0	0	109.8	Y432 D444	Y432-P440 HydrophobicContact CE1-CG 4.03Å; Y432-P440 HydrophobicContact CE2-CG 4.36Å; Y432-P440 WeakPolarHBondContact OH-CG 3.36Å; P440-D444 HydrophobicContact CB-CB 4.19Å
441	T	50.2	Low	53.6	Low	65 Å²	65	87.6 Å²	87.6	40%	0.399	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-75.9	162.5	171.9	67.6	0	0	0	0	110	I439 E443 D444	I439-T441 PolarHBondContact O-N 2.66Å; T441-E443 PolarHBondContact O-N 3.01Å; T441-D444 WeakPolarHBondContact CB-OD2 3.27Å; T441-D444 PolarHBondContact N-OD2 2.95Å; T441-D444 WeakPolarHBondContact O-CB 3.25Å; T441-D444 PolarHBondContact O-N 2.69Å; T441-D444 VanDerWaalsContact OG1-CG 3.32Å; T441-D444 PolarHBondContact OG1-OD2 3.47Å
442	V	47.9	Very low	53.5	Low	45 Å²	45	91.9 Å²	91.9	27%	0.273	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.9	176.6	-178.2	0	0	0	0	111.7	F447 Y462	V442-F447 HydrophobicContact CB-CE2 4.46Å; V442-F447 HydrophobicContact CG1-CD2 4.35Å; V442-F447 HydrophobicContact CG1-CE2 3.5Å; V442-F447 VanDerWaalsContact CG1-CE2 3.5Å; V442-F447 HydrophobicContact CG1-CZ 4.17Å; V442-F447 VanDerWaalsContact O-CE2 3.22Å; V442-F447 WeakPolarHBondContact O-CE2 3.4Å; V442-Y462 HydrophobicContact CG2-CD1 3.46Å; V442-Y462 VanDerWaalsContact CG2-CD1 3.46Å; V442-Y462 HydrophobicContact CG2-CD2 4.04Å; V442-Y462 HydrophobicContact CG2-CE1 3.17Å; V442-Y462 HydrophobicContact CG2-CE2 3.78Å; V442-Y462 HydrophobicContact CG2-CG 3.89Å
443	E	49.6	Very low	53.2	Low	184 Å²	184	97.6 Å²	97.6	86%	0.86	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-27.1	178.4	-62.7	-179.6	-175.3	0	0	112.5	T441 I445	T441-E443 PolarHBondContact O-N 3.01Å; E443-I445 PolarHBondContact O-N 2.76Å
444	D	51.8	Low	52.7	Low	108 Å²	108	98.6 Å²	98.6	58%	0.578	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.3	177.7	-57.8	-49.1	0	0	0	112.9	P440 T441	P440-D444 HydrophobicContact CB-CB 4.19Å; T441-D444 WeakPolarHBondContact CB-OD2 3.27Å; T441-D444 PolarHBondContact N-OD2 2.95Å; T441-D444 WeakPolarHBondContact O-CB 3.25Å; T441-D444 PolarHBondContact O-N 2.69Å; T441-D444 VanDerWaalsContact OG1-CG 3.32Å; T441-D444 PolarHBondContact OG1-OD2 3.47Å
445	I	49.3	Very low	52.5	Low	15 Å²	15	94.8 Å²	94.8	8%	0.077	48%	0.482	C	S	.	.	S	Bend	trans	-89.1	119.1	-179.3	-60.4	168.7	0	0	0	108.6	W409 F413 E443 F447	W409-I445 HydrophobicContact CE3-CD1 4.48Å; W409-I445 HydrophobicContact CH2-CD1 3.27Å; W409-I445 HydrophobicContact CH2-CG1 4.02Å; W409-I445 HydrophobicContact CZ2-CD1 3.96Å; W409-I445 HydrophobicContact CZ2-CG1 4.24Å; W409-I445 HydrophobicContact CZ3-CD1 3.58Å; W409-I445 HydrophobicContact CZ3-CG1 4.36Å; F413-I445 HydrophobicContact CE1-CG2 4.09Å; F413-I445 HydrophobicContact CE2-CG2 4.16Å; F413-I445 HydrophobicContact CZ-CG2 3.36Å; E443-I445 PolarHBondContact O-N 2.76Å; I445-F447 HydrophobicContact CB-CD2 3.95Å; I445-F447 HydrophobicContact CB-CE2 3.54Å; I445-F447 HydrophobicContact CB-CZ 3.95Å; I445-F447 HydrophobicContact CD1-CE2 4.05Å; I445-F447 HydrophobicContact CD1-CZ 3.9Å; I445-F447 HydrophobicContact CG1-CE2 4.39Å; I445-F447 HydrophobicContact CG2-CD1 4.11Å; I445-F447 HydrophobicContact CG2-CD2 3.87Å; I445-F447 HydrophobicContact CG2-CE1 3.85Å; I445-F447 HydrophobicContact CG2-CE2 3.58Å; I445-F447 HydrophobicContact CG2-CG 4.13Å; I445-F447 HydrophobicContact CG2-CZ 3.58Å; I445-F447 VanDerWaalsContact O-CD2 3.27Å; I445-F447 WeakPolarHBondContact O-CD2 3.45Å; I445-F447 PolarHBondContact O-N 3.49Å
446	P	44.3	Very low	52.5	Low	100 Å²	100	95.3 Å²	95.3	65%	0.649	49%	0.488	S	S	*	.			trans	-75.4	76.6	-178.9	31.3	-33.4	0	0	0	110.4	T448	P446-T448 PolarHBondContact O-N 3.12Å
447	F	46.3	Very low	52.1	Low	33 Å²	33	90.1 Å²	90.1	15%	0.145	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-64.5	-8.3	178.5	-75.4	-70.1	0	0	0	113.6	F413 V442 I445 R449 L450 R455 A458	F413-F447 HydrophobicContact CE1-CD1 4.49Å; F413-F447 AromaticContact CE1-CE1 3.76Å; F413-F447 HydrophobicContact CE1-CE1 3.76Å; F413-F447 HydrophobicContact CE1-CZ 4.38Å; F413-F447 HydrophobicContact CZ-CE1 4.4Å; V442-F447 HydrophobicContact CB-CE2 4.46Å; V442-F447 HydrophobicContact CG1-CD2 4.35Å; V442-F447 HydrophobicContact CG1-CE2 3.5Å; V442-F447 VanDerWaalsContact CG1-CE2 3.5Å; V442-F447 HydrophobicContact CG1-CZ 4.17Å; V442-F447 VanDerWaalsContact O-CE2 3.22Å; V442-F447 WeakPolarHBondContact O-CE2 3.4Å; I445-F447 HydrophobicContact CB-CD2 3.95Å; I445-F447 HydrophobicContact CB-CE2 3.54Å; I445-F447 HydrophobicContact CB-CZ 3.95Å; I445-F447 HydrophobicContact CD1-CE2 4.05Å; I445-F447 HydrophobicContact CD1-CZ 3.9Å; I445-F447 HydrophobicContact CG1-CE2 4.39Å; I445-F447 HydrophobicContact CG2-CD1 4.11Å; I445-F447 HydrophobicContact CG2-CD2 3.87Å; I445-F447 HydrophobicContact CG2-CE1 3.85Å; I445-F447 HydrophobicContact CG2-CE2 3.58Å; I445-F447 HydrophobicContact CG2-CG 4.13Å; I445-F447 HydrophobicContact CG2-CZ 3.58Å; I445-F447 VanDerWaalsContact O-CD2 3.27Å; I445-F447 WeakPolarHBondContact O-CD2 3.45Å; I445-F447 PolarHBondContact O-N 3.49Å; F447-R449 PolarHBondContact O-N 3.49Å; F447-L450 PolarHBondContact O-N 3.12Å; F447-R455 HydrophobicContact CD1-CG 4.46Å; F447-R455 PolarHBondContact O-NE 2.86Å; F447-R455 PolarHBondContact O-NH2 3.44Å; F447-A458 HydrophobicContact CE1-CB 4.3Å
448	T	50.7	Low	51.6	Low	120 Å²	120	87.1 Å²	87.1	74%	0.736	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.5	-175	51.1	0	0	0	0	113.8	P446 R455	P446-T448 PolarHBondContact O-N 3.12Å; T448-R455 PolarHBondContact O-NH2 2.96Å
449	R	46.6	Very low	51.5	Low	232 Å²	232	84.9 Å²	84.9	88%	0.875	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-98.4	0.6	-177.8	-69.3	-171.8	-179.7	174	1.4	116.6	F447	F447-R449 PolarHBondContact O-N 3.49Å
450	L	46.9	Very low	51.4	Low	32 Å²	32	84.8 Å²	84.8	17%	0.168	43%	0.433	C	S	.	.	S	Bend	trans	-104	142	-176.4	-68.9	164	0	0	0	113.2	F413 F447 W454 R455	F413-L450 HydrophobicContact CB-CD1 3.93Å; F413-L450 HydrophobicContact CB-CD2 4.19Å; F413-L450 HydrophobicContact CD1-CD1 3.59Å; F413-L450 HydrophobicContact CD2-CD1 3.97Å; F413-L450 HydrophobicContact CE1-CD1 4.14Å; F413-L450 HydrophobicContact CE2-CD1 4.46Å; F413-L450 HydrophobicContact CG-CD1 3.55Å; F447-L450 PolarHBondContact O-N 3.12Å; L450-W454 HydrophobicContact CD2-CE3 4.16Å; L450-R455 HydrophobicContact CB-CG 4.21Å; L450-R455 VanDerWaalsContact O-CZ 3.28Å; L450-R455 PolarHBondContact O-NE 2.77Å; L450-R455 PolarHBondContact O-NH2 3.27Å
451	P	51.6	Low	51.4	Low	62 Å²	62	83.7 Å²	83.7	40%	0.403	43%	0.426	S	S	.	.			trans	-52.5	152.5	166.9	-28.5	35.1	0	0	0	114.6	E453 W454 R455	P451-E453 PolarHBondContact O-N 3.45Å; P451-W454 HydrophobicContact CB-CD2 4.08Å; P451-W454 HydrophobicContact CB-CE3 4.09Å; P451-W454 HydrophobicContact CB-CZ3 4.39Å; P451-W454 HydrophobicContact CG-CD2 4.08Å; P451-W454 HydrophobicContact CG-CE3 3.61Å; P451-W454 HydrophobicContact CG-CH2 3.88Å; P451-W454 HydrophobicContact CG-CZ2 4.34Å; P451-W454 HydrophobicContact CG-CZ3 3.5Å; P451-W454 VanDerWaalsContact CG-CZ3 3.5Å; P451-W454 PolarHBondContact O-N 3.39Å; P451-R455 PolarHBondContact O-N 3.26Å
452	T	57.3	Low	51.6	Low	114 Å²	114	83.5 Å²	83.5	70%	0.699	42%	0.418	S	S	*	.	H	α-helix	trans	-62	-38.9	-170.1	41	0	0	0	0	114.6	R455 N456	T452-R455 PolarHBondContact O-N 3.27Å; T452-N456 PolarHBondContact O-N 3.48Å
453	E	54	Low	52	Low	137 Å²	137	86.1 Å²	86.1	64%	0.64	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-42.7	179.5	-168.1	172.6	-169.2	0	0	111.6	P451 R455 N456 N457	P451-E453 PolarHBondContact O-N 3.45Å; E453-R455 PolarHBondContact O-N 2.93Å; E453-N456 PolarHBondContact O-N 3.48Å; E453-N457 PolarHBondContact O-N 3.03Å
454	W	51	Low	52.4	Low	109 Å²	109	80.9 Å²	80.9	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-71.3	-32.9	-177.9	-51.8	-17.4	0	0	0	112.1	L450 P451 N456 N457 A458	L450-W454 HydrophobicContact CD2-CE3 4.16Å; P451-W454 HydrophobicContact CB-CD2 4.08Å; P451-W454 HydrophobicContact CB-CE3 4.09Å; P451-W454 HydrophobicContact CB-CZ3 4.39Å; P451-W454 HydrophobicContact CG-CD2 4.08Å; P451-W454 HydrophobicContact CG-CE3 3.61Å; P451-W454 HydrophobicContact CG-CH2 3.88Å; P451-W454 HydrophobicContact CG-CZ2 4.34Å; P451-W454 HydrophobicContact CG-CZ3 3.5Å; P451-W454 VanDerWaalsContact CG-CZ3 3.5Å; P451-W454 PolarHBondContact O-N 3.39Å; W454-N456 VanDerWaalsContact C-N 3.29Å; W454-N456 PolarHBondContact O-N 2.87Å; W454-N457 PolarHBondContact O-N 3.13Å; W454-A458 PolarHBondContact O-N 3.03Å; W454-A458 VanDerWaalsContact O-N 3.1Å
455	R	51.6	Low	52.4	Low	82 Å²	82	77.1 Å²	77.1	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-37.1	171.4	-69.1	-175	-159.8	-171.3	1.8	112.3	F447 T448 L450 P451 T452 E453 K459	F447-R455 HydrophobicContact CD1-CG 4.46Å; F447-R455 PolarHBondContact O-NE 2.86Å; F447-R455 PolarHBondContact O-NH2 3.44Å; T448-R455 PolarHBondContact O-NH2 2.96Å; L450-R455 HydrophobicContact CB-CG 4.21Å; L450-R455 VanDerWaalsContact O-CZ 3.28Å; L450-R455 PolarHBondContact O-NE 2.77Å; L450-R455 PolarHBondContact O-NH2 3.27Å; P451-R455 PolarHBondContact O-N 3.26Å; T452-R455 PolarHBondContact O-N 3.27Å; E453-R455 PolarHBondContact O-N 2.93Å; R455-K459 WeakPolarHBondContact O-CB 3.47Å; R455-K459 VanDerWaalsContact O-CG 3.31Å; R455-K459 WeakPolarHBondContact O-CG 3.34Å; R455-K459 PolarHBondContact O-N 3.41Å
456	N	58.4	Low	52.6	Low	98 Å²	98	82.6 Å²	82.6	52%	0.524	41%	0.406	S	S	.	.	H	α-helix	trans	-70.6	-40.6	-178.6	-70.9	-17.6	0	0	0	111.5	T452 E453 W454 K459 S460	T452-N456 PolarHBondContact O-N 3.48Å; E453-N456 PolarHBondContact O-N 3.48Å; W454-N456 VanDerWaalsContact C-N 3.29Å; W454-N456 PolarHBondContact O-N 2.87Å; N456-K459 PolarHBondContact O-N 3.49Å; N456-S460 WeakPolarHBondContact O-CB 3.42Å; N456-S460 PolarHBondContact O-N 3.26Å; N456-S460 PolarHBondContact O-OG 3.23Å
457	N	55.3	Low	53	Low	45 Å²	45	82.7 Å²	82.7	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-64.9	-47.1	176.2	-73.6	-5.8	0	0	0	111.9	E453 W454 K459 S460 A461	E453-N457 PolarHBondContact O-N 3.03Å; W454-N457 PolarHBondContact O-N 3.13Å; N457-K459 PolarHBondContact O-N 2.95Å; N457-S460 PolarHBondContact O-N 2.71Å; N457-S460 VanDerWaalsContact O-N 3.15Å; N457-A461 WeakPolarHBondContact O-CB 3.37Å; N457-A461 PolarHBondContact O-N 3.22Å
458	A	50.2	Low	53.1	Low	8 Å²	8	84.6 Å²	84.6	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-60.5	-43.7	176.7	0	0	0	0	0	112.2	F413 F447 W454 S460 A461 Y462	F413-A458 HydrophobicContact CD1-CB 3.92Å; F413-A458 HydrophobicContact CE1-CB 4.03Å; F447-A458 HydrophobicContact CE1-CB 4.3Å; W454-A458 PolarHBondContact O-N 3.03Å; W454-A458 VanDerWaalsContact O-N 3.1Å; A458-S460 PolarHBondContact O-N 3.09Å; A458-A461 PolarHBondContact O-N 3.26Å; A458-Y462 WeakPolarHBondContact O-CB 3.42Å; A458-Y462 PolarHBondContact O-N 2.97Å
459	K	56.6	Low	52.8	Low	107 Å²	107	83.4 Å²	83.4	47%	0.465	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-42.7	173.5	-80.3	-178.7	177.6	-175.4	0	112.1	R455 N456 N457 Y462 L463	R455-K459 WeakPolarHBondContact O-CB 3.47Å; R455-K459 VanDerWaalsContact O-CG 3.31Å; R455-K459 WeakPolarHBondContact O-CG 3.34Å; R455-K459 PolarHBondContact O-N 3.41Å; N456-K459 PolarHBondContact O-N 3.49Å; N457-K459 PolarHBondContact O-N 2.95Å; K459-Y462 PolarHBondContact O-N 2.98Å; K459-L463 WeakPolarHBondContact O-CB 3.45Å; K459-L463 VanDerWaalsContact O-CG 3.24Å; K459-L463 WeakPolarHBondContact O-CG 3.49Å; K459-L463 PolarHBondContact O-N 2.98Å
460	S	57.4	Low	52.3	Low	60 Å²	60	74.6 Å²	74.6	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-41.7	-178.9	-59.3	0	0	0	0	111.6	N456 N457 A458 L463 K464	N456-S460 WeakPolarHBondContact O-CB 3.42Å; N456-S460 PolarHBondContact O-N 3.26Å; N456-S460 PolarHBondContact O-OG 3.23Å; N457-S460 PolarHBondContact O-N 2.71Å; N457-S460 VanDerWaalsContact O-N 3.15Å; A458-S460 PolarHBondContact O-N 3.09Å; S460-L463 PolarHBondContact O-N 2.91Å; S460-K464 VanDerWaalsContact O-CB 3.29Å; S460-K464 WeakPolarHBondContact O-CB 3.12Å; S460-K464 PolarHBondContact O-N 3.34Å
461	A	52.1	Low	51.6	Low	1 Å²	1	79.3 Å²	79.3	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-43.2	174.6	0	0	0	0	0	112.3	A421 N457 A458 K464 Y465	A421-A461 HydrophobicContact CB-CB 3.49Å; A421-A461 VanDerWaalsContact CB-CB 3.49Å; N457-A461 WeakPolarHBondContact O-CB 3.37Å; N457-A461 PolarHBondContact O-N 3.22Å; A458-A461 PolarHBondContact O-N 3.26Å; A461-K464 PolarHBondContact O-N 2.79Å; A461-Y465 PolarHBondContact O-N 3.1Å
462	Y	53.6	Low	50.6	Low	61 Å²	61	81 Å²	81	24%	0.239	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175.4	-176.5	-90.3	0	0	0	112.3	L425 V442 A458 K459 Y465 K466	L425-Y462 HydrophobicContact CD2-CD2 4.09Å; V442-Y462 HydrophobicContact CG2-CD1 3.46Å; V442-Y462 VanDerWaalsContact CG2-CD1 3.46Å; V442-Y462 HydrophobicContact CG2-CD2 4.04Å; V442-Y462 HydrophobicContact CG2-CE1 3.17Å; V442-Y462 HydrophobicContact CG2-CE2 3.78Å; V442-Y462 HydrophobicContact CG2-CG 3.89Å; A458-Y462 WeakPolarHBondContact O-CB 3.42Å; A458-Y462 PolarHBondContact O-N 2.97Å; K459-Y462 PolarHBondContact O-N 2.98Å; Y462-Y465 PolarHBondContact O-N 3.38Å; Y462-K466 PolarHBondContact O-N 2.02Å
463	L	56.9	Low	49.4	Very low	100 Å²	100	79.7 Å²	79.7	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-42	175.6	-73.8	170.4	0	0	0	111.5	K459 S460 K466 L467	K459-L463 WeakPolarHBondContact O-CB 3.45Å; K459-L463 VanDerWaalsContact O-CG 3.24Å; K459-L463 WeakPolarHBondContact O-CG 3.49Å; K459-L463 PolarHBondContact O-N 2.98Å; S460-L463 PolarHBondContact O-N 2.91Å; L463-K466 PolarHBondContact O-N 2.69Å; L463-L467 WeakPolarHBondContact O-CB 3.45Å; L463-L467 VanDerWaalsContact O-CG 3.32Å; L463-L467 WeakPolarHBondContact O-CG 3.44Å; L463-L467 PolarHBondContact O-N 2.85Å
464	K	58.6	Low	48.5	Very low	74 Å²	74	79.8 Å²	79.8	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-46.9	173.7	-178.4	171.9	178.6	167.1	0	111.4	N419 S460 A461 K466 L467 D468	N419-K464 PolarHBondContact OD1-NZ 3.39Å; S460-K464 VanDerWaalsContact O-CB 3.29Å; S460-K464 WeakPolarHBondContact O-CB 3.12Å; S460-K464 PolarHBondContact O-N 3.34Å; A461-K464 PolarHBondContact O-N 2.79Å; K464-K466 PolarHBondContact O-N 3.46Å; K464-L467 PolarHBondContact O-N 3.4Å; K464-D468 PolarHBondContact O-N 2.84Å
465	Y	52	Low	47.6	Very low	29 Å²	29	80.1 Å²	80.1	11%	0.114	41%	0.411	C	S	.	.	H	α-helix	trans	-58.6	-46.6	173.5	173.2	-91.8	0	0	0	112.9	H422 L425 I429 A461 Y462 L467 D468 F469	H422-Y465 WeakPolarHBondContact ND1-CA 3.42Å; H422-Y465 PolarHBondContact ND1-N 3.37Å; L425-Y465 VanDerWaalsContact CD2-CB 3.43Å; L425-Y465 HydrophobicContact CD2-CD1 3.84Å; L425-Y465 HydrophobicContact CD2-CD2 4.11Å; L425-Y465 HydrophobicContact CD2-CG 3.51Å; I429-Y465 HydrophobicContact CD1-CD1 3.71Å; I429-Y465 HydrophobicContact CD1-CD2 4.26Å; I429-Y465 HydrophobicContact CD1-CE1 3.23Å; I429-Y465 HydrophobicContact CD1-CE2 3.82Å; I429-Y465 HydrophobicContact CD1-CG 4.21Å; I429-Y465 WeakPolarHBondContact CG2-OH 3.1Å; A461-Y465 PolarHBondContact O-N 3.1Å; Y462-Y465 PolarHBondContact O-N 3.38Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 2.83Å; Y465-D468 PolarHBondContact O-N 2.9Å; Y465-F469 HydrophobicContact CE1-CB 4.43Å; Y465-F469 HydrophobicContact CE2-CD2 4.17Å; Y465-F469 AromaticContact CZ-CD2 3.83Å; Y465-F469 WeakPolarHBondContact O-CB 3.15Å; Y465-F469 PolarHBondContact O-N 3.38Å; Y465-F469 WeakPolarHBondContact OH-CD2 3.49Å
466	K	53.2	Low	46.9	Very low	130 Å²	130	83.2 Å²	83.2	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-61.6	-38.3	177.9	-171.1	178.3	179.9	-179.9	0	111.4	Y462 L463 K464 A470	Y462-K466 PolarHBondContact O-N 2.02Å; L463-K466 PolarHBondContact O-N 2.69Å; K464-K466 PolarHBondContact O-N 3.46Å; K466-A470 WeakPolarHBondContact O-CB 3.46Å; K466-A470 PolarHBondContact O-N 2.78Å
467	L	53.3	Low	46.1	Very low	102 Å²	102	85.7 Å²	85.7	53%	0.534	45%	0.447	S	S	.	.	H	α-helix	trans	-65.2	-50.7	174.7	-74.3	167.6	0	0	0	111	L463 K464 Y465 F469 A470 F471	L463-L467 WeakPolarHBondContact O-CB 3.45Å; L463-L467 VanDerWaalsContact O-CG 3.32Å; L463-L467 WeakPolarHBondContact O-CG 3.44Å; L463-L467 PolarHBondContact O-N 2.85Å; K464-L467 PolarHBondContact O-N 3.4Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 2.83Å; L467-F469 PolarHBondContact O-N 2.75Å; L467-A470 PolarHBondContact O-N 3.47Å; L467-F471 WeakPolarHBondContact O-CB 3.35Å; L467-F471 VanDerWaalsContact O-CD2 3.3Å; L467-F471 WeakPolarHBondContact O-CD2 3.4Å; L467-F471 PolarHBondContact O-N 3.14Å
468	D	48.3	Very low	45	Very low	73 Å²	73	90.4 Å²	90.4	39%	0.39	47%	0.473	S	S	.	.	H	α-helix	trans	-60.1	-36	178.9	-68.3	-26.4	0	0	0	111.7	H422 K464 Y465 S472	H422-D468 IonicContact CE1-OD2 3.52Å; H422-D468 PolarHBondContact CE1-OD2 3.05Å; H422-D468 IonicContact ND1-OD2 2.95Å; H422-D468 IonicContact NE2-OD2 2.67Å; K464-D468 PolarHBondContact O-N 2.84Å; Y465-D468 PolarHBondContact O-N 2.9Å; D468-S472 WeakPolarHBondContact O-CB 3.3Å; D468-S472 PolarHBondContact O-N 2.81Å
469	F	43	Very low	44	Very low	95 Å²	95	96.3 Å²	96.3	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-78.4	-37.7	177.9	-141.5	-88.5	0	0	0	113.4	K433 Y465 L467 S472 S473	K433-F469 VanDerWaalsContact NZ-CE1 3.34Å; Y465-F469 HydrophobicContact CE1-CB 4.43Å; Y465-F469 HydrophobicContact CE2-CD2 4.17Å; Y465-F469 AromaticContact CZ-CD2 3.83Å; Y465-F469 WeakPolarHBondContact O-CB 3.15Å; Y465-F469 PolarHBondContact O-N 3.38Å; Y465-F469 WeakPolarHBondContact OH-CD2 3.49Å; L467-F469 PolarHBondContact O-N 2.75Å; F469-S472 WeakPolarHBondContact O-CB 3.24Å; F469-S472 PolarHBondContact O-N 2.89Å; F469-S473 PolarHBondContact O-N 3.22Å
470	A	37.6	Very low	42.8	Very low	47 Å²	47	97.9 Å²	97.9	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-37.4	173.5	0	0	0	0	0	111.4	K466 L467 S472 S473 N474	K466-A470 WeakPolarHBondContact O-CB 3.46Å; K466-A470 PolarHBondContact O-N 2.78Å; L467-A470 PolarHBondContact O-N 3.47Å; A470-S472 VanDerWaalsContact C-N 3.29Å; A470-S472 PolarHBondContact O-N 2.85Å; A470-S473 PolarHBondContact O-N 3.38Å; A470-S473 PolarHBondContact O-OG 3.46Å; A470-S473 VanDerWaalsContact O-OG 3.1Å; A470-N474 WeakPolarHBondContact O-CB 3.24Å; A470-N474 PolarHBondContact O-N 2.89Å
471	F	30.7	Very low	41.6	Very low	131 Å²	131	102.9 Å²	102.9	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-30.7	171.2	-91.1	-77	0	0	0	112.2	L467	L467-F471 WeakPolarHBondContact O-CB 3.35Å; L467-F471 VanDerWaalsContact O-CD2 3.3Å; L467-F471 WeakPolarHBondContact O-CD2 3.4Å; L467-F471 PolarHBondContact O-N 3.14Å
472	S	32.5	Very low	40.3	Very low	97 Å²	97	110.2 Å²	110.2	68%	0.678	57%	0.569	S	S	*	*	H	α-helix	trans	-72.9	-29	172	-174.3	0	0	0	0	113.3	D468 F469 A470	D468-S472 WeakPolarHBondContact O-CB 3.3Å; D468-S472 PolarHBondContact O-N 2.81Å; F469-S472 WeakPolarHBondContact O-CB 3.24Å; F469-S472 PolarHBondContact O-N 2.89Å; A470-S472 VanDerWaalsContact C-N 3.29Å; A470-S472 PolarHBondContact O-N 2.85Å
473	S	31.5	Very low	39.1	Very low	88 Å²	88	111.1 Å²	111.1	62%	0.615	58%	0.584	S	S	*	*	H	α-helix	trans	-86.8	-24.6	179.1	69.9	0	0	0	0	113.7	F469 A470	F469-S473 PolarHBondContact O-N 3.22Å; A470-S473 PolarHBondContact O-N 3.38Å; A470-S473 PolarHBondContact O-OG 3.46Å; A470-S473 VanDerWaalsContact O-OG 3.1Å
474	N	35.5	Very low	37.7	Very low	138 Å²	138	113.1 Å²	113.1	74%	0.738	59%	0.591	S	S	*	*	S	Bend	trans	-113.2	20.7	-171.4	-103.6	18.2	0	0	0	115.4	A470 D476	A470-N474 WeakPolarHBondContact O-CB 3.24Å; A470-N474 PolarHBondContact O-N 2.89Å; N474-D476 PolarHBondContact O-N 2.79Å
475	K	31.8	Very low	36.1	Very low	116 Å²	116	119.6 Å²	119.6	50%	0.504	62%	0.615	S	S	.	*			trans	-94.2	86.3	170.1	-91.9	-169.9	172.6	-170.9	0	111.9	N479	K475-N479 PolarHBondContact NZ-O 2.88Å
476	D	36.1	Very low	35.1	Very low	148 Å²	148	123.5 Å²	123.5	79%	0.791	64%	0.638	S	S	*	*			trans	-44	145.9	146	-79.2	-48.3	0	0	0	111.4	N474 N478	N474-D476 PolarHBondContact O-N 2.79Å; D476-N478 PolarHBondContact O-N 3.04Å
477	N	42.8	Very low	33.8	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	64%	0.642	S	S	*	*	S	Bend	trans	-41.2	131.3	179	-74.9	-36.6	0	0	0	113.1
478	N	31.3	Very low	32.6	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	65%	0.652	S	S	*	*			trans	86.3	84.9	173.3	-52.1	-27.5	0	0	0	115.9	D476	D476-N478 PolarHBondContact O-N 3.04Å
479	N	28.5	Very low	31.9	Very low	131 Å²	131	129.9 Å²	129.9	70%	0.701	67%	0.67	S	S	*	*				179.8	96.1	120.7	-85.8	-19.1	0	0	0	110	K475 E481	K475-N479 PolarHBondContact NZ-O 2.88Å; N479-E481 PolarHBondContact O-N 2.99Å
480	I	32.2	Very low	31.4	Very low	140 Å²	140	131.3 Å²	131.3	72%	0.718	68%	0.682	S	S	*	*			trans	-48	111.9	152.2	-58.3	160.6	0	0	0	106
481	E	31.4	Very low	31.1	Very low	166 Å²	166	135 Å²	135	78%	0.776	70%	0.695	S	S	*	*	S	Bend		-170.4	13.1	114.4	-102.3	-177.8	169.1	0	0	115.2	N479	N479-E481 PolarHBondContact O-N 2.99Å
482	I	25.6	Very low	31.3	Very low	155 Å²	155	136.3 Å²	136.3	80%	0.795	71%	0.708	S	S	*	*	S	Bend	trans	-111.4	-7.3	175.9	-57	178.9	0	0	0	112.9
483	S	28.6	Very low	31.6	Very low	79 Å²	79	136.6 Å²	136.6	55%	0.552	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-82	-8.9	177.7	58.5	0	0	0	0	115.2	Y485	S483-Y485 VanDerWaalsContact C-N 3.33Å; S483-Y485 PolarHBondContact O-N 2.78Å
484	Q	26.9	Very low	32.1	Very low	142 Å²	142	136.2 Å²	136.2	66%	0.664	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-77.4	-12.9	-177.2	-82.9	-171	-9.6	0	0	114.9
485	Y	25.9	Very low	32.5	Very low	211 Å²	211	132.3 Å²	132.3	83%	0.827	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-81.5	-13.8	-171.9	-136.2	-92.3	0	0	0	114.8	S483	S483-Y485 VanDerWaalsContact C-N 3.33Å; S483-Y485 PolarHBondContact O-N 2.78Å
486	N	30.9	Very low	33.2	Very low	110 Å²	110	133 Å²	133	59%	0.588	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	-11.7	-173.9	-77.7	-14.7	0	0	0	117.2
487	E	26.5	Very low	33.9	Very low	139 Å²	139	131.7 Å²	131.7	65%	0.65	67%	0.671	S	S	*	*	S	Bend	trans	-75.3	-42.7	176.5	-89.4	178.6	157.3	0	0	112.7	V489 L490	E487-V489 PolarHBondContact O-N 2.87Å; E487-L490 PolarHBondContact O-N 3.46Å
488	K	27.3	Very low	34.4	Very low	174 Å²	174	129.1 Å²	129.1	76%	0.757	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-17.4	-175.7	-80.7	-176	177.6	175.5	0	115.4
489	V	34.2	Very low	35.5	Very low	127 Å²	127	124.2 Å²	124.2	77%	0.77	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-15.4	178.9	-179	0	0	0	0	111.6	E487	E487-V489 PolarHBondContact O-N 2.87Å
490	L	32.4	Very low	36.7	Very low	125 Å²	125	120.9 Å²	120.9	65%	0.654	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	0.6	-173.9	-79.9	163.5	0	0	0	114.8	E487 D492 P493	E487-L490 PolarHBondContact O-N 3.46Å; L490-D492 PolarHBondContact O-N 2.95Å; L490-P493 WeakPolarHBondContact O-CD 3.36Å
491	D	30.3	Very low	38.1	Very low	124 Å²	124	120 Å²	120	66%	0.663	60%	0.603	S	S	*	*	S	Bend	trans	-71.9	-6.1	-175.2	-78.1	-31.1	0	0	0	115.3
492	D	34.9	Very low	39.6	Very low	158 Å²	158	112.8 Å²	112.8	85%	0.845	57%	0.57	S	S	*	*	S	Bend	trans	-143.4	73.9	173.1	-113.5	-13.5	0	0	0	110.4	L490 L494	L490-D492 PolarHBondContact O-N 2.95Å; D492-L494 PolarHBondContact O-N 3.31Å
493	P	39.9	Very low	41.4	Very low	103 Å²	103	109 Å²	109	67%	0.669	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-69.6	119.1	175	28	-27.8	0	0	0	108.7	L490 S495	L490-P493 WeakPolarHBondContact O-CD 3.36Å; P493-S495 PolarHBondContact O-N 3.42Å
494	L	40.9	Very low	43.1	Very low	80 Å²	80	106.5 Å²	106.5	42%	0.419	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-49	129.4	172.6	-68.7	163.3	0	0	0	109.5	D492 E498 L502	D492-L494 PolarHBondContact O-N 3.31Å; L494-E498 HydrophobicContact CB-CB 4.04Å; L494-E498 HydrophobicContact CD2-CB 3.85Å; L494-L502 HydrophobicContact CD1-CD2 3.92Å
495	S	43.6	Very low	45.3	Very low	56 Å²	56	102.6 Å²	102.6	39%	0.392	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-57.8	156.3	171.9	63.8	0	0	0	0	110.7	P493 E497 E498 Y499	P493-S495 PolarHBondContact O-N 3.42Å; S495-E497 PolarHBondContact O-N 3.13Å; S495-E497 VanDerWaalsContact O-N 3.09Å; S495-E498 WeakPolarHBondContact CB-OE2 3.44Å; S495-E498 PolarHBondContact N-OE2 3.23Å; S495-E498 WeakPolarHBondContact O-CA 2.98Å; S495-E498 PolarHBondContact O-N 3.26Å; S495-E498 VanDerWaalsContact OG-CD 3.3Å; S495-E498 VanDerWaalsContact OG-CG 3.23Å; S495-E498 WeakPolarHBondContact OG-CG 3.18Å; S495-E498 PolarHBondContact OG-N 2.91Å; S495-E498 PolarHBondContact OG-OE2 3.5Å; S495-Y499 PolarHBondContact O-N 2.76Å
496	Y	46.6	Very low	47.3	Very low	131 Å²	131	92.8 Å²	92.8	51%	0.514	48%	0.482	S	S	.	.	H	α-helix	trans	-49.6	-39.3	175.7	170.6	-97.9	0	0	0	112.1	L395 Y499 S500	L395-Y496 HydrophobicContact CD2-CE2 3.81Å; L395-Y496 WeakPolarHBondContact CD2-OH 3.2Å; L395-Y496 HydrophobicContact CG-CE2 4.14Å; Y496-Y499 PolarHBondContact O-N 2.75Å; Y496-S500 VanDerWaalsContact O-CB 3.23Å; Y496-S500 WeakPolarHBondContact O-CB 3.5Å; Y496-S500 PolarHBondContact O-N 3.41Å
497	E	50.6	Low	49.3	Very low	120 Å²	120	92.9 Å²	92.9	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-41.1	178.4	-160.9	-175.6	155	0	0	112.1	S495 K501	S495-E497 PolarHBondContact O-N 3.13Å; S495-E497 VanDerWaalsContact O-N 3.09Å; E497-K501 HydrophobicContact CG-CD 4.49Å; E497-K501 WeakPolarHBondContact O-CB 3.35Å; E497-K501 WeakPolarHBondContact O-CD 3.37Å; E497-K501 WeakPolarHBondContact O-CG 3.32Å; E497-K501 PolarHBondContact O-N 3.38Å; E497-K501 WeakPolarHBondContact OE1-CE 3Å; E497-K501 IonicContact OE1-NZ 3.03Å; E497-K501 PolarHBondContact OE1-NZ 2.01Å
498	E	53.9	Low	51.6	Low	96 Å²	96	91.5 Å²	91.5	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-69.8	-38.6	175.6	-70.9	166.6	142.8	0	0	112.4	L494 S495 L502	L494-E498 HydrophobicContact CB-CB 4.04Å; L494-E498 HydrophobicContact CD2-CB 3.85Å; S495-E498 WeakPolarHBondContact CB-OE2 3.44Å; S495-E498 PolarHBondContact N-OE2 3.23Å; S495-E498 WeakPolarHBondContact O-CA 2.98Å; S495-E498 PolarHBondContact O-N 3.26Å; S495-E498 VanDerWaalsContact OG-CD 3.3Å; S495-E498 VanDerWaalsContact OG-CG 3.23Å; S495-E498 WeakPolarHBondContact OG-CG 3.18Å; S495-E498 PolarHBondContact OG-N 2.91Å; S495-E498 PolarHBondContact OG-OE2 3.5Å; E498-L502 VanDerWaalsContact O-CB 3.31Å; E498-L502 WeakPolarHBondContact O-CB 3.39Å; E498-L502 PolarHBondContact O-N 2.89Å
499	Y	53.5	Low	54	Low	42 Å²	42	83.4 Å²	83.4	17%	0.165	44%	0.439	C	S	.	.	H	α-helix	trans	-67.2	-44.8	175.9	-173.7	-91.1	0	0	0	111.5	M387 S495 Y496 K501 L502 F503	M387-Y499 HydrophobicContact CB-CE2 4.35Å; M387-Y499 WeakPolarHBondContact CB-OH 3.33Å; M387-Y499 PolarHBondContact O-OH 3.46Å; M387-Y499 VanDerWaalsContact O-OH 3.13Å; M387-Y499 HydrophobicContact SD-CE2 3.88Å; S495-Y499 PolarHBondContact O-N 2.76Å; Y496-Y499 PolarHBondContact O-N 2.75Å; Y499-K501 VanDerWaalsContact C-N 3.35Å; Y499-K501 PolarHBondContact O-N 3.41Å; Y499-L502 WeakPolarHBondContact O-CB 3.06Å; Y499-L502 PolarHBondContact O-N 2.83Å; Y499-F503 WeakPolarHBondContact O-CB 3.36Å; Y499-F503 PolarHBondContact O-N 2.04Å
500	S	55.1	Low	56.1	Low	60 Å²	60	78.2 Å²	78.2	42%	0.42	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-43	175.6	-175.4	0	0	0	0	111.6	Y496 F503 G504	Y496-S500 VanDerWaalsContact O-CB 3.23Å; Y496-S500 WeakPolarHBondContact O-CB 3.5Å; Y496-S500 PolarHBondContact O-N 3.41Å; S500-F503 PolarHBondContact O-N 2.97Å; S500-G504 PolarHBondContact O-N 2.81Å
501	K	61.3	Low	58.3	Low	123 Å²	123	76.5 Å²	76.5	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-59.8	-46.2	171.8	-75.8	169.5	-174.1	166.2	0	111.5	E497 Y499 G504 V505	E497-K501 HydrophobicContact CG-CD 4.49Å; E497-K501 WeakPolarHBondContact O-CB 3.35Å; E497-K501 WeakPolarHBondContact O-CD 3.37Å; E497-K501 WeakPolarHBondContact O-CG 3.32Å; E497-K501 PolarHBondContact O-N 3.38Å; E497-K501 WeakPolarHBondContact OE1-CE 3Å; E497-K501 IonicContact OE1-NZ 3.03Å; E497-K501 PolarHBondContact OE1-NZ 2.01Å; Y499-K501 VanDerWaalsContact C-N 3.35Å; Y499-K501 PolarHBondContact O-N 3.41Å; K501-G504 PolarHBondContact O-N 2.89Å; K501-V505 VanDerWaalsContact O-CG2 3.26Å; K501-V505 WeakPolarHBondContact O-CG2 3.34Å; K501-V505 PolarHBondContact O-N 2.77Å
502	L	62.1	Low	60.6	Low	14 Å²	14	73.1 Å²	73.1	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-46.1	178.3	-174.9	69.9	0	0	0	111.6	L321 F382 L494 E498 Y499 G504 V505 I506	L321-L502 HydrophobicContact CD1-CD1 3.49Å; L321-L502 VanDerWaalsContact CD1-CD1 3.49Å; L321-L502 HydrophobicContact CD1-CG 4.48Å; F382-L502 HydrophobicContact CZ-CD2 4.46Å; L494-L502 HydrophobicContact CD1-CD2 3.92Å; E498-L502 VanDerWaalsContact O-CB 3.31Å; E498-L502 WeakPolarHBondContact O-CB 3.39Å; E498-L502 PolarHBondContact O-N 2.89Å; Y499-L502 WeakPolarHBondContact O-CB 3.06Å; Y499-L502 PolarHBondContact O-N 2.83Å; L502-G504 PolarHBondContact O-N 3.36Å; L502-V505 WeakPolarHBondContact O-CB 3.4Å; L502-V505 PolarHBondContact O-N 2.99Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 WeakPolarHBondContact O-CG1 3.1Å; L502-I506 PolarHBondContact O-N 2.89Å
503	F	63.6	Low	62.6	Low	74 Å²	74	65.6 Å²	65.6	33%	0.325	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-46.6	177.7	-174.2	-87.4	0	0	0	111.4	L383 Y499 S500 V505 I506 K507	L383-F503 HydrophobicContact CD2-CD2 3.76Å; L383-F503 HydrophobicContact CD2-CE2 3.57Å; L383-F503 HydrophobicContact CD2-CZ 4.27Å; Y499-F503 WeakPolarHBondContact O-CB 3.36Å; Y499-F503 PolarHBondContact O-N 2.04Å; S500-F503 PolarHBondContact O-N 2.97Å; F503-V505 VanDerWaalsContact C-N 3.31Å; F503-V505 PolarHBondContact O-N 3.04Å; F503-I506 PolarHBondContact O-N 3.35Å; F503-K507 PolarHBondContact O-N 3.2Å
504	G	64.1	Low	64.7	Low	28 Å²	28	63 Å²	63	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-42	174.3	0	0	0	0	0	112.6	S500 K501 L502 N508	S500-G504 PolarHBondContact O-N 2.81Å; K501-G504 PolarHBondContact O-N 2.89Å; L502-G504 PolarHBondContact O-N 3.36Å; G504-N508 WeakPolarHBondContact O-CB 3.11Å; G504-N508 PolarHBondContact O-N 2.82Å; G504-N508 PolarHBondContact O-ND2 2.81Å
505	V	72.9	Confident	66.6	Low	60 Å²	60	64 Å²	64	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-42.9	175.9	170.9	0	0	0	0	111.8	L321 K501 L502 F503 L509	L321-V505 HydrophobicContact CB-CG1 4.11Å; L321-V505 HydrophobicContact CD1-CG1 4.09Å; K501-V505 VanDerWaalsContact O-CG2 3.26Å; K501-V505 WeakPolarHBondContact O-CG2 3.34Å; K501-V505 PolarHBondContact O-N 2.77Å; L502-V505 WeakPolarHBondContact O-CB 3.4Å; L502-V505 PolarHBondContact O-N 2.99Å; F503-V505 VanDerWaalsContact C-N 3.31Å; F503-V505 PolarHBondContact O-N 3.04Å; V505-L509 WeakPolarHBondContact O-CB 3.12Å; V505-L509 PolarHBondContact O-N 2.85Å
506	I	69.3	Low	68.4	Low	4 Å²	4	61.8 Å²	61.8	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-43.2	179.6	-66.4	172.1	0	0	0	111.2	L321 L379 F382 L383 L502 F503 L509 L510	L321-I506 HydrophobicContact CD1-CD1 4.02Å; L321-I506 HydrophobicContact CD1-CG1 3.43Å; L321-I506 VanDerWaalsContact CD1-CG1 3.43Å; L321-I506 HydrophobicContact CD2-CG1 4.13Å; L321-I506 HydrophobicContact CG-CG1 4.44Å; L379-I506 HydrophobicContact CD2-CG2 4.28Å; F382-I506 HydrophobicContact CD1-CD1 3.41Å; F382-I506 VanDerWaalsContact CD1-CD1 3.41Å; F382-I506 HydrophobicContact CE1-CD1 3.27Å; F382-I506 HydrophobicContact CG-CD1 4.47Å; F382-I506 HydrophobicContact CZ-CD1 4.25Å; L383-I506 HydrophobicContact CD1-CG2 4.08Å; L383-I506 HydrophobicContact CD2-CB 4.16Å; L383-I506 HydrophobicContact CD2-CG2 3.59Å; L383-I506 HydrophobicContact CG-CG2 3.7Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 WeakPolarHBondContact O-CG1 3.1Å; L502-I506 PolarHBondContact O-N 2.89Å; F503-I506 PolarHBondContact O-N 3.35Å; I506-L509 WeakPolarHBondContact O-CB 3.15Å; I506-L509 PolarHBondContact O-N 2.88Å; I506-L510 PolarHBondContact O-N 3.38Å
507	K	72.5	Confident	70.2	Confident	113 Å²	113	56.2 Å²	56.2	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-48.4	176.9	-174.6	178.8	177.5	-178.5	0	111.5	F503 L509 L510 D511	F503-K507 PolarHBondContact O-N 3.2Å; K507-L509 PolarHBondContact O-N 2.77Å; K507-L510 WeakPolarHBondContact O-CB 3.33Å; K507-L510 PolarHBondContact O-N 3.35Å; K507-L510 VanDerWaalsContact O-N 3.08Å; K507-D511 PolarHBondContact O-N 3.27Å
508	N	75.3	Confident	71.8	Confident	109 Å²	109	57.1 Å²	57.1	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-59.1	-35.7	175.6	-70.9	-14.7	0	0	0	112.1	G504 F512	G504-N508 WeakPolarHBondContact O-CB 3.11Å; G504-N508 PolarHBondContact O-N 2.82Å; G504-N508 PolarHBondContact O-ND2 2.81Å; N508-F512 WeakPolarHBondContact O-CB 3.08Å; N508-F512 PolarHBondContact O-N 3.28Å; N508-F512 VanDerWaalsContact O-N 3.09Å
509	L	76.6	Confident	73	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-38.9	176.2	-174.6	59.9	0	0	0	112.1	L321 L324 W325 I328 L379 V505 I506 K507 F512 T513	L321-L509 HydrophobicContact CB-CD2 4.41Å; L321-L509 HydrophobicContact CD2-CD2 3.84Å; L324-L509 HydrophobicContact CD2-CD2 3.97Å; L324-L509 HydrophobicContact CG-CD2 4.35Å; W325-L509 HydrophobicContact CB-CD1 3.79Å; W325-L509 HydrophobicContact CG-CD1 4.1Å; I328-L509 HydrophobicContact CD1-CD1 4.14Å; L379-L509 HydrophobicContact CD1-CD2 3.77Å; L379-L509 HydrophobicContact CD1-CG 3.91Å; L379-L509 HydrophobicContact CD2-CD2 4.12Å; V505-L509 WeakPolarHBondContact O-CB 3.12Å; V505-L509 PolarHBondContact O-N 2.85Å; I506-L509 WeakPolarHBondContact O-CB 3.15Å; I506-L509 PolarHBondContact O-N 2.88Å; K507-L509 PolarHBondContact O-N 2.77Å; L509-F512 PolarHBondContact O-N 3.4Å; L509-T513 WeakPolarHBondContact O-CG2 3.29Å; L509-T513 PolarHBondContact O-N 2.65Å; L509-T513 PolarHBondContact O-OG1 2.97Å
510	L	77.6	Confident	74.3	Confident	18 Å²	18	53.1 Å²	53.1	9%	0.094	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-47.3	174.2	-80.2	-179	0	0	0	112.2	R376 L379 L383 I506 K507 F512 T513 D514	R376-L510 HydrophobicContact CG-CD2 3.92Å; L379-L510 HydrophobicContact CB-CD2 3.59Å; L379-L510 HydrophobicContact CB-CG 4.15Å; L379-L510 HydrophobicContact CD1-CD2 4.12Å; L383-L510 HydrophobicContact CD1-CD1 3.24Å; L383-L510 HydrophobicContact CD1-CG 4.46Å; L383-L510 HydrophobicContact CG-CD1 4.23Å; I506-L510 PolarHBondContact O-N 3.38Å; K507-L510 WeakPolarHBondContact O-CB 3.33Å; K507-L510 PolarHBondContact O-N 3.35Å; K507-L510 VanDerWaalsContact O-N 3.08Å; L510-F512 PolarHBondContact O-N 3.46Å; L510-T513 VanDerWaalsContact CA-OG1 3.3Å; L510-T513 WeakPolarHBondContact CA-OG1 3.35Å; L510-T513 PolarHBondContact O-N 3.3Å; L510-T513 PolarHBondContact O-OG1 3.02Å; L510-D514 PolarHBondContact O-N 3.32Å
511	D	79	Confident	75.8	Confident	89 Å²	89	53.5 Å²	53.5	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-40	177.4	-66	-21.7	0	0	0	110.7	K507 D514 L515	K507-D511 PolarHBondContact O-N 3.27Å; D511-D514 PolarHBondContact O-N 3.48Å; D511-L515 PolarHBondContact O-N 2.94Å
512	F	78.3	Confident	76.9	Confident	54 Å²	54	52.3 Å²	52.3	24%	0.237	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-40.4	174.1	-175.5	-103	0	0	0	113.1	W325 I328 T332 N508 L509 L510 D514 F516	W325-F512 AromaticContact CD1-CD1 3.8Å; W325-F512 AromaticContact NE1-CD1 3.94Å; W325-F512 AromaticContact NE1-CG 3.85Å; I328-F512 HydrophobicContact CB-CD1 4.36Å; I328-F512 HydrophobicContact CB-CE1 3.88Å; I328-F512 HydrophobicContact CG2-CD1 3.92Å; I328-F512 HydrophobicContact CG2-CE1 3.48Å; I328-F512 VanDerWaalsContact CG2-CE1 3.48Å; T332-F512 HydrophobicContact CG2-CE1 4.23Å; T332-F512 HydrophobicContact CG2-CZ 3.95Å; N508-F512 WeakPolarHBondContact O-CB 3.08Å; N508-F512 PolarHBondContact O-N 3.28Å; N508-F512 VanDerWaalsContact O-N 3.09Å; L509-F512 PolarHBondContact O-N 3.4Å; L510-F512 PolarHBondContact O-N 3.46Å; F512-D514 VanDerWaalsContact C-N 3.32Å; F512-F516 WeakPolarHBondContact O-CB 3.22Å; F512-F516 PolarHBondContact O-N 2.91Å
513	T	78.4	Confident	77.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-38.3	174.7	51.8	0	0	0	0	112	I328 V372 L509 L510 F516 L517	I328-T513 HydrophobicContact CD1-CG2 3.62Å; V372-T513 HydrophobicContact CG1-CG2 4.05Å; L509-T513 WeakPolarHBondContact O-CG2 3.29Å; L509-T513 PolarHBondContact O-N 2.65Å; L509-T513 PolarHBondContact O-OG1 2.97Å; L510-T513 VanDerWaalsContact CA-OG1 3.3Å; L510-T513 WeakPolarHBondContact CA-OG1 3.35Å; L510-T513 PolarHBondContact O-N 3.3Å; L510-T513 PolarHBondContact O-OG1 3.02Å; T513-F516 PolarHBondContact O-N 3.35Å; T513-L517 WeakPolarHBondContact O-CB 3.46Å; T513-L517 VanDerWaalsContact O-CG 3.27Å; T513-L517 WeakPolarHBondContact O-CG 3.12Å; T513-L517 PolarHBondContact O-N 2.93Å
514	D	83	Confident	78.7	Confident	47 Å²	47	51 Å²	51	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-46.7	-178.5	-73.9	11.4	0	0	0	110	R376 L510 D511 F512 F516 L517 E518	R376-D514 WeakPolarHBondContact CD-OD1 3.31Å; R376-D514 IonicContact CZ-OD1 2.9Å; R376-D514 IonicContact CZ-OD2 3.02Å; R376-D514 IonicContact NE-OD1 2.72Å; R376-D514 PolarHBondContact NE-OD1 3.24Å; R376-D514 IonicContact NE-OD2 3.54Å; R376-D514 IonicContact NH2-OD1 2.73Å; R376-D514 PolarHBondContact NH2-OD1 3.26Å; R376-D514 IonicContact NH2-OD2 3.32Å; R376-D514 PolarHBondContact NH2-OD2 3.37Å; L510-D514 PolarHBondContact O-N 3.32Å; D511-D514 PolarHBondContact O-N 3.48Å; F512-D514 VanDerWaalsContact C-N 3.32Å; D514-F516 VanDerWaalsContact C-N 3.29Å; D514-F516 PolarHBondContact O-N 2.88Å; D514-L517 PolarHBondContact O-N 3.43Å; D514-E518 WeakPolarHBondContact O-CG 3.49Å; D514-E518 PolarHBondContact O-N 3.01Å
515	L	81.7	Confident	79.7	Confident	102 Å²	102	56.7 Å²	56.7	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-41.3	172.8	-178.2	64.3	0	0	0	112.3	D511 T519	D511-L515 PolarHBondContact O-N 2.94Å; L515-T519 WeakPolarHBondContact O-CB 3.32Å; L515-T519 PolarHBondContact O-N 2.81Å; L515-T519 PolarHBondContact O-OG1 3.25Å
516	F	80.2	Confident	80.1	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.9	172.2	-105.7	0	0	0	112.6	I328 L331 T332 L335 V368 V372 F512 T513 D514 T519 S520	I328-F516 HydrophobicContact CG2-CB 4.42Å; I328-F516 HydrophobicContact CG2-CD1 4.33Å; I328-F516 HydrophobicContact CG2-CG 4.25Å; L331-F516 HydrophobicContact CD2-CZ 4.32Å; L331-F516 HydrophobicContact CG-CZ 4.47Å; T332-F516 HydrophobicContact CG2-CB 4.11Å; T332-F516 HydrophobicContact CG2-CD2 3.04Å; T332-F516 HydrophobicContact CG2-CE2 3.54Å; T332-F516 HydrophobicContact CG2-CG 3.73Å; L335-F516 HydrophobicContact CD2-CE2 4.12Å; L335-F516 HydrophobicContact CD2-CZ 4.13Å; V368-F516 HydrophobicContact CG1-CE1 3.89Å; V368-F516 HydrophobicContact CG1-CZ 3.57Å; V372-F516 HydrophobicContact CB-CD1 4.23Å; V372-F516 HydrophobicContact CB-CE1 4.11Å; V372-F516 HydrophobicContact CG1-CD1 3.92Å; V372-F516 HydrophobicContact CG1-CE1 4.32Å; V372-F516 HydrophobicContact CG2-CD1 4.03Å; V372-F516 HydrophobicContact CG2-CE1 3.62Å; F512-F516 WeakPolarHBondContact O-CB 3.22Å; F512-F516 PolarHBondContact O-N 2.91Å; T513-F516 PolarHBondContact O-N 3.35Å; D514-F516 VanDerWaalsContact C-N 3.29Å; D514-F516 PolarHBondContact O-N 2.88Å; F516-T519 PolarHBondContact O-N 3.16Å; F516-S520 WeakPolarHBondContact CD2-OG 3.48Å; F516-S520 WeakPolarHBondContact CE2-OG 3.34Å; F516-S520 VanDerWaalsContact CZ-OG 3.23Å; F516-S520 WeakPolarHBondContact CZ-OG 3.47Å; F516-S520 VanDerWaalsContact O-CB 3.24Å; F516-S520 WeakPolarHBondContact O-CB 3.43Å; F516-S520 PolarHBondContact O-N 3.35Å; F516-S520 PolarHBondContact O-OG 2.9Å
517	L	84.8	Confident	80.7	Confident	14 Å²	14	56.5 Å²	56.5	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-44.6	179.2	-73.3	172.1	0	0	0	111	I369 V372 E373 T513 D514 T519 S520 N521	I369-L517 HydrophobicContact CG2-CD2 3.96Å; V372-L517 HydrophobicContact CB-CD2 4.11Å; V372-L517 HydrophobicContact CG1-CD1 4.49Å; V372-L517 HydrophobicContact CG1-CD2 4.05Å; V372-L517 HydrophobicContact CG1-CG 4.14Å; E373-L517 HydrophobicContact CG-CD1 4.05Å; E373-L517 HydrophobicContact CG-CD2 3.77Å; T513-L517 WeakPolarHBondContact O-CB 3.46Å; T513-L517 VanDerWaalsContact O-CG 3.27Å; T513-L517 WeakPolarHBondContact O-CG 3.12Å; T513-L517 PolarHBondContact O-N 2.93Å; D514-L517 PolarHBondContact O-N 3.43Å; L517-T519 PolarHBondContact O-N 3.48Å; L517-S520 PolarHBondContact O-N 3.01Å; L517-N521 VanDerWaalsContact O-CB 3.28Å; L517-N521 WeakPolarHBondContact O-CB 3.34Å; L517-N521 VanDerWaalsContact O-CG 3.27Å; L517-N521 PolarHBondContact O-N 2.97Å; L517-N521 PolarHBondContact O-ND2 2.87Å; L517-N521 VanDerWaalsContact O-ND2 3.13Å
518	E	84.5	Confident	81.2	Confident	140 Å²	140	54.9 Å²	54.9	65%	0.654	27%	0.273	S	S	*	.	H	α-helix	trans	-58.8	-48.9	174.7	-74.2	-175.3	173.8	0	0	111.9	D514 S520 N521 L522	D514-E518 WeakPolarHBondContact O-CG 3.49Å; D514-E518 PolarHBondContact O-N 3.01Å; E518-S520 VanDerWaalsContact C-N 3.34Å; E518-S520 PolarHBondContact O-N 2.98Å; E518-N521 PolarHBondContact O-N 3.24Å; E518-L522 PolarHBondContact O-N 3.43Å
519	T	79.8	Confident	81.5	Confident	54 Å²	54	53.6 Å²	53.6	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-41.8	178.9	-54.5	0	0	0	0	111.5	L515 F516 L517 L522 Y523	L515-T519 WeakPolarHBondContact O-CB 3.32Å; L515-T519 PolarHBondContact O-N 2.81Å; L515-T519 PolarHBondContact O-OG1 3.25Å; F516-T519 PolarHBondContact O-N 3.16Å; L517-T519 PolarHBondContact O-N 3.48Å; T519-L522 WeakPolarHBondContact O-CB 3.26Å; T519-L522 PolarHBondContact O-N 3.33Å; T519-Y523 HydrophobicContact CG2-CD2 4.22Å; T519-Y523 HydrophobicContact CG2-CE2 3.62Å; T519-Y523 WeakPolarHBondContact O-CD2 3.34Å; T519-Y523 PolarHBondContact O-N 3.03Å
520	S	80	Confident	81.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-39	179.8	-61.8	0	0	0	0	112.2	F516 L517 E518 L522 Y523 V524	F516-S520 WeakPolarHBondContact CD2-OG 3.48Å; F516-S520 WeakPolarHBondContact CE2-OG 3.34Å; F516-S520 VanDerWaalsContact CZ-OG 3.23Å; F516-S520 WeakPolarHBondContact CZ-OG 3.47Å; F516-S520 VanDerWaalsContact O-CB 3.24Å; F516-S520 WeakPolarHBondContact O-CB 3.43Å; F516-S520 PolarHBondContact O-N 3.35Å; F516-S520 PolarHBondContact O-OG 2.9Å; L517-S520 PolarHBondContact O-N 3.01Å; E518-S520 VanDerWaalsContact C-N 3.34Å; E518-S520 PolarHBondContact O-N 2.98Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.14Å; S520-Y523 WeakPolarHBondContact O-CB 3.26Å; S520-Y523 PolarHBondContact O-N 3.44Å; S520-Y523 VanDerWaalsContact O-N 3.16Å; S520-V524 WeakPolarHBondContact O-CG2 3.3Å; S520-V524 PolarHBondContact O-N 3.39Å
521	N	86.3	Confident	81.9	Confident	68 Å²	68	54.2 Å²	54.2	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-38.5	173.2	-80.1	-35.4	0	0	0	111.7	L517 E518 V524 K525	L517-N521 VanDerWaalsContact O-CB 3.28Å; L517-N521 WeakPolarHBondContact O-CB 3.34Å; L517-N521 VanDerWaalsContact O-CG 3.27Å; L517-N521 PolarHBondContact O-N 2.97Å; L517-N521 PolarHBondContact O-ND2 2.87Å; L517-N521 VanDerWaalsContact O-ND2 3.13Å; E518-N521 PolarHBondContact O-N 3.24Å; N521-V524 PolarHBondContact O-N 3.27Å; N521-K525 WeakPolarHBondContact O-CG 3.43Å; N521-K525 PolarHBondContact O-N 3.46Å; N521-K525 VanDerWaalsContact O-N 3.11Å
522	L	84.4	Confident	81.9	Confident	97 Å²	97	52.6 Å²	52.6	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-44.1	172.2	-175.4	66.3	0	0	0	111.7	E518 T519 S520 V524 K525 I526	E518-L522 PolarHBondContact O-N 3.43Å; T519-L522 WeakPolarHBondContact O-CB 3.26Å; T519-L522 PolarHBondContact O-N 3.33Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.14Å; L522-V524 VanDerWaalsContact C-N 3.33Å; L522-V524 PolarHBondContact O-N 2.65Å; L522-K525 WeakPolarHBondContact O-CB 3.37Å; L522-K525 PolarHBondContact O-N 2.9Å; L522-I526 HydrophobicContact CG-CD1 4.12Å; L522-I526 WeakPolarHBondContact O-CG1 3.38Å; L522-I526 PolarHBondContact O-N 3.28Å
523	Y	81.3	Confident	81.8	Confident	47 Å²	47	52.1 Å²	52.1	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-40.6	175.3	-71.5	-47	0	0	0	112.7	S336 T339 T519 S520 K525 I526 L527	S336-Y523 WeakPolarHBondContact CB-OH 3.43Å; S336-Y523 PolarHBondContact OG-OH 2.86Å; T339-Y523 HydrophobicContact CG2-CD1 3.37Å; T339-Y523 HydrophobicContact CG2-CE1 3.91Å; T339-Y523 HydrophobicContact CG2-CG 4.01Å; T519-Y523 HydrophobicContact CG2-CD2 4.22Å; T519-Y523 HydrophobicContact CG2-CE2 3.62Å; T519-Y523 WeakPolarHBondContact O-CD2 3.34Å; T519-Y523 PolarHBondContact O-N 3.03Å; S520-Y523 WeakPolarHBondContact O-CB 3.26Å; S520-Y523 PolarHBondContact O-N 3.44Å; S520-Y523 VanDerWaalsContact O-N 3.16Å; Y523-K525 VanDerWaalsContact C-N 3.33Å; Y523-K525 PolarHBondContact O-N 3.23Å; Y523-I526 PolarHBondContact O-N 3.5Å; Y523-L527 WeakPolarHBondContact O-CB 3.38Å; Y523-L527 VanDerWaalsContact O-CG 3.31Å; Y523-L527 WeakPolarHBondContact O-CG 3.48Å; Y523-L527 PolarHBondContact O-N 2.89Å
524	V	83	Confident	81.8	Confident	13 Å²	13	52.2 Å²	52.2	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-45.8	174.8	171.2	0	0	0	0	110.7	T365 K366 I369 S520 N521 L522 I526 L527 F528	T365-V524 HydrophobicContact CG2-CG2 3.45Å; T365-V524 VanDerWaalsContact CG2-CG2 3.45Å; K366-V524 HydrophobicContact CG-CG1 4.47Å; K366-V524 HydrophobicContact CG-CG2 4.33Å; I369-V524 HydrophobicContact CD1-CG2 3.64Å; S520-V524 WeakPolarHBondContact O-CG2 3.3Å; S520-V524 PolarHBondContact O-N 3.39Å; N521-V524 PolarHBondContact O-N 3.27Å; L522-V524 VanDerWaalsContact C-N 3.33Å; L522-V524 PolarHBondContact O-N 2.65Å; V524-I526 PolarHBondContact O-N 2.93Å; V524-L527 PolarHBondContact O-N 3.26Å; V524-F528 HydrophobicContact CG1-CD2 3.53Å; V524-F528 HydrophobicContact CG1-CE2 3.43Å; V524-F528 VanDerWaalsContact CG1-CE2 3.43Å; V524-F528 VanDerWaalsContact O-CD2 3.23Å; V524-F528 WeakPolarHBondContact O-CD2 3.38Å; V524-F528 PolarHBondContact O-N 3.25Å
525	K	83.7	Confident	81.5	Confident	149 Å²	149	54.7 Å²	54.7	65%	0.648	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-46.2	176.4	-69.5	175.1	-178.9	-179.5	0	111.9	N521 L522 Y523 L527 F528 F529	N521-K525 WeakPolarHBondContact O-CG 3.43Å; N521-K525 PolarHBondContact O-N 3.46Å; N521-K525 VanDerWaalsContact O-N 3.11Å; L522-K525 WeakPolarHBondContact O-CB 3.37Å; L522-K525 PolarHBondContact O-N 2.9Å; Y523-K525 VanDerWaalsContact C-N 3.33Å; Y523-K525 PolarHBondContact O-N 3.23Å; K525-L527 PolarHBondContact O-N 2.93Å; K525-F528 PolarHBondContact O-N 3.47Å; K525-F529 PolarHBondContact O-N 2.98Å
526	I	82.2	Confident	81.2	Confident	59 Å²	59	51.5 Å²	51.5	30%	0.303	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-41.8	178	-65.1	166.7	0	0	0	111.2	L343 L522 Y523 V524 F529 L530	L343-I526 HydrophobicContact CD1-CG2 3.82Å; L343-I526 HydrophobicContact CD2-CG2 3.55Å; L343-I526 HydrophobicContact CG-CG2 4.28Å; L522-I526 HydrophobicContact CG-CD1 4.12Å; L522-I526 WeakPolarHBondContact O-CG1 3.38Å; L522-I526 PolarHBondContact O-N 3.28Å; Y523-I526 PolarHBondContact O-N 3.5Å; V524-I526 PolarHBondContact O-N 2.93Å; I526-F529 WeakPolarHBondContact O-CB 3.3Å; I526-F529 PolarHBondContact O-N 3.09Å; I526-L530 WeakPolarHBondContact O-CB 3.43Å; I526-L530 PolarHBondContact O-N 3.3Å
527	L	82.6	Confident	80.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-38.1	177.5	-72.1	172.5	0	0	0	112.3	L342 A361 I362 Y523 V524 K525 L530 H531	L342-L527 HydrophobicContact CD1-CD2 4.12Å; A361-L527 HydrophobicContact CB-CD1 4.05Å; A361-L527 HydrophobicContact CB-CD2 4.19Å; I362-L527 HydrophobicContact CD1-CB 4.35Å; I362-L527 HydrophobicContact CG1-CB 3.67Å; I362-L527 HydrophobicContact CG1-CD1 4.42Å; Y523-L527 WeakPolarHBondContact O-CB 3.38Å; Y523-L527 VanDerWaalsContact O-CG 3.31Å; Y523-L527 WeakPolarHBondContact O-CG 3.48Å; Y523-L527 PolarHBondContact O-N 2.89Å; V524-L527 PolarHBondContact O-N 3.26Å; K525-L527 PolarHBondContact O-N 2.93Å; L527-L530 PolarHBondContact O-N 2.84Å; L527-H531 WeakPolarHBondContact O-CB 3.32Å; L527-H531 PolarHBondContact O-N 3.45Å
528	F	83.5	Confident	80.6	Confident	79 Å²	79	54.3 Å²	54.3	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-42.6	172.6	-88.7	-67.3	0	0	0	112.1	I362 V524 K525 L530 H531 K532	I362-F528 HydrophobicContact CD1-CD1 3.95Å; I362-F528 HydrophobicContact CD1-CE1 4.1Å; I362-F528 HydrophobicContact CD1-CG 4.22Å; I362-F528 HydrophobicContact CD1-CZ 4.49Å; I362-F528 HydrophobicContact CG2-CD2 4.48Å; I362-F528 HydrophobicContact CG2-CE1 4.2Å; I362-F528 HydrophobicContact CG2-CE2 3.77Å; I362-F528 HydrophobicContact CG2-CZ 3.6Å; V524-F528 HydrophobicContact CG1-CD2 3.53Å; V524-F528 HydrophobicContact CG1-CE2 3.43Å; V524-F528 VanDerWaalsContact CG1-CE2 3.43Å; V524-F528 VanDerWaalsContact O-CD2 3.23Å; V524-F528 WeakPolarHBondContact O-CD2 3.38Å; V524-F528 PolarHBondContact O-N 3.25Å; K525-F528 PolarHBondContact O-N 3.47Å; F528-L530 VanDerWaalsContact C-N 3.32Å; F528-L530 PolarHBondContact O-N 2.6Å; F528-H531 WeakPolarHBondContact O-CB 3.34Å; F528-H531 PolarHBondContact O-N 3.25Å; F528-K532 PolarHBondContact O-N 3.46Å
529	F	81.4	Confident	80.2	Confident	83 Å²	83	52.4 Å²	52.4	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-45	173.9	-178.7	-91.8	0	0	0	111.2	K525 I526 K532 K533 L585 P587	K525-F529 PolarHBondContact O-N 2.98Å; I526-F529 WeakPolarHBondContact O-CB 3.3Å; I526-F529 PolarHBondContact O-N 3.09Å; F529-K532 PolarHBondContact O-N 3.17Å; F529-K533 WeakPolarHBondContact O-CB 3.43Å; F529-K533 PolarHBondContact O-N 2.97Å; F529-L585 WeakPolarHBondContact CD2-O 3.38Å; F529-L585 WeakPolarHBondContact CE2-O 3.46Å; F529-P587 HydrophobicContact CD2-CB 4.07Å; F529-P587 HydrophobicContact CD2-CG 4.32Å; F529-P587 HydrophobicContact CE1-CB 4.12Å; F529-P587 VanDerWaalsContact CE2-CA 3.48Å; F529-P587 HydrophobicContact CE2-CB 3.51Å; F529-P587 HydrophobicContact CE2-CG 4.19Å; F529-P587 HydrophobicContact CZ-CB 3.55Å
530	L	81	Confident	80	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-44.1	175.2	-179.9	64.2	0	0	0	112.2	L343 N346 V358 I526 L527 F528 K533 I534	L343-L530 HydrophobicContact CD2-CD2 4.29Å; N346-L530 HydrophobicContact CB-CD1 3.93Å; N346-L530 WeakPolarHBondContact ND2-CD1 3.39Å; V358-L530 HydrophobicContact CG1-CD2 4.43Å; V358-L530 HydrophobicContact CG1-CG 4.5Å; V358-L530 HydrophobicContact CG2-CD2 4.14Å; V358-L530 HydrophobicContact CG2-CG 4.44Å; I526-L530 WeakPolarHBondContact O-CB 3.43Å; I526-L530 PolarHBondContact O-N 3.3Å; L527-L530 PolarHBondContact O-N 2.84Å; F528-L530 VanDerWaalsContact C-N 3.32Å; F528-L530 PolarHBondContact O-N 2.6Å; L530-K533 PolarHBondContact O-N 2.86Å; L530-I534 HydrophobicContact CD1-CD1 3.96Å; L530-I534 HydrophobicContact CD1-CG1 4.31Å; L530-I534 HydrophobicContact CG-CD1 3.87Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 2.93Å
531	H	81.6	Confident	79.8	Confident	29 Å²	29	53.2 Å²	53.2	13%	0.134	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-53.4	175.7	179.5	-76.6	0	0	0	110.9	L355 V358 K359 I362 L527 F528 K533 I534 E535	L355-H531 VanDerWaalsContact CD1-CD2 3.42Å; L355-H531 WeakPolarHBondContact CD1-CD2 3.34Å; V358-H531 HydrophobicContact CG1-CB 3.88Å; K359-H531 WeakPolarHBondContact CE-NE2 3.48Å; I362-H531 HydrophobicContact CD1-CB 4.14Å; L527-H531 WeakPolarHBondContact O-CB 3.32Å; L527-H531 PolarHBondContact O-N 3.45Å; F528-H531 WeakPolarHBondContact O-CB 3.34Å; F528-H531 PolarHBondContact O-N 3.25Å; H531-K533 VanDerWaalsContact C-N 3.3Å; H531-K533 PolarHBondContact O-N 3.47Å; H531-I534 PolarHBondContact O-N 3.02Å; H531-E535 IonicContact CE1-OE2 2.62Å; H531-E535 PolarHBondContact CE1-OE2 3.41Å; H531-E535 IonicContact ND1-OE2 3.69Å; H531-E535 WeakPolarHBondContact O-CB 3.23Å; H531-E535 PolarHBondContact O-N 2.93Å
532	K	78	Confident	79.3	Confident	56 Å²	56	53.3 Å²	53.3	24%	0.243	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-40.6	178.1	-74.4	-174	178.7	-179.1	0	111.4	F528 F529 E535 L536 D582 P587	F528-K532 PolarHBondContact O-N 3.46Å; F529-K532 PolarHBondContact O-N 3.17Å; K532-E535 PolarHBondContact O-N 3.26Å; K532-L536 WeakPolarHBondContact O-CB 3.4Å; K532-L536 PolarHBondContact O-N 2.9Å; K532-D582 IonicContact NZ-OD1 2.75Å; K532-D582 IonicContact NZ-OD2 2.75Å; K532-D582 PolarHBondContact NZ-OD2 2.79Å; K532-P587 HydrophobicContact CB-CG 3.71Å
533	K	77.4	Confident	78.9	Confident	44 Å²	44	55.9 Å²	55.9	19%	0.191	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-44.4	177	-170.6	-179.5	-177.7	-176.6	0	112.2	F529 L530 H531 S537 P587 L589 D593	F529-K533 WeakPolarHBondContact O-CB 3.43Å; F529-K533 PolarHBondContact O-N 2.97Å; L530-K533 PolarHBondContact O-N 2.86Å; H531-K533 VanDerWaalsContact C-N 3.3Å; H531-K533 PolarHBondContact O-N 3.47Å; K533-S537 WeakPolarHBondContact O-CB 3.49Å; K533-S537 PolarHBondContact O-N 3.49Å; K533-P587 HydrophobicContact CB-CB 3.94Å; K533-P587 HydrophobicContact CB-CG 4.34Å; K533-P587 HydrophobicContact CG-CB 4.35Å; K533-L589 HydrophobicContact CD-CD2 4.41Å; K533-L589 HydrophobicContact CG-CD2 3.88Å; K533-D593 WeakPolarHBondContact CE-OD2 3.45Å; K533-D593 IonicContact NZ-OD2 3.4Å; K533-D593 PolarHBondContact NZ-OD2 3.29Å
534	I	78.3	Confident	78.8	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-43.8	179.3	-67.4	163.7	0	0	0	110.7	V353 L355 V358 L530 H531 L536 S537 Q538	V353-I534 HydrophobicContact CB-CD1 4.33Å; L355-I534 HydrophobicContact CB-CG2 4.44Å; L355-I534 HydrophobicContact CD1-CB 4.22Å; L355-I534 HydrophobicContact CD1-CG2 4.03Å; V358-I534 HydrophobicContact CG2-CD1 3.78Å; L530-I534 HydrophobicContact CD1-CD1 3.96Å; L530-I534 HydrophobicContact CD1-CG1 4.31Å; L530-I534 HydrophobicContact CG-CD1 3.87Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 2.93Å; H531-I534 PolarHBondContact O-N 3.02Å; I534-L536 PolarHBondContact O-N 2.77Å; I534-S537 WeakPolarHBondContact O-CB 3.42Å; I534-S537 PolarHBondContact O-N 3.18Å; I534-Q538 WeakPolarHBondContact O-CG 3.32Å; I534-Q538 PolarHBondContact O-N 2.9Å
535	E	76.4	Confident	78.6	Confident	99 Å²	99	56.6 Å²	56.6	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-44.9	177.2	-177.6	174.9	-168.1	0	0	111.8	H531 K532 S537 Q538 N539	H531-E535 IonicContact CE1-OE2 2.62Å; H531-E535 PolarHBondContact CE1-OE2 3.41Å; H531-E535 IonicContact ND1-OE2 3.69Å; H531-E535 WeakPolarHBondContact O-CB 3.23Å; H531-E535 PolarHBondContact O-N 2.93Å; K532-E535 PolarHBondContact O-N 3.26Å; E535-S537 PolarHBondContact O-N 2.89Å; E535-Q538 PolarHBondContact O-N 2.73Å; E535-N539 WeakPolarHBondContact O-CB 3.21Å; E535-N539 PolarHBondContact O-N 2.72Å
536	L	75.3	Confident	78.4	Confident	35 Å²	35	55.7 Å²	55.7	18%	0.183	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-46.2	174	178.4	58.7	0	0	0	111.8	K532 I534 Q538 N539 I540 M569 P587 L589	K532-L536 WeakPolarHBondContact O-CB 3.4Å; K532-L536 PolarHBondContact O-N 2.9Å; I534-L536 PolarHBondContact O-N 2.77Å; L536-Q538 VanDerWaalsContact C-N 3.31Å; L536-Q538 PolarHBondContact O-N 3.43Å; L536-N539 PolarHBondContact O-N 3.28Å; L536-I540 HydrophobicContact CD1-CD1 3.87Å; L536-I540 HydrophobicContact CD1-CG1 4.21Å; L536-I540 HydrophobicContact CG-CD1 3.89Å; L536-I540 WeakPolarHBondContact O-CG1 3.45Å; L536-I540 PolarHBondContact O-N 3.25Å; L536-M569 HydrophobicContact CD1-CE 3.67Å; L536-M569 HydrophobicContact CD2-CE 3.95Å; L536-M569 HydrophobicContact CG-CE 4.29Å; L536-P587 WeakPolarHBondContact CD2-O 3.45Å; L536-L589 HydrophobicContact CD2-CG 4.27Å
537	S	73.8	Confident	78	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-43.5	176.8	-172.6	0	0	0	0	112	H352 K533 I534 E535 I540 E541 I597	H352-S537 PolarHBondContact CE1-OG 2.95Å; H352-S537 PolarHBondContact NE2-OG 2.91Å; K533-S537 WeakPolarHBondContact O-CB 3.49Å; K533-S537 PolarHBondContact O-N 3.49Å; I534-S537 WeakPolarHBondContact O-CB 3.42Å; I534-S537 PolarHBondContact O-N 3.18Å; E535-S537 PolarHBondContact O-N 2.89Å; S537-I540 PolarHBondContact O-N 3.36Å; S537-E541 WeakPolarHBondContact O-CB 3.32Å; S537-E541 PolarHBondContact O-N 3.34Å; S537-I597 WeakPolarHBondContact OG-CD1 3.16Å
538	Q	79	Confident	77.7	Confident	77 Å²	77	55.8 Å²	55.8	36%	0.36	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-41.1	177.7	-73.1	178.7	-18.9	0	0	112.1	I534 E535 L536 E541 T542	I534-Q538 WeakPolarHBondContact O-CG 3.32Å; I534-Q538 PolarHBondContact O-N 2.9Å; E535-Q538 PolarHBondContact O-N 2.73Å; L536-Q538 VanDerWaalsContact C-N 3.31Å; L536-Q538 PolarHBondContact O-N 3.43Å; Q538-E541 WeakPolarHBondContact O-CB 3.41Å; Q538-E541 PolarHBondContact O-N 2.86Å; Q538-T542 WeakPolarHBondContact O-CG2 3.44Å; Q538-T542 PolarHBondContact O-N 2.87Å; Q538-T542 PolarHBondContact O-OG1 2.75Å
539	N	75.5	Confident	77.2	Confident	100 Å²	100	54.3 Å²	54.3	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-66.7	-37.2	177.8	-170.2	16.2	0	0	0	112.5	E535 L536 T542 R543	E535-N539 WeakPolarHBondContact O-CB 3.21Å; E535-N539 PolarHBondContact O-N 2.72Å; L536-N539 PolarHBondContact O-N 3.28Å; N539-T542 WeakPolarHBondContact CA-OG1 3.26Å; N539-T542 PolarHBondContact O-OG1 2.75Å; N539-R543 WeakPolarHBondContact O-CB 3.43Å; N539-R543 PolarHBondContact O-N 2.86Å; N539-R543 VanDerWaalsContact O-N 3.09Å
540	I	75.3	Confident	76.7	Confident	50 Å²	50	56.3 Å²	56.3	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-43.7	172.6	-69.8	166.3	0	0	0	110.1	L536 S537 T542 R543 L544 L589 I597	L536-I540 HydrophobicContact CD1-CD1 3.87Å; L536-I540 HydrophobicContact CD1-CG1 4.21Å; L536-I540 HydrophobicContact CG-CD1 3.89Å; L536-I540 WeakPolarHBondContact O-CG1 3.45Å; L536-I540 PolarHBondContact O-N 3.25Å; S537-I540 PolarHBondContact O-N 3.36Å; I540-T542 PolarHBondContact O-N 2.75Å; I540-R543 PolarHBondContact O-N 3.29Å; I540-L544 HydrophobicContact CG2-CD1 3.69Å; I540-L544 HydrophobicContact CG2-CG 4.17Å; I540-L544 VanDerWaalsContact O-CB 3.3Å; I540-L544 WeakPolarHBondContact O-CB 3.39Å; I540-L544 VanDerWaalsContact O-CG 3.29Å; I540-L544 WeakPolarHBondContact O-CG 3.21Å; I540-L544 PolarHBondContact O-N 2.88Å; I540-L589 HydrophobicContact CD1-CD1 3.5Å; I540-L589 VanDerWaalsContact CD1-CD1 3.5Å; I540-I597 HydrophobicContact CG2-CG2 4.2Å
541	E	75.3	Confident	76	Confident	21 Å²	21	58.1 Å²	58.1	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-46.5	177	-168.2	-175.3	147.2	0	0	112	S537 Q538 L544 K545 I597 K600 V601	S537-E541 WeakPolarHBondContact O-CB 3.32Å; S537-E541 PolarHBondContact O-N 3.34Å; Q538-E541 WeakPolarHBondContact O-CB 3.41Å; Q538-E541 PolarHBondContact O-N 2.86Å; E541-L544 PolarHBondContact O-N 2.81Å; E541-K545 HydrophobicContact CG-CD 4.37Å; E541-K545 WeakPolarHBondContact O-CB 3.23Å; E541-K545 VanDerWaalsContact O-CG 3.3Å; E541-K545 WeakPolarHBondContact O-CG 3.26Å; E541-K545 PolarHBondContact O-N 3.31Å; E541-K545 IonicContact OE1-NZ 3.54Å; E541-K545 PolarHBondContact OE1-NZ 2.87Å; E541-I597 HydrophobicContact CB-CG2 4.1Å; E541-I597 HydrophobicContact CG-CG2 4.47Å; E541-K600 IonicContact OE1-NZ 3.44Å; E541-K600 PolarHBondContact OE1-NZ 2.91Å; E541-K600 VanDerWaalsContact OE1-NZ 3.09Å; E541-K600 IonicContact OE2-NZ 3.06Å; E541-K600 PolarHBondContact OE2-NZ 3.45Å; E541-V601 HydrophobicContact CB-CG2 4.36Å; E541-V601 HydrophobicContact CG-CG2 3.55Å
542	T	77.1	Confident	75.2	Confident	71 Å²	71	60 Å²	60	44%	0.436	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-42.1	178.6	52.7	0	0	0	0	112	Q538 N539 I540 K545 Q546	Q538-T542 WeakPolarHBondContact O-CG2 3.44Å; Q538-T542 PolarHBondContact O-N 2.87Å; Q538-T542 PolarHBondContact O-OG1 2.75Å; N539-T542 WeakPolarHBondContact CA-OG1 3.26Å; N539-T542 PolarHBondContact O-OG1 2.75Å; I540-T542 PolarHBondContact O-N 2.75Å; T542-K545 WeakPolarHBondContact O-CB 3.25Å; T542-K545 PolarHBondContact O-N 2.83Å; T542-Q546 WeakPolarHBondContact O-CG 3.44Å; T542-Q546 PolarHBondContact O-N 2.85Å
543	R	75.4	Confident	74.3	Confident	150 Å²	150	62.9 Å²	62.9	57%	0.566	32%	0.321	S	S	*	.	H	α-helix	trans	-69.4	-38.8	179	-168.7	166.5	-180	154.6	-0.7	112.5	N539 I540 Q546 T547	N539-R543 WeakPolarHBondContact O-CB 3.43Å; N539-R543 PolarHBondContact O-N 2.86Å; N539-R543 VanDerWaalsContact O-N 3.09Å; I540-R543 PolarHBondContact O-N 3.29Å; R543-Q546 PolarHBondContact O-N 2.79Å; R543-T547 WeakPolarHBondContact O-CB 3.42Å; R543-T547 PolarHBondContact O-N 2.74Å; R543-T547 PolarHBondContact O-OG1 3.4Å
544	L	79.1	Confident	73.4	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-42.1	172.3	-76.1	174.2	0	0	0	111.3	I540 E541 Q546 T547 F548 I562 I597 M598 V601	I540-L544 HydrophobicContact CG2-CD1 3.69Å; I540-L544 HydrophobicContact CG2-CG 4.17Å; I540-L544 VanDerWaalsContact O-CB 3.3Å; I540-L544 WeakPolarHBondContact O-CB 3.39Å; I540-L544 VanDerWaalsContact O-CG 3.29Å; I540-L544 WeakPolarHBondContact O-CG 3.21Å; I540-L544 PolarHBondContact O-N 2.88Å; E541-L544 PolarHBondContact O-N 2.81Å; L544-Q546 VanDerWaalsContact C-N 3.34Å; L544-Q546 PolarHBondContact O-N 3.09Å; L544-T547 PolarHBondContact O-N 3.38Å; L544-F548 HydrophobicContact CB-CE2 4.39Å; L544-F548 HydrophobicContact CD2-CE2 4.33Å; L544-F548 HydrophobicContact CD2-CZ 4.2Å; L544-F548 WeakPolarHBondContact O-CB 3.49Å; L544-F548 PolarHBondContact O-N 2.96Å; L544-I562 HydrophobicContact CD2-CD1 3.7Å; L544-I597 HydrophobicContact CD1-CG2 4.01Å; L544-M598 HydrophobicContact CD1-CG 3.78Å; L544-M598 HydrophobicContact CD2-CE 4.31Å; L544-V601 HydrophobicContact CB-CB 4.47Å; L544-V601 HydrophobicContact CB-CG1 4.21Å; L544-V601 HydrophobicContact CB-CG2 4.04Å; L544-V601 HydrophobicContact CD1-CG2 4.5Å
545	K	79.8	Confident	72.1	Confident	60 Å²	60	70.5 Å²	70.5	26%	0.261	37%	0.373	S	S	.	.	H	α-helix	trans	-54.8	-50.2	173.5	-81.9	175.7	171.5	169.9	0	110.9	E541 T542 T547 S549 V601 D604	E541-K545 HydrophobicContact CG-CD 4.37Å; E541-K545 WeakPolarHBondContact O-CB 3.23Å; E541-K545 VanDerWaalsContact O-CG 3.3Å; E541-K545 WeakPolarHBondContact O-CG 3.26Å; E541-K545 PolarHBondContact O-N 3.31Å; E541-K545 IonicContact OE1-NZ 3.54Å; E541-K545 PolarHBondContact OE1-NZ 2.87Å; T542-K545 WeakPolarHBondContact O-CB 3.25Å; T542-K545 PolarHBondContact O-N 2.83Å; K545-T547 VanDerWaalsContact C-N 3.34Å; K545-T547 PolarHBondContact O-N 3.19Å; K545-S549 WeakPolarHBondContact O-CB 3.42Å; K545-S549 PolarHBondContact O-N 3.37Å; K545-S549 PolarHBondContact O-OG 3.44Å; K545-V601 HydrophobicContact CB-CG1 4.3Å; K545-V601 HydrophobicContact CG-CB 4.48Å; K545-V601 HydrophobicContact CG-CG1 3.55Å; K545-V601 HydrophobicContact CG-CG2 4.21Å; K545-D604 WeakPolarHBondContact CE-OD2 3.41Å; K545-D604 IonicContact NZ-OD2 3.11Å; K545-D604 PolarHBondContact NZ-OD2 2.59Å
546	Q	77.9	Confident	71	Confident	130 Å²	130	72.4 Å²	72.4	61%	0.607	39%	0.386	S	S	*	.	H	α-helix	trans	-60.2	-43	177	-71.7	171.9	-14.2	0	0	112.5	T542 R543 L544 N550	T542-Q546 WeakPolarHBondContact O-CG 3.44Å; T542-Q546 PolarHBondContact O-N 2.85Å; R543-Q546 PolarHBondContact O-N 2.79Å; L544-Q546 VanDerWaalsContact C-N 3.34Å; L544-Q546 PolarHBondContact O-N 3.09Å; Q546-N550 PolarHBondContact O-N 2.9Å
547	T	74.7	Confident	69.9	Low	57 Å²	57	73.7 Å²	73.7	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-69.7	-46	-177	-56.3	0	0	0	0	111.4	R543 L544 K545 N550 I551	R543-T547 WeakPolarHBondContact O-CB 3.42Å; R543-T547 PolarHBondContact O-N 2.74Å; R543-T547 PolarHBondContact O-OG1 3.4Å; L544-T547 PolarHBondContact O-N 3.38Å; K545-T547 VanDerWaalsContact C-N 3.34Å; K545-T547 PolarHBondContact O-N 3.19Å; T547-N550 PolarHBondContact O-N 3.42Å; T547-I551 HydrophobicContact CG2-CD1 3.84Å; T547-I551 WeakPolarHBondContact O-CD1 3.12Å; T547-I551 VanDerWaalsContact O-CG1 3.3Å; T547-I551 WeakPolarHBondContact O-CG1 3.21Å; T547-I551 PolarHBondContact O-N 3.11Å
548	F	75.2	Confident	69.1	Low	4 Å²	4	79.7 Å²	79.7	2%	0.018	43%	0.427	C	S	.	.	H	α-helix	trans	-72.7	-33.5	178.7	-71.4	-29.9	0	0	0	113.5	L544 N550 I551 L552 V560 I562 V601 V602 L605 I630	L544-F548 HydrophobicContact CB-CE2 4.39Å; L544-F548 HydrophobicContact CD2-CE2 4.33Å; L544-F548 HydrophobicContact CD2-CZ 4.2Å; L544-F548 WeakPolarHBondContact O-CB 3.49Å; L544-F548 PolarHBondContact O-N 2.96Å; F548-N550 PolarHBondContact O-N 2.86Å; F548-I551 PolarHBondContact O-N 3.29Å; F548-I551 VanDerWaalsContact O-N 3.13Å; F548-L552 HydrophobicContact CB-CD1 4.2Å; F548-L552 WeakPolarHBondContact O-CB 3.47Å; F548-L552 WeakPolarHBondContact O-CG 3.5Å; F548-L552 PolarHBondContact O-N 3.36Å; F548-V560 HydrophobicContact CE1-CG1 4.27Å; F548-I562 HydrophobicContact CD1-CD1 4.33Å; F548-I562 HydrophobicContact CE1-CD1 3.2Å; F548-I562 HydrophobicContact CE1-CG1 4.31Å; F548-I562 HydrophobicContact CE2-CD1 4.48Å; F548-I562 HydrophobicContact CZ-CD1 3.28Å; F548-V601 HydrophobicContact CD2-CB 4.25Å; F548-V601 HydrophobicContact CD2-CG1 3.57Å; F548-V601 HydrophobicContact CE2-CB 4.31Å; F548-V601 HydrophobicContact CE2-CG1 4.09Å; F548-V602 HydrophobicContact CD2-CG2 4.1Å; F548-V602 HydrophobicContact CE2-CG2 3.77Å; F548-V602 HydrophobicContact CZ-CG2 4.35Å; F548-L605 HydrophobicContact CB-CD1 3.28Å; F548-L605 HydrophobicContact CD2-CD1 4.21Å; F548-L605 HydrophobicContact CG-CD1 4.27Å; F548-I630 HydrophobicContact CD1-CD1 4.31Å; F548-I630 HydrophobicContact CE1-CD1 3.23Å; F548-I630 HydrophobicContact CE2-CD1 4.25Å; F548-I630 HydrophobicContact CZ-CD1 3.23Å
549	S	74.6	Confident	68.1	Low	49 Å²	49	82 Å²	82	34%	0.343	44%	0.436	S	S	.	.	H	α-helix	trans	-55.7	-40.3	173	-72.4	0	0	0	0	111.3	K545 T553 L605	K545-S549 WeakPolarHBondContact O-CB 3.42Å; K545-S549 PolarHBondContact O-N 3.37Å; K545-S549 PolarHBondContact O-OG 3.44Å; S549-T553 WeakPolarHBondContact O-CG2 3.48Å; S549-T553 PolarHBondContact O-N 3.39Å; S549-T553 PolarHBondContact O-OG1 2.86Å; S549-L605 WeakPolarHBondContact OG-CD2 3.47Å
550	N	69.8	Low	67.5	Low	124 Å²	124	78.1 Å²	78.1	66%	0.663	42%	0.416	S	S	*	.	H	α-helix	trans	-72.1	-32	178.4	-64.8	-8.7	0	0	0	113.2	Q546 T547 F548 T553	Q546-N550 PolarHBondContact O-N 2.9Å; T547-N550 PolarHBondContact O-N 3.42Å; F548-N550 PolarHBondContact O-N 2.86Å; N550-T553 PolarHBondContact O-OG1 2.92Å
551	I	67.5	Low	66.9	Low	43 Å²	43	79.1 Å²	79.1	22%	0.221	43%	0.425	C	S	.	.	H	α-helix	trans	-84.4	-44.2	-175.7	-65.9	167.9	0	0	0	111.4	T547 F548 T553 D554 V557 V560	T547-I551 HydrophobicContact CG2-CD1 3.84Å; T547-I551 WeakPolarHBondContact O-CD1 3.12Å; T547-I551 VanDerWaalsContact O-CG1 3.3Å; T547-I551 WeakPolarHBondContact O-CG1 3.21Å; T547-I551 PolarHBondContact O-N 3.11Å; F548-I551 PolarHBondContact O-N 3.29Å; F548-I551 VanDerWaalsContact O-N 3.13Å; I551-T553 PolarHBondContact O-N 3.16Å; I551-D554 WeakPolarHBondContact O-CB 3.01Å; I551-D554 PolarHBondContact O-N 3.02Å; I551-V557 HydrophobicContact CG2-CB 4.15Å; I551-V557 HydrophobicContact CG2-CG1 3.92Å; I551-V557 HydrophobicContact CG2-CG2 4.22Å; I551-V560 HydrophobicContact CD1-CG1 3.82Å; I551-V560 HydrophobicContact CG2-CG1 4.49Å; I551-V560 HydrophobicContact CG2-CG2 3.62Å
552	L	62.9	Low	66.5	Low	70 Å²	70	79.5 Å²	79.5	37%	0.366	43%	0.427	S	S	.	.	H	α-helix	trans	-70.5	-18.8	-179	-69.3	172	0	0	0	112.5	F548 D554 L605 I609	F548-L552 HydrophobicContact CB-CD1 4.2Å; F548-L552 WeakPolarHBondContact O-CB 3.47Å; F548-L552 WeakPolarHBondContact O-CG 3.5Å; F548-L552 PolarHBondContact O-N 3.36Å; L552-D554 VanDerWaalsContact C-N 3.29Å; L552-L605 HydrophobicContact CD1-CB 4.12Å; L552-L605 HydrophobicContact CD1-CD1 4.08Å; L552-I609 HydrophobicContact CD2-CD1 4.14Å
553	T	59.5	Low	65.7	Low	116 Å²	116	82.5 Å²	82.5	71%	0.712	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.8	168.9	47.9	0	0	0	0	113.2	S549 N550 I551	S549-T553 WeakPolarHBondContact O-CG2 3.48Å; S549-T553 PolarHBondContact O-N 3.39Å; S549-T553 PolarHBondContact O-OG1 2.86Å; N550-T553 PolarHBondContact O-OG1 2.92Å; I551-T553 PolarHBondContact O-N 3.16Å
554	D	59.1	Low	64.9	Low	90 Å²	90	76.6 Å²	76.6	48%	0.481	42%	0.422	S	S	.	.	S	Bend	trans	-91.2	107.2	176.4	-167	-13.8	0	0	0	109.5	I551 L552 N556 V557	I551-D554 WeakPolarHBondContact O-CB 3.01Å; I551-D554 PolarHBondContact O-N 3.02Å; L552-D554 VanDerWaalsContact C-N 3.29Å; D554-N556 PolarHBondContact O-N 2.81Å; D554-V557 HydrophobicContact CB-CG2 4.25Å
555	S	51.1	Low	63.7	Low	115 Å²	115	77.1 Å²	77.1	80%	0.804	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-4.8	-171.8	48.2	0	0	0	0	114.9
556	N	52.6	Low	62.3	Low	140 Å²	140	81.1 Å²	81.1	75%	0.749	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	4.4	-175.1	-75.2	-19.7	0	0	0	115.1	D554	D554-N556 PolarHBondContact O-N 2.81Å
557	V	53.6	Low	60.4	Low	62 Å²	62	83.7 Å²	83.7	38%	0.376	46%	0.459	S	S	.	.			trans	-96.9	100.7	-174.5	-171.1	0	0	0	0	112.5	I551 D554 F559 V560	I551-V557 HydrophobicContact CG2-CB 4.15Å; I551-V557 HydrophobicContact CG2-CG1 3.92Å; I551-V557 HydrophobicContact CG2-CG2 4.22Å; D554-V557 HydrophobicContact CB-CG2 4.25Å; V557-F559 WeakPolarHBondContact CG1-O 3.33Å; V557-V560 HydrophobicContact CG1-CG2 3.73Å
558	N	56.3	Low	58.7	Low	130 Å²	130	86.5 Å²	86.5	70%	0.695	47%	0.471	S	S	*	.	S	Bend	trans	-80.5	-24.5	174.8	-76	-23.7	0	0	0	114.3
559	F	58.7	Low	56.9	Low	125 Å²	125	89.5 Å²	89.5	55%	0.548	49%	0.486	S	S	.	.			trans	-140.6	126.1	-173.8	-69.6	-82.5	0	0	0	110	V557 M631	V557-F559 WeakPolarHBondContact CG1-O 3.33Å; F559-M631 HydrophobicContact CD1-CB 4.46Å; F559-M631 HydrophobicContact CD1-CG 4.03Å; F559-M631 HydrophobicContact CE1-CB 4.18Å; F559-M631 HydrophobicContact CE1-CG 3.98Å; F559-M631 HydrophobicContact CE1-SD 4.3Å
560	V	62.9	Low	55	Low	18 Å²	18	94.1 Å²	94.1	11%	0.109	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.5	175.5	-172.6	0	0	0	0	109	F548 I551 V557 I562 I630	F548-V560 HydrophobicContact CE1-CG1 4.27Å; I551-V560 HydrophobicContact CD1-CG1 3.82Å; I551-V560 HydrophobicContact CG2-CG1 4.49Å; I551-V560 HydrophobicContact CG2-CG2 3.62Å; V557-V560 HydrophobicContact CG1-CG2 3.73Å; V560-I562 HydrophobicContact CG1-CG1 4.22Å; V560-I630 HydrophobicContact CB-CB 4.1Å; V560-I630 HydrophobicContact CB-CD1 4.18Å; V560-I630 HydrophobicContact CB-CG1 4.36Å; V560-I630 HydrophobicContact CG1-CD1 4.48Å; V560-I630 PolarHBondContact O-N 3Å
561	V	62.9	Low	53.5	Low	72 Å²	72	94.1 Å²	94.1	44%	0.436	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.2	173	-174.2	0	0	0	0	108.4	Q563 Y628 Y629	V561-Q563 HydrophobicContact CG1-CG 4.37Å; V561-Y628 WeakPolarHBondContact CA-O 3.29Å; V561-Y629 HydrophobicContact CB-CE1 4.48Å; V561-Y629 HydrophobicContact CG1-CE1 4.19Å; V561-Y629 HydrophobicContact CG2-CD1 3.7Å; V561-Y629 HydrophobicContact CG2-CE1 3.52Å
562	I	66.2	Low	52.1	Low	28 Å²	28	100.7 Å²	100.7	14%	0.144	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.8	172.7	-66.9	172.5	0	0	0	108.3	L544 F548 V560 M598 A627 Y628 I630	L544-I562 HydrophobicContact CD2-CD1 3.7Å; F548-I562 HydrophobicContact CD1-CD1 4.33Å; F548-I562 HydrophobicContact CE1-CD1 3.2Å; F548-I562 HydrophobicContact CE1-CG1 4.31Å; F548-I562 HydrophobicContact CE2-CD1 4.48Å; F548-I562 HydrophobicContact CZ-CD1 3.28Å; V560-I562 HydrophobicContact CG1-CG1 4.22Å; I562-M598 HydrophobicContact CB-CE 3.77Å; I562-M598 HydrophobicContact CD1-CE 3.28Å; I562-M598 HydrophobicContact CG1-CE 4.06Å; I562-M598 HydrophobicContact CG2-CE 3.94Å; I562-A627 WeakPolarHBondContact O-CA 3.45Å; I562-Y628 PolarHBondContact N-O 3.3Å; I562-Y628 PolarHBondContact O-N 2.81Å; I562-I630 HydrophobicContact CD1-CD1 4.38Å
563	Q	59.2	Low	51	Low	134 Å²	134	101.8 Å²	101.8	63%	0.626	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.5	169.9	-69.7	-176.8	-15.6	0	0	109.2	V561 S626 A627	V561-Q563 HydrophobicContact CG1-CG 4.37Å; Q563-S626 CarbonylContact C-O 3.55Å; Q563-S626 WeakPolarHBondContact CA-O 3.32Å; Q563-A627 HydrophobicContact CG-CB 4.24Å
564	G	59.2	Low	50.2	Low	26 Å²	26	102.6 Å²	102.6	27%	0.268	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.2	170.1	0	0	0	0	0	109.9	S626	G564-S626 PolarHBondContact N-O 3.43Å; G564-S626 PolarHBondContact O-N 3.3Å; G564-S626 PolarHBondContact O-OG 3.47Å
565	G	53.8	Low	49.4	Very low	26 Å²	26	106.4 Å²	106.4	27%	0.268	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.4	170.2	0	0	0	0	0	111.1	R567	G565-R567 PolarHBondContact O-N 2.87Å
566	N	49.8	Very low	49.1	Very low	145 Å²	145	107 Å²	107	78%	0.775	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-66.4	-0.6	172.5	-142.1	2.8	0	0	0	112.8	G624	N566-G624 PolarHBondContact N-O 3.42Å
567	R	38.1	Very low	48.3	Very low	184 Å²	184	102.8 Å²	102.8	69%	0.694	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-83.5	-13.5	-171.6	-66.4	-171.4	-177	-166.7	0.7	115.7	G565 M569 K570	G565-R567 PolarHBondContact O-N 2.87Å; R567-M569 PolarHBondContact O-N 2.99Å; R567-K570 PolarHBondContact O-N 3.06Å
568	I	39	Very low	47.7	Very low	116 Å²	116	105.4 Å²	105.4	60%	0.595	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-63	-14.8	-172.9	-63.4	178.8	0	0	0	113.1
569	M	37.4	Very low	46.8	Very low	67 Å²	67	105.3 Å²	105.3	33%	0.33	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-90.5	-13.9	175.8	-73.7	-67	-176.8	0	0	115.6	L536 R567 L586	L536-M569 HydrophobicContact CD1-CE 3.67Å; L536-M569 HydrophobicContact CD2-CE 3.95Å; L536-M569 HydrophobicContact CG-CE 4.29Å; R567-M569 PolarHBondContact O-N 2.99Å; M569-L586 HydrophobicContact CB-CD2 4.49Å; M569-L586 HydrophobicContact CE-CD2 4.46Å; M569-L586 HydrophobicContact CG-CD2 4.23Å; M569-L586 HydrophobicContact SD-CD2 3.79Å
570	K	35.9	Very low	45.7	Very low	146 Å²	146	106.6 Å²	106.6	64%	0.635	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-43.9	-177.9	-77.9	-171.9	176	-177.1	0	112.7	R567 N574	R567-K570 PolarHBondContact O-N 3.06Å; K570-N574 PolarHBondContact O-N 2.91Å; K570-N574 PolarHBondContact O-ND2 2.99Å; K570-N574 PolarHBondContact O-OD1 3.37Å
571	D	37.1	Very low	44.5	Very low	123 Å²	123	116.4 Å²	116.4	66%	0.658	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-31.7	-166.7	-63.1	-23.2	0	0	0	114.2
572	K	39	Very low	43.3	Very low	182 Å²	182	116.2 Å²	116.2	79%	0.791	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-20.3	179.8	-140.3	178.9	-173.9	-176.5	0	113.6
573	Y	40.7	Very low	41.9	Very low	93 Å²	93	122.7 Å²	122.7	37%	0.365	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-17.6	-177.7	-113.9	-87.3	0	0	0	113.4	Q575 V576 A577	Y573-Q575 PolarHBondContact O-N 2.93Å; Y573-V576 PolarHBondContact O-N 2.79Å; Y573-A577 HydrophobicContact CD1-CB 3.83Å; Y573-A577 HydrophobicContact CE1-CB 4Å
574	N	42.1	Very low	40.9	Very low	132 Å²	132	122 Å²	122	71%	0.706	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-11.2	172.5	-76.6	-15.8	0	0	0	113.7	K570	K570-N574 PolarHBondContact O-N 2.91Å; K570-N574 PolarHBondContact O-ND2 2.99Å; K570-N574 PolarHBondContact O-OD1 3.37Å
575	Q	41.6	Very low	40	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-14.4	179.8	-74	-176.1	-13.3	0	0	115.6	Y573	Y573-Q575 PolarHBondContact O-N 2.93Å
576	V	44.5	Very low	39.4	Very low	129 Å²	129	127.7 Å²	127.7	78%	0.782	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	-11.6	-167.6	-170	0	0	0	0	116.6	Y573	Y573-V576 PolarHBondContact O-N 2.79Å
577	A	37.7	Very low	39.6	Very low	50 Å²	50	121.1 Å²	121.1	41%	0.413	59%	0.59	S	S	.	*			trans	-109.8	103.8	-177.5	0	0	0	0	0	113.2	Y573 D579	Y573-A577 HydrophobicContact CD1-CB 3.83Å; Y573-A577 HydrophobicContact CE1-CB 4Å; A577-D579 VanDerWaalsContact C-N 3.31Å; A577-D579 PolarHBondContact O-N 3.05Å
578	S	40.9	Very low	40.7	Very low	118 Å²	118	116.7 Å²	116.7	83%	0.825	59%	0.588	S	S	*	*			trans	-78.7	1	176.9	-173.5	0	0	0	0	114.7
579	D	36.4	Very low	41.8	Very low	128 Å²	128	112.3 Å²	112.3	68%	0.684	57%	0.565	S	S	*	*			trans	-117.8	124.3	-174.2	-68.2	-30.8	0	0	0	113.7	A577 W581 D582	A577-D579 VanDerWaalsContact C-N 3.31Å; A577-D579 PolarHBondContact O-N 3.05Å; D579-W581 PolarHBondContact O-N 3.27Å; D579-W581 VanDerWaalsContact O-N 3.1Å; D579-D582 PolarHBondContact O-N 2.88Å
580	Q	36	Very low	43.4	Very low	151 Å²	151	116.5 Å²	116.5	71%	0.706	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-15.6	-170.5	-177	154.5	-6.2	0	0	115.5
581	W	38	Very low	44.9	Very low	224 Å²	224	114.3 Å²	114.3	85%	0.848	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-10.1	-177	-79.6	59.8	0	0	0	114.6	D579 R583	D579-W581 PolarHBondContact O-N 3.27Å; D579-W581 VanDerWaalsContact O-N 3.1Å; W581-R583 VanDerWaalsContact C-N 3.32Å; W581-R583 PolarHBondContact O-N 2.7Å
582	D	37.1	Very low	46.4	Very low	69 Å²	69	117.9 Å²	117.9	37%	0.369	58%	0.578	S	S	.	*	S	Bend	trans	-85.2	-1.3	-176.6	-131.6	7.8	0	0	0	113.3	K532 D579	K532-D582 IonicContact NZ-OD1 2.75Å; K532-D582 IonicContact NZ-OD2 2.75Å; K532-D582 PolarHBondContact NZ-OD2 2.79Å; D579-D582 PolarHBondContact O-N 2.88Å
583	R	36.9	Very low	48	Very low	164 Å²	164	111.4 Å²	111.4	62%	0.619	55%	0.552	S	S	*	*	S	Bend	trans	-79.9	-34.6	-175.8	-75.4	-166.5	-83.7	-116.4	4.6	115.2	W581	W581-R583 VanDerWaalsContact C-N 3.32Å; W581-R583 PolarHBondContact O-N 2.7Å
584	N	39	Very low	49.6	Very low	119 Å²	119	108.7 Å²	108.7	64%	0.636	54%	0.543	S	S	*	.	S	Bend	trans	-94.3	-1.3	-174.6	-71.5	-5.7	0	0	0	114.2
585	L	39	Very low	51.2	Low	112 Å²	112	103.8 Å²	103.8	59%	0.586	52%	0.517	S	S	*	.			trans	-115.1	12.4	-174.1	-87.9	142.3	0	0	0	113.7	F529 P587	F529-L585 WeakPolarHBondContact CD2-O 3.38Å; F529-L585 WeakPolarHBondContact CE2-O 3.46Å; L585-P587 WeakPolarHBondContact O-CD 3.47Å
586	L	41.9	Very low	52.8	Low	59 Å²	59	98.6 Å²	98.6	31%	0.309	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-66.2	121.2	176.2	-88	144.4	0	0	0	110.2	M569 S588	M569-L586 HydrophobicContact CB-CD2 4.49Å; M569-L586 HydrophobicContact CE-CD2 4.46Å; M569-L586 HydrophobicContact CG-CD2 4.23Å; M569-L586 HydrophobicContact SD-CD2 3.79Å; L586-S588 PolarHBondContact O-N 2.85Å; L586-S588 VanDerWaalsContact O-N 3.14Å
587	P	52.7	Low	54.4	Low	8 Å²	8	92.7 Å²	92.7	5%	0.052	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-63.7	116.5	179.6	19.6	-27.7	0	0	0	110.8	F529 K532 K533 L536 L585	F529-P587 HydrophobicContact CD2-CB 4.07Å; F529-P587 HydrophobicContact CD2-CG 4.32Å; F529-P587 HydrophobicContact CE1-CB 4.12Å; F529-P587 VanDerWaalsContact CE2-CA 3.48Å; F529-P587 HydrophobicContact CE2-CB 3.51Å; F529-P587 HydrophobicContact CE2-CG 4.19Å; F529-P587 HydrophobicContact CZ-CB 3.55Å; K532-P587 HydrophobicContact CB-CG 3.71Å; K533-P587 HydrophobicContact CB-CB 3.94Å; K533-P587 HydrophobicContact CB-CG 4.34Å; K533-P587 HydrophobicContact CG-CB 4.35Å; L536-P587 WeakPolarHBondContact CD2-O 3.45Å; L585-P587 WeakPolarHBondContact O-CD 3.47Å
588	S	61.8	Low	56.3	Low	91 Å²	91	90.4 Å²	90.4	64%	0.636	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-86.9	140.8	163.6	59.3	0	0	0	0	109.8	L586	L586-S588 PolarHBondContact O-N 2.85Å; L586-S588 VanDerWaalsContact O-N 3.14Å
589	L	62.9	Low	58.2	Low	23 Å²	23	88.6 Å²	88.6	12%	0.12	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-78.8	135.3	168.3	-69	-177.5	0	0	0	108.5	K533 L536 I540 D593 I594 I597	K533-L589 HydrophobicContact CD-CD2 4.41Å; K533-L589 HydrophobicContact CG-CD2 3.88Å; L536-L589 HydrophobicContact CD2-CG 4.27Å; I540-L589 HydrophobicContact CD1-CD1 3.5Å; I540-L589 VanDerWaalsContact CD1-CD1 3.5Å; L589-D593 HydrophobicContact CB-CB 4.15Å; L589-D593 HydrophobicContact CD2-CB 4.17Å; L589-I594 HydrophobicContact CB-CD1 4.3Å; L589-I594 HydrophobicContact CB-CG1 3.85Å; L589-I594 HydrophobicContact CD1-CG1 4.38Å; L589-I597 HydrophobicContact CD1-CD1 3.65Å
590	K	70.3	Confident	60.2	Low	156 Å²	156	86.5 Å²	86.5	68%	0.678	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-69.7	154.8	172.3	-65.3	-175.5	178.3	-176.6	0	108.9	R592 D593 I594	K590-R592 PolarHBondContact O-N 3.4Å; K590-R592 VanDerWaalsContact O-N 3.12Å; K590-D593 PolarHBondContact N-OD2 3.36Å; K590-D593 WeakPolarHBondContact O-CA 3.27Å; K590-D593 VanDerWaalsContact O-CB 3.31Å; K590-D593 WeakPolarHBondContact O-CB 3.39Å; K590-D593 PolarHBondContact O-N 2.86Å; K590-I594 PolarHBondContact O-N 3.48Å; K590-I594 VanDerWaalsContact O-N 3.12Å
591	Q	68.1	Low	62.2	Low	100 Å²	100	79.3 Å²	79.3	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-44.4	-46.2	173.7	176.3	-172.9	25.1	0	0	112.9	D593 I594 I595 E617	Q591-D593 VanDerWaalsContact C-N 3.33Å; Q591-D593 PolarHBondContact O-N 3.31Å; Q591-I594 PolarHBondContact O-N 2.66Å; Q591-I595 HydrophobicContact CG-CD1 3.99Å; Q591-I595 WeakPolarHBondContact O-CG1 3.12Å; Q591-I595 PolarHBondContact O-N 3.25Å; Q591-E617 WeakPolarHBondContact CG-OE2 3.39Å; Q591-E617 PolarHBondContact NE2-OE2 2.94Å
592	R	68.6	Low	64.1	Low	197 Å²	197	69 Å²	69	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-62	-39.2	178.1	-63.2	-176.5	-173.1	169.7	2.4	112.7	K590 I594 I595 D596	K590-R592 PolarHBondContact O-N 3.4Å; K590-R592 VanDerWaalsContact O-N 3.12Å; R592-I594 VanDerWaalsContact C-N 3.32Å; R592-I594 PolarHBondContact O-N 2.87Å; R592-I595 PolarHBondContact O-N 3.31Å; R592-D596 WeakPolarHBondContact O-CB 3.4Å; R592-D596 PolarHBondContact O-N 3.22Å
593	D	71.4	Confident	66	Low	46 Å²	46	67.3 Å²	67.3	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-40.9	177.9	-59.5	-23.3	0	0	0	110	K533 L589 K590 Q591 I597	K533-D593 WeakPolarHBondContact CE-OD2 3.45Å; K533-D593 IonicContact NZ-OD2 3.4Å; K533-D593 PolarHBondContact NZ-OD2 3.29Å; L589-D593 HydrophobicContact CB-CB 4.15Å; L589-D593 HydrophobicContact CD2-CB 4.17Å; K590-D593 PolarHBondContact N-OD2 3.36Å; K590-D593 WeakPolarHBondContact O-CA 3.27Å; K590-D593 VanDerWaalsContact O-CB 3.31Å; K590-D593 WeakPolarHBondContact O-CB 3.39Å; K590-D593 PolarHBondContact O-N 2.86Å; Q591-D593 VanDerWaalsContact C-N 3.33Å; Q591-D593 PolarHBondContact O-N 3.31Å; D593-I597 WeakPolarHBondContact O-CD1 3.48Å; D593-I597 WeakPolarHBondContact O-CG1 3.28Å; D593-I597 PolarHBondContact O-N 2.99Å
594	I	74.1	Confident	67.7	Low	36 Å²	36	63.8 Å²	63.8	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-47.8	178.5	-62.1	169.5	0	0	0	110.7	L589 K590 Q591 R592 D596 I597 M598 Y628	L589-I594 HydrophobicContact CB-CD1 4.3Å; L589-I594 HydrophobicContact CB-CG1 3.85Å; L589-I594 HydrophobicContact CD1-CG1 4.38Å; K590-I594 PolarHBondContact O-N 3.48Å; K590-I594 VanDerWaalsContact O-N 3.12Å; Q591-I594 PolarHBondContact O-N 2.66Å; R592-I594 VanDerWaalsContact C-N 3.32Å; R592-I594 PolarHBondContact O-N 2.87Å; I594-D596 VanDerWaalsContact C-N 3.34Å; I594-D596 PolarHBondContact O-N 3.02Å; I594-I597 PolarHBondContact O-N 3.19Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 4.05Å; I594-M598 VanDerWaalsContact O-CG 3.26Å; I594-M598 WeakPolarHBondContact O-CG 3.44Å; I594-M598 PolarHBondContact O-N 2.97Å; I594-Y628 HydrophobicContact CB-CE1 4.42Å; I594-Y628 VanDerWaalsContact CD1-OH 3.29Å; I594-Y628 WeakPolarHBondContact CD1-OH 3.37Å; I594-Y628 HydrophobicContact CG2-CE1 3.95Å; I594-Y628 HydrophobicContact CG2-CE2 4.01Å
595	I	76	Confident	69.5	Low	30 Å²	30	61 Å²	61	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-44	177.8	-67	170.7	0	0	0	110.9	Q591 R592 I597 M598 Q599 I615 Y628	Q591-I595 HydrophobicContact CG-CD1 3.99Å; Q591-I595 WeakPolarHBondContact O-CG1 3.12Å; Q591-I595 PolarHBondContact O-N 3.25Å; R592-I595 PolarHBondContact O-N 3.31Å; I595-I597 PolarHBondContact O-N 3.35Å; I595-M598 PolarHBondContact O-N 3.44Å; I595-Q599 HydrophobicContact CG2-CG 4.33Å; I595-Q599 WeakPolarHBondContact O-CB 3.13Å; I595-Q599 WeakPolarHBondContact O-CG 3.37Å; I595-Q599 PolarHBondContact O-N 3.45Å; I595-I615 HydrophobicContact CG2-CB 4.37Å; I595-Y628 HydrophobicContact CG1-CD1 4.28Å; I595-Y628 HydrophobicContact CG1-CE1 4.11Å
596	D	76.7	Confident	71.1	Confident	60 Å²	60	58.2 Å²	58.2	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-42.9	177.1	-82.7	6.6	0	0	0	111.5	H350 R592 I594 Q599 K600	H350-D596 IonicContact CE1-OD2 3.47Å; H350-D596 IonicContact ND1-OD2 2.66Å; H350-D596 PolarHBondContact ND1-OD2 3.24Å; R592-D596 WeakPolarHBondContact O-CB 3.4Å; R592-D596 PolarHBondContact O-N 3.22Å; I594-D596 VanDerWaalsContact C-N 3.34Å; I594-D596 PolarHBondContact O-N 3.02Å; D596-Q599 PolarHBondContact O-N 3.36Å; D596-K600 WeakPolarHBondContact O-CB 3.34Å; D596-K600 PolarHBondContact O-N 2.81Å
597	I	76.2	Confident	72.7	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-46.8	175.5	-66.2	160.7	0	0	0	110.2	S537 I540 E541 L544 L589 D593 I594 I595 Q599 K600 V601	S537-I597 WeakPolarHBondContact OG-CD1 3.16Å; I540-I597 HydrophobicContact CG2-CG2 4.2Å; E541-I597 HydrophobicContact CB-CG2 4.1Å; E541-I597 HydrophobicContact CG-CG2 4.47Å; L544-I597 HydrophobicContact CD1-CG2 4.01Å; L589-I597 HydrophobicContact CD1-CD1 3.65Å; D593-I597 WeakPolarHBondContact O-CD1 3.48Å; D593-I597 WeakPolarHBondContact O-CG1 3.28Å; D593-I597 PolarHBondContact O-N 2.99Å; I594-I597 PolarHBondContact O-N 3.19Å; I595-I597 PolarHBondContact O-N 3.35Å; I597-Q599 PolarHBondContact O-N 3.25Å; I597-K600 WeakPolarHBondContact O-CB 3.4Å; I597-K600 PolarHBondContact O-N 3.28Å; I597-V601 HydrophobicContact CG2-CG2 4.36Å; I597-V601 VanDerWaalsContact O-CG2 3.32Å; I597-V601 WeakPolarHBondContact O-CG2 3.41Å; I597-V601 PolarHBondContact O-N 2.97Å
598	M	78.3	Confident	73.4	Confident	2 Å²	2	66 Å²	66	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-45.1	179.1	-65.8	176.1	115.7	0	0	111.4	L544 I562 I594 I595 K600 V601 V602 I615 Y628	L544-M598 HydrophobicContact CD1-CG 3.78Å; L544-M598 HydrophobicContact CD2-CE 4.31Å; I562-M598 HydrophobicContact CB-CE 3.77Å; I562-M598 HydrophobicContact CD1-CE 3.28Å; I562-M598 HydrophobicContact CG1-CE 4.06Å; I562-M598 HydrophobicContact CG2-CE 3.94Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 4.05Å; I594-M598 VanDerWaalsContact O-CG 3.26Å; I594-M598 WeakPolarHBondContact O-CG 3.44Å; I594-M598 PolarHBondContact O-N 2.97Å; I595-M598 PolarHBondContact O-N 3.44Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 3.24Å; M598-V601 PolarHBondContact O-N 2.98Å; M598-V602 WeakPolarHBondContact O-CG2 3.29Å; M598-V602 PolarHBondContact O-N 2.85Å; M598-I615 HydrophobicContact CB-CD1 3.47Å; M598-I615 VanDerWaalsContact CB-CD1 3.47Å; M598-I615 HydrophobicContact CB-CG2 4.41Å; M598-I615 HydrophobicContact SD-CG2 3.85Å; M598-Y628 HydrophobicContact CE-CD2 4.45Å; M598-Y628 HydrophobicContact CE-CG 4.09Å; M598-Y628 HydrophobicContact SD-CD1 4Å; M598-Y628 HydrophobicContact SD-CG 3.88Å
599	Q	80.1	Confident	73.7	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-43.2	176.3	-74.5	-179.3	3.6	0	0	111.8	I595 D596 I597 V602 A603 I615	I595-Q599 HydrophobicContact CG2-CG 4.33Å; I595-Q599 WeakPolarHBondContact O-CB 3.13Å; I595-Q599 WeakPolarHBondContact O-CG 3.37Å; I595-Q599 PolarHBondContact O-N 3.45Å; D596-Q599 PolarHBondContact O-N 3.36Å; I597-Q599 PolarHBondContact O-N 3.25Å; Q599-V602 PolarHBondContact O-N 3.1Å; Q599-A603 WeakPolarHBondContact O-CB 3.3Å; Q599-A603 PolarHBondContact O-N 3.3Å; Q599-I615 HydrophobicContact CG-CD1 3.83Å; Q599-I615 HydrophobicContact CG-CG1 4.29Å
600	K	78.2	Confident	74.1	Confident	84 Å²	84	64 Å²	64	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-45.6	175.6	-176.8	-168.5	172.5	-159.3	0	111.5	E541 D596 I597 M598 A603 D604	E541-K600 IonicContact OE1-NZ 3.44Å; E541-K600 PolarHBondContact OE1-NZ 2.91Å; E541-K600 VanDerWaalsContact OE1-NZ 3.09Å; E541-K600 IonicContact OE2-NZ 3.06Å; E541-K600 PolarHBondContact OE2-NZ 3.45Å; D596-K600 WeakPolarHBondContact O-CB 3.34Å; D596-K600 PolarHBondContact O-N 2.81Å; I597-K600 WeakPolarHBondContact O-CB 3.4Å; I597-K600 PolarHBondContact O-N 3.28Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 3.24Å; K600-A603 PolarHBondContact O-N 3.11Å; K600-D604 WeakPolarHBondContact O-CB 3.43Å; K600-D604 PolarHBondContact O-N 2.76Å
601	V	79.6	Confident	74	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44.8	178.9	177.3	0	0	0	0	111.1	E541 L544 K545 F548 I597 M598 A603 D604 L605	E541-V601 HydrophobicContact CB-CG2 4.36Å; E541-V601 HydrophobicContact CG-CG2 3.55Å; L544-V601 HydrophobicContact CB-CB 4.47Å; L544-V601 HydrophobicContact CB-CG1 4.21Å; L544-V601 HydrophobicContact CB-CG2 4.04Å; L544-V601 HydrophobicContact CD1-CG2 4.5Å; K545-V601 HydrophobicContact CB-CG1 4.3Å; K545-V601 HydrophobicContact CG-CB 4.48Å; K545-V601 HydrophobicContact CG-CG1 3.55Å; K545-V601 HydrophobicContact CG-CG2 4.21Å; F548-V601 HydrophobicContact CD2-CB 4.25Å; F548-V601 HydrophobicContact CD2-CG1 3.57Å; F548-V601 HydrophobicContact CE2-CB 4.31Å; F548-V601 HydrophobicContact CE2-CG1 4.09Å; I597-V601 HydrophobicContact CG2-CG2 4.36Å; I597-V601 VanDerWaalsContact O-CG2 3.32Å; I597-V601 WeakPolarHBondContact O-CG2 3.41Å; I597-V601 PolarHBondContact O-N 2.97Å; M598-V601 PolarHBondContact O-N 2.98Å; V601-A603 VanDerWaalsContact C-N 3.29Å; V601-A603 PolarHBondContact O-N 2.83Å; V601-D604 PolarHBondContact O-N 3.1Å; V601-L605 HydrophobicContact CG1-CD1 3.86Å; V601-L605 HydrophobicContact CG1-CG 4.32Å; V601-L605 WeakPolarHBondContact O-CG 3.39Å; V601-L605 PolarHBondContact O-N 3.29Å
602	V	77.5	Confident	74.1	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-41.7	177	176.4	0	0	0	0	110.5	F548 M598 Q599 L605 N606 I609 I615	F548-V602 HydrophobicContact CD2-CG2 4.1Å; F548-V602 HydrophobicContact CE2-CG2 3.77Å; F548-V602 HydrophobicContact CZ-CG2 4.35Å; M598-V602 WeakPolarHBondContact O-CG2 3.29Å; M598-V602 PolarHBondContact O-N 2.85Å; Q599-V602 PolarHBondContact O-N 3.1Å; V602-L605 PolarHBondContact O-N 2.83Å; V602-N606 CarbonylContact O-C 3.47Å; V602-N606 PolarHBondContact O-N 3.38Å; V602-N606 VanDerWaalsContact O-O 3.06Å; V602-I609 HydrophobicContact CG1-CG2 4.29Å; V602-I615 HydrophobicContact CG2-CD1 4.45Å
603	A	76.6	Confident	74.3	Confident	35 Å²	35	50.8 Å²	50.8	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-41	175.1	0	0	0	0	0	113.4	Q599 K600 V601 P607 S610	Q599-A603 WeakPolarHBondContact O-CB 3.3Å; Q599-A603 PolarHBondContact O-N 3.3Å; K600-A603 PolarHBondContact O-N 3.11Å; V601-A603 VanDerWaalsContact C-N 3.29Å; V601-A603 PolarHBondContact O-N 2.83Å; A603-P607 WeakPolarHBondContact O-CA 3.49Å; A603-S610 WeakPolarHBondContact CB-OG 3.39Å
604	D	73.7	Confident	74.5	Confident	89 Å²	89	51.1 Å²	51.1	48%	0.476	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-38.1	178.3	-81.3	3.7	0	0	0	111.9	K545 K600 V601	K545-D604 WeakPolarHBondContact CE-OD2 3.41Å; K545-D604 IonicContact NZ-OD2 3.11Å; K545-D604 PolarHBondContact NZ-OD2 2.59Å; K600-D604 WeakPolarHBondContact O-CB 3.43Å; K600-D604 PolarHBondContact O-N 2.76Å; V601-D604 PolarHBondContact O-N 3.1Å
605	L	76.1	Confident	74.6	Confident	61 Å²	61	50.1 Å²	50.1	32%	0.319	27%	0.265	S	S	.	.	H	α-helix	trans	-78	-46	-179.7	-70.7	173.6	0	0	0	112.4	F548 S549 L552 V601 V602	F548-L605 HydrophobicContact CB-CD1 3.28Å; F548-L605 HydrophobicContact CD2-CD1 4.21Å; F548-L605 HydrophobicContact CG-CD1 4.27Å; S549-L605 WeakPolarHBondContact OG-CD2 3.47Å; L552-L605 HydrophobicContact CD1-CB 4.12Å; L552-L605 HydrophobicContact CD1-CD1 4.08Å; V601-L605 HydrophobicContact CG1-CD1 3.86Å; V601-L605 HydrophobicContact CG1-CG 4.32Å; V601-L605 WeakPolarHBondContact O-CG 3.39Å; V601-L605 PolarHBondContact O-N 3.29Å; V602-L605 PolarHBondContact O-N 2.83Å
606	N	73.2	Confident	74.6	Confident	53 Å²	53	51.8 Å²	51.8	28%	0.283	28%	0.276	S	S	.	.			trans	-148.4	102.1	174.7	-170.2	-27.4	0	0	0	110.8	V602 E608 I609 S610	V602-N606 CarbonylContact O-C 3.47Å; V602-N606 PolarHBondContact O-N 3.38Å; V602-N606 VanDerWaalsContact O-O 3.06Å; N606-E608 PolarHBondContact O-N 2.72Å; N606-E608 WeakPolarHBondContact OD1-CB 3.41Å; N606-E608 PolarHBondContact OD1-N 3.06Å; N606-I609 HydrophobicContact CB-CB 4.06Å; N606-I609 HydrophobicContact CB-CD1 3.91Å; N606-I609 HydrophobicContact CB-CG1 4.07Å; N606-I609 WeakPolarHBondContact ND2-CD1 3.34Å; N606-I609 WeakPolarHBondContact ND2-CG1 3.47Å; N606-I609 PolarHBondContact O-N 2.97Å; N606-I609 PolarHBondContact OD1-N 3.04Å; N606-S610 PolarHBondContact O-N 2.75Å; N606-S610 VanDerWaalsContact O-N 3.1Å
607	P	74.2	Confident	74.2	Confident	88 Å²	88	51.1 Å²	51.1	57%	0.571	27%	0.271	S	S	*	.	H	α-helix	trans	-64.4	-26.3	-178.6	24.8	-33	0	0	0	112.9	A603	A603-P607 WeakPolarHBondContact O-CA 3.49Å
608	E	67.3	Low	73.7	Confident	142 Å²	142	56.4 Å²	56.4	66%	0.664	29%	0.294	S	S	*	.	H	α-helix	trans	-73.6	-38.5	178.2	-62.3	-165.8	163.9	0	0	112.7	N606	N606-E608 PolarHBondContact O-N 2.72Å; N606-E608 WeakPolarHBondContact OD1-CB 3.41Å; N606-E608 PolarHBondContact OD1-N 3.06Å
609	I	69.6	Low	72.4	Confident	47 Å²	47	62.2 Å²	62.2	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-70.7	-37.6	176.3	-67.5	176.2	0	0	0	110.5	L552 V602 N606 D611 E612 V613	L552-I609 HydrophobicContact CD2-CD1 4.14Å; V602-I609 HydrophobicContact CG1-CG2 4.29Å; N606-I609 HydrophobicContact CB-CB 4.06Å; N606-I609 HydrophobicContact CB-CD1 3.91Å; N606-I609 HydrophobicContact CB-CG1 4.07Å; N606-I609 WeakPolarHBondContact ND2-CD1 3.34Å; N606-I609 WeakPolarHBondContact ND2-CG1 3.47Å; N606-I609 PolarHBondContact O-N 2.97Å; N606-I609 PolarHBondContact OD1-N 3.04Å; I609-D611 PolarHBondContact O-N 3.28Å; I609-E612 CarbonylContact O-C 3.57Å; I609-E612 WeakPolarHBondContact O-CA 3.43Å; I609-E612 WeakPolarHBondContact O-CB 3.34Å; I609-E612 PolarHBondContact O-N 3.4Å; I609-V613 HydrophobicContact CG2-CG2 3.69Å; I609-V613 WeakPolarHBondContact O-CB 3.38Å; I609-V613 WeakPolarHBondContact O-CG2 3.44Å; I609-V613 PolarHBondContact O-N 3.45Å
610	S	71	Confident	71.3	Confident	25 Å²	25	61.1 Å²	61.1	18%	0.175	34%	0.342	C	S	.	.	H	α-helix	trans	-56.6	-37.8	179.2	-173.6	0	0	0	0	113.2	A603 N606 E612	A603-S610 WeakPolarHBondContact CB-OG 3.39Å; N606-S610 PolarHBondContact O-N 2.75Å; N606-S610 VanDerWaalsContact O-N 3.1Å; S610-E612 PolarHBondContact O-N 3.41Å
611	D	68.2	Low	69.8	Low	57 Å²	57	62.9 Å²	62.9	31%	0.305	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.7	175.2	-83.5	-16.8	0	0	0	113.1	I609 R644	I609-D611 PolarHBondContact O-N 3.28Å; D611-R644 IonicContact OD1-CZ 3.57Å; D611-R644 IonicContact OD1-NH1 2.69Å; D611-R644 PolarHBondContact OD1-NH1 2.87Å; D611-R644 IonicContact OD2-NH1 2.76Å; D611-R644 PolarHBondContact OD2-NH1 3.38Å
612	E	68.9	Low	67.9	Low	98 Å²	98	71.4 Å²	71.4	46%	0.458	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.8	-177.2	-69.1	-167.9	164.4	0	0	114.4	I609 S610 G633 K641	I609-E612 CarbonylContact O-C 3.57Å; I609-E612 WeakPolarHBondContact O-CA 3.43Å; I609-E612 WeakPolarHBondContact O-CB 3.34Å; I609-E612 PolarHBondContact O-N 3.4Å; S610-E612 PolarHBondContact O-N 3.41Å; E612-G633 WeakPolarHBondContact O-CA 3.21Å; E612-G633 PolarHBondContact O-N 3.37Å; E612-K641 VanDerWaalsContact CD-NZ 3.28Å; E612-K641 HydrophobicContact CG-CD 4Å; E612-K641 IonicContact OE1-NZ 2.59Å; E612-K641 PolarHBondContact OE1-NZ 3.03Å
613	V	73.7	Confident	66.4	Low	21 Å²	21	74 Å²	74	13%	0.127	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	-165.6	166.4	0	0	0	0	111.8	I609 I630 M631 K637	I609-V613 HydrophobicContact CG2-CG2 3.69Å; I609-V613 WeakPolarHBondContact O-CB 3.38Å; I609-V613 WeakPolarHBondContact O-CG2 3.44Å; I609-V613 PolarHBondContact O-N 3.45Å; V613-I630 HydrophobicContact CB-CG2 4.48Å; V613-I630 HydrophobicContact CG1-CB 4.35Å; V613-I630 HydrophobicContact CG1-CG2 3.11Å; V613-M631 CarbonylContact C-O 3.54Å; V613-M631 VanDerWaalsContact CA-O 3.29Å; V613-M631 WeakPolarHBondContact CA-O 3.3Å; V613-M631 WeakPolarHBondContact CG1-O 3.42Å; V613-K637 PolarHBondContact O-NZ 2.99Å
614	D	75.5	Confident	65.3	Low	54 Å²	54	74.2 Å²	74.2	29%	0.289	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.8	171.9	-77.3	-37.4	0	0	0	111.8	M631 G633 G634 K637	D614-M631 PolarHBondContact N-O 3.21Å; D614-M631 PolarHBondContact O-N 3.16Å; D614-G633 WeakPolarHBondContact OD2-CA 3.25Å; D614-G634 PolarHBondContact OD2-N 3.42Å; D614-K637 VanDerWaalsContact OD1-CD 3.28Å; D614-K637 WeakPolarHBondContact OD1-CD 3.36Å; D614-K637 WeakPolarHBondContact OD1-CE 3.42Å; D614-K637 IonicContact OD1-NZ 2.7Å; D614-K637 PolarHBondContact OD1-NZ 3.12Å
615	I	76.2	Confident	64.3	Low	15 Å²	15	73.4 Å²	73.4	8%	0.077	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.3	178	-52.7	-172.6	0	0	0	108.2	I595 M598 Q599 V602 Y629 I630	I595-I615 HydrophobicContact CG2-CB 4.37Å; M598-I615 HydrophobicContact CB-CD1 3.47Å; M598-I615 VanDerWaalsContact CB-CD1 3.47Å; M598-I615 HydrophobicContact CB-CG2 4.41Å; M598-I615 HydrophobicContact SD-CG2 3.85Å; Q599-I615 HydrophobicContact CG-CD1 3.83Å; Q599-I615 HydrophobicContact CG-CG1 4.29Å; V602-I615 HydrophobicContact CG2-CD1 4.45Å; I615-Y629 WeakPolarHBondContact CA-O 3.48Å; I615-I630 HydrophobicContact CG1-CG1 4.39Å
616	V	75.5	Confident	63.8	Low	64 Å²	64	71.9 Å²	71.9	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	-174.8	-175.5	0	0	0	0	109.8	Y629	V616-Y629 PolarHBondContact N-O 2.85Å; V616-Y629 PolarHBondContact O-N 3.5Å
617	E	68.8	Low	63.7	Low	46 Å²	46	70 Å²	70	22%	0.215	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.5	171	-171.5	-177.5	-162	0	0	110.7	Q591 P619 A627 Y628	Q591-E617 WeakPolarHBondContact CG-OE2 3.39Å; Q591-E617 PolarHBondContact NE2-OE2 2.94Å; E617-P619 WeakPolarHBondContact O-CD 3.43Å; E617-A627 WeakPolarHBondContact CA-O 3.48Å; E617-Y628 HydrophobicContact CB-CD1 3.89Å; E617-Y628 HydrophobicContact CB-CE1 3.84Å; E617-Y628 HydrophobicContact CG-CD1 4.18Å; E617-Y628 HydrophobicContact CG-CE1 3.92Å
618	K	64.9	Low	63.9	Low	117 Å²	117	66.2 Å²	66.2	51%	0.509	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.3	169.7	178.9	-179	179.7	-173.6	0	110.5	G620 A627 Y629	K618-G620 PolarHBondContact O-N 2.86Å; K618-A627 PolarHBondContact N-O 2.59Å; K618-Y629 HydrophobicContact CB-CD2 4.07Å; K618-Y629 HydrophobicContact CB-CE2 3.43Å; K618-Y629 VanDerWaalsContact CB-CE2 3.43Å; K618-Y629 HydrophobicContact CD-CE2 3.9Å; K618-Y629 WeakPolarHBondContact CD-OH 3.47Å; K618-Y629 HydrophobicContact CG-CE2 4.29Å
619	P	52.4	Low	64.2	Low	124 Å²	124	62.2 Å²	62.2	81%	0.805	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-70.5	121.6	170.3	27.5	-30.8	0	0	0	109.6	E617	E617-P619 WeakPolarHBondContact O-CD 3.43Å
620	G	56.2	Low	64.4	Low	57 Å²	57	60.8 Å²	60.8	59%	0.588	36%	0.357	S	S	*	.			trans	152.3	80.2	179.5	0	0	0	0	0	112.3	K618 Q622	K618-G620 PolarHBondContact O-N 2.86Å; G620-Q622 PolarHBondContact O-N 2.99Å
621	N	45.9	Very low	64.5	Low	121 Å²	121	62.8 Å²	62.8	65%	0.647	36%	0.364	S	S	*	.			trans	-73.7	88.7	178.2	-77.5	-19.9	0	0	0	110.8	G623 L625	N621-G623 PolarHBondContact O-N 2.85Å; N621-L625 PolarHBondContact OD1-O 3.27Å
622	Q	39.7	Very low	64.5	Low	178 Å²	178	63.9 Å²	63.9	83%	0.832	38%	0.375	S	S	*	.	S	Bend	trans	-78.6	107.4	156.2	-71.4	-173.4	-24.8	0	0	107.7	G620 G624	G620-Q622 PolarHBondContact O-N 2.99Å; Q622-G624 PolarHBondContact O-N 2.77Å
623	G	47.3	Very low	64.3	Low	63 Å²	63	59.4 Å²	59.4	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	19	171	0	0	0	0	0	117.3	N621	N621-G623 PolarHBondContact O-N 2.85Å
624	G	53.1	Low	63.9	Low	38 Å²	38	60.2 Å²	60.2	39%	0.392	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	22.4	176.4	0	0	0	0	0	115.2	N566 Q622	N566-G624 PolarHBondContact N-O 3.42Å; Q622-G624 PolarHBondContact O-N 2.77Å
625	L	53.5	Low	63.3	Low	72 Å²	72	64.8 Å²	64.8	38%	0.377	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.5	173.9	-71.4	152.6	0	0	0	109.9	N621	N621-L625 PolarHBondContact OD1-O 3.27Å
626	S	65.3	Low	62.7	Low	29 Å²	29	70.4 Å²	70.4	20%	0.203	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.6	169.3	51.1	0	0	0	0	110	Q563 G564	Q563-S626 CarbonylContact C-O 3.55Å; Q563-S626 WeakPolarHBondContact CA-O 3.32Å; G564-S626 PolarHBondContact N-O 3.43Å; G564-S626 PolarHBondContact O-N 3.3Å; G564-S626 PolarHBondContact O-OG 3.47Å
627	A	71.3	Confident	62.1	Low	14 Å²	14	69.3 Å²	69.3	12%	0.116	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.4	-178.6	0	0	0	0	0	111.5	I562 Q563 E617 K618 Y629	I562-A627 WeakPolarHBondContact O-CA 3.45Å; Q563-A627 HydrophobicContact CG-CB 4.24Å; E617-A627 WeakPolarHBondContact CA-O 3.48Å; K618-A627 PolarHBondContact N-O 2.59Å; A627-Y629 HydrophobicContact CB-CE2 4.28Å
628	Y	77.7	Confident	62	Low	9 Å²	9	73.6 Å²	73.6	4%	0.035	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.7	179	-62.1	-92.1	0	0	0	110.2	V561 I562 I594 I595 M598 E617	V561-Y628 WeakPolarHBondContact CA-O 3.29Å; I562-Y628 PolarHBondContact N-O 3.3Å; I562-Y628 PolarHBondContact O-N 2.81Å; I594-Y628 HydrophobicContact CB-CE1 4.42Å; I594-Y628 VanDerWaalsContact CD1-OH 3.29Å; I594-Y628 WeakPolarHBondContact CD1-OH 3.37Å; I594-Y628 HydrophobicContact CG2-CE1 3.95Å; I594-Y628 HydrophobicContact CG2-CE2 4.01Å; I595-Y628 HydrophobicContact CG1-CD1 4.28Å; I595-Y628 HydrophobicContact CG1-CE1 4.11Å; M598-Y628 HydrophobicContact CE-CD2 4.45Å; M598-Y628 HydrophobicContact CE-CG 4.09Å; M598-Y628 HydrophobicContact SD-CD1 4Å; M598-Y628 HydrophobicContact SD-CG 3.88Å; E617-Y628 HydrophobicContact CB-CD1 3.89Å; E617-Y628 HydrophobicContact CB-CE1 3.84Å; E617-Y628 HydrophobicContact CG-CD1 4.18Å; E617-Y628 HydrophobicContact CG-CE1 3.92Å
629	Y	73.8	Confident	61.9	Low	57 Å²	57	70.7 Å²	70.7	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.8	-179.5	-66.2	-95.9	0	0	0	110	V561 I615 V616 K618 A627 M631	V561-Y629 HydrophobicContact CB-CE1 4.48Å; V561-Y629 HydrophobicContact CG1-CE1 4.19Å; V561-Y629 HydrophobicContact CG2-CD1 3.7Å; V561-Y629 HydrophobicContact CG2-CE1 3.52Å; I615-Y629 WeakPolarHBondContact CA-O 3.48Å; V616-Y629 PolarHBondContact N-O 2.85Å; V616-Y629 PolarHBondContact O-N 3.5Å; K618-Y629 HydrophobicContact CB-CD2 4.07Å; K618-Y629 HydrophobicContact CB-CE2 3.43Å; K618-Y629 VanDerWaalsContact CB-CE2 3.43Å; K618-Y629 HydrophobicContact CD-CE2 3.9Å; K618-Y629 WeakPolarHBondContact CD-OH 3.47Å; K618-Y629 HydrophobicContact CG-CE2 4.29Å; A627-Y629 HydrophobicContact CB-CE2 4.28Å; Y629-M631 HydrophobicContact CD1-CE 4.12Å; Y629-M631 HydrophobicContact CG-CE 3.76Å
630	I	74.6	Confident	62.6	Low	17 Å²	17	68.4 Å²	68.4	9%	0.087	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111	170.4	-58	-173.4	0	0	0	106.7	F548 V560 I562 V613 I615	F548-I630 HydrophobicContact CD1-CD1 4.31Å; F548-I630 HydrophobicContact CE1-CD1 3.23Å; F548-I630 HydrophobicContact CE2-CD1 4.25Å; F548-I630 HydrophobicContact CZ-CD1 3.23Å; V560-I630 HydrophobicContact CB-CB 4.1Å; V560-I630 HydrophobicContact CB-CD1 4.18Å; V560-I630 HydrophobicContact CB-CG1 4.36Å; V560-I630 HydrophobicContact CG1-CD1 4.48Å; V560-I630 PolarHBondContact O-N 3Å; I562-I630 HydrophobicContact CD1-CD1 4.38Å; V613-I630 HydrophobicContact CB-CG2 4.48Å; V613-I630 HydrophobicContact CG1-CB 4.35Å; V613-I630 HydrophobicContact CG1-CG2 3.11Å; I615-I630 HydrophobicContact CG1-CG1 4.39Å
631	M	71.3	Confident	63	Low	67 Å²	67	67.4 Å²	67.4	33%	0.33	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.2	-174.6	-55.4	-165.3	-157.9	0	0	110.8	F559 V613 D614 Y629 G633	F559-M631 HydrophobicContact CD1-CB 4.46Å; F559-M631 HydrophobicContact CD1-CG 4.03Å; F559-M631 HydrophobicContact CE1-CB 4.18Å; F559-M631 HydrophobicContact CE1-CG 3.98Å; F559-M631 HydrophobicContact CE1-SD 4.3Å; V613-M631 CarbonylContact C-O 3.54Å; V613-M631 VanDerWaalsContact CA-O 3.29Å; V613-M631 WeakPolarHBondContact CA-O 3.3Å; V613-M631 WeakPolarHBondContact CG1-O 3.42Å; D614-M631 PolarHBondContact N-O 3.21Å; D614-M631 PolarHBondContact O-N 3.16Å; Y629-M631 HydrophobicContact CD1-CE 4.12Å; Y629-M631 HydrophobicContact CG-CE 3.76Å; M631-G633 PolarHBondContact O-N 2.91Å
632	P	68.6	Low	64.1	Low	80 Å²	80	67 Å²	67	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	129.3	168	-20.8	30.6	0	0	0	110.5
633	G	64.6	Low	65.3	Low	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.322	C	S	.	.			trans	-60.2	139.6	-179.2	0	0	0	0	0	111.3	E612 D614 M631	E612-G633 WeakPolarHBondContact O-CA 3.21Å; E612-G633 PolarHBondContact O-N 3.37Å; D614-G633 WeakPolarHBondContact OD2-CA 3.25Å; M631-G633 PolarHBondContact O-N 2.91Å
634	G	66.8	Low	66.2	Low	37 Å²	37	62.2 Å²	62.2	38%	0.381	31%	0.309	S	S	.	.			trans	-63.4	179.5	-178.4	0	0	0	0	0	113.8	D614 R636 K637 K638	D614-G634 PolarHBondContact OD2-N 3.42Å; G634-R636 PolarHBondContact O-N 2.93Å; G634-K637 PolarHBondContact O-N 3Å; G634-K638 PolarHBondContact O-N 3.33Å
635	H	62.4	Low	66.9	Low	150 Å²	150	65.8 Å²	65.8	69%	0.694	31%	0.314	S	S	*	.	H	α-helix	trans	-50.1	-35.8	178.2	-88.9	-84.3	0	0	0	113.5	K638 E639	H635-K638 PolarHBondContact O-N 3.49Å; H635-E639 PolarHBondContact O-N 3.19Å
636	R	62.1	Low	67.2	Low	133 Å²	133	64.4 Å²	64.4	50%	0.502	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-46.2	176.4	-178.9	179.1	170.6	167.3	-1.4	112.9	D39 G634 E639 E640	D39-R636 IonicContact OD2-NH1 2.75Å; G634-R636 PolarHBondContact O-N 2.93Å; R636-E639 PolarHBondContact O-N 3.4Å; R636-E640 IonicContact CZ-OE1 2.83Å; R636-E640 IonicContact NE-OE1 3.87Å; R636-E640 PolarHBondContact NE-OE1 3.13Å; R636-E640 IonicContact NH2-OE1 3.62Å; R636-E640 WeakPolarHBondContact O-CG 3.32Å; R636-E640 PolarHBondContact O-N 3.28Å
637	K	64.7	Low	67.1	Low	41 Å²	41	66.1 Å²	66.1	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-67.8	-39.3	177.4	-96.5	-173	171.3	164.5	0	111.8	V613 D614 G634 E639 E640 K641	V613-K637 PolarHBondContact O-NZ 2.99Å; D614-K637 VanDerWaalsContact OD1-CD 3.28Å; D614-K637 WeakPolarHBondContact OD1-CD 3.36Å; D614-K637 WeakPolarHBondContact OD1-CE 3.42Å; D614-K637 IonicContact OD1-NZ 2.7Å; D614-K637 PolarHBondContact OD1-NZ 3.12Å; G634-K637 PolarHBondContact O-N 3Å; K637-E639 VanDerWaalsContact C-N 3.29Å; K637-E639 PolarHBondContact O-N 2.95Å; K637-E640 PolarHBondContact O-N 3.01Å; K637-K641 WeakPolarHBondContact O-CB 3.43Å; K637-K641 PolarHBondContact O-N 2.9Å
638	K	65.3	Low	66.6	Low	136 Å²	136	72 Å²	72	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-58.4	-41.9	172.6	-67.1	-177.7	-179.8	178.7	0	111.5	G634 H635 R642	G634-K638 PolarHBondContact O-N 3.33Å; H635-K638 PolarHBondContact O-N 3.49Å; K638-R642 WeakPolarHBondContact O-CB 3.35Å; K638-R642 PolarHBondContact O-N 3.29Å
639	E	64	Low	66.1	Low	56 Å²	56	77.2 Å²	77.2	26%	0.262	37%	0.365	S	S	.	.	H	α-helix	trans	-72.2	-41.3	175.7	-75.2	-56	169.1	0	0	113.5	H635 R636 K637 K641 R642 V643	H635-E639 PolarHBondContact O-N 3.19Å; R636-E639 PolarHBondContact O-N 3.4Å; K637-E639 VanDerWaalsContact C-N 3.29Å; K637-E639 PolarHBondContact O-N 2.95Å; E639-K641 VanDerWaalsContact C-N 3.27Å; E639-K641 PolarHBondContact O-N 2.66Å; E639-R642 PolarHBondContact O-N 2.93Å; E639-R642 IonicContact OE1-NE 3.62Å; E639-R642 IonicContact OE1-NH2 3.71Å; E639-R642 IonicContact OE2-CZ 2.74Å; E639-R642 IonicContact OE2-NE 3.69Å; E639-R642 PolarHBondContact OE2-NE 2.91Å; E639-R642 IonicContact OE2-NH2 3.79Å; E639-R642 PolarHBondContact OE2-NH2 3.28Å; E639-V643 WeakPolarHBondContact O-CB 3.43Å; E639-V643 VanDerWaalsContact O-CG2 3.23Å; E639-V643 WeakPolarHBondContact O-CG2 3.48Å; E639-V643 PolarHBondContact O-N 3.3Å
640	E	67.2	Low	65.7	Low	76 Å²	76	81.3 Å²	81.3	36%	0.355	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-39.9	173.4	-74	177.9	-166.9	0	0	111.3	R636 K637 R644	R636-E640 IonicContact CZ-OE1 2.83Å; R636-E640 IonicContact NE-OE1 3.87Å; R636-E640 PolarHBondContact NE-OE1 3.13Å; R636-E640 IonicContact NH2-OE1 3.62Å; R636-E640 WeakPolarHBondContact O-CG 3.32Å; R636-E640 PolarHBondContact O-N 3.28Å; K637-E640 PolarHBondContact O-N 3.01Å; E640-R644 WeakPolarHBondContact O-CB 3.33Å; E640-R644 WeakPolarHBondContact O-CG 3.29Å; E640-R644 PolarHBondContact O-N 3.45Å
641	K	64.8	Low	64.6	Low	36 Å²	36	87 Å²	87	16%	0.157	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-45.7	172.6	-176.2	171.9	-175.5	162.8	0	111.9	E612 K637 E639 V643 R644 K645	E612-K641 VanDerWaalsContact CD-NZ 3.28Å; E612-K641 HydrophobicContact CG-CD 4Å; E612-K641 IonicContact OE1-NZ 2.59Å; E612-K641 PolarHBondContact OE1-NZ 3.03Å; K637-K641 WeakPolarHBondContact O-CB 3.43Å; K637-K641 PolarHBondContact O-N 2.9Å; E639-K641 VanDerWaalsContact C-N 3.27Å; E639-K641 PolarHBondContact O-N 2.66Å; K641-V643 VanDerWaalsContact C-N 3.34Å; K641-V643 PolarHBondContact O-N 3.37Å; K641-R644 PolarHBondContact O-N 3Å; K641-K645 WeakPolarHBondContact O-CB 3.24Å; K641-K645 PolarHBondContact O-N 2.87Å
642	R	67.5	Low	63.2	Low	113 Å²	113	90 Å²	90	43%	0.426	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-45.2	177.3	-167.4	178.7	70.7	113.9	-1.7	110.8	K638 E639 K645 L646	K638-R642 WeakPolarHBondContact O-CB 3.35Å; K638-R642 PolarHBondContact O-N 3.29Å; E639-R642 PolarHBondContact O-N 2.93Å; E639-R642 IonicContact OE1-NE 3.62Å; E639-R642 IonicContact OE1-NH2 3.71Å; E639-R642 IonicContact OE2-CZ 2.74Å; E639-R642 IonicContact OE2-NE 3.69Å; E639-R642 PolarHBondContact OE2-NE 2.91Å; E639-R642 IonicContact OE2-NH2 3.79Å; E639-R642 PolarHBondContact OE2-NH2 3.28Å; R642-K645 PolarHBondContact O-N 2.95Å; R642-L646 HydrophobicContact CG-CD1 4.15Å; R642-L646 WeakPolarHBondContact O-CB 3.48Å; R642-L646 WeakPolarHBondContact O-CG 3.24Å; R642-L646 PolarHBondContact O-N 3.47Å
643	V	66.3	Low	61.8	Low	38 Å²	38	89.4 Å²	89.4	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-45.4	175.8	171.3	0	0	0	0	110.9	E639 K641 L646 E647 F654	E639-V643 WeakPolarHBondContact O-CB 3.43Å; E639-V643 VanDerWaalsContact O-CG2 3.23Å; E639-V643 WeakPolarHBondContact O-CG2 3.48Å; E639-V643 PolarHBondContact O-N 3.3Å; K641-V643 VanDerWaalsContact C-N 3.34Å; K641-V643 PolarHBondContact O-N 3.37Å; V643-L646 PolarHBondContact O-N 3.2Å; V643-E647 HydrophobicContact CG1-CG 4.46Å; V643-E647 WeakPolarHBondContact O-CB 3.48Å; V643-E647 WeakPolarHBondContact O-CG 3.26Å; V643-E647 PolarHBondContact O-N 3.1Å; V643-F654 HydrophobicContact CG1-CD2 4.15Å; V643-F654 HydrophobicContact CG2-CD2 4.18Å; V643-F654 HydrophobicContact CG2-CE2 4.46Å
644	R	64.9	Low	60.7	Low	102 Å²	102	95.3 Å²	95.3	39%	0.385	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.3	-77.6	-175.1	-156.7	162.8	9.3	113.3	D611 E640 K641 L646 E647 Q648	D611-R644 IonicContact OD1-CZ 3.57Å; D611-R644 IonicContact OD1-NH1 2.69Å; D611-R644 PolarHBondContact OD1-NH1 2.87Å; D611-R644 IonicContact OD2-NH1 2.76Å; D611-R644 PolarHBondContact OD2-NH1 3.38Å; E640-R644 WeakPolarHBondContact O-CB 3.33Å; E640-R644 WeakPolarHBondContact O-CG 3.29Å; E640-R644 PolarHBondContact O-N 3.45Å; K641-R644 PolarHBondContact O-N 3Å; R644-L646 VanDerWaalsContact C-N 3.33Å; R644-E647 CarbonylContact O-C 3.55Å; R644-E647 WeakPolarHBondContact O-CB 3.41Å; R644-E647 PolarHBondContact O-N 3.4Å; R644-Q648 WeakPolarHBondContact O-CB 3.2Å; R644-Q648 WeakPolarHBondContact O-CG 3.5Å; R644-Q648 PolarHBondContact O-N 2.9Å
645	K	67.4	Low	59.3	Low	113 Å²	113	103.6 Å²	103.6	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-39.8	174.9	-79.8	-173.3	174	-173.7	0	111.2	K641 R642 Q648 N649	K641-K645 WeakPolarHBondContact O-CB 3.24Å; K641-K645 PolarHBondContact O-N 2.87Å; R642-K645 PolarHBondContact O-N 2.95Å; K645-Q648 PolarHBondContact O-N 3.05Å; K645-N649 VanDerWaalsContact O-CB 3.26Å; K645-N649 WeakPolarHBondContact O-CB 3.26Å; K645-N649 VanDerWaalsContact O-CG 3.27Å; K645-N649 PolarHBondContact O-N 3.43Å
646	L	60.7	Low	59.1	Low	44 Å²	44	101.3 Å²	101.3	23%	0.23	46%	0.455	C	S	.	.	H	α-helix	trans	-65.4	-39.9	172.9	-69.6	169.8	0	0	0	111.6	R642 V643 R644 Y650 F654	R642-L646 HydrophobicContact CG-CD1 4.15Å; R642-L646 WeakPolarHBondContact O-CB 3.48Å; R642-L646 WeakPolarHBondContact O-CG 3.24Å; R642-L646 PolarHBondContact O-N 3.47Å; V643-L646 PolarHBondContact O-N 3.2Å; R644-L646 VanDerWaalsContact C-N 3.33Å; L646-Y650 HydrophobicContact CD2-CD2 3.89Å; L646-Y650 HydrophobicContact CD2-CE2 3.95Å; L646-Y650 WeakPolarHBondContact O-CA 3.41Å; L646-Y650 WeakPolarHBondContact O-CB 3.09Å; L646-Y650 PolarHBondContact O-N 3.41Å; L646-F654 HydrophobicContact CD1-CE2 4.01Å; L646-F654 HydrophobicContact CD1-CZ 4.4Å
647	E	62.5	Low	59	Low	64 Å²	64	99.6 Å²	99.6	30%	0.299	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-40.9	173.1	-80.4	176.8	176.3	0	0	112.3	V643 R644 H651 F652	V643-E647 HydrophobicContact CG1-CG 4.46Å; V643-E647 WeakPolarHBondContact O-CB 3.48Å; V643-E647 WeakPolarHBondContact O-CG 3.26Å; V643-E647 PolarHBondContact O-N 3.1Å; R644-E647 CarbonylContact O-C 3.55Å; R644-E647 WeakPolarHBondContact O-CB 3.41Å; R644-E647 PolarHBondContact O-N 3.4Å; E647-H651 WeakPolarHBondContact O-CA 3.35Å; E647-H651 PolarHBondContact O-N 3.44Å; E647-F652 WeakPolarHBondContact CA-O 3.49Å; E647-F652 WeakPolarHBondContact CG-O 3.33Å
648	Q	61.7	Low	58.6	Low	139 Å²	139	102.8 Å²	102.8	65%	0.65	47%	0.468	S	S	*	.	H	α-helix	trans	-73	-49.4	179.8	-76.8	174	-14.4	0	0	111.9	R644 K645	R644-Q648 WeakPolarHBondContact O-CB 3.2Å; R644-Q648 WeakPolarHBondContact O-CG 3.5Å; R644-Q648 PolarHBondContact O-N 2.9Å; K645-Q648 PolarHBondContact O-N 3.05Å
649	N	67.2	Low	58.2	Low	117 Å²	117	100.9 Å²	100.9	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-76.1	-30.3	-173.9	-68.8	-1.4	0	0	0	112.7	K645	K645-N649 VanDerWaalsContact O-CB 3.26Å; K645-N649 WeakPolarHBondContact O-CB 3.26Å; K645-N649 VanDerWaalsContact O-CG 3.27Å; K645-N649 PolarHBondContact O-N 3.43Å
650	Y	64.5	Low	57.9	Low	143 Å²	143	103.7 Å²	103.7	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-128.6	0.6	-171.1	-58.6	-79.6	0	0	0	114.2	L646 F652	L646-Y650 HydrophobicContact CD2-CD2 3.89Å; L646-Y650 HydrophobicContact CD2-CE2 3.95Å; L646-Y650 WeakPolarHBondContact O-CA 3.41Å; L646-Y650 WeakPolarHBondContact O-CB 3.09Å; L646-Y650 PolarHBondContact O-N 3.41Å; Y650-F652 HydrophobicContact CD1-CE2 4.45Å; Y650-F652 HydrophobicContact CG-CD2 4.09Å; Y650-F652 HydrophobicContact CG-CE2 4.15Å; Y650-F652 PolarHBondContact O-N 3.36Å; Y650-F652 VanDerWaalsContact O-N 3.1Å
651	H	52.8	Low	57.3	Low	137 Å²	137	105.5 Å²	105.5	63%	0.634	48%	0.481	S	S	*	.			trans	54.3	28.1	-177.2	-55.3	-51.3	0	0	0	114.5	E647	E647-H651 WeakPolarHBondContact O-CA 3.35Å; E647-H651 PolarHBondContact O-N 3.44Å
652	F	41.3	Very low	56.7	Low	129 Å²	129	110.5 Å²	110.5	57%	0.566	50%	0.504	S	S	*	.			trans	-88.9	131	176.1	-76.7	-61.7	0	0	0	111.3	E647 Y650	E647-F652 WeakPolarHBondContact CA-O 3.49Å; E647-F652 WeakPolarHBondContact CG-O 3.33Å; Y650-F652 HydrophobicContact CD1-CE2 4.45Å; Y650-F652 HydrophobicContact CG-CD2 4.09Å; Y650-F652 HydrophobicContact CG-CE2 4.15Å; Y650-F652 PolarHBondContact O-N 3.36Å; Y650-F652 VanDerWaalsContact O-N 3.1Å
653	T	40.2	Very low	55.9	Low	69 Å²	69	110.3 Å²	110.3	42%	0.423	51%	0.51	S	S	.	.			trans	-110.4	127.4	167.7	48.2	0	0	0	0	109.8
654	F	40.1	Very low	55	Low	129 Å²	129	116.3 Å²	116.3	57%	0.566	53%	0.534	S	S	*	.			trans	-76.9	137.5	170	-73.9	-88.7	0	0	0	110	V643 L646	V643-F654 HydrophobicContact CG1-CD2 4.15Å; V643-F654 HydrophobicContact CG2-CD2 4.18Å; V643-F654 HydrophobicContact CG2-CE2 4.46Å; L646-F654 HydrophobicContact CD1-CE2 4.01Å; L646-F654 HydrophobicContact CD1-CZ 4.4Å
655	H	37.2	Very low	54.1	Low	210 Å²	210	117.6 Å²	117.6	97%	0.972	55%	0.547	S	S	*	.			trans	-77	0	178.3	-89.7	-58.9	0	0	0	112.7

Retrieved 655 of 655 residues in 786 ms (Link to these results)

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